smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc(NN=C2C=CC(=O)C(C=C3C(=O)NN(c4ccc(Br)cc4)C3=O)=C2)cc1 ZINC000105201317 1069714778 /nfs/dbraw/zinc/71/47/78/1069714778.db2.gz ALQQLUVFQVXWIM-OYORUQGHSA-N 0 1 507.344 5.430 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CC(C)C)C(=O)Nc3ccc4nc(CC(C)C)[nH]c4c3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409414766 1069811672 /nfs/dbraw/zinc/81/16/72/1069811672.db2.gz OCPBZMNGFBHXLX-DLFZDVPBSA-N 0 1 669.823 6.403 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)Nc3ccc4nc(C(C)C)[nH]c4c3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409414875 1069812157 /nfs/dbraw/zinc/81/21/57/1069812157.db2.gz QDTTXGCXZGCQJL-VIZCGCQYSA-N 0 1 655.796 6.328 50 0 KKAAMN CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(=C(O)c1ccc3c(c1)OCO3)[C@]21C(=O)Nc2ccccc21 ZINC000524732282 1069836485 /nfs/dbraw/zinc/83/64/85/1069836485.db2.gz FPLRWFVCYHKRFR-UUQNIDNHSA-N 0 1 560.631 5.723 50 0 KKAAMN O=C(Cc1ccc2c(c1)OCO2)N1CCCC[C@@H]1CCOc1cccc(CN2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000102469986 1069858724 /nfs/dbraw/zinc/85/87/24/1069858724.db2.gz TUYRNODSKLRTHV-MUUNZHRXSA-N 0 1 576.137 5.784 50 0 KKAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc2nc(CC(C)C)[nH]c2c1 ZINC000409413426 1070927868 /nfs/dbraw/zinc/92/78/68/1070927868.db2.gz LRVIMHVVRUDHAZ-GCBXOWIRSA-N 0 1 669.823 6.403 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)Nc3ccc4nc(CC(C)C)[nH]c4c3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409413875 1070928554 /nfs/dbraw/zinc/92/85/54/1070928554.db2.gz VETIXJCJHRMEPI-UHSQPCAPSA-N 0 1 687.863 6.110 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CCSC)C(=O)Nc3ccc4nc(C)[nH]c4c3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409413901 1070928754 /nfs/dbraw/zinc/92/87/54/1070928754.db2.gz GCNPVQNSQCCGSM-SHQCIBLASA-N 0 1 645.782 5.220 50 0 KKAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c(CCC2CCCC2)n1 ZINC000888089001 1071057604 /nfs/dbraw/zinc/05/76/04/1071057604.db2.gz BVMLCXLUJCAZQK-CBIWSTFNSA-N 0 1 660.816 5.569 50 0 KKAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(CCC2CCCC2)n[nH]1 ZINC000888089001 1071057615 /nfs/dbraw/zinc/05/76/15/1071057615.db2.gz BVMLCXLUJCAZQK-CBIWSTFNSA-N 0 1 660.816 5.569 50 0 KKAAMN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(-c2ccccc2)n[nH]1 ZINC000888089414 1071060485 /nfs/dbraw/zinc/06/04/85/1071060485.db2.gz AUPVMVUPRQOWCR-JDFKUVRLSA-N 0 1 640.741 5.113 50 0 KKAAMN COc1cccc(/C=C\C(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccc(Br)cc3)c2)c1 ZINC000102994316 1071081649 /nfs/dbraw/zinc/08/16/49/1071081649.db2.gz MQPGSQCMHHABQR-XGICHPGQSA-N 0 1 521.820 5.564 50 0 KKAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2ccc(OC)c(OCCc3ccc4c(c3)CCO4)c2)cc1OC ZINC000263584737 1071122761 /nfs/dbraw/zinc/12/27/61/1071122761.db2.gz AAPMXCPHQXRDFG-DEOSSOPVSA-N 0 1 636.653 6.189 50 0 KKAAMN O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000575442948 1071124871 /nfs/dbraw/zinc/12/48/71/1071124871.db2.gz KTJIRLNWBKBSJE-UHFFFAOYSA-N 0 1 526.105 6.877 50 0 KKAAMN CCOC(=O)[C@@H]1CCCN(c2nc3cc(OC)c(OC)cc3cc2CNCc2ccccc2C(F)(F)F)C1 ZINC000299768099 1071128054 /nfs/dbraw/zinc/12/80/54/1071128054.db2.gz GBFMPNJKHKJGIU-LJQANCHMSA-N 0 1 531.575 5.340 50 0 KKAAMN O=[P@@](/C=C(/Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000032690976 1071193403 /nfs/dbraw/zinc/19/34/03/1071193403.db2.gz JMNZZBVBIBPPRJ-LKZLBIQXSA-N 0 1 506.369 9.644 50 0 KKAAMN COc1ccc(CNCc2cc3ccc(F)cc3nc2N2CCN(c3cccc(Cl)c3)CC2)cc1OC ZINC000011912580 1071233744 /nfs/dbraw/zinc/23/37/44/1071233744.db2.gz SSBNEPKQVAHWOA-UHFFFAOYSA-N 0 1 521.036 5.661 50 0 KKAAMN COc1cc(C(=O)N2CCC(Oc3cccc(CN(C)Cc4ccsc4)c3)CC2)cc(OC)c1OC ZINC000012201286 1071238629 /nfs/dbraw/zinc/23/86/29/1071238629.db2.gz QHFMCPGZJOVNPR-UHFFFAOYSA-N 0 1 510.656 5.090 50 0 KKAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(-c2nc3cccnc3s2)cc1C ZINC000585151764 1071296201 /nfs/dbraw/zinc/29/62/01/1071296201.db2.gz AKROSWDOSGUNMT-UHFFFAOYSA-N 0 1 504.431 5.629 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3cc(O)ccc3C)C2=O)c1 ZINC000102931037 1071325339 /nfs/dbraw/zinc/32/53/39/1071325339.db2.gz AFDAOVAADYAAAY-XIEYBQDHSA-N 0 1 555.612 5.150 50 0 KKAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=O)/C=C\c2ccc(C)o2)cc1 ZINC000035074217 1072825571 /nfs/dbraw/zinc/82/55/71/1072825571.db2.gz ZSCSEJLKFHZTEP-QBFSEMIESA-N 0 1 505.390 5.202 50 0 KKAAMN O=P(/C=C(/Cl)c1ccccc1)(/C=C(/Cl)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000097983625 1072839723 /nfs/dbraw/zinc/83/97/23/1072839723.db2.gz ZSFPVGLXPLEPQB-YESHOFFLSA-N 0 1 573.504 9.147 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1ccc(Cl)c(NN=C(C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000254308743 1072846512 /nfs/dbraw/zinc/84/65/12/1072846512.db2.gz LMZVQLXSZBVKPZ-UHFFFAOYSA-N 0 1 551.934 5.098 50 0 KKAAMN COc1cc(CN=Nc2c(Cl)cc(Cl)cc2Cl)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000254407223 1072853843 /nfs/dbraw/zinc/85/38/43/1072853843.db2.gz HKEBADFTAKPRAU-UHFFFAOYSA-N 0 1 520.844 7.044 50 0 KKAAMN COC(=O)c1ccc(C=Nn2c(=S)[nH]nc2-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)cc1 ZINC000254439488 1072855527 /nfs/dbraw/zinc/85/55/27/1072855527.db2.gz UEKTWKSHQFBSDO-UHFFFAOYSA-N 0 1 506.897 5.134 50 0 KKAAMN O=S(=O)(Nc1cccc(Cl)c1)c1cc(N=Cc2cn(-c3ccccc3)nc2-c2cccnc2)ccc1Cl ZINC000254508017 1072860348 /nfs/dbraw/zinc/86/03/48/1072860348.db2.gz XLEDQRWJDALBSB-UHFFFAOYSA-N 0 1 548.455 6.793 50 0 KKAAMN CCOc1ccc(NS(=O)(=O)c2cc(NN=C3SC(=N)N=C3c3cc(C)c(C)cc3C)ccc2Cl)cc1 ZINC000254555524 1072863467 /nfs/dbraw/zinc/86/34/67/1072863467.db2.gz WTBRIAOFYKXVLQ-UHFFFAOYSA-N 0 1 556.113 6.361 50 0 KKAAMN CCOc1ccc(N=C2SC(CC(=O)c3ccc(OC)cc3)C(=O)N2c2ccc(OCC)cc2)cc1 ZINC000254854057 1072885574 /nfs/dbraw/zinc/88/55/74/1072885574.db2.gz MXDOWEXMQJTKFH-SANMLTNESA-N 0 1 504.608 5.902 50 0 KKAAMN CN(Cc1cccs1)Cc1cccc(OC2CCN(S(=O)(=O)c3cccc4cccnc43)CC2)c1 ZINC000015007829 1072896345 /nfs/dbraw/zinc/89/63/45/1072896345.db2.gz OSQKGZJTLPIYTG-UHFFFAOYSA-N 0 1 507.681 5.160 50 0 KKAAMN CN(Cc1cccs1)Cc1cccc(OC2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000055035830 1072899259 /nfs/dbraw/zinc/89/92/59/1072899259.db2.gz YRPBBDFLDZCUAD-UHFFFAOYSA-N 0 1 524.630 5.631 50 0 KKAAMN CCOC(=O)c1cnc2c(cccc2C(F)(F)F)c1Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 ZINC000000645726 551507680 /nfs/dbraw/zinc/50/76/80/551507680.db2.gz IICFLDFPWAWDRU-UHFFFAOYSA-N 0 1 545.543 5.382 50 0 KKAAMN O=C(Nc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)c(Cl)cc2Cl)cc1)c1ccccc1 ZINC000000826735 551544878 /nfs/dbraw/zinc/54/48/78/551544878.db2.gz QUXQBLUSECOQQC-UHFFFAOYSA-N 0 1 540.428 6.299 50 0 KKAAMN COc1ccc(-c2c/c(=N\c3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)c3cc(C)ccc3o2)cc1 ZINC000000955713 551589551 /nfs/dbraw/zinc/58/95/51/551589551.db2.gz MXQKNAZYYMMODZ-HMZBKAONSA-N 0 1 526.618 5.857 50 0 KKAAMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)N3CCCC3)ccc2Cl)cc1C ZINC000001066725 551602001 /nfs/dbraw/zinc/60/20/01/551602001.db2.gz FTALZUZUGAJVSJ-UHFFFAOYSA-N 0 1 512.031 5.246 50 0 KKAAMN O=C(Nc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2Cl)cc1)c1ccccc1 ZINC000001196912 551622722 /nfs/dbraw/zinc/62/27/22/551622722.db2.gz OAVJCQNCRKIUNE-UHFFFAOYSA-N 0 1 505.983 5.645 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000001274147 551635421 /nfs/dbraw/zinc/63/54/21/551635421.db2.gz BBOHAIIIDKKKOY-FCEKVYKBSA-N 0 1 556.521 5.244 50 0 KKAAMN COc1cccc(C(O)=C2[C@@H](C(=O)c3cccs3)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000001298474 551637716 /nfs/dbraw/zinc/63/77/16/551637716.db2.gz GYVPQSCZAHIGTI-WFPUBZAHSA-N 0 1 560.675 6.311 50 0 KKAAMN O=C(Nc1ccc(Oc2ccc(Br)c3ccccc23)c(Cl)c1)c1cc(Cl)ccc1O ZINC000001919958 551734362 /nfs/dbraw/zinc/73/43/62/551734362.db2.gz NMBKLSJXGONQLA-UHFFFAOYSA-N 0 1 503.179 7.659 50 0 KKAAMN CCO[P@](=O)(c1c(F)c(F)c(F)c(F)c1F)[C@H](NC1CCCCC1)c1ccc(Br)cc1 ZINC000002322149 552094433 /nfs/dbraw/zinc/09/44/33/552094433.db2.gz XQHVLQZUBRMASU-JCOAXYOVSA-N 0 1 526.280 6.706 50 0 KKAAMN COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000002428185 552117166 /nfs/dbraw/zinc/11/71/66/552117166.db2.gz FNIRWKIAUHOBTH-SANMLTNESA-N 0 1 518.997 5.141 50 0 KKAAMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NCc3ccco3)ccc2Cl)c1C ZINC000002884913 552209366 /nfs/dbraw/zinc/20/93/66/552209366.db2.gz UKBJYZMAEWCEAO-UHFFFAOYSA-N 0 1 538.025 5.533 50 0 KKAAMN CCN(CCCNC(=O)c1ccc(Cn2c(=O)c3cc(Br)ccc3[nH]c2=S)cc1)c1cccc(C)c1 ZINC000002973649 552245494 /nfs/dbraw/zinc/24/54/94/552245494.db2.gz AKNQWWHOULDZAE-UHFFFAOYSA-N 0 1 565.537 5.825 50 0 KKAAMN O=C(NCc1ccccc1Cl)c1ccc(Cn2c(=O)c3cc(Br)ccc3[nH]c2=S)cc1 ZINC000002973656 552245534 /nfs/dbraw/zinc/24/55/34/552245534.db2.gz AUNHZKFEMQRAOT-UHFFFAOYSA-N 0 1 514.832 5.079 50 0 KKAAMN Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2ccc3c(c2)NC(=O)/C(=C/c2ccccc2)S3)CC1 ZINC000003063945 552284482 /nfs/dbraw/zinc/28/44/82/552284482.db2.gz RTQLHBFVUCEAPL-VEILYXNESA-N 0 1 547.124 5.676 50 0 KKAAMN CCn1c2ccccc2c2cc(NC(=O)c3ccc(Cl)c(S(=O)(=O)Nc4ccc(Cl)cc4)c3)ccc21 ZINC000003210634 552305371 /nfs/dbraw/zinc/30/53/71/552305371.db2.gz LQJJWVVTJWOIIA-UHFFFAOYSA-N 0 1 538.456 7.174 50 0 KKAAMN O=C(COC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1)N1c2ccccc2Sc2ccccc21 ZINC000003253225 552323106 /nfs/dbraw/zinc/32/31/06/552323106.db2.gz XQOVMEGNFJUNCF-UHFFFAOYSA-N 0 1 552.580 5.752 50 0 KKAAMN COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(=S)n(C[N@@H+](CCc3ccccc3)Cc3ccccc3)c2c1 ZINC000003268748 552330982 /nfs/dbraw/zinc/33/09/82/552330982.db2.gz UIFPRCLGEHMGQD-UHFFFAOYSA-N 0 1 559.713 6.476 50 0 KKAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1 ZINC000003299611 552345480 /nfs/dbraw/zinc/34/54/80/552345480.db2.gz BHIPIQBVLRZIAJ-UHFFFAOYSA-N 0 1 545.789 5.833 50 0 KKAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=S)Nc2ccc(C)c(Cl)c2)cc1 ZINC000003337310 552361666 /nfs/dbraw/zinc/36/16/66/552361666.db2.gz PAMGVRWTXLLOLH-UHFFFAOYSA-N 0 1 554.919 6.419 50 0 KKAAMN CCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1c([S-])n(-c2ccccc2C)c2ccc(C)c[n+]21 ZINC000003342689 552363677 /nfs/dbraw/zinc/36/36/77/552363677.db2.gz VGUCMQRIYLVBHN-UHFFFAOYSA-O 0 1 534.708 6.341 50 0 KKAAMN COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)NCCc3ccc(Cl)cc3Cl)ccc2C)cc1Cl ZINC000003375236 552376074 /nfs/dbraw/zinc/37/60/74/552376074.db2.gz RRUTZKBJVAZXHE-UHFFFAOYSA-N 0 1 557.883 5.746 50 0 KKAAMN CCn1c2ccccc2c2cc(NC(=O)[C@H](C)OC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)cc3C)ccc21 ZINC000003424973 552384185 /nfs/dbraw/zinc/38/41/85/552384185.db2.gz ULJALEZRVPRUGL-FQEVSTJZSA-N 0 1 573.646 6.247 50 0 KKAAMN COc1cccc(NC(=O)[C@@H](OC(=O)c2ccccc2NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2)c1 ZINC000003434360 552386334 /nfs/dbraw/zinc/38/63/34/552386334.db2.gz KVSQIIKHBLHDCS-SANMLTNESA-N 0 1 595.471 5.795 50 0 KKAAMN CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)N(CCc3ccccc3)Cc3ccccc3)c(=O)c2c1 ZINC000004662733 552471366 /nfs/dbraw/zinc/47/13/66/552471366.db2.gz NLZALTRHYAUBFQ-UHFFFAOYSA-N 0 1 583.685 5.768 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCCN2CCN(c3ccccc3)CC2)cc1 ZINC000004762086 552478818 /nfs/dbraw/zinc/47/88/18/552478818.db2.gz YPRDMNCJUKJPKQ-WJOKGBTCSA-N 0 1 615.800 5.027 50 0 KKAAMN CCN1CCN(c2cc(C)c3cc(NC(=S)N4CCN(c5cccc(C(F)(F)F)c5)CC4)ccc3n2)CC1 ZINC000004791370 552484746 /nfs/dbraw/zinc/48/47/46/552484746.db2.gz SPRFWTZEZHSHQY-UHFFFAOYSA-N 0 1 542.675 5.223 50 0 KKAAMN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)c(C)c2)c1 ZINC000005940387 552513329 /nfs/dbraw/zinc/51/33/29/552513329.db2.gz ZYRDUXRSBVLYQT-UHFFFAOYSA-N 0 1 597.690 5.411 50 0 KKAAMN CCc1ccccc1NC=C1c2ccccc2C(=O)N(c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)C1=O ZINC000005940840 552513727 /nfs/dbraw/zinc/51/37/27/552513727.db2.gz INZGSRSQRUZJBR-LHLOQNFPSA-N 0 1 553.640 5.698 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ccccc3Cl)C2=O)c1 ZINC000005941445 552514026 /nfs/dbraw/zinc/51/40/26/552514026.db2.gz CAGOWLALMPNHND-PTGBLXJZSA-N 0 1 560.031 5.789 50 0 KKAAMN COc1ccc(NC(=O)C[C@H]2OC(=O)c3ccccc32)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000006088409 552530071 /nfs/dbraw/zinc/53/00/71/552530071.db2.gz LEDCHXCNHCYHNY-OAQYLSRUSA-N 0 1 521.378 5.043 50 0 KKAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=O)/C=C/c2ccc(OC)cc2)cc1 ZINC000006143060 552544898 /nfs/dbraw/zinc/54/48/98/552544898.db2.gz ZVTRFSDXJZDYNL-GIDUJCDVSA-N 0 1 531.428 5.309 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 ZINC000006144226 552545841 /nfs/dbraw/zinc/54/58/41/552545841.db2.gz ZFPLJHYLGLENTQ-DEDYPNTBSA-N 0 1 568.630 6.140 50 0 KKAAMN CCn1c2ccccc2c2cc(NC(=O)c3ccccc3NS(=O)(=O)c3c(C)c(C)cc(C)c3C)ccc21 ZINC000006146356 552547896 /nfs/dbraw/zinc/54/78/96/552547896.db2.gz SIRLPOOCOJRCCM-UHFFFAOYSA-N 0 1 525.674 7.101 50 0 KKAAMN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(OCC)cc1 ZINC000006146273 552548056 /nfs/dbraw/zinc/54/80/56/552548056.db2.gz MJDVRVYDXXOECL-UHFFFAOYSA-N 0 1 585.103 6.697 50 0 KKAAMN CCCN(CCC)Cc1c(OC(=O)c2ccc(Cl)cc2)ccc2c(=O)c(Oc3cc(C)cc(C)c3C)c(C(F)(F)F)oc21 ZINC000006166839 552557272 /nfs/dbraw/zinc/55/72/72/552557272.db2.gz JHTRDMBCIXMMOX-UHFFFAOYSA-N 0 1 616.076 9.024 50 0 KKAAMN Oc1ccc(-c2nc(-c3ccccc3)c(-c3ccc4oc5ccc(-c6nc(-c7ccc(O)cc7)[nH]c6-c6ccccc6)cc5c4c3)[nH]2)cc1 ZINC000008435114 553029848 /nfs/dbraw/zinc/02/98/48/553029848.db2.gz LFPPEIQRWSPQQB-UHFFFAOYSA-N 0 1 636.711 10.445 50 0 KKAAMN Oc1ccc(-c2nc(-c3ccc4oc5ccc(-c6nc(-c7ccc(O)cc7)[nH]c6-c6ccccc6)cc5c4c3)c(-c3ccccc3)[nH]2)cc1 ZINC000008435114 553029850 /nfs/dbraw/zinc/02/98/50/553029850.db2.gz LFPPEIQRWSPQQB-UHFFFAOYSA-N 0 1 636.711 10.445 50 0 KKAAMN COc1ccc(NC(=O)CSc2nc(-c3cc(OC)c(OC)c(OC)c3)[nH]c2-c2ccc(F)cc2)cc1 ZINC000008594651 553087635 /nfs/dbraw/zinc/08/76/35/553087635.db2.gz UNZZWAHGBGFLOQ-UHFFFAOYSA-N 0 1 523.586 5.648 50 0 KKAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)c3cnn(-c4cccc(Cl)c4)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1 ZINC000008597039 553091619 /nfs/dbraw/zinc/09/16/19/553091619.db2.gz AQRNZUFKGRWNIE-UHFFFAOYSA-N 0 1 635.253 6.199 50 0 KKAAMN Nc1c(-c2n[nH]c(=S)n2-c2ccc(Cl)cc2)sc2nnc(-c3ccccc3)c(-c3ccccc3)c12 ZINC000008636724 553105512 /nfs/dbraw/zinc/10/55/12/553105512.db2.gz WFGKWFKHCPMKQN-UHFFFAOYSA-N 0 1 513.051 7.171 50 0 KKAAMN Clc1ccc2c(c1)[C@H]1CC(c3ccc(Br)cc3)=NN1C1(CCN(Cc3ccccc3)CC1)O2 ZINC000008717714 553129161 /nfs/dbraw/zinc/12/91/61/553129161.db2.gz IMTHVRJQTXXHOU-RUZDIDTESA-N 0 1 522.874 6.638 50 0 KKAAMN Cc1cc(C)c(O)c(-c2cc(C(=O)Nc3sc4c(c3C(=O)NCCc3ccccc3)CCC4)[nH]n2)c1 ZINC000008845573 553165844 /nfs/dbraw/zinc/16/58/44/553165844.db2.gz ZUVWMMBFSZXVGE-UHFFFAOYSA-N 0 1 500.624 5.174 50 0 KKAAMN COc1cc2nc(SCc3c(F)cccc3Cl)n3c(CC4CCCCC4)c(O)nc3c2cc1OC ZINC000008925837 553190830 /nfs/dbraw/zinc/19/08/30/553190830.db2.gz QYMZJMVOWBJNTJ-OAQYLSRUSA-N 0 1 516.038 6.359 50 0 KKAAMN COc1ccc([C@@H]2N(c3ccccc3)O[C@@H]3C(=O)N(c4cccc(OC)c4)C(=O)[C@@]32c2ccccc2)cc1 ZINC000009076200 553207641 /nfs/dbraw/zinc/20/76/41/553207641.db2.gz AMQXICBZAUZORP-WTNLLYQRSA-N 0 1 506.558 5.077 50 0 KKAAMN COc1ccc([C@@H]2N(c3ccccc3)OC3C(=O)N(c4cccc(OC)c4)C(=O)[C@@]32c2ccccc2)cc1 ZINC000009076200 553207642 /nfs/dbraw/zinc/20/76/42/553207642.db2.gz AMQXICBZAUZORP-WTNLLYQRSA-N 0 1 506.558 5.077 50 0 KKAAMN O=C(c1ccccc1)[C@@H]1C(=C(O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000009088461 553208908 /nfs/dbraw/zinc/20/89/08/553208908.db2.gz JCYGMPZIRVWNQW-NBJHOTSESA-N 0 1 514.556 5.682 50 0 KKAAMN CCOc1ccc(C[C@@H]2c3cc(OCC)c(OCC)cc3CCN2C(=O)CN2CCCC2)cc1OCC ZINC000009088528 553208927 /nfs/dbraw/zinc/20/89/27/553208927.db2.gz BZAYKQWIPKBNFG-RUZDIDTESA-N 0 1 510.675 5.046 50 0 biogenic KKAAMN Cc1nn(-c2ccccc2)c2c1C(c1ccccc1)c1c3nc(-c4ccc5ccccc5n4)nn3cnc1O2 ZINC000009159666 553215290 /nfs/dbraw/zinc/21/52/90/553215290.db2.gz AOPRDCLLAQTLPA-SANMLTNESA-N 0 1 507.557 6.120 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccco5)nc4c32)cc1OC ZINC000009191921 553218627 /nfs/dbraw/zinc/21/86/27/553218627.db2.gz ZZSUBTFOSCNYAG-HSZRJFAPSA-N 0 1 506.522 5.182 50 0 KKAAMN COc1ccc(-c2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)C4c2ccc(OC)cc2)cc1 ZINC000009210401 553220680 /nfs/dbraw/zinc/22/06/80/553220680.db2.gz VDIDHELMUNZBKY-RUZDIDTESA-N 0 1 516.561 5.589 50 0 KKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(Cl)c(C)cc4O)c3[C@@H]2c2cccc(O)c2)cc1OC ZINC000009242785 553226613 /nfs/dbraw/zinc/22/66/13/553226613.db2.gz JHZGQGXMCPKTJV-MHZLTWQESA-N 0 1 519.985 5.255 50 0 KKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(Cl)c(C)cc4O)c3[C@H]2c2ccc(C)cc2)cc1OC ZINC000009243052 553226834 /nfs/dbraw/zinc/22/68/34/553226834.db2.gz ROGWDQCDKHTYFP-MUUNZHRXSA-N 0 1 518.013 5.858 50 0 KKAAMN COc1ccccc1C1=NN2[C@H](C1)c1cc(Br)ccc1OC21CCN(Cc2ccccc2)CC1 ZINC000009272634 553231801 /nfs/dbraw/zinc/23/18/01/553231801.db2.gz MSJGVPLVRYDSQE-RUZDIDTESA-N 0 1 518.455 5.994 50 0 KKAAMN COc1cc([C@@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCCO)ccc1OCCC(C)C ZINC000009293112 553235320 /nfs/dbraw/zinc/23/53/20/553235320.db2.gz HHMQVOSGEZSVPL-AREMUKBSSA-N 0 1 514.022 5.105 50 0 KKAAMN c1ccc(CN2CCC3(CC2)Oc2ccccc2[C@H]2CC(c4ccc(Sc5ccccc5)cc4)=NN23)cc1 ZINC000009358175 553247531 /nfs/dbraw/zinc/24/75/31/553247531.db2.gz YVALUFAEOYAGQI-WJOKGBTCSA-N 0 1 517.698 7.374 50 0 KKAAMN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCCN2CCN(c3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000009407174 553256810 /nfs/dbraw/zinc/25/68/10/553256810.db2.gz VJTDEFHECFLXHS-VMPREFPWSA-N 0 1 530.738 5.013 50 0 KKAAMN COc1ccc(-c2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)C4c2ccccc2OC)cc1 ZINC000009487780 553272936 /nfs/dbraw/zinc/27/29/36/553272936.db2.gz UZIIBFSTTMLMQM-VWLOTQADSA-N 0 1 516.561 5.589 50 0 KKAAMN Cc1oc(-c2cccc(Br)c2)nc1CN1CCC(C(=O)N[C@H](C)CCc2ccccc2)CC1 ZINC000009490454 553273646 /nfs/dbraw/zinc/27/36/46/553273646.db2.gz GZLJLNCKKWAIEI-LJQANCHMSA-N 0 1 510.476 5.762 50 0 KKAAMN COc1ccc(-c2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)c(-c3ccc(OC)cc3)[nH]2)cc1 ZINC000009674223 553294709 /nfs/dbraw/zinc/29/47/09/553294709.db2.gz ZFIGXNNNBRVCPY-UHFFFAOYSA-N 0 1 503.580 5.263 50 0 KKAAMN COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc(OCC(C)C)cc2)c1 ZINC000012363360 553359471 /nfs/dbraw/zinc/35/94/71/553359471.db2.gz HBWOUHJZARSKNR-UHFFFAOYSA-N 0 1 501.627 5.083 50 0 KKAAMN CCOC(=O)C1C(CSc2nn(-c3ccccc3)c(=S)s2)=NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000012412532 553364155 /nfs/dbraw/zinc/36/41/55/553364155.db2.gz VWJXLQQVLAXBEM-FQEVSTJZSA-N 0 1 512.682 5.244 50 0 KKAAMN COc1cc2nc(SCc3c(F)cccc3Cl)n3c(CC4CCCCC4)c(O)nc3c2cc1OC ZINC000012951460 553428588 /nfs/dbraw/zinc/42/85/88/553428588.db2.gz QYMZJMVOWBJNTJ-NRFANRHFSA-N 0 1 516.038 6.359 50 0 KKAAMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)c1 ZINC000013072495 553444781 /nfs/dbraw/zinc/44/47/81/553444781.db2.gz VFLLJXNNVWHTIJ-UHFFFAOYSA-N 0 1 504.995 5.973 50 0 KKAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)CCSc3ccccc3Cl)ccc2OC)cc1 ZINC000013148715 553455997 /nfs/dbraw/zinc/45/59/97/553455997.db2.gz YDHANKSZXRJKPP-UHFFFAOYSA-N 0 1 507.033 5.279 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)Cc2coc3cc(C)ccc23)ccc1N1CCCC1 ZINC000013525650 553468980 /nfs/dbraw/zinc/46/89/80/553468980.db2.gz FGPPNEALKHWIHR-UHFFFAOYSA-N 0 1 519.623 5.332 50 0 KKAAMN c1ccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4nc(-c5ccccc5)[nH]c4-c4ccccc4)cc3)[nH]2)cc1 ZINC000013686219 553485289 /nfs/dbraw/zinc/48/52/89/553485289.db2.gz ZCBGYNRXIFISFZ-UHFFFAOYSA-N 0 1 514.632 9.135 50 0 KKAAMN c1ccc(-c2nc(-c3ccc(-c4nc(-c5ccccc5)[nH]c4-c4ccccc4)cc3)c(-c3ccccc3)[nH]2)cc1 ZINC000013686219 553485291 /nfs/dbraw/zinc/48/52/91/553485291.db2.gz ZCBGYNRXIFISFZ-UHFFFAOYSA-N 0 1 514.632 9.135 50 0 KKAAMN CC1(C)Cc2cccc(OCC(=O)Nc3ccc(Cl)c(S(=O)(=O)Nc4ccc(Cl)cc4)c3)c2O1 ZINC000014360546 553514132 /nfs/dbraw/zinc/51/41/32/553514132.db2.gz HOTJVBLQKZIGCO-UHFFFAOYSA-N 0 1 521.422 5.525 50 0 KKAAMN CN(Cc1cnn(C)c1)Cc1ccc(OC2CCN(C(=O)c3cccc(-c4cccc(F)c4)c3)CC2)cc1 ZINC000014991784 553524150 /nfs/dbraw/zinc/52/41/50/553524150.db2.gz DTVCYUGTGOHRQF-UHFFFAOYSA-N 0 1 512.629 5.542 50 0 KKAAMN COc1ccc(OC)c(NC(=O)c2c(NC(=O)CNCc3ccccc3)sc3c2CC[C@@H](C(C)(C)C)C3)c1 ZINC000015945906 553544194 /nfs/dbraw/zinc/54/41/94/553544194.db2.gz GFADXQKLFNGACF-HXUWFJFHSA-N 0 1 535.710 5.897 50 0 KKAAMN CC(C)N1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)ccc2OCc2ccccc2)N3)C1 ZINC000015947068 553545101 /nfs/dbraw/zinc/54/51/01/553545101.db2.gz YHILSUQXAUFKTF-QHCPKHFHSA-N 0 1 512.473 6.285 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000015999179 553549612 /nfs/dbraw/zinc/54/96/12/553549612.db2.gz DSKVOGRWCPWEBW-JDONGJSOSA-N 0 1 520.629 5.674 50 0 KKAAMN Cc1ccc(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000016000380 553549618 /nfs/dbraw/zinc/54/96/18/553549618.db2.gz ITEQSXGFUXVWLH-NAQGONTDSA-N 0 1 516.622 5.913 50 0 KKAAMN CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C(C)=C[C@H]3[C@]23c2ccccc2NC3=O)cc1 ZINC000016033532 553551728 /nfs/dbraw/zinc/55/17/28/553551728.db2.gz PSPQXTVPIFUNTA-HICIQRJKSA-N 0 1 532.684 6.618 50 0 KKAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@H](c2cccc(Br)c2)N(Cc2cccnc2)C3=O)cc1Cl ZINC000016956868 553585184 /nfs/dbraw/zinc/58/51/84/553585184.db2.gz JWQHCZGQENDFJZ-QHCPKHFHSA-N 0 1 509.791 5.647 50 0 KKAAMN COc1ccc(Nc2cc(C)nc(Nc3ccc(NS(=O)(=O)c4cc(OC)ccc4OC)cc3)n2)cc1 ZINC000017013675 553586193 /nfs/dbraw/zinc/58/61/93/553586193.db2.gz ASJWIELSMOPJDX-UHFFFAOYSA-N 0 1 521.599 5.099 50 0 KKAAMN COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccc(Nc2nc(C)cc(Nc3ccc(C)cc3)n2)cc1 ZINC000017042842 553587121 /nfs/dbraw/zinc/58/71/21/553587121.db2.gz NWQXSAJWUYTPHO-UHFFFAOYSA-N 0 1 524.046 6.352 50 0 KKAAMN O=C(Cc1csc(Nc2[nH]c(=S)nc3ccccc32)n1)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000017337621 553593622 /nfs/dbraw/zinc/59/36/22/553593622.db2.gz PBEXWGCHZSTBSH-UHFFFAOYSA-N 0 1 554.145 5.017 50 0 KKAAMN O=C(Nc1ncc(SCCN2CCCC2)s1)[C@]1(c2ccc(S(=O)(=O)C3CC3)cc2)C[C@H]1C1CCCCC1 ZINC000070471849 553594444 /nfs/dbraw/zinc/59/44/44/553594444.db2.gz QIIVJLHCZUTGSD-CUBQBAPOSA-N 0 1 559.823 5.744 50 0 investigational KKAAMN CC(=O)[C@@H]1[C@@H](C(=O)c2ccc(CC(C)C)cc2)[C@@]2(c3ccccc3NC2=O)[C@H]2C=C(C)c3cc(C)ccc3N21 ZINC000070686593 553605229 /nfs/dbraw/zinc/60/52/29/553605229.db2.gz JRXKVGXPQTVZDF-ZYQCKUACSA-N 0 1 518.657 6.146 50 0 biogenic KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccc4c(c3)OCO4)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4cc(C)ccc4N32)c1 ZINC000070687271 553606432 /nfs/dbraw/zinc/60/64/32/553606432.db2.gz VDKDCQCYZSIFDO-JMNGKNCGSA-N 0 1 598.655 5.979 50 0 biogenic KKAAMN COc1ccc(C(O)=C2[C@@H](C(=O)c3ccccc3)N3c4cc(C)ccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000070687366 553606726 /nfs/dbraw/zinc/60/67/26/553606726.db2.gz NEJTVQGORAPFOP-ZXFZPVEDSA-N 0 1 540.619 5.860 50 0 biogenic KKAAMN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21C(=C(O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCCN21 ZINC000070700907 553620034 /nfs/dbraw/zinc/62/00/34/553620034.db2.gz ZUEMIEDFYRIAHR-JMBFNUQRSA-N 0 1 576.878 5.426 50 0 biogenic KKAAMN CCOc1ccc(CCNC(=O)[C@@H]2CCCN(Cc3nc(-c4ccccc4C)oc3C)C2)cc1OCC ZINC000020240907 553626802 /nfs/dbraw/zinc/62/68/02/553626802.db2.gz WFTYPVSRZVKVGJ-XMMPIXPASA-N 0 1 505.659 5.327 50 0 KKAAMN CCOc1ccc(N2C(=O)C3=C(C(c4ccc(Cl)cc4)=NCCN3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000019932824 553635502 /nfs/dbraw/zinc/63/55/02/553635502.db2.gz JPYHJSIOXZNVNY-MUUNZHRXSA-N 0 1 518.013 5.190 50 0 KKAAMN COc1ccc(/N=c2\oc3cc(O)ccc3cc2-c2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000085541445 553683138 /nfs/dbraw/zinc/68/31/38/553683138.db2.gz RMACQRPMBUPCGN-PNHLSOANSA-N 0 1 505.393 6.932 50 0 KKAAMN COc1cc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@@H](C3)N(C)CC4)cc1OC ZINC000085540998 553683153 /nfs/dbraw/zinc/68/31/53/553683153.db2.gz ZCTJIMXXSXQXRI-XZWHSSHBSA-N 0 1 696.841 7.063 50 0 biogenic,in-vitro KKAAMN O=C(CCCCCn1c(=O)c2ccccc2[nH]c1=S)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000020643535 553683572 /nfs/dbraw/zinc/68/35/72/553683572.db2.gz UEVNNUVGFDCTJJ-UHFFFAOYSA-N 0 1 519.589 5.148 50 0 KKAAMN C[C@@H]1CCC[C@H](NC(=O)c2ccc(Cn3c(=O)c4cc(Br)ccc4[nH]c3=S)cc2)[C@@H]1C ZINC000020644173 553684069 /nfs/dbraw/zinc/68/40/69/553684069.db2.gz RDUFJXLMSGZAHJ-SXGZJXTBSA-N 0 1 500.462 5.424 50 0 KKAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2coc3ccc(Cl)cc3c2=O)cc1 ZINC000085875752 553688524 /nfs/dbraw/zinc/68/85/24/553688524.db2.gz LWLYSAGYEQZDQQ-MRXNPFEDSA-N 0 1 516.889 5.375 50 0 biogenic KKAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2coc3ccc(Cl)cc3c2=O)cc1 ZINC000085875749 553688575 /nfs/dbraw/zinc/68/85/75/553688575.db2.gz LWLYSAGYEQZDQQ-INIZCTEOSA-N 0 1 516.889 5.375 50 0 biogenic KKAAMN CCOc1cc(C(=O)Nc2ccc3nc(N4CCN(CC)CC4)cc(C)c3c2)cc(OCC)c1OCC ZINC000020108672 553691409 /nfs/dbraw/zinc/69/14/09/553691409.db2.gz LEPQROQMRZZPTA-UHFFFAOYSA-N 0 1 506.647 5.134 50 0 KKAAMN CSc1nc(Sc2n[nH]c(-c3ccc(C(C)(C)C)cc3)n2)cc(Sc2nc(-c3ccc(C(C)(C)C)cc3)n[nH]2)n1 ZINC000095703723 553708766 /nfs/dbraw/zinc/70/87/66/553708766.db2.gz CLFGGRYEHOHBEN-UHFFFAOYSA-N 0 1 588.832 7.666 50 0 KKAAMN S=c1n(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)nc([C@@H]2COc3ccccc3O2)n1-c1ccccc1 ZINC000022036772 553723324 /nfs/dbraw/zinc/72/33/24/553723324.db2.gz NQFBNPJXHQLPMN-HKBQPEDESA-N 0 1 575.738 6.280 50 0 KKAAMN O=C(CN(CCN1CCCC1)C(=O)c1ccccc1Cl)N(Cc1cccs1)Cc1ccc(F)cc1 ZINC000096230584 553731628 /nfs/dbraw/zinc/73/16/28/553731628.db2.gz JBNZLPSYWHQWPJ-UHFFFAOYSA-N 0 1 514.066 5.308 50 0 KKAAMN Cc1nc2sc([C@@H](c3ccc(C(C)C)cc3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c([O-])n2n1 ZINC000022852774 553761579 /nfs/dbraw/zinc/76/15/79/553761579.db2.gz FBQOGPALLNJEMR-GDLZYMKVSA-N 0 1 537.733 6.425 50 0 KKAAMN Nc1c(-c2ccccc2)c(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)nn1-c1ccc(F)cc1 ZINC000022920679 553767060 /nfs/dbraw/zinc/76/70/60/553767060.db2.gz XRTMQUFPUKEAQH-UHFFFAOYSA-N 0 1 517.652 6.168 50 0 KKAAMN O[C@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022924910 553767089 /nfs/dbraw/zinc/76/70/89/553767089.db2.gz RZCIBMKUWVZWQH-VWLOTQADSA-N 0 1 529.464 5.007 50 0 KKAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)c1 ZINC000097947808 553788906 /nfs/dbraw/zinc/78/89/06/553788906.db2.gz YAHHBMSKVBGGLL-UHFFFAOYSA-N 0 1 542.463 5.753 50 0 KKAAMN CCOc1cccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(Cl)c(Cl)c2)c1 ZINC000024193205 553790516 /nfs/dbraw/zinc/79/05/16/553790516.db2.gz DKCYOIYOIFPVCH-QFIPXVFZSA-N 0 1 518.418 6.032 50 0 KKAAMN CCc1ccc(-c2cc(C(=O)NCCCN3CCN(CCCNC(=O)c4cc(-c5ccc(CC)cc5)nc5ccccc54)CC3)c3ccccc3n2)cc1 ZINC000097949280 553801107 /nfs/dbraw/zinc/80/11/07/553801107.db2.gz DJVMIPVMMSKACH-UHFFFAOYSA-N 0 1 718.946 7.799 50 0 KKAAMN O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000025161988 553803218 /nfs/dbraw/zinc/80/32/18/553803218.db2.gz OSLOKDXQIAMKEA-MHZLTWQESA-N 0 1 512.440 7.764 50 0 KKAAMN O=C(Nc1cccc([C@H]2NC[C@@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)c1)c1ccc(Cl)cc1 ZINC000025462496 553809472 /nfs/dbraw/zinc/80/94/72/553809472.db2.gz WNWZXPIYKLTWKS-RBJSKKJNSA-N 0 1 512.440 7.552 50 0 KKAAMN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1)c1c3nc(-c4ccc5ccccc5c4O)nn3cnc1O2 ZINC000097954526 553823785 /nfs/dbraw/zinc/82/37/85/553823785.db2.gz TXOICNQXLKXRJP-AREMUKBSSA-N 0 1 522.568 6.430 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5cccc(C)c5)nc4c32)cc1OC ZINC000097954648 553824400 /nfs/dbraw/zinc/82/44/00/553824400.db2.gz OGKMPFNSICZTPR-SANMLTNESA-N 0 1 530.588 5.897 50 0 KKAAMN Cc1nn(-c2ccccc2)c2c1C(c1ccccc1)c1c3nc(-c4ccc(Cl)cc4Cl)nn3cnc1O2 ZINC000097954678 553824697 /nfs/dbraw/zinc/82/46/97/553824697.db2.gz KSDSGEOLWUDTIK-QHCPKHFHSA-N 0 1 525.399 6.878 50 0 KKAAMN Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C(=O)c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2CCCN21 ZINC000097955241 553830200 /nfs/dbraw/zinc/83/02/00/553830200.db2.gz YCCPIQFTOOLLBA-AHFVTIBXSA-N 0 1 532.427 5.316 50 0 KKAAMN Cc1ccccc1Cc1[nH]n(-c2ccccc2C)c(=O)c1C=C1NC(=O)N(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000097955999 553835504 /nfs/dbraw/zinc/83/55/04/553835504.db2.gz DBDZYJSTKKGNMP-XYGWBWBKSA-N 0 1 546.549 5.897 50 0 KKAAMN COc1ccccc1C1c2c(C)nn(-c3ccc(Cl)cc3)c2Oc2ncn3nc(-c4ccncc4)nc3c21 ZINC000097956596 553840152 /nfs/dbraw/zinc/84/01/52/553840152.db2.gz RZNCVNKZZHNEFP-QHCPKHFHSA-N 0 1 521.968 5.628 50 0 KKAAMN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CN1CCN(C2c3ccccc3-c3ccccc32)CC1 ZINC000029747771 553848574 /nfs/dbraw/zinc/84/85/74/553848574.db2.gz CLNMDMKPRPJVNR-UHFFFAOYSA-N 0 1 562.670 5.282 50 0 KKAAMN CC(C)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963438 553890030 /nfs/dbraw/zinc/89/00/30/553890030.db2.gz GHHBEVKIOHSHRK-UHFFFAOYSA-N 0 1 594.828 6.608 50 0 KKAAMN CC(C)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963433 553890202 /nfs/dbraw/zinc/89/02/02/553890202.db2.gz UBPVCQDCMZGWDY-OYRHEFFESA-N 0 1 608.855 6.710 50 0 KKAAMN O=C(NCCc1cnc[nH]1)c1ccc(Cn2c3cnccc3nc2SCc2ccc(Cl)cc2)cc1 ZINC000033252301 553913846 /nfs/dbraw/zinc/91/38/46/553913846.db2.gz ZOJZPCPFTGINBE-UHFFFAOYSA-N 0 1 503.031 5.121 50 0 KKAAMN COc1ccc([C@@H]2[C@H](C(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000033356772 553944211 /nfs/dbraw/zinc/94/42/11/553944211.db2.gz KWSJJVDGRSPSGS-XLJNKUFUSA-N 0 1 591.152 5.170 50 0 KKAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2ccc3c(c2)OCO3)cc1Cl ZINC000033358422 553955459 /nfs/dbraw/zinc/95/54/59/553955459.db2.gz VROHMVOQHDRJRG-FGZHOGPDSA-N 0 1 598.653 6.743 50 0 KKAAMN O=C1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@@H](c2cccs2)N1c1ccc(Br)cc1 ZINC000033358459 553956188 /nfs/dbraw/zinc/95/61/88/553956188.db2.gz ZKOYIFLQLLXZRK-MSOLQXFVSA-N 0 1 591.097 6.877 50 0 KKAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2cccc(Br)c2)cc1C ZINC000033358508 553956251 /nfs/dbraw/zinc/95/62/51/553956251.db2.gz XKWOSNLTBCBMJV-VXKWHMMOSA-N 0 1 613.122 7.432 50 0 KKAAMN Cc1cc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2cccc(Br)c2)ccc1Br ZINC000033358502 553956256 /nfs/dbraw/zinc/95/62/56/553956256.db2.gz VCCPIHYKOUXRRC-LEWJYISDSA-N 0 1 677.991 7.886 50 0 KKAAMN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC)cc4)[C@]3(c3ccccc3)C2=O)cc1 ZINC000033933837 553977637 /nfs/dbraw/zinc/97/76/37/553977637.db2.gz CSPMPBHDTIPGRZ-OLWNVYNHSA-N 0 1 520.585 5.467 50 0 KKAAMN CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(OC)cc4)[C@]3(c3ccccc3)C2=O)cc1 ZINC000033933837 553977633 /nfs/dbraw/zinc/97/76/33/553977633.db2.gz CSPMPBHDTIPGRZ-OLWNVYNHSA-N 0 1 520.585 5.467 50 0 KKAAMN CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(N4CCCCC4)c(S(=O)(=O)Nc4ccccc4OC)c3)C2=O)cc1 ZINC000097980463 553988683 /nfs/dbraw/zinc/98/86/83/553988683.db2.gz HXYBOJVIMHDHTK-KRUMMXJUSA-N 0 1 680.783 6.303 50 0 KKAAMN O=S(=O)(Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OCC(F)(F)F)c1ccc2ccccc2c1 ZINC000097981283 553992725 /nfs/dbraw/zinc/99/27/25/553992725.db2.gz CQDHLEHXSHMNKN-UHFFFAOYSA-N 0 1 542.601 5.146 50 0 KKAAMN CC[C@H](C)c1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)Nc3ccc(Br)cc3)ccc2OC)cc1 ZINC000097981272 553992751 /nfs/dbraw/zinc/99/27/51/553992751.db2.gz ZBRCONCKHBRZHQ-INIZCTEOSA-N 0 1 553.500 5.573 50 0 KKAAMN COc1ccc(CCNC(=O)c2ccc(C)nc2C2CCN(Cc3cccc(Cl)c3)CC2)cc1OC ZINC000034725485 553996781 /nfs/dbraw/zinc/99/67/81/553996781.db2.gz KHUSHUFAXUWUAO-UHFFFAOYSA-N 0 1 508.062 5.413 50 0 KKAAMN Cc1ccc(N2CCCN(Cc3ccc(F)c(F)c3)C2=O)c(NS(=O)(=O)c2cccc(Cl)c2)c1 ZINC000034737767 553998429 /nfs/dbraw/zinc/99/84/29/553998429.db2.gz VEHCPEULOVJBNQ-UHFFFAOYSA-N 0 1 505.974 5.560 50 0 KKAAMN COc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)cc3C)c2)cc1 ZINC000097982919 554006108 /nfs/dbraw/zinc/00/61/08/554006108.db2.gz SDKBXELBXSOXKL-UHFFFAOYSA-N 0 1 583.663 5.305 50 0 KKAAMN CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2N2CCOCC2)cc1 ZINC000097982908 554006129 /nfs/dbraw/zinc/00/61/29/554006129.db2.gz BSCOWXTWCFKCFG-UHFFFAOYSA-N 0 1 671.197 5.429 50 0 KKAAMN O=[P@@](/C=C(/Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)NC[C@H](c1cccs1)N1CCOCC1 ZINC000097983724 554011330 /nfs/dbraw/zinc/01/13/30/554011330.db2.gz YIMZNKQNICNZMK-VMFBYBKUSA-N 0 1 533.461 7.464 50 0 KKAAMN CCN1CCN(c2c(CN(CC(C)C)C(=O)c3ccc4ccccc4c3)c(C)nn2-c2ccccc2)CC1 ZINC000034829531 554011866 /nfs/dbraw/zinc/01/18/66/554011866.db2.gz FJHODKBJOQPYBS-UHFFFAOYSA-N 0 1 509.698 5.774 50 0 KKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000034814863 554011886 /nfs/dbraw/zinc/01/18/86/554011886.db2.gz VKULZLRZVOVQAX-UHFFFAOYSA-N 0 1 501.719 5.673 50 0 KKAAMN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000034835002 554019256 /nfs/dbraw/zinc/01/92/56/554019256.db2.gz QYGLCGAGTYMGDE-DEOSSOPVSA-N 0 1 515.746 6.061 50 0 KKAAMN CCCCOc1ccc(C(=O)N(CCC)Cc2c(C)nn(-c3cccc(F)c3)c2N2CCN(CC)CC2)cc1 ZINC000034835543 554019881 /nfs/dbraw/zinc/01/98/81/554019881.db2.gz MVEZHKLVCSRWGZ-UHFFFAOYSA-N 0 1 535.708 5.693 50 0 KKAAMN CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)Nc1ccc(C)cc1C ZINC000034835790 554020476 /nfs/dbraw/zinc/02/04/76/554020476.db2.gz HZJOVYMKDRYLIY-UHFFFAOYSA-N 0 1 506.670 5.523 50 0 KKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3c4ccccc4ccc3N21 ZINC000035074070 554034192 /nfs/dbraw/zinc/03/41/92/554034192.db2.gz PYVLFAANCGCNQE-SVYISMGTSA-N 0 1 502.545 5.541 50 0 KKAAMN CC(C)(C)c1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)[nH]c2=O)cc1 ZINC000097999347 554042356 /nfs/dbraw/zinc/04/23/56/554042356.db2.gz RRQBHXIXILXMSR-UHFFFAOYSA-N 0 1 525.574 5.062 50 0 KKAAMN COc1ccc(NC(=O)CSC2=NC3(CCN(C)CC3)N=C2c2ccc(C(C)(C)C)cc2)cc1Cl ZINC000035397158 554047786 /nfs/dbraw/zinc/04/77/86/554047786.db2.gz BAYJYEOMTXSTHH-UHFFFAOYSA-N 0 1 513.107 5.641 50 0 KKAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1cccc(C)c1C)C(c1ccc(Br)cc1)=N2 ZINC000035397204 554047821 /nfs/dbraw/zinc/04/78/21/554047821.db2.gz UYKDLBJKSOBBOJ-UHFFFAOYSA-N 0 1 513.505 5.451 50 0 KKAAMN CN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(Cl)cc1)C(c1ccc(Br)cc1)=N2 ZINC000035397196 554047888 /nfs/dbraw/zinc/04/78/88/554047888.db2.gz AXNYOJMUKSYYNK-UHFFFAOYSA-N 0 1 505.869 5.098 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccc(Cl)cc5Cl)nc4c32)cc1 ZINC000098000043 554048214 /nfs/dbraw/zinc/04/82/14/554048214.db2.gz FZGNEDAMUCVGMH-DEOSSOPVSA-N 0 1 555.425 6.887 50 0 KKAAMN CCOP(=O)(OCC)[C@@H](NC(=O)c1ccc(C)cc1)c1nnc(-c2cc(-c3cc(C)ccc3O)n[nH]2)o1 ZINC000035681977 554062906 /nfs/dbraw/zinc/06/29/06/554062906.db2.gz SXUKFZDYBHVXJV-RUZDIDTESA-N 0 1 525.502 5.144 50 0 KKAAMN CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Br)cc3c4cc(Br)ccc4[nH]c32)cc1 ZINC000098007304 554063283 /nfs/dbraw/zinc/06/32/83/554063283.db2.gz YRSLMWXMEWJIHO-UHFFFAOYSA-N 0 1 536.289 6.944 50 0 KKAAMN CSCC[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]21 ZINC000098007367 554063786 /nfs/dbraw/zinc/06/37/86/554063786.db2.gz KPXRSOBZIDDLJG-CFRBSIFHSA-N 0 1 634.507 6.285 50 0 KKAAMN CC(C)OC[C@@H](O)CN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C(C)C ZINC000035842639 554081326 /nfs/dbraw/zinc/08/13/26/554081326.db2.gz BPNXIFHZGWCPJN-NDEPHWFRSA-N 0 1 521.746 5.533 50 0 KKAAMN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(=C(O)c2ccccc2F)[C@]12C(=O)Nc1ccccc12 ZINC000035843224 554081539 /nfs/dbraw/zinc/08/15/39/554081539.db2.gz YBBWWYMELMAGHI-ACIRYHQQSA-N 0 1 508.593 5.723 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000035843175 554081622 /nfs/dbraw/zinc/08/16/22/554081622.db2.gz DSKVOGRWCPWEBW-CPWWYQHDSA-N 0 1 520.629 5.674 50 0 KKAAMN COCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)cc1)Cc1ccc(OC)cc1 ZINC000035842724 554081641 /nfs/dbraw/zinc/08/16/41/554081641.db2.gz LYQXNMWZAJLTOJ-UHFFFAOYSA-N 0 1 534.100 5.940 50 0 KKAAMN CC(C)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1ccc(F)cc1 ZINC000035843673 554082112 /nfs/dbraw/zinc/08/21/12/554082112.db2.gz ODRMDVXVPANQFL-UHFFFAOYSA-N 0 1 526.483 7.096 50 0 KKAAMN Cc1ccccc1CN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000035843685 554082322 /nfs/dbraw/zinc/08/23/22/554082322.db2.gz QXOIARICWCWDDU-UHFFFAOYSA-N 0 1 520.504 7.019 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000035844180 554082397 /nfs/dbraw/zinc/08/23/97/554082397.db2.gz HOYVGSDKIFQSRO-CPWWYQHDSA-N 0 1 504.630 5.892 50 0 KKAAMN O=C(NCc1ccccc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@H]12 ZINC000035871394 554085701 /nfs/dbraw/zinc/08/57/01/554085701.db2.gz GIMKUDMQJZCYDI-AOYPEHQESA-N 0 1 513.991 5.538 50 0 KKAAMN O=C(NCc1cccnc1)c1ccc(CSc2nc(N3CCN(Cc4ccccc4)CC3)cc(C(F)(F)F)n2)o1 ZINC000098015114 554095841 /nfs/dbraw/zinc/09/58/41/554095841.db2.gz XCUDMOVGOHQZOZ-UHFFFAOYSA-N 0 1 568.625 5.028 50 0 KKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(C)ccc4O)c3[C@@H]2c2cccc(Br)c2)cc1OC ZINC000098047871 554157049 /nfs/dbraw/zinc/15/70/49/554157049.db2.gz NCKDRLLCSCLLRD-MHZLTWQESA-N 0 1 548.437 5.658 50 0 KKAAMN COc1ccc(-c2c(C)nn3c2nc(C)cc3N2CCN(CCOc3cccc4ccccc43)CC2)cc1OC ZINC000098048090 554159559 /nfs/dbraw/zinc/15/95/59/554159559.db2.gz JPRRZVXXSDCZPK-UHFFFAOYSA-N 0 1 537.664 5.385 50 0 KKAAMN COc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2cccc(Br)c2)cc1Cl ZINC000098049896 554169761 /nfs/dbraw/zinc/16/97/61/554169761.db2.gz BPVDEFDBNNODLT-LEWJYISDSA-N 0 1 649.539 7.477 50 0 KKAAMN COc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1Br ZINC000098050022 554171017 /nfs/dbraw/zinc/17/10/17/554171017.db2.gz XUXCVWWDPWMIQI-FCHUYYIVSA-N 0 1 663.566 7.786 50 0 KKAAMN CCOc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cc(Cl)ccc2C)cc1 ZINC000098050002 554171073 /nfs/dbraw/zinc/17/10/73/554171073.db2.gz HONHPPPCMJSAFQ-XZOQPEGZSA-N 0 1 598.697 7.413 50 0 KKAAMN COc1ccc(OC)c([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cccc(Cl)c2C)c1 ZINC000098050063 554171725 /nfs/dbraw/zinc/17/17/25/554171725.db2.gz KDTTYIWLQKEKLR-PKTZIBPZSA-N 0 1 614.696 7.032 50 0 KKAAMN COc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000098050092 554172039 /nfs/dbraw/zinc/17/20/39/554172039.db2.gz DLGUBAAHGFATMM-GOTSBHOMSA-N 0 1 596.250 6.079 50 0 KKAAMN Cc1cccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2cccs2)c1 ZINC000098050147 554172601 /nfs/dbraw/zinc/17/26/01/554172601.db2.gz SPZWIOQPIDECSC-RBUKOAKNSA-N 0 1 526.228 6.423 50 0 KKAAMN COc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2cccs2)cc1Cl ZINC000098050153 554172605 /nfs/dbraw/zinc/17/26/05/554172605.db2.gz JACDAKAZFAWVCW-OALUTQOASA-N 0 1 576.672 6.776 50 0 KKAAMN COc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2cccs2)cc1Cl ZINC000098050154 554172616 /nfs/dbraw/zinc/17/26/16/554172616.db2.gz JACDAKAZFAWVCW-RTBURBONSA-N 0 1 576.672 6.776 50 0 KKAAMN CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(CN[C@@H]3c4ccccc4C(=O)N3C[C@@H]3CCCO3)CCC[C@@]21C ZINC000036157526 554198813 /nfs/dbraw/zinc/19/88/13/554198813.db2.gz AFNBJAYDGOHJLH-PSXWTVODSA-N 0 1 500.727 6.744 50 0 KKAAMN COCCN(Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1ccccc1C ZINC000036203145 554201229 /nfs/dbraw/zinc/20/12/29/554201229.db2.gz DULUXXOFYOHGIY-UHFFFAOYSA-N 0 1 501.623 5.538 50 0 KKAAMN CC1=CC(C)(C)N(C(=O)CN2CCCCC2)c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21 ZINC000100086272 554209020 /nfs/dbraw/zinc/20/90/20/554209020.db2.gz OJKPYKAUXPRMBI-UHFFFAOYSA-N 0 1 540.751 8.084 50 0 KKAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C[C@H](O)COC(C)(C)C ZINC000036305098 554214985 /nfs/dbraw/zinc/21/49/85/554214985.db2.gz ZRYDXWWGXNPSPI-QFIPXVFZSA-N 0 1 502.055 5.157 50 0 KKAAMN CC(C)COC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000036307239 554215813 /nfs/dbraw/zinc/21/58/13/554215813.db2.gz WPDHQPMIUOUXAW-RSXGOPAZSA-N 0 1 511.638 5.033 50 0 KKAAMN COc1ccc([C@@H]2CC(c3cccc(F)c3)=NN2C(=O)CN2CCC(Cc3ccccc3)CC2)c(OC)c1 ZINC000036344498 554223314 /nfs/dbraw/zinc/22/33/14/554223314.db2.gz LSWNULRDNMJVOH-LJAQVGFWSA-N 0 1 515.629 5.475 50 0 KKAAMN Oc1cccc(-c2nc(-c3ccccc3)c(-c3ccc(Oc4ccc(-c5[nH]c(-c6cccc(O)c6)nc5-c5ccccc5)cc4)cc3)[nH]2)c1 ZINC000049605234 554323943 /nfs/dbraw/zinc/32/39/43/554323943.db2.gz KUVHUGOILATPQL-UHFFFAOYSA-N 0 1 638.727 10.338 50 0 KKAAMN Oc1cccc(-c2nc(-c3ccccc3)c(-c3ccc(Oc4ccc(-c5nc(-c6cccc(O)c6)[nH]c5-c5ccccc5)cc4)cc3)[nH]2)c1 ZINC000049605234 554323941 /nfs/dbraw/zinc/32/39/41/554323941.db2.gz KUVHUGOILATPQL-UHFFFAOYSA-N 0 1 638.727 10.338 50 0 KKAAMN COc1ccccc1OCCN(C[C@H](O)COc1cccc2[nH]c3ccccc3c21)C[C@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC000049722694 554324665 /nfs/dbraw/zinc/32/46/65/554324665.db2.gz JRLQBMKMDMZBGW-SVBPBHIXSA-N 0 1 645.756 6.525 50 0 in-vitro KKAAMN COc1ccccc1OCCN(C[C@@H](O)COc1cccc2[nH]c3ccccc3c21)C[C@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC000049722695 554324676 /nfs/dbraw/zinc/32/46/76/554324676.db2.gz JRLQBMKMDMZBGW-MKPDMIMOSA-N 0 1 645.756 6.525 50 0 in-vitro KKAAMN O=C(NCCN1CCCCCC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O ZINC000053371838 554348090 /nfs/dbraw/zinc/34/80/90/554348090.db2.gz DKWRLBHQKYFJQS-QNGWXLTQSA-N 0 1 536.097 5.273 50 0 KKAAMN CCCc1cc(N2CCN(CCOc3cccc4ccccc43)CC2)n2nc(C)c(-c3ccccc3)c2n1 ZINC000054284488 554349449 /nfs/dbraw/zinc/34/94/49/554349449.db2.gz XSXFIBMYTBQQFE-UHFFFAOYSA-N 0 1 505.666 6.011 50 0 KKAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc(Br)cc2)c1 ZINC000057222912 554353115 /nfs/dbraw/zinc/35/31/15/554353115.db2.gz ZKVWCPZMJCBNKG-UHFFFAOYSA-N 0 1 522.443 5.200 50 0 KKAAMN O=C1C(=Nc2ccc(OC(F)(F)F)cc2)C[C@H](c2ccc(Cl)cc2)N1c1ccc(OC(F)(F)F)cc1 ZINC000100384692 554364469 /nfs/dbraw/zinc/36/44/69/554364469.db2.gz OQFRJXYENKECTP-OAQYLSRUSA-N 0 1 528.836 7.221 50 0 KKAAMN CCOc1cc(C(c2c(=O)[nH][n-]c2-c2ccccc2)c2c(=O)[nH][nH]c2-c2ccccc2)ccc1OCC(=O)Nc1ccccc1OC ZINC000100391355 554367081 /nfs/dbraw/zinc/36/70/81/554367081.db2.gz IAHDCNFOGNVWOM-UHFFFAOYSA-N 0 1 631.689 6.483 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C)cc3)C2)[C@H]1c1cccc(Br)c1 ZINC000100425396 554386393 /nfs/dbraw/zinc/38/63/93/554386393.db2.gz QRIRZBZTWVIZLL-NRUKRWIHSA-N 0 1 557.532 8.888 50 0 KKAAMN O=C(c1ccc(Cl)c(Cl)c1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000100425518 554386654 /nfs/dbraw/zinc/38/66/54/554386654.db2.gz MYBHOLYAHAUXMQ-ADXZGYQBSA-N 0 1 563.868 9.104 50 0 KKAAMN O=C(N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1ccc(Cl)cc1Cl)C(F)(F)F ZINC000100425709 554387009 /nfs/dbraw/zinc/38/70/09/554387009.db2.gz PPVWINMLXBPWBJ-IVCQMTBJSA-N 0 1 531.361 8.106 50 0 KKAAMN O=C(N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1Cl)C(F)(F)F ZINC000100425705 554387026 /nfs/dbraw/zinc/38/70/26/554387026.db2.gz PPVWINMLXBPWBJ-CPJLOUKISA-N 0 1 531.361 8.106 50 0 KKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000100426316 554388061 /nfs/dbraw/zinc/38/80/61/554388061.db2.gz SVVZZINLRKRJMW-WRONEBCDSA-N 0 1 520.551 7.674 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000100426549 554388339 /nfs/dbraw/zinc/38/83/39/554388339.db2.gz AUMDEPMWHHJMNO-WYOOIXGGSA-N 0 1 559.106 8.488 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000100426502 554388430 /nfs/dbraw/zinc/38/84/30/554388430.db2.gz ZWHCYGGACPIZJJ-FLASPHMUSA-N 0 1 559.106 8.488 50 0 KKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000100426460 554388462 /nfs/dbraw/zinc/38/84/62/554388462.db2.gz YHFFVCZMKGNOBK-CGDLVVIGSA-N 0 1 620.702 7.594 50 0 KKAAMN COc1ccc([C@H]2C3=C(C[C@@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000100426662 554388717 /nfs/dbraw/zinc/38/87/17/554388717.db2.gz PLNAJBFJSDKEEW-QNLPTKCRSA-N 0 1 535.043 8.213 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1O[C@@H](C)CC ZINC000100426583 554388749 /nfs/dbraw/zinc/38/87/49/554388749.db2.gz DHJWEZGWCLEEJH-FLHDDJGCSA-N 0 1 596.768 9.012 50 0 biogenic KKAAMN CC(=O)Oc1cccc([C@H]2C3=C(C[C@@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(C)=O)c1 ZINC000100426867 554389056 /nfs/dbraw/zinc/38/90/56/554389056.db2.gz VHCWFEBLOFHDDQ-PBBNMVCDSA-N 0 1 500.982 6.835 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000100426804 554389109 /nfs/dbraw/zinc/38/91/09/554389109.db2.gz HCWJSYWRRKJOIO-UVDDSOTQSA-N 0 1 533.499 9.124 50 0 KKAAMN Oc1ccc2cc(-c3nc(-c4ccc(Br)cc4)cs3)/c(=N/c3ccc(-c4ccccc4)cc3)oc2c1 ZINC000100463227 554397721 /nfs/dbraw/zinc/39/77/21/554397721.db2.gz OCUGQTKNSBLEFP-OVXWJCGASA-N 0 1 551.465 8.591 50 0 KKAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)cc1 ZINC000100488747 554402577 /nfs/dbraw/zinc/40/25/77/554402577.db2.gz XSJBAVIQEDTXIE-UHFFFAOYSA-N 0 1 549.446 6.042 50 0 KKAAMN COc1cccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000100578028 554424020 /nfs/dbraw/zinc/42/40/20/554424020.db2.gz CUJBTEOLMXIGME-FCHUYYIVSA-N 0 1 580.207 5.790 50 0 KKAAMN COc1cccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2ccc3c(c2)OCO3)c1 ZINC000100578025 554424044 /nfs/dbraw/zinc/42/40/44/554424044.db2.gz CUJBTEOLMXIGME-FGZHOGPDSA-N 0 1 580.207 5.790 50 0 KKAAMN Cc1cc(Cl)ccc1N1C(=O)C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@H]1c1ccc2c(c1)OCO2 ZINC000100581967 554425057 /nfs/dbraw/zinc/42/50/57/554425057.db2.gz JFQYPYCRMBSDBV-FGZHOGPDSA-N 0 1 598.653 6.743 50 0 KKAAMN O=C1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@@H](c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000100582658 554425274 /nfs/dbraw/zinc/42/52/74/554425274.db2.gz AVTMQTVCJMFYLK-UXHICEINSA-N 0 1 558.607 6.845 50 0 KKAAMN O=C1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@@H](c2ccc(F)cc2)N1c1cc(Cl)cc(Cl)c1 ZINC000100582824 554425349 /nfs/dbraw/zinc/42/53/49/554425349.db2.gz HFNQXHHBUZYJMT-UXHICEINSA-N 0 1 593.052 7.499 50 0 KKAAMN Cc1ccc(F)cc1N1C(=O)C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@H]1c1ccc(F)cc1 ZINC000100584539 554426101 /nfs/dbraw/zinc/42/61/01/554426101.db2.gz XOWYJFOFMTXQAA-RTWAWAEBSA-N 0 1 556.179 6.640 50 0 KKAAMN COc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(C)c2)cc1OC ZINC000100585910 554426699 /nfs/dbraw/zinc/42/66/99/554426699.db2.gz PHALNRGQERBOSS-BJKOFHAPSA-N 0 1 594.278 6.687 50 0 KKAAMN CCOC(=O)c1c2cc(OC(C)=O)c3c(c(-c4ccccc4)nn3-c3ccccc3)c2n(Cc2ccccc2)c1CN1CCCCC1 ZINC000100625013 554434727 /nfs/dbraw/zinc/43/47/27/554434727.db2.gz SZKODXZIGOGICV-UHFFFAOYSA-N 0 1 626.757 7.783 50 0 KKAAMN COc1ccc(OC)c(NC(=O)C(O)=CC(=O)c2sc(-n3nc(-c4ccccc4)cc3-c3ccccc3)nc2C)c1 ZINC000100721932 554455967 /nfs/dbraw/zinc/45/59/67/554455967.db2.gz JRSCQQPMXVXDJV-UHFFFAOYSA-N 0 1 566.639 5.769 50 0 KKAAMN O=C(Nc1ccc(Cl)cc1)[C@H]1[C@@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000100848332 554491768 /nfs/dbraw/zinc/49/17/68/554491768.db2.gz HBDFOCFVBQODHH-UHLQNUQBSA-N 0 1 546.026 5.952 50 0 KKAAMN COc1ccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000064558185 554511755 /nfs/dbraw/zinc/51/17/55/554511755.db2.gz ADKTXPUIJIGZNX-NRFANRHFSA-N 0 1 514.397 5.098 50 0 KKAAMN O=C(CN1C(=O)/C(=C\c2ccccc2Cl)Sc2ccccc21)NCCCN1CCN(c2ccc(F)cc2)CC1 ZINC000068244040 554538584 /nfs/dbraw/zinc/53/85/84/554538584.db2.gz SKEPGOHGQVXXOH-VFCFBJKWSA-N 0 1 565.114 5.287 50 0 KKAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Nc2nc(C)cc(N3CCCCC3)n2)cc1 ZINC000100957779 554540831 /nfs/dbraw/zinc/54/08/31/554540831.db2.gz AMGFGRWJFBMFCO-UHFFFAOYSA-N 0 1 546.491 5.481 50 0 KKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N21 ZINC000101064290 554570948 /nfs/dbraw/zinc/57/09/48/554570948.db2.gz HHQMTGCKXNUNFX-GSTLAZBSSA-N 0 1 527.418 5.320 50 0 KKAAMN Cc1cc2c(c(C)c1)NC(=O)[C@]21N2CCC[C@@H]2[C@@H](C(=O)c2ccc(Br)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000101064444 554571684 /nfs/dbraw/zinc/57/16/84/554571684.db2.gz JLEJNNHBBFNPSP-LZEUDMGESA-N 0 1 556.460 5.081 50 0 KKAAMN CCCc1ccc(C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccccc4C(C)=C[C@@H]3[C@]23c2ccccc2NC3=O)cc1 ZINC000101098039 554585142 /nfs/dbraw/zinc/58/51/42/554585142.db2.gz PSPQXTVPIFUNTA-JRLXJTRMSA-N 0 1 532.684 6.618 50 0 KKAAMN CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c1ccc(F)cc1)[C@]21C(=O)Nc2ccccc21 ZINC000101099843 554586624 /nfs/dbraw/zinc/58/66/24/554586624.db2.gz MLTJVINZDMTDMW-JVPIYLDOSA-N 0 1 508.593 5.804 50 0 KKAAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]2c2cccc(Br)c2)C1 ZINC000101100744 554587618 /nfs/dbraw/zinc/58/76/18/554587618.db2.gz YORFZYMACKSIIH-SANMLTNESA-N 0 1 585.329 9.254 50 0 KKAAMN COc1cc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C(C)C)cc(OC)c1OC ZINC000101101752 554638869 /nfs/dbraw/zinc/63/88/69/554638869.db2.gz JUSAXSLDWAPAGZ-DFXYEROKSA-N 0 1 526.633 6.919 50 0 KKAAMN CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(=C(O)c1ccc(F)cc1)[C@]21C(=O)Nc2ccccc21 ZINC000101114814 554642843 /nfs/dbraw/zinc/64/28/43/554642843.db2.gz RINIXDQMIPUUAD-WFPUBZAHSA-N 0 1 528.583 6.072 50 0 KKAAMN CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c1ccc(Cl)cc1)[C@]21C(=O)Nc2ccccc21 ZINC000101140355 554652946 /nfs/dbraw/zinc/65/29/46/554652946.db2.gz NEFDMADXSQLBSS-JVPIYLDOSA-N 0 1 525.048 6.319 50 0 KKAAMN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OCCC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000101168880 554661295 /nfs/dbraw/zinc/66/12/95/554661295.db2.gz YOUZGMQPDKYUSK-NLDZOOGBSA-N 0 1 530.621 5.714 50 0 KKAAMN CCCc1ccc(C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C=C[C@@H]3[C@]23c2ccccc2NC3=O)cc1 ZINC000101180853 554667149 /nfs/dbraw/zinc/66/71/49/554667149.db2.gz XHVBRGNDWWRRBB-JRLXJTRMSA-N 0 1 532.684 6.536 50 0 KKAAMN Cc1ccc(C(O)=C2[C@@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000101186514 554669214 /nfs/dbraw/zinc/66/92/14/554669214.db2.gz ITEQSXGFUXVWLH-QODLHPCFSA-N 0 1 516.622 5.913 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000101213087 554680510 /nfs/dbraw/zinc/68/05/10/554680510.db2.gz HOYVGSDKIFQSRO-XAEBNIDXSA-N 0 1 504.630 5.892 50 0 KKAAMN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCCN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000101216115 554682685 /nfs/dbraw/zinc/68/26/85/554682685.db2.gz AZIVGKYPGOXYBR-GDLZYMKVSA-N 0 1 621.804 5.099 50 0 KKAAMN COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCCN3CCN(c4cccc(Cl)c4)CC3)C2=S)cc1 ZINC000101216582 554684009 /nfs/dbraw/zinc/68/40/09/554684009.db2.gz QCJHFCOEPVAQCN-MUUNZHRXSA-N 0 1 610.155 5.031 50 0 KKAAMN O=C(C[C@@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1CCCN1CCN(Cc2ccccc2)CC1)Nc1ccc(Cl)cc1 ZINC000101254872 554695792 /nfs/dbraw/zinc/69/57/92/554695792.db2.gz YGRXXCIXRXTHJM-MUUNZHRXSA-N 0 1 610.611 5.532 50 0 KKAAMN CCOc1ccc(-c2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)c(-c3ccc(OC)c(OC)c3)[nH]2)cc1 ZINC000101305761 554715089 /nfs/dbraw/zinc/71/50/89/554715089.db2.gz NMRJYWDDNUWYSH-UHFFFAOYSA-N 0 1 547.633 5.662 50 0 KKAAMN Cc1cc(N2CCCCC2)nc2ccc(NC(=O)CCC(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)cc12 ZINC000101313908 554722541 /nfs/dbraw/zinc/72/25/41/554722541.db2.gz IIHJBXSRVGUWPK-UHFFFAOYSA-N 0 1 577.173 5.234 50 0 KKAAMN Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@@H]2C)c(C)c1 ZINC000101341572 554735608 /nfs/dbraw/zinc/73/56/08/554735608.db2.gz KUGOJTZHVXDPIL-IADCTJSHSA-N 0 1 569.768 5.072 50 0 KKAAMN O=C(c1ccco1)[C@H]1[C@@H](C(=O)c2cccs2)N2c3ccc(Cl)cc3C=C[C@H]2[C@]12C(=O)Nc1ccccc12 ZINC000101341958 554735886 /nfs/dbraw/zinc/73/58/86/554735886.db2.gz QOVJHQZGOYEURW-JLMYGFKKSA-N 0 1 527.001 5.851 50 0 KKAAMN O=C(c1ccco1)C1[C@@H](C(=O)c2cccs2)N2c3ccc(Cl)cc3C=C[C@H]2[C@]12C(=O)Nc1ccccc12 ZINC000101341958 554735887 /nfs/dbraw/zinc/73/58/87/554735887.db2.gz QOVJHQZGOYEURW-JLMYGFKKSA-N 0 1 527.001 5.851 50 0 KKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101377863 554747114 /nfs/dbraw/zinc/74/71/14/554747114.db2.gz ZZEIYOYISSKPHU-UKPGIYTDSA-N 0 1 554.643 6.681 50 0 KKAAMN COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)c2cccs2)cc1 ZINC000101386136 554751211 /nfs/dbraw/zinc/75/12/11/554751211.db2.gz ZYIVIWWGKCTDKF-QXNWPYRLSA-N 0 1 548.664 7.707 50 0 KKAAMN COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000101386536 554752368 /nfs/dbraw/zinc/75/23/68/554752368.db2.gz BNLXGGRSRUPKRW-DJUQAAIZSA-N 0 1 518.569 6.930 50 0 KKAAMN CCOc1cc([C@@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)ccc1OCc1ccc(Cl)cc1 ZINC000101404282 554761291 /nfs/dbraw/zinc/76/12/91/554761291.db2.gz VNRIIHUZWLGCAZ-SXSCYYOBSA-N 0 1 633.188 9.586 50 0 KKAAMN CCOc1cc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000101412287 554764244 /nfs/dbraw/zinc/76/42/44/554764244.db2.gz ZNQJKMLYAZTMHE-XOAACPPSSA-N 0 1 621.177 9.524 50 0 KKAAMN Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000101419386 554766943 /nfs/dbraw/zinc/76/69/43/554766943.db2.gz OEIPDKDJYDLMOY-UHFFFAOYSA-N 0 1 549.094 5.067 50 0 KKAAMN Cc1ccc(C)c(CN2c3ccccc3S/C(=C/c3ccc(C(=O)NCCN4CCN(Cc5ccccc5)CC4)cc3)C2=O)c1 ZINC000101425029 554768247 /nfs/dbraw/zinc/76/82/47/554768247.db2.gz UDSBQEPYPQZNIZ-YRRMYEEHSA-N 0 1 616.831 6.531 50 0 KKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000101428875 554769367 /nfs/dbraw/zinc/76/93/67/554769367.db2.gz ZKHYVCALIVDVKA-CHJDUVSTSA-N 0 1 510.590 6.442 50 0 KKAAMN COc1ccc(-n2nc(C(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)c3c4ccccc4n(C)c3c2=O)cc1Cl ZINC000101440902 554773115 /nfs/dbraw/zinc/77/31/15/554773115.db2.gz VSAJXGMHCYGSDG-UHFFFAOYSA-N 0 1 619.553 5.135 50 0 KKAAMN COc1cc([C@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)C2CC2)cc(OC)c1OC ZINC000101445843 554774067 /nfs/dbraw/zinc/77/40/67/554774067.db2.gz QFUKDADJYVPFSX-JMQGSBJISA-N 0 1 514.578 6.266 50 0 KKAAMN COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2Cl)cc1 ZINC000101464516 554780127 /nfs/dbraw/zinc/78/01/27/554780127.db2.gz MUALQOHBUAMJPW-CAQRMWTPSA-N 0 1 593.079 7.999 50 0 KKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@H]3c2cccc(OC)c2)cc1 ZINC000101465411 554780313 /nfs/dbraw/zinc/78/03/13/554780313.db2.gz MBWZHXKRDKYIJW-HPMVVLTCSA-N 0 1 530.624 7.568 50 0 KKAAMN CCOc1cc([C@@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1 ZINC000101477729 554782876 /nfs/dbraw/zinc/78/28/76/554782876.db2.gz OLYXMMKZOLFIFH-KWXDVARASA-N 0 1 607.150 9.196 50 0 KKAAMN O=C(Nc1ccc(Cl)c(Cl)c1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccc(F)c1 ZINC000101500069 554787818 /nfs/dbraw/zinc/78/78/18/554787818.db2.gz FJUHWHHYVCUXFY-JCOAXYOVSA-N 0 1 572.467 9.388 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000101500321 554788001 /nfs/dbraw/zinc/78/80/01/554788001.db2.gz RZVBAHBMPSPHAB-QJWGWKRISA-N 0 1 544.648 7.436 50 0 KKAAMN COCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COCc1ccco1 ZINC000101507056 554791157 /nfs/dbraw/zinc/79/11/57/554791157.db2.gz MLELMVZRPINDNJ-PMERELPUSA-N 0 1 589.777 5.546 50 0 KKAAMN Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)C[C@H]2C(=O)N(Cc3ccccc3)[C@@H](C)c3nc4ccccc4n32)CC1 ZINC000101507855 554791546 /nfs/dbraw/zinc/79/15/46/554791546.db2.gz QGBFDVONOCOSPV-FKAPRUDGSA-N 0 1 599.179 5.361 50 0 KKAAMN Cc1c(C(=O)NCCCN2CCN(c3cc(C)ccc3C)CC2)oc2c1-c1nn(Cc3ccc(C)cc3)cc1CC2 ZINC000101588639 554801657 /nfs/dbraw/zinc/80/16/57/554801657.db2.gz UVMNNYNEGQVOEV-UHFFFAOYSA-N 0 1 551.735 5.466 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@H]1N2[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c2ccc(CC(C)C)cc2)[C@@]12c1ccccc1NC2=O ZINC000101670909 554824142 /nfs/dbraw/zinc/82/41/42/554824142.db2.gz PPYQOMCAUXIBBA-IJIJIXBQSA-N 0 1 560.738 7.172 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000101672482 554826120 /nfs/dbraw/zinc/82/61/20/554826120.db2.gz HXMUMYVNZGBUIT-NLDZOOGBSA-N 0 1 585.454 6.088 50 0 KKAAMN CSc1ccc(NC(=O)CC[C@H]2C[N@H+](Cc3cccnc3)CC[C@H]2N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000101889691 554846217 /nfs/dbraw/zinc/84/62/17/554846217.db2.gz CUAGNCQUIQXJME-SETSBSEESA-N 0 1 597.751 6.254 50 0 KKAAMN Cc1cccc(N2CCN(Cc3cc(-c4cccs4)ccc3OCC(=O)NCc3nnc(-c4ccccc4)o3)CC2)c1C ZINC000101896950 554847131 /nfs/dbraw/zinc/84/71/31/554847131.db2.gz XCMPCNIVPYAZLJ-UHFFFAOYSA-N 0 1 593.753 6.099 50 0 KKAAMN COc1cc(C(=O)Oc2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CCN(C(C)C)C5)cc2)cc(OC)c1OC ZINC000101975956 554862815 /nfs/dbraw/zinc/86/28/15/554862815.db2.gz KCYDPBMBFFUBTM-VWLOTQADSA-N 0 1 537.638 5.189 50 0 KKAAMN Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)CC1 ZINC000101978791 554863421 /nfs/dbraw/zinc/86/34/21/554863421.db2.gz RKNHBRWTSPBISK-XZWHSSHBSA-N 0 1 579.210 5.975 50 0 KKAAMN CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2Cl)[C@H]3c2ccc(F)cc2)cc1 ZINC000102003850 554866695 /nfs/dbraw/zinc/86/66/95/554866695.db2.gz DCYHFXPFOLJRAD-WOPWWUTRSA-N 0 1 579.115 9.641 50 0 KKAAMN Cc1nn(-c2ccccc2)c(N2CCN(C)CC2)c1CN(CCC(C)C)C(=O)c1cccc(Br)c1 ZINC000102047882 554870498 /nfs/dbraw/zinc/87/04/98/554870498.db2.gz MGALWGGKBLXOJF-UHFFFAOYSA-N 0 1 538.534 5.384 50 0 KKAAMN CCN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccc(Br)cc4)c(OC)c2)N3)C1 ZINC000102099488 554881167 /nfs/dbraw/zinc/88/11/67/554881167.db2.gz XYWXOMDWPDAYOM-JOCHJYFZSA-N 0 1 542.455 5.545 50 0 KKAAMN CC(C)CN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1ccc(F)cc1 ZINC000102102928 554882087 /nfs/dbraw/zinc/88/20/87/554882087.db2.gz HSNCVHLMCFLWFX-UHFFFAOYSA-N 0 1 540.510 7.343 50 0 KKAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)c3cnn(-c4ccc(Cl)cc4)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1 ZINC000102130060 554884934 /nfs/dbraw/zinc/88/49/34/554884934.db2.gz OYUCBXIVAINNQQ-UHFFFAOYSA-N 0 1 635.253 6.199 50 0 KKAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1cc(Cl)ccc1C)C(c1ccc(Br)cc1)=N2 ZINC000102244055 554903306 /nfs/dbraw/zinc/90/33/06/554903306.db2.gz XDSOBLJWVHXUHY-UHFFFAOYSA-N 0 1 533.923 5.796 50 0 KKAAMN 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565.695 6.216 50 0 KKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000102515288 554947964 /nfs/dbraw/zinc/94/79/64/554947964.db2.gz DFBGZPKURYVVOG-VKGTZQKMSA-N 0 1 552.549 6.825 50 0 KKAAMN O=C(c1cccs1)[C@@H]1C(=C(O)c2ccc3c(c2)OCO3)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000102552221 554962602 /nfs/dbraw/zinc/96/26/02/554962602.db2.gz OCJPEGYJRYRTEI-QNNAYCHJSA-N 0 1 581.049 5.986 50 0 KKAAMN CCOc1cc([C@@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000102555786 554964299 /nfs/dbraw/zinc/96/42/99/554964299.db2.gz HUFSSWPPXLWONS-JBOQNHBVSA-N 0 1 555.030 6.369 50 0 KKAAMN COc1ccc(/C=C2\CN(C)CC3=C2N=C2SC=C(c4ccc5c(c4)OCCO5)N2[C@@H]3c2ccc(OC)cc2)cc1 ZINC000102629857 554989064 /nfs/dbraw/zinc/98/90/64/554989064.db2.gz QBDYNSSSZNIQSX-OZTMZFPKSA-N 0 1 565.695 6.216 50 0 KKAAMN COc1ccc([C@@H]2C3=C(C[C@@H](c4cccs4)CC3=O)Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000102640617 554990563 /nfs/dbraw/zinc/99/05/63/554990563.db2.gz 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50 0 KKAAMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CCCSc3nc4ccccc4s3)ccc2OC)cc1 ZINC000102994217 555194118 /nfs/dbraw/zinc/19/41/18/555194118.db2.gz MNHMKXNKCHGYHH-UHFFFAOYSA-N 0 1 557.719 6.015 50 0 KKAAMN O=C(CCCOc1ccccc1)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 ZINC000102994322 555194560 /nfs/dbraw/zinc/19/45/60/555194560.db2.gz RSRNLUGYLMOZIH-UHFFFAOYSA-N 0 1 523.836 5.701 50 0 KKAAMN O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1cccs1 ZINC000102999448 555199045 /nfs/dbraw/zinc/19/90/45/555199045.db2.gz BZFYZQYYBTUZSV-DEOSSOPVSA-N 0 1 613.548 6.317 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3cccc(C(C)=O)c3)C2=O)c1 ZINC000103005205 555203399 /nfs/dbraw/zinc/20/33/99/555203399.db2.gz PHIGTIGFTFXUAH-DIBXZPPDSA-N 0 1 567.623 5.339 50 0 KKAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C[C@@H](O)COCc1ccccc1 ZINC000103022013 555213362 /nfs/dbraw/zinc/21/33/62/555213362.db2.gz VIAUEWDTMOYEQE-AREMUKBSSA-N 0 1 536.072 5.559 50 0 KKAAMN 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HQROXIOTQPMRFB-HSZRJFAPSA-N 0 1 648.807 5.734 50 0 KKAAMN O=C1C(=Nc2ccc(I)cc2)C[C@H](c2cccc3ccccc32)N1c1ccc(I)cc1 ZINC000150408703 571481084 /nfs/dbraw/zinc/48/10/84/571481084.db2.gz PNUICNOQQXPKOP-RUZDIDTESA-N 0 1 628.251 7.133 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCCN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000150414327 571485174 /nfs/dbraw/zinc/48/51/74/571485174.db2.gz GJMZZOIHKBOMPD-SSEXGKCCSA-N 0 1 638.209 5.811 50 0 KKAAMN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000150414622 571485177 /nfs/dbraw/zinc/48/51/77/571485177.db2.gz ZGQCYVMPHDUMDP-HKBQPEDESA-N 0 1 659.878 5.124 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCCN2CCN(c3ccccc3)CC2)cc1 ZINC000150414538 571485197 /nfs/dbraw/zinc/48/51/97/571485197.db2.gz AJDHOFHQNNIJHY-JGCGQSQUSA-N 0 1 657.837 5.195 50 0 KKAAMN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000150418775 571486703 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Cc1ccc(C)c(CN2c3ccccc3S/C(=C\c3ccc(C(=O)NCCCN4CCN(c5cc(C)ccc5C)CC4)cc3)C2=O)c1 ZINC000150437836 571496846 /nfs/dbraw/zinc/49/68/46/571496846.db2.gz KWPFKCBYNRQFGG-HBAMXUDRSA-N 0 1 644.885 7.542 50 0 KKAAMN COc1cc([C@@H]2C3=C(C[C@@H](c4cccc(F)c4)CC3=O)Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000150439926 571497567 /nfs/dbraw/zinc/49/75/67/571497567.db2.gz BGYCHNWMNWNDNR-OGPYBGEISA-N 0 1 662.545 9.414 50 0 KKAAMN O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000150458945 571505507 /nfs/dbraw/zinc/50/55/07/571505507.db2.gz ZVDYAAKBZXORKX-XSVYLIDLSA-N 0 1 641.599 6.902 50 0 KKAAMN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)c(OC)cc2OC)c1 ZINC000150462359 571506545 /nfs/dbraw/zinc/50/65/45/571506545.db2.gz BJKRDNKTSWJRHE-GOSISDBHSA-N 0 1 673.165 6.247 50 0 KKAAMN O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)c2ccc(Cl)cc2)c1)NC(=O)c1ccccc1Cl ZINC000150500772 571518707 /nfs/dbraw/zinc/51/87/07/571518707.db2.gz YHVWMMOQRJBGPO-UHFFFAOYSA-N 0 1 631.921 6.156 50 0 KKAAMN O=C(NCc1ccco1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169681939 571557761 /nfs/dbraw/zinc/55/77/61/571557761.db2.gz PSYPOUXRHNSNTM-UPVQGACJSA-N 0 1 503.952 5.131 50 0 KKAAMN CN1CCN(c2nc3cc(Cl)ccc3c(-c3ccccc3)c2-c2cc(-c3ccccc3)c3ccc(Cl)cc3n2)CC1 ZINC000225565080 571927023 /nfs/dbraw/zinc/92/70/23/571927023.db2.gz RESNCZUNPJAMBM-UHFFFAOYSA-N 0 1 575.543 8.843 50 0 KKAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2coc3ccc(Cl)cc3c2=O)cc1OC ZINC000263585000 572116446 /nfs/dbraw/zinc/11/64/46/572116446.db2.gz CYOZNVDGDVQMSZ-OAHLLOKOSA-N 0 1 546.915 5.384 50 0 KKAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2ccc(OCC(C)C)c(OC)c2)cc1OC ZINC000263585565 572119332 /nfs/dbraw/zinc/11/93/32/572119332.db2.gz KCCLHZXDYJOFDN-LJQANCHMSA-N 0 1 546.572 5.667 50 0 KKAAMN COc1ccc(CCOc2ccc([C@@H]3CC(=O)Oc4cc(=O)c5c(O)c(-c6ccc(OC)c(OC)c6)coc-5c43)cc2OC)cc1 ZINC000263586616 572124163 /nfs/dbraw/zinc/12/41/63/572124163.db2.gz WEOYYXBDKGLNBJ-DEOSSOPVSA-N 0 1 624.642 6.263 50 0 KKAAMN CCCCCc1ccc(C(=O)[C@@H]2[C@H](C(C)=O)N3c4ccc(F)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000226837934 572143612 /nfs/dbraw/zinc/14/36/12/572143612.db2.gz UBMQMRFPLBZFGT-SAHGSRCJSA-N 0 1 522.620 6.121 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(C(=O)c3ccco3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4ccccc4N32)c1 ZINC000226856284 572144188 /nfs/dbraw/zinc/14/41/88/572144188.db2.gz SGSXNADEYJDAMK-CILKRHGOSA-N 0 1 530.580 5.534 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000227021065 572147383 /nfs/dbraw/zinc/14/73/83/572147383.db2.gz SHTPDBKUWALGMG-OYUWMTPXSA-N 0 1 565.464 6.078 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccc(C)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227029589 572148200 /nfs/dbraw/zinc/14/82/00/572148200.db2.gz XLSAZBIXAVSVIE-CSSWAUQYSA-N 0 1 587.119 7.457 50 0 KKAAMN COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000227081938 572149715 /nfs/dbraw/zinc/14/97/15/572149715.db2.gz TWMUDXNVQVFUQP-ZGIBFIJWSA-N 0 1 552.558 5.413 50 0 KKAAMN COc1ccc(OC)c(C(O)=C2[C@@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000227238537 572152153 /nfs/dbraw/zinc/15/21/53/572152153.db2.gz TXPDZRGFCPSHFU-UUQNIDNHSA-N 0 1 562.647 5.621 50 0 KKAAMN COc1ccc(OC)c(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000227241369 572152216 /nfs/dbraw/zinc/15/22/16/572152216.db2.gz MUNOBNJSMWTBIM-IRYJCKHSSA-N 0 1 564.682 5.991 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227240409 572152247 /nfs/dbraw/zinc/15/22/47/572152247.db2.gz VIQSGCVZJLASTE-NLVFCZGTSA-N 0 1 554.646 6.250 50 0 KKAAMN CCCCCc1ccc(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227240617 572152303 /nfs/dbraw/zinc/15/23/03/572152303.db2.gz CMMYHEXUPJBYIO-CSSWAUQYSA-N 0 1 586.757 7.727 50 0 KKAAMN Cc1ccc(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227242628 572152852 /nfs/dbraw/zinc/15/28/52/572152852.db2.gz MRBCRXCYBAFLPE-FFAHVWSXSA-N 0 1 551.067 6.566 50 0 KKAAMN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)COc5cc(O)c6c(=O)cc(-c7ccccc7)oc6c5)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 ZINC000229596133 572154629 /nfs/dbraw/zinc/15/46/29/572154629.db2.gz TVGNSDOGCLLGGR-XDOZCLENSA-N 0 1 694.953 10.888 50 0 biogenic KKAAMN Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C(=O)c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2CCCN21 ZINC000229852476 572160748 /nfs/dbraw/zinc/16/07/48/572160748.db2.gz YCCPIQFTOOLLBA-MSCJQJAMSA-N 0 1 532.427 5.316 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@H](C(=O)c3ccc(Br)cc3)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229866748 572162418 /nfs/dbraw/zinc/16/24/18/572162418.db2.gz HJLKJDMBLZZHSI-FJLMOIIKSA-N 0 1 617.543 7.258 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2[C@H](C(=O)OC(c3ccccc3)c3ccccc3)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000229870604 572163959 /nfs/dbraw/zinc/16/39/59/572163959.db2.gz QNJZVDBFOWNGGF-NXLUEKNWSA-N 0 1 632.716 7.001 50 0 KKAAMN CCCCCc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3F)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229908971 572168465 /nfs/dbraw/zinc/16/84/65/572168465.db2.gz IRKBDBGPVWPMLQ-OHVVKICRSA-N 0 1 584.691 7.415 50 0 KKAAMN COc1ccc(OC)c(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000229924700 572170489 /nfs/dbraw/zinc/17/04/89/572170489.db2.gz TXPDZRGFCPSHFU-UHLQNUQBSA-N 0 1 562.647 5.621 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229931236 572170907 /nfs/dbraw/zinc/17/09/07/572170907.db2.gz NXWDDGDDTWIZOE-CLWMVSBGSA-N 0 1 576.052 5.961 50 0 KKAAMN COc1cccc(C(O)=C2[C@H](C(=O)c3ccc(C)cc3)N3c4ccc(C)cc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000229934797 572171180 /nfs/dbraw/zinc/17/11/80/572171180.db2.gz NHZLMWWVCOLXJE-BEJGJRQXSA-N 0 1 568.673 6.558 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccc(C)cc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229945410 572172545 /nfs/dbraw/zinc/17/25/45/572172545.db2.gz IYAXPSHEPWJHMB-CLWMVSBGSA-N 0 1 560.675 6.311 50 0 KKAAMN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccc(CC(C)C)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000229981172 572176817 /nfs/dbraw/zinc/17/68/17/572176817.db2.gz VOGAWMZZDGLQNQ-IIVVFBBSSA-N 0 1 566.701 7.050 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000230019387 572179164 /nfs/dbraw/zinc/17/91/64/572179164.db2.gz NMKBECSUGZNALP-CLWMVSBGSA-N 0 1 544.676 6.557 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(=C(O)c1ccncc1)[C@@]21C(=O)Nc2ccccc21 ZINC000230023071 572179664 /nfs/dbraw/zinc/17/96/64/572179664.db2.gz MTZZNIYUKBMWAH-UODPJZIASA-N 0 1 511.581 5.328 50 0 KKAAMN Cc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3Cl)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000230189572 572184851 /nfs/dbraw/zinc/18/48/51/572184851.db2.gz HYGQBWAFLZQCDN-CLWMVSBGSA-N 0 1 545.038 6.505 50 0 KKAAMN CC(C)C[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccccc3F)C2=O)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 ZINC000245238016 572211536 /nfs/dbraw/zinc/21/15/36/572211536.db2.gz CTAJWSNPWCGOIY-LILGSFCHSA-N 0 1 532.015 5.045 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(=C(O)c2ccc3c(c2)OCO3)[C@@]12C(=O)Nc1ccccc12 ZINC000245245175 572217284 /nfs/dbraw/zinc/21/72/84/572217284.db2.gz BFOJAMMFFULLIJ-AOFBEVEVSA-N 0 1 574.658 6.031 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2C(=C(O)c3ccc4c(c3)OCO4)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000245245201 572217418 /nfs/dbraw/zinc/21/74/18/572217418.db2.gz BQTCEKOBHWDQGX-NXPJMSRNSA-N 0 1 582.656 6.278 50 0 KKAAMN CCCCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C(C)=C[C@@H]3[C@]23c2ccccc2NC3=O)cc1 ZINC000245245661 572217941 /nfs/dbraw/zinc/21/79/41/572217941.db2.gz FQWBONXCEUBIIV-NGUINGDESA-N 0 1 560.738 7.398 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccc(F)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)c1 ZINC000245245560 572217947 /nfs/dbraw/zinc/21/79/47/572217947.db2.gz DEQTWKLIPPVCOZ-FKGBSIOTSA-N 0 1 558.609 6.081 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccc(F)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)c1 ZINC000245245562 572217958 /nfs/dbraw/zinc/21/79/58/572217958.db2.gz DEQTWKLIPPVCOZ-RAESKKBESA-N 0 1 558.609 6.081 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)[C@H](C(=O)c1ccc(CC(C)C)cc1)[C@@]21C(=O)Nc2ccccc21 ZINC000245245682 572218004 /nfs/dbraw/zinc/21/80/04/572218004.db2.gz FXHZZFGCWKLNBS-RJISQBBCSA-N 0 1 572.730 7.193 50 0 KKAAMN CCCCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C=C[C@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000245246859 572220441 /nfs/dbraw/zinc/22/04/41/572220441.db2.gz PWNHKPOEKRXUKM-MHFPBVHJSA-N 0 1 560.738 7.316 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@H](C(=O)c2ccc(Br)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000245247235 572220760 /nfs/dbraw/zinc/22/07/60/572220760.db2.gz SILKXLCKTCBRLP-YENKVUBUSA-N 0 1 583.526 6.736 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccc(Cl)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000245247219 572220827 /nfs/dbraw/zinc/22/08/27/572220827.db2.gz SABPLPPUZHYNMI-OLBUMSFYSA-N 0 1 559.065 6.895 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc(Cl)cc1)C(=C(O)c1ccccc1)[C@@]21C(=O)Nc2ccccc21 ZINC000245309152 572226996 /nfs/dbraw/zinc/22/69/96/572226996.db2.gz BRXVSJPHZYSPQO-AOFBEVEVSA-N 0 1 545.038 6.586 50 0 KKAAMN COc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCN([C@H]3CCCc4ccccc43)CC2)cc1OC ZINC000245309687 572227440 /nfs/dbraw/zinc/22/74/40/572227440.db2.gz FLHKCCSOWHLZHB-NSOVKSMOSA-N 0 1 509.650 6.117 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2[C@H](C(C)=O)N3c4ccc5ccccc5c4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245312605 572229722 /nfs/dbraw/zinc/22/97/22/572229722.db2.gz WFTKIDHKJDWAQE-ZGDGUDBWSA-N 0 1 514.581 5.411 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(=C(O)c1ccccc1Cl)[C@]21C(=O)Nc2ccccc21 ZINC000245312634 572230093 /nfs/dbraw/zinc/23/00/93/572230093.db2.gz WRHSBJXEQMDBBO-ACIRYHQQSA-N 0 1 525.048 6.319 50 0 KKAAMN CCCCCc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000245325608 572232139 /nfs/dbraw/zinc/23/21/39/572232139.db2.gz GKEDSRMNCNPPAI-BQFNBOMDSA-N 0 1 580.728 7.666 50 0 KKAAMN Cc1ccc(C(O)=C2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccc(C)cc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245326094 572232522 /nfs/dbraw/zinc/23/25/22/572232522.db2.gz IZNQXJDTNLMEAP-ZPNDBRHUSA-N 0 1 559.065 6.813 50 0 KKAAMN CCCCCc1ccc(C(O)=C2[C@H](C(=O)c3ccc(OC(C)=O)cc3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000245327310 572233645 /nfs/dbraw/zinc/23/36/45/572233645.db2.gz ODLMDFGRYDHVQJ-YIJKKJBMSA-N 0 1 624.737 7.201 50 0 KKAAMN CCCC[C@H](CC)C(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)C[C@@H]1C ZINC000245327888 572234363 /nfs/dbraw/zinc/23/43/63/572234363.db2.gz KVPAGDBGALSPGE-RXYILKCJSA-N 0 1 513.723 5.501 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccc(C)cc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245329063 572235281 /nfs/dbraw/zinc/23/52/81/572235281.db2.gz XLSAZBIXAVSVIE-DQGIEBHESA-N 0 1 587.119 7.457 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@H](C(=O)c3cccc(OC)c3)N3c4ccccc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245329461 572235551 /nfs/dbraw/zinc/23/55/51/572235551.db2.gz ZFQGJWRMPKSSCL-XGHZCBFSSA-N 0 1 582.700 6.894 50 0 KKAAMN O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247459537 572242187 /nfs/dbraw/zinc/24/21/87/572242187.db2.gz AIWYYYCARYHFNE-QGZVFWFLSA-N 0 1 558.307 6.946 50 0 KKAAMN O=C(NCCc1ccc(Cl)cc1)[C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247465558 572242607 /nfs/dbraw/zinc/24/26/07/572242607.db2.gz CLSFPNBTWDUAFM-NRFANRHFSA-N 0 1 551.916 6.012 50 0 KKAAMN O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247520223 572242908 /nfs/dbraw/zinc/24/29/08/572242908.db2.gz XDXKPCHNAYDVIP-QGZVFWFLSA-N 0 1 541.852 6.431 50 0 KKAAMN O=C(NCc1ccc(Br)cc1)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)C1 ZINC000247521098 572242992 /nfs/dbraw/zinc/24/29/92/572242992.db2.gz XJAXTKHHAOUVRO-HXUWFJFHSA-N 0 1 521.434 5.456 50 0 KKAAMN O=C(Nc1cccc2ccccc21)[C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247742900 572243992 /nfs/dbraw/zinc/24/39/92/572243992.db2.gz OPYPFEKLSGKYMJ-QFIPXVFZSA-N 0 1 539.477 6.792 50 0 KKAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000247844060 572245895 /nfs/dbraw/zinc/24/58/95/572245895.db2.gz GJVFSMLZEQNNMY-HSZRJFAPSA-N 0 1 596.990 6.606 50 0 KKAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2ccccc2F)CC1 ZINC000247843923 572245942 /nfs/dbraw/zinc/24/59/42/572245942.db2.gz GGSRWZRZRFUYOE-JOCHJYFZSA-N 0 1 576.514 5.488 50 0 KKAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccc(F)c(Cl)c2)CC1 ZINC000247840036 572246060 /nfs/dbraw/zinc/24/60/60/572246060.db2.gz FBBBCXJDCSHISH-NRFANRHFSA-N 0 1 550.053 5.518 50 0 KKAAMN Cc1cccc(C)c1NC(=O)[C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247859878 572246599 /nfs/dbraw/zinc/24/65/99/572246599.db2.gz FLEKPJOCEPAEQM-NRFANRHFSA-N 0 1 517.471 6.256 50 0 KKAAMN Cc1ccc(C)c(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)c1 ZINC000247868727 572247108 /nfs/dbraw/zinc/24/71/08/572247108.db2.gz KFTKQTUFVJDYIC-RUZDIDTESA-N 0 1 586.578 5.966 50 0 KKAAMN Cc1cccc(C)c1N1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000247877321 572248134 /nfs/dbraw/zinc/24/81/34/572248134.db2.gz PMCYWPUHFDUGMA-VWLOTQADSA-N 0 1 586.578 5.966 50 0 KKAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000247881354 572248148 /nfs/dbraw/zinc/24/81/48/572248148.db2.gz VSTNZVKJBSORHU-QFIPXVFZSA-N 0 1 592.969 6.002 50 0 KKAAMN Cc1cccc(CNC(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)c1 ZINC000247883237 572248244 /nfs/dbraw/zinc/24/82/44/572248244.db2.gz CPRRMBIJIPEBQQ-QFIPXVFZSA-N 0 1 517.471 5.625 50 0 KKAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccccc2Cl)CC1 ZINC000247886027 572248429 /nfs/dbraw/zinc/24/84/29/572248429.db2.gz XASKZFJFCPBLEN-QFIPXVFZSA-N 0 1 532.063 5.379 50 0 KKAAMN COc1ccc(Cn2c(CN3CCC[C@H](C(=O)NCc4ccccc4Cl)C3)nc3ccccc32)cc1 ZINC000247894842 572248706 /nfs/dbraw/zinc/24/87/06/572248706.db2.gz OHAIOGMPTPMDOG-QHCPKHFHSA-N 0 1 503.046 5.275 50 0 KKAAMN Cc1cccc(CNC(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)c1 ZINC000247948245 572250314 /nfs/dbraw/zinc/25/03/14/572250314.db2.gz XGINBDOLEJQQDD-QFIPXVFZSA-N 0 1 517.471 5.625 50 0 KKAAMN Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)cc1 ZINC000247991614 572251482 /nfs/dbraw/zinc/25/14/82/572251482.db2.gz MXMCPJURABYYMV-HXUWFJFHSA-N 0 1 503.444 5.947 50 0 KKAAMN CC(C)n1c2ccccc2nc1CN1CCC[C@H](C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C1 ZINC000247988390 572251530 /nfs/dbraw/zinc/25/15/30/572251530.db2.gz JJRCCTFTUSETBN-FQEVSTJZSA-N 0 1 542.511 5.121 50 0 KKAAMN CC(C)n1c2ccccc2nc1CN1CCC[C@H](C(=O)N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000247991699 572251612 /nfs/dbraw/zinc/25/16/12/572251612.db2.gz KORTZXONCHZICR-NRFANRHFSA-N 0 1 542.511 5.121 50 0 KKAAMN CC1=NN(c2ccccc2)C(=O)[C@]12Cc1cc(C(F)(F)F)ccc1N1CCN(Cc3ccccc3)C[C@H]12 ZINC000248012040 572252354 /nfs/dbraw/zinc/25/23/54/572252354.db2.gz JGIYYOLCDWVHMV-XTEPFMGCSA-N 0 1 504.556 5.361 50 0 KKAAMN CC[C@H](C(=O)N1CCCN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000248077875 572253243 /nfs/dbraw/zinc/25/32/43/572253243.db2.gz IYXQGTVXRXKXOE-SUYBVONHSA-N 0 1 529.750 5.649 50 0 KKAAMN Cc1ccc(CNC(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1 ZINC000248086067 572253330 /nfs/dbraw/zinc/25/33/30/572253330.db2.gz KEFBMZZMVLUURB-JOCHJYFZSA-N 0 1 517.471 5.625 50 0 KKAAMN Cc1ccccc1N1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000248093338 572253370 /nfs/dbraw/zinc/25/33/70/572253370.db2.gz HQAQLDQKVYVYTP-SANMLTNESA-N 0 1 542.127 5.607 50 0 KKAAMN Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)c1 ZINC000248099149 572253575 /nfs/dbraw/zinc/25/35/75/572253575.db2.gz JCJIPFFRMYUZOL-AREMUKBSSA-N 0 1 542.127 5.607 50 0 KKAAMN Cc1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)cc1C ZINC000248132984 572254794 /nfs/dbraw/zinc/25/47/94/572254794.db2.gz BPFBNZZXKCDZEN-VWLOTQADSA-N 0 1 586.578 5.966 50 0 KKAAMN Cc1ccc(N2CCN(C(=O)[C@H]3CCCN(Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)cc1C ZINC000248132984 572254795 /nfs/dbraw/zinc/25/47/95/572254795.db2.gz BPFBNZZXKCDZEN-VWLOTQADSA-N 0 1 586.578 5.966 50 0 KKAAMN Cc1ccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)cc1C ZINC000248149074 572255612 /nfs/dbraw/zinc/25/56/12/572255612.db2.gz IZDXSWVXMTVZCC-RUZDIDTESA-N 0 1 586.578 5.966 50 0 KKAAMN CC(C)Cc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000248196107 572256526 /nfs/dbraw/zinc/25/65/26/572256526.db2.gz PRZDKXSSSNBCCY-DQGIEBHESA-N 0 1 552.674 6.741 50 0 KKAAMN CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4cc(C(F)(F)F)ccc4N4CCN(Cc5ccccc5)C[C@H]43)C2=O)cc1 ZINC000248323287 572258029 /nfs/dbraw/zinc/25/80/29/572258029.db2.gz XOOCRHPVAVPKRB-QCENPCRXSA-N 0 1 576.619 5.538 50 0 KKAAMN Cc1ccc2c(c1C)NC(=O)[C@@]21[N@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc(Br)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000248329687 572258167 /nfs/dbraw/zinc/25/81/67/572258167.db2.gz DSFLXWSYLKLABO-PEMRLZPOSA-N 0 1 556.460 5.081 50 0 KKAAMN Cc1ccc2c(c1C)NC(=O)[C@@]21N2CCC[C@@H]2[C@H](C(=O)c2ccc(Br)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000248329687 572258168 /nfs/dbraw/zinc/25/81/68/572258168.db2.gz DSFLXWSYLKLABO-PEMRLZPOSA-N 0 1 556.460 5.081 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(=C(O)c1ccncc1)[C@@]21C(=O)Nc2ccccc21 ZINC000248335226 572258313 /nfs/dbraw/zinc/25/83/13/572258313.db2.gz MTZZNIYUKBMWAH-CILKRHGOSA-N 0 1 511.581 5.328 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(=C(O)c1ccc(CC(C)C)cc1)[C@@]21C(=O)Nc2ccccc21 ZINC000248338200 572258356 /nfs/dbraw/zinc/25/83/56/572258356.db2.gz QYLVZMIETVLXEO-QFOROZRWSA-N 0 1 566.701 7.131 50 0 KKAAMN CCCCCN1[C@H](c2ccc(OC)cc2OC)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]2[C@@]12CC(=O)N(c1ccc(C)cc1)C2=O ZINC000249800750 572258820 /nfs/dbraw/zinc/25/88/20/572258820.db2.gz NCFFNJNNMLKHOL-NLVFCZGTSA-N 0 1 609.723 5.376 50 0 KKAAMN CCc1ccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4Cc4ccc(OC)cc4)C3)CC2)cc1 ZINC000251975188 572259633 /nfs/dbraw/zinc/25/96/33/572259633.db2.gz DEDUOBRMIYYFDG-MUUNZHRXSA-N 0 1 551.735 5.216 50 0 KKAAMN CCc1ccccc1NC(=O)[C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000252011065 572259647 /nfs/dbraw/zinc/25/96/47/572259647.db2.gz SBTGKISUTXKMIF-NRFANRHFSA-N 0 1 517.471 6.201 50 0 KKAAMN CCc1cccc2c1NC(=O)[C@@]21N2CCC[C@@H]2[C@H](C(=O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000252006914 572259655 /nfs/dbraw/zinc/25/96/55/572259655.db2.gz PJAKLDZWFIABNU-IPMXHECSSA-N 0 1 556.460 5.026 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@H](C(=O)c3ccc(Br)cc3)N3c4ccccc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000252157622 572259947 /nfs/dbraw/zinc/25/99/47/572259947.db2.gz HJLKJDMBLZZHSI-GSFCIGPDSA-N 0 1 617.543 7.258 50 0 KKAAMN CNC(c1ccccc1)(c1ccccc1)c1ccccc1N(C)C(=O)c1cc(OC)c2c(c1OC)OCO2 ZINC000252488486 572261624 /nfs/dbraw/zinc/26/16/24/572261624.db2.gz ISYIVBDRRKYELA-UHFFFAOYSA-N 0 1 510.590 5.220 50 0 KKAAMN COc1cc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(Cl)cc5)coc-4c32)cc2c1OCCO2 ZINC000253397888 572284256 /nfs/dbraw/zinc/28/42/56/572284256.db2.gz BQXCRGMFSCPDOG-INIZCTEOSA-N 0 1 506.894 5.040 50 0 KKAAMN COc1cc([C@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(Cl)cc5)coc-4c32)cc(OC)c1OC ZINC000253413469 572288530 /nfs/dbraw/zinc/28/85/30/572288530.db2.gz UVYZOFJZRXIVHO-MRXNPFEDSA-N 0 1 508.910 5.286 50 0 KKAAMN COc1cc([C@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)ccc1OCCc1ccc2c(c1)CCO2 ZINC000253414627 572289008 /nfs/dbraw/zinc/28/90/08/572289008.db2.gz XZTNROBQGPRVSA-OAQYLSRUSA-N 0 1 556.567 5.016 50 0 KKAAMN Cc1ccc(C)c(NC(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)c1 ZINC000253479737 572289993 /nfs/dbraw/zinc/28/99/93/572289993.db2.gz RZQOIBNBFRAMJW-NRFANRHFSA-N 0 1 517.471 6.256 50 0 KKAAMN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccc(CC(C)C)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000253488020 572291136 /nfs/dbraw/zinc/29/11/36/572291136.db2.gz VOGAWMZZDGLQNQ-QFOROZRWSA-N 0 1 566.701 7.050 50 0 KKAAMN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccc3c(c2)OCO3)[C@@]12C(=O)Nc1ccccc12 ZINC000253488127 572291294 /nfs/dbraw/zinc/29/12/94/572291294.db2.gz XPLLHDKAEAOFPM-DDWAFBAVSA-N 0 1 554.602 5.580 50 0 KKAAMN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)COc5cc(O)c6c(=O)cc(-c7ccccc7)oc6c5)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253497356 572292010 /nfs/dbraw/zinc/29/20/10/572292010.db2.gz WXIZXILJEQMMHV-XSJLNCGTSA-N 0 1 680.926 10.498 50 0 KKAAMN COc1ccc(Cn2c(CN3CCC[C@@H](C(=O)N4CCN(c5ccccc5C(C)C)CC4)C3)nc3ccccc32)cc1 ZINC000253607301 572300884 /nfs/dbraw/zinc/30/08/84/572300884.db2.gz JIGQNJSRPRNCGE-MUUNZHRXSA-N 0 1 565.762 5.777 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C(=O)Nc3ccc4nc(CC(C)C)[nH]c4c3)C(C)C)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409413486 1069809806 /nfs/dbraw/zinc/80/98/06/1069809806.db2.gz MORUMOGZYRQVLQ-OOXUFLSTSA-N 0 1 655.796 6.013 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)Nc3ccc4nc(CC(C)C)[nH]c4c3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409413471 1069809859 /nfs/dbraw/zinc/80/98/59/1069809859.db2.gz MNQVJEHJGGGQTR-MUUNZHRXSA-N 0 1 669.823 6.549 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)Nc3ccc4nc(CC(C)C)[nH]c4c3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409415061 1069811928 /nfs/dbraw/zinc/81/19/28/1069811928.db2.gz SEBFBXMKTLJSTB-UQBPGWFLSA-N 0 1 627.742 5.377 50 0 KKAAMN COC(=O)C[C@@H](c1ccc(C(C)C)cc1)c1c(O)c(C(C)=O)cc([C@H]2OCc3cnc(C)c(O)c32)c1O ZINC000524730179 1069831998 /nfs/dbraw/zinc/83/19/98/1069831998.db2.gz YOFFZPHGIPRJHC-KCWXNJEJSA-N 0 1 505.567 5.147 50 0 KKAAMN Cc1nc(C(=O)N2CCCC[C@H]2CCOc2cccc(CN3CCN(c4cccc(Cl)c4)CC3)c2)cs1 ZINC000102282626 1069853427 /nfs/dbraw/zinc/85/34/27/1069853427.db2.gz BPOHXWYMNHVMEV-VWLOTQADSA-N 0 1 539.145 5.891 50 0 KKAAMN Cc1cc(C)n(CC(=O)N2CCCC[C@@H]2CCOc2cccc(CN3CCN(c4cccc(Cl)c4)CC3)c2)n1 ZINC000299787799 1071049367 /nfs/dbraw/zinc/04/93/67/1071049367.db2.gz QOEBJEPIHIIGQE-MUUNZHRXSA-N 0 1 550.147 5.326 50 0 KKAAMN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c(CCc2ccc(OC)c(OC)c2)n1 ZINC000888089854 1071062594 /nfs/dbraw/zinc/06/25/94/1071062594.db2.gz KYPPZUHEYJBGDV-UKWFVQMLSA-N 0 1 728.847 5.249 50 0 KKAAMN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(CCc2ccc(OC)c(OC)c2)n[nH]1 ZINC000888089854 1071062601 /nfs/dbraw/zinc/06/26/01/1071062601.db2.gz KYPPZUHEYJBGDV-UKWFVQMLSA-N 0 1 728.847 5.249 50 0 KKAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(-c2cc3ccccc3[nH]2)n[nH]1 ZINC000888090268 1071063264 /nfs/dbraw/zinc/06/32/64/1071063264.db2.gz PGERWJLHYICYQT-AGIQITRISA-N 0 1 679.778 5.595 50 0 KKAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(-c2ccccc2)n[nH]1 ZINC000888089417 1071060549 /nfs/dbraw/zinc/06/05/49/1071060549.db2.gz AUPVMVUPRQOWCR-VSBMSIFKSA-N 0 1 640.741 5.113 50 0 KKAAMN COC(=O)C[C@H](c1ccc(-c2ccc(Cl)cc2Cl)o1)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O ZINC000888090368 1071064896 /nfs/dbraw/zinc/06/48/96/1071064896.db2.gz VHLTYTWMMPZSRE-GOSISDBHSA-N 0 1 516.381 5.090 50 0 KKAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=O)/C=C\c2ccc(OC)cc2)cc1 ZINC000102995011 1071081407 /nfs/dbraw/zinc/08/14/07/1071081407.db2.gz ZVTRFSDXJZDYNL-UUASQNMZSA-N 0 1 531.428 5.309 50 0 KKAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=O)/C=C\c2ccccc2Cl)cc1 ZINC000102995005 1071081465 /nfs/dbraw/zinc/08/14/65/1071081465.db2.gz BOKHIVYZLHBARI-AUWJEWJLSA-N 0 1 535.847 5.954 50 0 KKAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2ccc(OC)c(OCCc3ccc4c(c3)CCO4)c2)cc1OC ZINC000263584738 1071122921 /nfs/dbraw/zinc/12/29/21/1071122921.db2.gz AAPMXCPHQXRDFG-XMMPIXPASA-N 0 1 636.653 6.189 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@H]1N2[C@H](C(=O)c2cccs2)[C@@H](C(=O)c2ccc(CC(C)C)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000604419539 1071275387 /nfs/dbraw/zinc/27/53/87/1071275387.db2.gz BLSQYLSYJNHYJG-JMNGKNCGSA-N 0 1 586.757 7.501 50 0 KKAAMN CCOC(=O)c1ccc(NC=C2c3ccccc3C(=O)N(c3cccc(S(=O)(=O)Nc4ccccc4OC)c3)C2=O)cc1 ZINC000102256229 1071302209 /nfs/dbraw/zinc/30/22/09/1071302209.db2.gz DBQLVGRQQMTCHO-OOAXWGSJSA-N 0 1 597.649 5.313 50 0 KKAAMN CCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 ZINC000254295417 1072844841 /nfs/dbraw/zinc/84/48/41/1072844841.db2.gz AGURGOLOJUIYBC-KAJIUBQISA-N 0 1 586.533 6.191 50 0 KKAAMN Cc1cc(C=N/N=C2\NC(=O)C(Cc3ccc(SC(F)F)cc3)S2)c(C)n1-c1ccc(Br)cc1 ZINC000254303704 1072845835 /nfs/dbraw/zinc/84/58/35/1072845835.db2.gz YMPDNFCMYDPLFT-NRFANRHFSA-N 0 1 563.493 6.336 50 0 KKAAMN CCCCOc1ccc(CN=Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2[N+](=O)[O-])cc1 ZINC000254485167 1072857874 /nfs/dbraw/zinc/85/78/74/1072857874.db2.gz ICZGDNVSNYSVPT-UHFFFAOYSA-N 0 1 502.980 5.674 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1ccc(NN=C2c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)c([N+](=O)[O-])c1 ZINC000254627182 1072868138 /nfs/dbraw/zinc/86/81/38/1072868138.db2.gz PHZQQACEYBFCCT-UHFFFAOYSA-N 0 1 592.033 5.421 50 0 KKAAMN CCOc1ccc(NS(=O)(=O)c2cc(N=Cc3ccc(C(=O)OC)cc3)ccc2OC)cc1Br ZINC000254627500 1072868886 /nfs/dbraw/zinc/86/88/86/1072868886.db2.gz LSCWUDCDSZYECJ-UHFFFAOYSA-N 0 1 547.427 5.194 50 0 KKAAMN Cc1ccc(N=Nc2cc(C)ccc2NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000254711438 1072871917 /nfs/dbraw/zinc/87/19/17/1072871917.db2.gz ORASYSSTOPWEKT-UHFFFAOYSA-N 0 1 563.477 7.534 50 0 KKAAMN C=C(C)CN=c1scc(-c2ccccc2)n1N=Cc1cc(Br)cc(Br)c1O ZINC000254873450 1072887792 /nfs/dbraw/zinc/88/77/92/1072887792.db2.gz 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COc1cccc2c1OC1(CCN(Cc3ccccc3)CC1)N1N=C(c3ccccc3OC(F)F)C[C@@H]21 ZINC000009042259 553202506 /nfs/dbraw/zinc/20/25/06/553202506.db2.gz DVYGXYXQEZBGQB-DEOSSOPVSA-N 0 1 505.565 5.832 50 0 KKAAMN CC(C)(C)C(=O)[C@@H]1[C@@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000009111388 553210602 /nfs/dbraw/zinc/21/06/02/553210602.db2.gz POGLVPOVFGUXSU-SQRAXXTESA-N 0 1 511.021 5.928 50 0 KKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(C)cc(C)c4O)c3[C@H]2c2cccc(Cl)c2)cc1OC ZINC000009123899 553212622 /nfs/dbraw/zinc/21/26/22/553212622.db2.gz XORIDVCYIHTBED-HHHXNRCGSA-N 0 1 518.013 5.858 50 0 KKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(C)cc(C)c4O)c3[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000009123993 553212877 /nfs/dbraw/zinc/21/28/77/553212877.db2.gz VKVSZPROIHZFNI-MHZLTWQESA-N 0 1 518.013 5.858 50 0 KKAAMN CCCOc1ccc(-c2csc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(C)cc3)n2)cc1 ZINC000009354791 553246217 /nfs/dbraw/zinc/24/62/17/553246217.db2.gz QAYYCPDWCJALCC-UHFFFAOYSA-N 0 1 507.637 5.960 50 0 KKAAMN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2N2CCN(C)CC2)[C@H]1c1cccs1 ZINC000009407161 553256837 /nfs/dbraw/zinc/25/68/37/553256837.db2.gz JFCRYKAWSJNCRD-RRPNLBNLSA-N 0 1 502.684 5.075 50 0 KKAAMN CN1CCN(c2ccccc2NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)[C@H]2c2cccs2)CC1 ZINC000009407214 553257020 /nfs/dbraw/zinc/25/70/20/553257020.db2.gz UIIJHNXJGYOHPP-NSOVKSMOSA-N 0 1 514.695 5.362 50 0 KKAAMN CCCCN(CCNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1)Cc1ccco1 ZINC000009433330 553263169 /nfs/dbraw/zinc/26/31/69/553263169.db2.gz ALWRIKVPWYIDRQ-RRPNLBNLSA-N 0 1 507.700 5.696 50 0 KKAAMN O=C(OCc1nc2cc(Cc3ccc4nc(COC(=O)C5CCCCC5)[nH]c4c3)ccc2[nH]1)C1CCCCC1 ZINC000009434182 553263788 /nfs/dbraw/zinc/26/37/88/553263788.db2.gz VEQCEELLBVBVGZ-UHFFFAOYSA-N 0 1 528.653 6.277 50 0 KKAAMN O=C(OCc1nc2ccc(Cc3ccc4nc(COC(=O)C5CCCCC5)[nH]c4c3)cc2[nH]1)C1CCCCC1 ZINC000009434182 553263789 /nfs/dbraw/zinc/26/37/89/553263789.db2.gz VEQCEELLBVBVGZ-UHFFFAOYSA-N 0 1 528.653 6.277 50 0 KKAAMN CCOc1ccc(-c2cc(C(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)c3ccccc3n2)cc1 ZINC000009490878 553274267 /nfs/dbraw/zinc/27/42/67/553274267.db2.gz QUFCNMSPKDXFSS-UHFFFAOYSA-N 0 1 529.084 5.896 50 0 KKAAMN COc1ccccc1C1c2c(C)nn(-c3ccccc3)c2Oc2ncn3nc(-c4ccccc4C)nc3c21 ZINC000009510480 553276227 /nfs/dbraw/zinc/27/62/27/553276227.db2.gz MBPOAKNZBVEKPK-RUZDIDTESA-N 0 1 500.562 5.888 50 0 KKAAMN O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(=O)N1c1ccc2nc(C=Cc3ccccc3)[nH]c2c1 ZINC000009529324 553277116 /nfs/dbraw/zinc/27/71/16/553277116.db2.gz KIXMJUYJBSPOEB-RMKNXTFCSA-N 0 1 503.172 7.148 50 0 KKAAMN CCc1ccc([C@@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000009540764 553277777 /nfs/dbraw/zinc/27/77/77/553277777.db2.gz FNYXOXDQQPHAKX-MUUNZHRXSA-N 0 1 502.014 6.103 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5cccc(C)c5)nc4c32)cc1 ZINC000009583950 553282341 /nfs/dbraw/zinc/28/23/41/553282341.db2.gz MYUXMRGFPRDPEF-VWLOTQADSA-N 0 1 500.562 5.888 50 0 KKAAMN O=C(Nc1ccc2nc(-c3cccnc3)[nH]c2c1)[C@H](CSCc1ccccc1)N1Cc2ccccc2C1=O ZINC000009609009 553287793 /nfs/dbraw/zinc/28/77/93/553287793.db2.gz PBNDAIDRUGBZBZ-MHZLTWQESA-N 0 1 519.630 5.521 50 0 KKAAMN COc1cc(-c2nc(-c3ccc(Cl)cc3)c(SCC(=O)Nc3nccs3)[nH]2)cc(OC)c1OC ZINC000009674143 553294759 /nfs/dbraw/zinc/29/47/59/553294759.db2.gz OCYMKDSWDZSCHB-UHFFFAOYSA-N 0 1 517.032 5.610 50 0 KKAAMN CCCCOc1ccc([C@@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000009778690 553307149 /nfs/dbraw/zinc/30/71/49/553307149.db2.gz BRVNEVTWOBUOSU-DNQXCXABSA-N 0 1 519.395 5.381 50 0 KKAAMN CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000010059885 553327461 /nfs/dbraw/zinc/32/74/61/553327461.db2.gz XZIJEGHTRSABLJ-UHFFFAOYSA-N 0 1 502.398 5.434 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1N1CCCCC1 ZINC000012562472 553394913 /nfs/dbraw/zinc/39/49/13/553394913.db2.gz GDMZMAVZCFROIO-UHFFFAOYSA-N 0 1 515.035 5.784 50 0 KKAAMN COc1cc2nc(SCc3ccccc3C(F)(F)F)n3c(CC4CCCCC4)c(O)nc3c2cc1OC ZINC000012951523 553428681 /nfs/dbraw/zinc/42/86/81/553428681.db2.gz RTGFKCUIBSBSHR-OAQYLSRUSA-N 0 1 531.600 6.585 50 0 KKAAMN COc1cc2nc(SCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n3c(Cc4ccccc4)c(O)nc3c2cc1OC ZINC000012951551 553428727 /nfs/dbraw/zinc/42/87/27/553428727.db2.gz NSISPBRRCWNLLL-OAQYLSRUSA-N 0 1 593.549 6.876 50 0 KKAAMN COC(=O)c1cc(Br)ccc1NS(=O)(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000013133938 553451809 /nfs/dbraw/zinc/45/18/09/553451809.db2.gz ILQDUDCADWIZLZ-UHFFFAOYSA-N 0 1 504.446 5.504 50 0 KKAAMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCCCC4)cc3)c(Cl)cc2Cl)c1 ZINC000013145744 553454851 /nfs/dbraw/zinc/45/48/51/553454851.db2.gz ATRZOKDSHZQOSX-UHFFFAOYSA-N 0 1 518.466 6.345 50 0 KKAAMN Brc1ccc(N=[P@@](c2ccccc2)([C@H]2CCCC=C2N2CCOCC2)N2CCOCC2)cc1 ZINC000013301182 553457815 /nfs/dbraw/zinc/45/78/15/553457815.db2.gz BHWBEBOUVXNHCN-OOOSNSGVSA-N 0 1 530.447 5.623 50 0 KKAAMN CN(Cc1cnn(C)c1)Cc1ccc(OC2CCN(C(=O)c3ccc(-c4cccc(F)c4)cc3)CC2)cc1 ZINC000014984667 553523594 /nfs/dbraw/zinc/52/35/94/553523594.db2.gz LYZMPASCGIZUGO-UHFFFAOYSA-N 0 1 512.629 5.542 50 0 KKAAMN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccccc1C(=O)OCC(=O)N1c2ccccc2C[C@H]1C ZINC000015911711 553541461 /nfs/dbraw/zinc/54/14/61/553541461.db2.gz XLDMKRMOWDHESS-HXUWFJFHSA-N 0 1 520.651 5.228 50 0 KKAAMN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccccc1C(=O)OCC(=O)N1c2ccccc2C[C@@H]1C ZINC000015911713 553541492 /nfs/dbraw/zinc/54/14/92/553541492.db2.gz XLDMKRMOWDHESS-FQEVSTJZSA-N 0 1 520.651 5.228 50 0 KKAAMN COc1ccc(OC)c(NC(=O)c2c(NC(=O)CNCc3ccccc3)sc3c2CC[C@H](C(C)(C)C)C3)c1 ZINC000015945904 553544180 /nfs/dbraw/zinc/54/41/80/553544180.db2.gz GFADXQKLFNGACF-FQEVSTJZSA-N 0 1 535.710 5.897 50 0 KKAAMN CCN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccc(Cl)cc4Cl)cc2)N3)C1 ZINC000015947275 553545156 /nfs/dbraw/zinc/54/51/56/553545156.db2.gz PCJZLEHPKDVDPF-OAQYLSRUSA-N 0 1 502.423 6.081 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000016038365 553552578 /nfs/dbraw/zinc/55/25/78/553552578.db2.gz NZRGXNYNQIZRMS-QAZWXMQQSA-N 0 1 506.602 5.284 50 0 KKAAMN CCOc1cc(CN[C@H](C)c2ccccc2)c(Br)cc1OCC(=O)NCCc1ccccc1 ZINC000016382362 553561544 /nfs/dbraw/zinc/56/15/44/553561544.db2.gz HBBZQSSQDJLBIR-HXUWFJFHSA-N 0 1 511.460 5.436 50 0 KKAAMN COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccc(Nc2nc(C)cc(Nc3ccccc3)n2)cc1 ZINC000017010301 553586112 /nfs/dbraw/zinc/58/61/12/553586112.db2.gz JBBWHEXLIFXXGX-UHFFFAOYSA-N 0 1 510.019 6.043 50 0 KKAAMN COc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(Nc2nc(C)cc(N3CCCCC3)n2)cc1 ZINC000017013644 553586297 /nfs/dbraw/zinc/58/62/97/553586297.db2.gz QSUUGKIVZBEROF-UHFFFAOYSA-N 0 1 509.676 5.626 50 0 KKAAMN CCOc1ccc([C@@H]2N[C@@H](c3ccc(OCC)cc3)C3C(=O)C2[C@H](c2ccc(OCC)cc2)N[C@@H]3c2ccc(OCC)cc2)cc1 ZINC000068582911 553591818 /nfs/dbraw/zinc/59/18/18/553591818.db2.gz KEVVQDVLUNYZPF-ATFIVVJBSA-N 0 1 620.790 7.554 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)ccc1C ZINC000017576573 553597998 /nfs/dbraw/zinc/59/79/98/553597998.db2.gz ICRKTTFLZLZHRE-UHFFFAOYSA-N 0 1 521.447 6.578 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccc(CC(C)C)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000070681070 553604921 /nfs/dbraw/zinc/60/49/21/553604921.db2.gz YVZIQDUSNTVFNS-ITMBJVNVSA-N 0 1 580.728 7.440 50 0 biogenic KKAAMN CC(C)(C)c1cc([C@@H](c2ccc(Cl)cc2)N2CCN(Cc3ccccc3)CC2)cc(C(C)(C)C)c1O ZINC000019618402 553614890 /nfs/dbraw/zinc/61/48/90/553614890.db2.gz RYXWVOIAHOWXOH-GDLZYMKVSA-N 0 1 505.146 7.548 50 0 KKAAMN CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(c4cc(C)cc(C)c4NC3=O)[C@]23c2ccccc2NC3=O)c1 ZINC000070699495 553616221 /nfs/dbraw/zinc/61/62/21/553616221.db2.gz GQKLNWUFARWHSN-MRPYTORDSA-N 0 1 535.644 5.107 50 0 biogenic KKAAMN CCOc1ccc(CCNC(=O)C2CCN(Cc3nc(-c4ccc(Cl)cc4)oc3C)CC2)cc1OCC ZINC000020240739 553626719 /nfs/dbraw/zinc/62/67/19/553626719.db2.gz SYVBRDJVGFHHGF-UHFFFAOYSA-N 0 1 526.077 5.672 50 0 KKAAMN COc1ccccc1-c1cc(C(F)(F)F)nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000019894409 553631993 /nfs/dbraw/zinc/63/19/93/553631993.db2.gz BQPSLNDCCITJEQ-UHFFFAOYSA-N 0 1 504.556 6.083 50 0 KKAAMN O=C(CN1CCC(Cc2ccccc2)CC1)N1CCCc2c3cc(OCc4ccccc4)ccc3oc(=O)c21 ZINC000020035843 553667781 /nfs/dbraw/zinc/66/77/81/553667781.db2.gz PHWUUGVAYXWECB-UHFFFAOYSA-N 0 1 522.645 5.606 50 0 KKAAMN Cc1nn2c(nc3c(c2N2CCN(C(c4ccccc4)c4ccccc4)CC2)CCCC3)c1-c1ccccc1 ZINC000020567108 553673572 /nfs/dbraw/zinc/67/35/72/553673572.db2.gz HWYVYMVXGHCGKC-UHFFFAOYSA-N 0 1 513.689 6.495 50 0 KKAAMN Cc1ccc(Cl)cc1N1CCN(C(=O)C2CCC(Cn3c(=O)c4ccccc4[nH]c3=S)CC2)CC1 ZINC000020644516 553684745 /nfs/dbraw/zinc/68/47/45/553684745.db2.gz OJELLRKMMHLCCB-UHFFFAOYSA-N 0 1 511.091 5.176 50 0 KKAAMN COc1ccc2cc3cc(C(=O)NCCCN4CCN(c5cc(C)ccc5C)CC4)sc3nc2c1Cl ZINC000021087655 553706051 /nfs/dbraw/zinc/70/60/51/553706051.db2.gz LLMXWQUKHYNWCA-UHFFFAOYSA-N 0 1 523.102 5.670 50 0 KKAAMN COc1cccc([C@H](c2sc3nc(C)nn3c2[O-])N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000022784275 553749760 /nfs/dbraw/zinc/74/97/60/553749760.db2.gz FLICUAYOJLBQRD-HHHXNRCGSA-N 0 1 525.678 5.310 50 0 KKAAMN C[N@@H+](CCNc1cc(C(=O)[O-])nc2cc(Cl)cc(Cl)c21)C1c2ccccc2CCc2ccccc21 ZINC000096581282 553756115 /nfs/dbraw/zinc/75/61/15/553756115.db2.gz JVXRXKPGIGKSID-UHFFFAOYSA-N 0 1 506.433 6.472 50 0 KKAAMN C[C@](CNS(=O)(=O)c1ccccc1)(c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022938702 553768123 /nfs/dbraw/zinc/76/81/23/553768123.db2.gz OABVTVPMRHOMQB-YTTGMZPUSA-N 0 1 525.718 5.288 50 0 KKAAMN CCOc1cccc([C@@H]2C(S(=O)(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(Cl)c(Cl)c2)c1 ZINC000024193206 553790555 /nfs/dbraw/zinc/79/05/55/553790555.db2.gz DKCYOIYOIFPVCH-JOCHJYFZSA-N 0 1 518.418 6.032 50 0 KKAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc(OCC)c(Br)c2)c1 ZINC000097948375 553793382 /nfs/dbraw/zinc/79/33/82/553793382.db2.gz PJXKYZMWKQKLMI-UHFFFAOYSA-N 0 1 566.496 5.599 50 0 KKAAMN C[C@H](NC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1)c1ccc(Br)cc1 ZINC000025144958 553794823 /nfs/dbraw/zinc/79/48/23/553794823.db2.gz PZHNNNCDNZALRY-AWEZNQCLSA-N 0 1 515.238 7.304 50 0 KKAAMN CCC(C)(C)c1ccc(OCCCCNC(=S)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c(C(C)(C)CC)c1 ZINC000097948716 553796001 /nfs/dbraw/zinc/79/60/01/553796001.db2.gz JAMOCFCRYZBLOX-UHFFFAOYSA-N 0 1 597.851 6.798 50 0 KKAAMN CCOc1cccc(-c2cccc(-c3nc(CN4CCC[C@@H](CCc5ccc(C(C)(C)C)cc5)C4)cs3)c2)c1 ZINC000025155768 553798803 /nfs/dbraw/zinc/79/88/03/553798803.db2.gz OTAQGNADWZKEKY-MHZLTWQESA-N 0 1 538.801 9.018 50 0 KKAAMN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N(CCc4cnc[nH]4)C(=O)c4cc5nc(-c6ccc(OC)cc6)cc(C(F)(F)F)n5n4)cc3n2)cc1 ZINC000097949293 553801059 /nfs/dbraw/zinc/80/10/59/553801059.db2.gz PKPCTBUODNUUCE-UHFFFAOYSA-N 0 1 749.632 6.409 50 0 KKAAMN O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000025161991 553803186 /nfs/dbraw/zinc/80/31/86/553803186.db2.gz OSLOKDXQIAMKEA-HHHXNRCGSA-N 0 1 512.440 7.764 50 0 KKAAMN Brc1ccc2c(c1)[C@@H]1CC(c3ccc4c(c3)OCO4)=NN1C1(CCN(Cc3ccccc3)CC1)O2 ZINC000097951451 553809093 /nfs/dbraw/zinc/80/90/93/553809093.db2.gz XGKHKSJTWOVSSY-DEOSSOPVSA-N 0 1 532.438 5.714 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(Cc5ccccc5)nc4c32)cc1OC ZINC000097954449 553823228 /nfs/dbraw/zinc/82/32/28/553823228.db2.gz HYVRWFBDEGQPKX-MHZLTWQESA-N 0 1 530.588 5.512 50 0 KKAAMN Cc1ccc(C(=O)Oc2ccc3c(c2OC(=O)c2ccc(C)cc2)-c2cccc4c2[C@H](C3)N(C)CC4)cc1 ZINC000027472958 553825837 /nfs/dbraw/zinc/82/58/37/553825837.db2.gz MPXVMWCGUBXTFN-MHZLTWQESA-N 0 1 503.598 6.494 50 0 biogenic KKAAMN O=C1NC(=Cc2c(=O)n(-c3ccccc3)[nH]c2Cc2cccs2)C(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000097955962 553835216 /nfs/dbraw/zinc/83/52/16/553835216.db2.gz LVVUDGHFSIQRFH-HMAPJEAMSA-N 0 1 524.524 5.342 50 0 KKAAMN COC(=O)C1(C(=O)OC)[C@H]2c3ccccc3C=CN2[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccccc1 ZINC000097956263 553837320 /nfs/dbraw/zinc/83/73/20/553837320.db2.gz XZLDJIMNFYMIEX-DGWZTRNLSA-N 0 1 536.411 5.702 50 0 KKAAMN COc1ccc(-c2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)C4c2ccccc2OC)cc1OC ZINC000097956720 553841107 /nfs/dbraw/zinc/84/11/07/553841107.db2.gz REHFHNDVRIVQHN-AREMUKBSSA-N 0 1 546.587 5.597 50 0 KKAAMN CC(=O)Nc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccc(NC(C)=O)cc5)cc4[nH]3)cc2)cc1 ZINC000029747623 553848239 /nfs/dbraw/zinc/84/82/39/553848239.db2.gz XCJFXAJBLZXSFH-UHFFFAOYSA-N 0 1 546.587 5.651 50 0 KKAAMN Cc1cccc(-c2noc(-c3cn(Cc4ccc(NS(=O)(=O)c5ccc(F)cc5F)cc4)cn3)n2)c1 ZINC000032974776 553883842 /nfs/dbraw/zinc/88/38/42/553883842.db2.gz JCFSIBPUZDTXKI-UHFFFAOYSA-N 0 1 507.522 5.036 50 0 KKAAMN COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)cc(Cl)c4O)c(=O)n32)c1 ZINC000097962677 553884931 /nfs/dbraw/zinc/88/49/31/553884931.db2.gz DTJUCQDJONUGRY-MFUBYVTQSA-N 0 1 610.917 5.004 50 0 KKAAMN CC(C)C[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccccc3F)C2=O)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]21 ZINC000033354904 553932133 /nfs/dbraw/zinc/93/21/33/553932133.db2.gz CTAJWSNPWCGOIY-UJOCQTKCSA-N 0 1 532.015 5.045 50 0 KKAAMN COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCCN3CCN(c4ccc(F)cc4)CC3)C2=S)cc1Cl ZINC000033357111 553946530 /nfs/dbraw/zinc/94/65/30/553946530.db2.gz WAOOZAWAUBQAMS-HHHXNRCGSA-N 0 1 628.145 5.170 50 0 KKAAMN CCOc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)cc2Br)cc1 ZINC000033358405 553955387 /nfs/dbraw/zinc/95/53/87/553955387.db2.gz XDXOKJKXFIZXMB-XZOQPEGZSA-N 0 1 643.148 7.523 50 0 KKAAMN COc1cccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2cccs2)c1 ZINC000033358450 553955742 /nfs/dbraw/zinc/95/57/42/553955742.db2.gz DMPYAINCYIWKBY-RBUKOAKNSA-N 0 1 542.227 6.123 50 0 KKAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2cccc(Br)c2)cc1Cl ZINC000033358500 553956314 /nfs/dbraw/zinc/95/63/14/553956314.db2.gz OFCLAKDNFAJCDX-SFTDATJTSA-N 0 1 633.540 7.777 50 0 KKAAMN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CCN2CCCCC2)C(=O)Nc2cccc(F)c2)o1 ZINC000033546040 553962347 /nfs/dbraw/zinc/96/23/47/553962347.db2.gz MBHBFTJDVKTAMK-UHFFFAOYSA-N 0 1 520.649 5.318 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000033717223 553970137 /nfs/dbraw/zinc/97/01/37/553970137.db2.gz DVTBURAJNPLUJK-LSBIRFPWSA-N 0 1 520.629 5.674 50 0 KKAAMN CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCCN(Cc4cccc(C(F)(F)F)c4)CC3)nc2)cc1 ZINC000034681637 553985203 /nfs/dbraw/zinc/98/52/03/553985203.db2.gz DBWVWYZHJPVXCL-UHFFFAOYSA-N 0 1 510.604 6.363 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ccc(Br)cc3)C2=O)c1 ZINC000097980460 553988600 /nfs/dbraw/zinc/98/86/00/553988600.db2.gz LFFIZORQBOGGJN-XIEYBQDHSA-N 0 1 604.482 5.899 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ccc(C(C)=O)cc3)C2=O)c1 ZINC000097980454 553988737 /nfs/dbraw/zinc/98/87/37/553988737.db2.gz VHWXIYYVKMOWPK-ZXVVBBHZSA-N 0 1 567.623 5.339 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ccc(Cl)cc3)C2=O)c1 ZINC000097980477 553989040 /nfs/dbraw/zinc/98/90/40/553989040.db2.gz FNCQZSYGDLOMKI-XIEYBQDHSA-N 0 1 560.031 5.789 50 0 KKAAMN CCOC(=O)c1c(NC=C2c3ccccc3C(=O)N(c3cccc(S(=O)(=O)Nc4ccccc4OC)c3)C2=O)sc2c1CC[C@@H](C)C2 ZINC000097980556 553989605 /nfs/dbraw/zinc/98/96/05/553989605.db2.gz WQDRWONLFKRIOY-HKSLHJNNSA-N 0 1 671.797 6.499 50 0 KKAAMN O=S(=O)(Nc1cccc(Cl)c1)c1cc(NC(=S)Nc2ccc(SC(F)F)cc2)ccc1Cl ZINC000097981350 553993263 /nfs/dbraw/zinc/99/32/63/553993263.db2.gz SWOAXJVWBBBAQA-UHFFFAOYSA-N 0 1 534.462 6.918 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2[C@H](C(C)=O)N3c4ccc5ccccc5c4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000034720851 553996182 /nfs/dbraw/zinc/99/61/82/553996182.db2.gz PVSVFJJTMSKTFU-SAHGSRCJSA-N 0 1 514.581 5.411 50 0 KKAAMN COc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3ccccc3NS(=O)(=O)c3c(C)c(C)cc(C)c3C)c2)cc1 ZINC000097982857 554005254 /nfs/dbraw/zinc/00/52/54/554005254.db2.gz KPBIRWIPNZOCRX-UHFFFAOYSA-N 0 1 593.727 5.783 50 0 KKAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)c(F)c3)ccc2C)cc1 ZINC000097982890 554005555 /nfs/dbraw/zinc/00/55/55/554005555.db2.gz XJOBXPLCJWPNNJ-UHFFFAOYSA-N 0 1 587.626 5.136 50 0 KKAAMN O=[P@@](/C=C(/Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000097983626 554010621 /nfs/dbraw/zinc/01/06/21/554010621.db2.gz ZSFPVGLXPLEPQB-IEPGDLOPSA-N 0 1 573.504 9.147 50 0 KKAAMN O=[P@](/C=C(/Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000097983626 554010623 /nfs/dbraw/zinc/01/06/23/554010623.db2.gz ZSFPVGLXPLEPQB-IEPGDLOPSA-N 0 1 573.504 9.147 50 0 KKAAMN O=[P@@](/C=C(/Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000097983624 554010668 /nfs/dbraw/zinc/01/06/68/554010668.db2.gz WFQMMBAZRLCXIL-XWFQURHXSA-N 0 1 573.438 7.923 50 0 KKAAMN CCc1ccc(-c2csc(N[P@@](=O)(/C=C(/Cl)c3ccccc3)/C=C(\Cl)c3ccccc3)n2)cc1 ZINC000097983727 554011305 /nfs/dbraw/zinc/01/13/05/554011305.db2.gz HCXFUVHQNDIMPL-KGOJTIBSSA-N 0 1 525.441 9.537 50 0 KKAAMN CCN1CCN(c2c(CN(CC(C)C)C(=O)CSc3ccccc3)c(C)nn2-c2ccccc2)CC1 ZINC000034829544 554012104 /nfs/dbraw/zinc/01/21/04/554012104.db2.gz BCHHEBCYRJHVKA-UHFFFAOYSA-N 0 1 505.732 5.100 50 0 KKAAMN CCCC[C@H](CC)C(=O)N1CCCN(C(=O)[C@@H](C)N2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830409 554015811 /nfs/dbraw/zinc/01/58/11/554015811.db2.gz QDGPRDNTJMHSBT-NYULUDCUSA-N 0 1 509.760 5.670 50 0 KKAAMN CCCCc1ccc(C(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@@H]3c3cccc(F)c3)CC2)cc1 ZINC000034830490 554016197 /nfs/dbraw/zinc/01/61/97/554016197.db2.gz MTJLHYJHKWMQOD-PMERELPUSA-N 0 1 533.713 5.552 50 0 KKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CCN(C)CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000034831349 554017038 /nfs/dbraw/zinc/01/70/38/554017038.db2.gz MUCQDSBOYXDFSS-UHFFFAOYSA-N 0 1 515.489 5.683 50 0 KKAAMN CC[C@@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)Nc1cccc(Cl)c1 ZINC000034832175 554017946 /nfs/dbraw/zinc/01/79/46/554017946.db2.gz XKBRYSUDWTUQMZ-HXUWFJFHSA-N 0 1 527.088 5.948 50 0 KKAAMN CCN1CCN(c2c(CN(CCC(C)C)C(=O)Nc3cccc(Cl)c3)c(C)nn2-c2ccccc2)CC1 ZINC000034832205 554017973 /nfs/dbraw/zinc/01/79/73/554017973.db2.gz YLVQBTQKLVABHK-UHFFFAOYSA-N 0 1 523.125 6.056 50 0 KKAAMN Cc1nn(-c2ccccc2)c(N2CCN(C)CC2)c1CN(CCC(C)C)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000034834651 554018773 /nfs/dbraw/zinc/01/87/73/554018773.db2.gz REABADFQVVZRLY-UHFFFAOYSA-N 0 1 528.528 5.928 50 0 KKAAMN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000034834990 554019171 /nfs/dbraw/zinc/01/91/71/554019171.db2.gz PHOBOOVLTQUJEG-FQEVSTJZSA-N 0 1 528.528 6.070 50 0 KKAAMN CCN1CCN(c2c(CN(CCCOC)C(=O)c3ccc(C(C)(C)C)cc3)c(C)nn2-c2ccccc2)CC1 ZINC000034835167 554019576 /nfs/dbraw/zinc/01/95/76/554019576.db2.gz WSLJPHFBFCSGLD-UHFFFAOYSA-N 0 1 531.745 5.299 50 0 KKAAMN CCc1nn(-c2ccc(F)cc2)c(N2CCN(C(C)C)CC2)c1CN(CC(C)C)C(=O)CCC1CCCC1 ZINC000034835317 554019695 /nfs/dbraw/zinc/01/96/95/554019695.db2.gz MDUOWDDQNWGGFO-UHFFFAOYSA-N 0 1 525.757 6.059 50 0 KKAAMN CCCCCc1ccc(C(=O)N(Cc2c(C)nn(-c3cccc(F)c3)c2N2CCN(CC)CC2)C2CC2)cc1 ZINC000034835618 554019989 /nfs/dbraw/zinc/01/99/89/554019989.db2.gz XMZBCVDOHOSGAY-UHFFFAOYSA-N 0 1 531.720 5.999 50 0 KKAAMN CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(C(C)C)CC1)C(=O)Nc1ccc(C)cc1C ZINC000034835769 554020375 /nfs/dbraw/zinc/02/03/75/554020375.db2.gz ZSLFCVHCNZOFGA-UHFFFAOYSA-N 0 1 534.724 6.165 50 0 KKAAMN CC(C)c1ccc(NC(=O)CSC2=NC3(CCN(C)CC3)N=C2c2ccc(Br)cc2)cc1 ZINC000035397188 554047841 /nfs/dbraw/zinc/04/78/41/554047841.db2.gz APOGIIUCUCXBCA-UHFFFAOYSA-N 0 1 513.505 5.568 50 0 KKAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)cc1F)C(c1ccc(Br)cc1)=N2 ZINC000035397213 554047895 /nfs/dbraw/zinc/04/78/95/554047895.db2.gz JDOTVSJQUJULOJ-UHFFFAOYSA-N 0 1 521.431 5.112 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccccc5Cl)nc4c32)cc1OC ZINC000098000209 554049293 /nfs/dbraw/zinc/04/92/93/554049293.db2.gz JQRBXGSHASMIKP-RUZDIDTESA-N 0 1 551.006 6.242 50 0 KKAAMN CCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COC(C)C ZINC000035842617 554081402 /nfs/dbraw/zinc/08/14/02/554081402.db2.gz WUYSFEDQZKUSDD-LJAQVGFWSA-N 0 1 535.773 5.925 50 0 KKAAMN CC(C)CN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1 ZINC000035842720 554081532 /nfs/dbraw/zinc/08/15/32/554081532.db2.gz NNRZRNBSQIBZPI-UHFFFAOYSA-N 0 1 522.520 7.204 50 0 KKAAMN CCOCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccc(C(F)(F)F)cc1 ZINC000035844927 554083218 /nfs/dbraw/zinc/08/32/18/554083218.db2.gz CLCRREVNSXKYAS-UHFFFAOYSA-N 0 1 516.604 6.107 50 0 KKAAMN CCOC(=O)c1c2cc(OC)c(Br)cc2n(-c2ccccc2)c1C(=O)N(CCN1CCCCC1)c1ccccc1 ZINC000098044774 554129736 /nfs/dbraw/zinc/12/97/36/554129736.db2.gz NMUHIGBBUQFVEG-UHFFFAOYSA-N 0 1 604.545 6.711 50 0 KKAAMN COc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Br)c(C)c2)cc1Br ZINC000098049927 554170100 /nfs/dbraw/zinc/17/01/00/554170100.db2.gz DKKKKDJDCWTEJC-FGZHOGPDSA-N 0 1 708.017 7.895 50 0 KKAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2cccs2)cc1F ZINC000098049913 554170128 /nfs/dbraw/zinc/17/01/28/554170128.db2.gz DWPGKWUSPZGYOE-MOPGFXCFSA-N 0 1 544.218 6.562 50 0 KKAAMN COc1ccc(OC)c([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cccc(C(F)(F)F)c2)c1 ZINC000098049953 554170323 /nfs/dbraw/zinc/17/03/23/554170323.db2.gz ZVORIYMOBHTXBH-YADHBBJMSA-N 0 1 634.221 7.089 50 0 KKAAMN CCOc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000098049940 554170456 /nfs/dbraw/zinc/17/04/56/554170456.db2.gz HATLHKXVGYEPPY-FCHUYYIVSA-N 0 1 629.121 7.214 50 0 KKAAMN COc1ccc(OC)c([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cccc(C(F)(F)F)c2)c1 ZINC000098049954 554170484 /nfs/dbraw/zinc/17/04/84/554170484.db2.gz ZVORIYMOBHTXBH-VXKWHMMOSA-N 0 1 634.221 7.089 50 0 KKAAMN CCCCOc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000098049980 554170818 /nfs/dbraw/zinc/17/08/18/554170818.db2.gz ZFEMEZTYAWOJRD-BJKOFHAPSA-N 0 1 657.175 7.994 50 0 KKAAMN CCOc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cc(Cl)ccc2C)cc1 ZINC000098050000 554170985 /nfs/dbraw/zinc/17/09/85/554170985.db2.gz HONHPPPCMJSAFQ-GOTSBHOMSA-N 0 1 598.697 7.413 50 0 KKAAMN COc1ccc(OC)c([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cc(Cl)cc(Cl)c2)c1 ZINC000098050049 554171373 /nfs/dbraw/zinc/17/13/73/554171373.db2.gz LTNDWXQTANTTGG-FGZHOGPDSA-N 0 1 635.114 7.377 50 0 KKAAMN COc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cc(Cl)cc(Cl)c2)cc1Br ZINC000098050026 554171395 /nfs/dbraw/zinc/17/13/95/554171395.db2.gz IYZHXUPTMOHZHJ-LEWJYISDSA-N 0 1 683.984 8.131 50 0 KKAAMN O=C1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@@H](c2cccs2)N1c1cc(Cl)cc(Cl)c1 ZINC000098050160 554172629 /nfs/dbraw/zinc/17/26/29/554172629.db2.gz KLZQBVRCDCZZRA-QZTJIDSGSA-N 0 1 581.091 7.421 50 0 KKAAMN COc1cccc(C(=O)N(CCN2CCCCC2)Cc2csc(COc3ccccc3C(C)C)n2)c1 ZINC000036116621 554182178 /nfs/dbraw/zinc/18/21/78/554182178.db2.gz RIAVBTRYZCWFTJ-UHFFFAOYSA-N 0 1 507.700 5.982 50 0 KKAAMN O=C(c1ccccc1)N(CCN1CCCCC1)Cc1csc(COc2cc(Cl)ccc2Cl)n1 ZINC000036124416 554196627 /nfs/dbraw/zinc/19/66/27/554196627.db2.gz VXFHBMFXUSNRQE-UHFFFAOYSA-N 0 1 504.483 6.157 50 0 KKAAMN O[C@@H](COCc1ccco1)CN(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146744 554198108 /nfs/dbraw/zinc/19/81/08/554198108.db2.gz YWJCPDUGNPGTHU-IRLDBZIGSA-N 0 1 507.389 5.298 50 0 KKAAMN CCCN(Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1cc(OC)cc(OC)c1 ZINC000036167626 554199949 /nfs/dbraw/zinc/19/99/49/554199949.db2.gz ZOLBMMKXQJMTAF-UHFFFAOYSA-N 0 1 531.649 6.010 50 0 KKAAMN COc1ccc(Oc2c(CN(CC(C)C)C[C@H](O)COc3ccccc3)c(C)nn2-c2ccccc2)cc1 ZINC000036302338 554212247 /nfs/dbraw/zinc/21/22/47/554212247.db2.gz LLJVVLLXLBRCDB-SANMLTNESA-N 0 1 515.654 5.880 50 0 KKAAMN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CN(C[C@@H](O)COCc1ccccc1)C(C)C ZINC000036304097 554214490 /nfs/dbraw/zinc/21/44/90/554214490.db2.gz XOIDUNNOQHHDQY-AREMUKBSSA-N 0 1 521.608 6.039 50 0 KKAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@@H](O)COCC(C)C ZINC000036304960 554214782 /nfs/dbraw/zinc/21/47/82/554214782.db2.gz AZWUQOXWASHKNU-JOCHJYFZSA-N 0 1 502.055 5.015 50 0 KKAAMN Cc1ccc(Oc2c(CN(C[C@H](O)COCC(C)C)C[C@H]3CCCO3)c(-c3ccccc3)nn2C)cc1 ZINC000036316071 554219644 /nfs/dbraw/zinc/21/96/44/554219644.db2.gz LAUGOIOKYRAZNE-AHKZPQOWSA-N 0 1 507.675 5.202 50 0 KKAAMN COc1ccccc1[C@@H]1CC(c2ccccc2Cl)=NN1C(=O)CN1CCC(Cc2ccccc2)CC1 ZINC000036341399 554220912 /nfs/dbraw/zinc/22/09/12/554220912.db2.gz WYUPVESFBIBVBP-NDEPHWFRSA-N 0 1 502.058 5.981 50 0 KKAAMN COc1ccc([C@@H]2CC(c3cccc(C)c3)=NN2C(=O)CN2CCC(Cc3ccccc3)CC2)c(OC)c1 ZINC000036343432 554221885 /nfs/dbraw/zinc/22/18/85/554221885.db2.gz KSDGOESBYRXTRG-PMERELPUSA-N 0 1 511.666 5.645 50 0 KKAAMN COc1ccc([C@H]2CC(c3cccc(C)c3)=NN2C(=O)CN2CCC(Cc3ccccc3)CC2)c(OC)c1 ZINC000036343433 554221921 /nfs/dbraw/zinc/22/19/21/554221921.db2.gz KSDGOESBYRXTRG-SSEXGKCCSA-N 0 1 511.666 5.645 50 0 KKAAMN COc1ccc([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN2CCC(Cc3ccccc3)CC2)c(OC)c1 ZINC000036344216 554222693 /nfs/dbraw/zinc/22/26/93/554222693.db2.gz PWNFRVNXZROYQZ-HKBQPEDESA-N 0 1 525.693 5.953 50 0 KKAAMN CCOc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(S(=O)(=O)Nc3nccc(C)n3)cc1)C(C)(C)N2 ZINC000100114707 554222944 /nfs/dbraw/zinc/22/29/44/554222944.db2.gz IFDKNVFDVXVWNI-NFFVHWSESA-N 0 1 539.708 5.668 50 0 KKAAMN CC(=O)N1c2cc(S(=O)(=O)Nc3ccc(OCc4ccccc4)cc3)c(Br)cc2C[C@H]1C ZINC000040450655 554285754 /nfs/dbraw/zinc/28/57/54/554285754.db2.gz GYODONVRJLUPNK-MRXNPFEDSA-N 0 1 515.429 5.126 50 0 KKAAMN CN1CCC2(CC1)N=C(SCC(=O)Nc1cccc(Cl)c1)C(c1ccc(Br)cc1)=N2 ZINC000045912807 554313998 /nfs/dbraw/zinc/31/39/98/554313998.db2.gz WHTAIGFXGLSIFQ-UHFFFAOYSA-N 0 1 505.869 5.098 50 0 KKAAMN O=C(Nc1ccc(-c2nc3ccc(-c4nc5cc(NC(=O)c6cccc7ccccc76)ccc5[nH]4)cc3[nH]2)cc1)c1cccc2ccccc21 ZINC000049763099 554325463 /nfs/dbraw/zinc/32/54/63/554325463.db2.gz URJYYOVOLLMEFS-UHFFFAOYSA-N 0 1 648.726 9.584 50 0 KKAAMN O=C(Nc1ccc(-c2nc3cc(-c4nc5ccc(NC(=O)c6cccc7ccccc76)cc5[nH]4)ccc3[nH]2)cc1)c1cccc2ccccc21 ZINC000049763099 554325467 /nfs/dbraw/zinc/32/54/67/554325467.db2.gz URJYYOVOLLMEFS-UHFFFAOYSA-N 0 1 648.726 9.584 50 0 KKAAMN CC(C)c1ccc(-c2nc(-c3ccc(-c4nc(-c5ccc(C(C)C)cc5)[nH]c4-c4ccccc4)cc3)c(-c3ccccc3)[nH]2)cc1 ZINC000053319507 554338737 /nfs/dbraw/zinc/33/87/37/554338737.db2.gz BZZLHBOGQLZKHE-UHFFFAOYSA-N 0 1 598.794 11.382 50 0 KKAAMN CC(C)c1ccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4nc(-c5ccc(C(C)C)cc5)[nH]c4-c4ccccc4)cc3)[nH]2)cc1 ZINC000053319507 554338733 /nfs/dbraw/zinc/33/87/33/554338733.db2.gz BZZLHBOGQLZKHE-UHFFFAOYSA-N 0 1 598.794 11.382 50 0 KKAAMN CCCCOc1cccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCN(Cc3ccccc3)CC2)c1 ZINC000057222884 554353009 /nfs/dbraw/zinc/35/30/09/554353009.db2.gz LPAPUSLTBOQLDZ-UHFFFAOYSA-N 0 1 501.627 5.227 50 0 KKAAMN CC(C)(C)Oc1ccc(CC(NC(=O)OCC2c3ccccc3-c3ccccc32)=C(O)n2nnc3ccccc32)cc1 ZINC000059243535 554386322 /nfs/dbraw/zinc/38/63/22/554386322.db2.gz CTIHIZJNLXMTHT-PMERELPUSA-N 0 1 560.654 6.399 50 0 KKAAMN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@@H]3c2cccc(Br)c2)cc1 ZINC000100425416 554386631 /nfs/dbraw/zinc/38/66/31/554386631.db2.gz HPWLRYGUPGCLTB-NLGDKJDOSA-N 0 1 563.495 8.621 50 0 KKAAMN COc1ccc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)cc1OC ZINC000100425647 554387022 /nfs/dbraw/zinc/38/70/22/554387022.db2.gz FVJKDAFAUQNRTJ-UZTOHYMASA-N 0 1 522.523 6.816 50 0 KKAAMN O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc(F)cc1)N(C(=S)Nc1ccccc1)c1ccccc1N2 ZINC000100425760 554387037 /nfs/dbraw/zinc/38/70/37/554387037.db2.gz XQMUTDGWPPUJTN-IPBJYNAHSA-N 0 1 519.645 8.246 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000100426092 554387739 /nfs/dbraw/zinc/38/77/39/554387739.db2.gz AXKGIDZVRLDJOP-MJVKXCJRSA-N 0 1 580.769 9.132 50 0 KKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000100426320 554388034 /nfs/dbraw/zinc/38/80/34/554388034.db2.gz SVVZZINLRKRJMW-OLILMLBXSA-N 0 1 520.551 7.674 50 0 KKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000100426324 554388093 /nfs/dbraw/zinc/38/80/93/554388093.db2.gz SVVZZINLRKRJMW-AFJIDDCJSA-N 0 1 520.551 7.674 50 0 KKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@H]3c2cccc(Cl)c2)cc1OC ZINC000100426540 554388407 /nfs/dbraw/zinc/38/84/07/554388407.db2.gz XGJKQYUGMNVCPM-OLILMLBXSA-N 0 1 502.998 6.927 50 0 KKAAMN COc1cccc([C@@H]2C3=C(C[C@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000100426929 554389140 /nfs/dbraw/zinc/38/91/40/554389140.db2.gz CHKZUCRISBPPNW-GFJKYASSSA-N 0 1 602.493 9.397 50 0 KKAAMN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000100426816 554389198 /nfs/dbraw/zinc/38/91/98/554389198.db2.gz YXEHXJJMVLUTAM-FWUCURJTSA-N 0 1 539.462 8.857 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccs1 ZINC000100426996 554389207 /nfs/dbraw/zinc/38/92/07/554389207.db2.gz PRJWXSXABUUHRX-ROTAYESASA-N 0 1 530.690 7.896 50 0 KKAAMN COc1ccc([C@@H]2C3=C(C[C@H](c4ccc(OC)c(OC)c4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000100429531 554390476 /nfs/dbraw/zinc/39/04/76/554390476.db2.gz RVIQRGRUYCGPCN-WNSROMTISA-N 0 1 560.650 7.576 50 0 KKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@@H]3c2ccc(Cl)cc2)cc1OC ZINC000100429548 554390585 /nfs/dbraw/zinc/39/05/85/554390585.db2.gz JORIRDZWVGTURA-ACSYHNTCSA-N 0 1 502.998 6.927 50 0 KKAAMN COc1cc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@H](C3)N(C)CC4)cc1OC ZINC000059364557 554392970 /nfs/dbraw/zinc/39/29/70/554392970.db2.gz ZCTJIMXXSXQXRI-IHLOFXLRSA-N 0 1 696.841 7.063 50 0 biogenic,in-vitro KKAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000100574985 554422771 /nfs/dbraw/zinc/42/27/71/554422771.db2.gz RNAHJLXPXFUPAG-SFTDATJTSA-N 0 1 538.189 6.500 50 0 KKAAMN CCOc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000100578016 554424054 /nfs/dbraw/zinc/42/40/54/554424054.db2.gz RPWRFHRDEGIJQZ-XZOQPEGZSA-N 0 1 594.234 6.180 50 0 KKAAMN O=C1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@H](c2ccc3c(c2)OCO3)N1c1ccc(F)cc1 ZINC000100578087 554424103 /nfs/dbraw/zinc/42/41/03/554424103.db2.gz UQJYLGURFYXEEQ-LEWJYISDSA-N 0 1 568.171 5.921 50 0 KKAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2cccc(F)c2)cc1Cl ZINC000100584635 554426378 /nfs/dbraw/zinc/42/63/78/554426378.db2.gz WWTAUXYNGBQUEE-NHCUHLMSSA-N 0 1 572.634 7.154 50 0 KKAAMN COc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1OC ZINC000100586074 554426787 /nfs/dbraw/zinc/42/67/87/554426787.db2.gz HPIRVQKBFWQCIQ-DHIUTWEWSA-N 0 1 614.696 7.032 50 0 KKAAMN Cc1cccc2c1NC(=O)[C@@]21N2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000059796310 554430559 /nfs/dbraw/zinc/43/05/59/554430559.db2.gz HTVNOZMEKLYJJG-XOEWJNCRSA-N 0 1 513.597 5.163 50 0 KKAAMN CCOc1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000064557943 554511710 /nfs/dbraw/zinc/51/17/10/554511710.db2.gz SVHPVYCZZKWVAJ-NRFANRHFSA-N 0 1 514.397 5.179 50 0 KKAAMN Cc1ccc(S(=O)(=O)C2=C(O)C(=O)N(c3ccc(Br)cc3)[C@@H]2c2ccc(F)cc2)cc1 ZINC000064558179 554511766 /nfs/dbraw/zinc/51/17/66/554511766.db2.gz ITEKCCZEYLWHHF-HXUWFJFHSA-N 0 1 502.361 5.228 50 0 KKAAMN COc1cc(Br)cc2c1OC1(CCN(Cc3ccccc3)CC1)N1N=C(c3ccc(F)cc3)C[C@@H]21 ZINC000100989561 554549797 /nfs/dbraw/zinc/54/97/97/554549797.db2.gz MGHYPHNKHXMCAM-VWLOTQADSA-N 0 1 536.445 6.133 50 0 KKAAMN COc1cccc(C2=NN3[C@@H](C2)c2cc(Br)cc(OC)c2OC32CCN(Cc3ccccc3)CC2)c1 ZINC000100989556 554549803 /nfs/dbraw/zinc/54/98/03/554549803.db2.gz WGLSVYNUFYWTNP-SANMLTNESA-N 0 1 548.481 6.002 50 0 KKAAMN Brc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2OC32CCN(Cc3ccccc3)CC2)cc1 ZINC000100991473 554550115 /nfs/dbraw/zinc/55/01/15/554550115.db2.gz QLGLGFFHBNOSHB-RUZDIDTESA-N 0 1 567.325 6.747 50 0 KKAAMN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C(=O)c2ccccc2)[C@@H](c2c(C)[nH]n(-c3ccccc3)c2=O)c2ccc(Cl)cc2)cc1 ZINC000101025585 554563879 /nfs/dbraw/zinc/56/38/79/554563879.db2.gz OBMCOVIZKCECDR-JSOSNVBQSA-N 0 1 629.138 5.860 50 0 KKAAMN CC(C)(C)C(=O)[C@@H]1C(=C(O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000101064377 554571474 /nfs/dbraw/zinc/57/14/74/554571474.db2.gz PUZOFRLPUMZEQT-SQRAXXTESA-N 0 1 589.917 6.691 50 0 KKAAMN COc1cc([C@@H]2C3=C(C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc(OC)c1OC ZINC000101100347 554587152 /nfs/dbraw/zinc/58/71/52/554587152.db2.gz XPRHXNVPPJJLAT-SXZDHJFLSA-N 0 1 616.758 8.874 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000101109010 554640743 /nfs/dbraw/zinc/64/07/43/554640743.db2.gz CFJLSOMVIOXMQA-FCEKVYKBSA-N 0 1 538.531 5.105 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(OC)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000101134999 554651228 /nfs/dbraw/zinc/65/12/28/554651228.db2.gz SGYNSRYDTADTRE-FCEKVYKBSA-N 0 1 516.594 5.324 50 0 KKAAMN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000101134999 554651231 /nfs/dbraw/zinc/65/12/31/554651231.db2.gz SGYNSRYDTADTRE-FCEKVYKBSA-N 0 1 516.594 5.324 50 0 KKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3cc(C)ccc3N21 ZINC000101162791 554660290 /nfs/dbraw/zinc/66/02/90/554660290.db2.gz BHAUNPDRZCCCNU-UUROJUAVSA-N 0 1 531.439 6.254 50 0 KKAAMN CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000101173150 554662257 /nfs/dbraw/zinc/66/22/57/554662257.db2.gz YEQKIUHBYOXGIP-OLUZHXLYSA-N 0 1 534.612 6.024 50 0 KKAAMN COc1cccc(C(O)=C2[C@@H](C(=O)c3cccs3)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000101181293 554667000 /nfs/dbraw/zinc/66/70/00/554667000.db2.gz JAEDMTIMWZYTMY-UUQNIDNHSA-N 0 1 546.648 6.003 50 0 KKAAMN CC(C)(C)C(=O)[C@@H]1C(=C(O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000101191537 554670783 /nfs/dbraw/zinc/67/07/83/554670783.db2.gz AZKFRKYWHBXYFA-SQRAXXTESA-N 0 1 545.466 6.582 50 0 KKAAMN COc1ccccc1Nc1c2cc(NC(=O)CCn3c4ccccc4oc3=S)ccc2nc2c1CCCC2 ZINC000101193507 554671569 /nfs/dbraw/zinc/67/15/69/554671569.db2.gz MXRHMVWMAQKOFB-UHFFFAOYSA-N 0 1 524.646 7.172 50 0 KKAAMN CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)CN3CCN(c4ccc(C)cc4)CC3)cc21 ZINC000101222490 554687650 /nfs/dbraw/zinc/68/76/50/554687650.db2.gz FXBYVFHUZBOXOY-NDEPHWFRSA-N 0 1 541.692 5.294 50 0 KKAAMN CC(=O)[C@@H]1[C@@H](C(=O)c2ccc(CC(C)C)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(F)ccc3N21 ZINC000101252121 554694189 /nfs/dbraw/zinc/69/41/89/554694189.db2.gz GLZOPFJFOAVXLU-SVYISMGTSA-N 0 1 508.593 5.586 50 0 KKAAMN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000101255102 554696150 /nfs/dbraw/zinc/69/61/50/554696150.db2.gz RFKSCLFLIDLEDD-SSEXGKCCSA-N 0 1 620.219 5.278 50 0 KKAAMN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000101255087 554696224 /nfs/dbraw/zinc/69/62/24/554696224.db2.gz NWEQTDHXYUAZCH-JGCGQSQUSA-N 0 1 629.827 5.023 50 0 KKAAMN O=C(c1ccccc1)[C@@H]1C(=C(O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000101343506 554736375 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ZINC000102865015 555094881 /nfs/dbraw/zinc/09/48/81/555094881.db2.gz PMJSMAQHUKISJW-GHRAFVERSA-N 0 1 567.154 9.563 50 0 KKAAMN CCOc1ccccc1[C@H]1C2=C(C[C@H](c3ccc(OC)cc3)CC2=O)Nc2ccccc2N1C(=O)C(F)(F)F ZINC000102866582 555095713 /nfs/dbraw/zinc/09/57/13/555095713.db2.gz PHOGWFLWDJLMSZ-VKGTZQKMSA-N 0 1 536.550 7.206 50 0 KKAAMN COc1cccc(C(O)=C2[C@@H](C(=O)c3ccc(C)cc3)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000102872231 555102989 /nfs/dbraw/zinc/10/29/89/555102989.db2.gz NHZLMWWVCOLXJE-JMNGKNCGSA-N 0 1 568.673 6.558 50 0 KKAAMN COc1cccc(C(O)=C2[C@H](C(=O)c3ccc(C)cc3)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000102872235 555103013 /nfs/dbraw/zinc/10/30/13/555103013.db2.gz NHZLMWWVCOLXJE-CSSWAUQYSA-N 0 1 568.673 6.558 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000102872494 555103232 /nfs/dbraw/zinc/10/32/32/555103232.db2.gz NNTIUAYUQKWPSI-PVAZPRTOSA-N 0 1 592.658 8.853 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C2[C@H]1c1ccccc1Cl ZINC000102876421 555106116 /nfs/dbraw/zinc/10/61/16/555106116.db2.gz HHRVHDNNYJEPCB-JCOAXYOVSA-N 0 1 517.044 8.610 50 0 KKAAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)c3ccccc3)[C@@H]2c2cccc(OCc3ccccc3)c2)C1 ZINC000102879070 555108124 /nfs/dbraw/zinc/10/81/24/555108124.db2.gz FUBAIOYRDOAKIR-MGBGTMOVSA-N 0 1 528.652 8.372 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccc(F)c1 ZINC000102882586 555110667 /nfs/dbraw/zinc/11/06/67/555110667.db2.gz KAWNRLDCAWYLRS-HEIROHQZSA-N 0 1 512.625 7.965 50 0 KKAAMN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000102887037 555117864 /nfs/dbraw/zinc/11/78/64/555117864.db2.gz FFRCNKAHTCNNMI-NHKHRBQYSA-N 0 1 552.558 5.413 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccc(C)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)c1 ZINC000102893297 555130617 /nfs/dbraw/zinc/13/06/17/555130617.db2.gz JAAFBTBVLKLPCL-HXBWQCRLSA-N 0 1 554.646 6.250 50 0 KKAAMN COc1cc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000102893830 555131671 /nfs/dbraw/zinc/13/16/71/555131671.db2.gz NCMPEINVANYLAC-YYTNDBLASA-N 0 1 580.681 5.691 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@@H]1c1ccco1 ZINC000102926037 555150332 /nfs/dbraw/zinc/15/03/32/555150332.db2.gz WCPPYOOMIUKFEA-HEIROHQZSA-N 0 1 510.678 8.708 50 0 KKAAMN Cc1nn(-c2nc3ccccc3s2)c2c1[C@H](c1ccc(F)cc1)C(c1nc3ccccc3s1)=C(c1ccccc1)N2 ZINC000102937586 555165624 /nfs/dbraw/zinc/16/56/24/555165624.db2.gz BMDVFVGBEYXADU-NDEPHWFRSA-N 0 1 571.706 8.665 50 0 KKAAMN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(C)cc1)C(c1nc3ccccc3s1)=C(c1ccccc1)N2 ZINC000102937622 555165722 /nfs/dbraw/zinc/16/57/22/555165722.db2.gz RRBWYOLWPUJFHV-LJAQVGFWSA-N 0 1 510.666 8.225 50 0 KKAAMN CC[C@@H]1N[C@@]2(c3ccccc3N(Cc3cccc4ccccc43)C2=O)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]21 ZINC000102937562 555165741 /nfs/dbraw/zinc/16/57/41/555165741.db2.gz ZRZZJVAOTLZBAC-YFUMRVTCSA-N 0 1 536.031 5.423 50 0 KKAAMN O=C(NCCc1ccccn1)c1cccc(CSc2nc(-c3ccccc3)cc(N3CCN(Cc4ccccc4)CC3)n2)c1 ZINC000102942992 555170821 /nfs/dbraw/zinc/17/08/21/555170821.db2.gz LAEDKAJQDPBYLV-UHFFFAOYSA-N 0 1 600.792 6.126 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)COc2ccc(Cl)cc2)ccc1N1CCCCC1 ZINC000102966164 555180135 /nfs/dbraw/zinc/18/01/35/555180135.db2.gz JQBAQPKKYZHVKG-UHFFFAOYSA-N 0 1 530.046 5.157 50 0 KKAAMN COc1cc(OC)c(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc(Oc4ccccc4)cc3)c2)cc1Cl ZINC000102976194 555186295 /nfs/dbraw/zinc/18/62/95/555186295.db2.gz YQCPPCCDVKRCOR-UHFFFAOYSA-N 0 1 553.036 6.511 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc32)ccc1C ZINC000102976494 555186482 /nfs/dbraw/zinc/18/64/82/555186482.db2.gz YXYFWXHQJFWYGQ-UHFFFAOYSA-N 0 1 613.692 6.298 50 0 KKAAMN Cc1c(NC(=O)[C@H](C)OC(=O)c2ccccc2NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)c(=O)n(-c2ccccc2)n1C ZINC000102982596 555188652 /nfs/dbraw/zinc/18/86/52/555188652.db2.gz OYHINOUPPUAZSD-QFIPXVFZSA-N 0 1 604.729 5.075 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3OCC)C2)[C@H]1c1ccc(OC)cc1 ZINC000102985406 555190445 /nfs/dbraw/zinc/19/04/45/555190445.db2.gz OEOQYAYJZKFKPJ-YUYWZBKDSA-N 0 1 538.688 8.224 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3OCC)C2)[C@@H]1c1ccc(OC)cc1 ZINC000102985401 555190484 /nfs/dbraw/zinc/19/04/84/555190484.db2.gz OEOQYAYJZKFKPJ-WOPWWUTRSA-N 0 1 538.688 8.224 50 0 KKAAMN COc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000102993957 555193621 /nfs/dbraw/zinc/19/36/21/555193621.db2.gz GVOZIBQQCUJDSI-UHFFFAOYSA-N 0 1 560.028 5.855 50 0 KKAAMN O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1cc(-c2ccco2)nc2ccccc21 ZINC000102998755 555198005 /nfs/dbraw/zinc/19/80/05/555198005.db2.gz SOPHGDMOBRDNPL-UHFFFAOYSA-N 0 1 538.412 6.855 50 0 KKAAMN O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000102998768 555198012 /nfs/dbraw/zinc/19/80/12/555198012.db2.gz MGDCMCZMLARTKQ-UHFFFAOYSA-N 0 1 557.299 7.084 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)ccc1N1CCOCC1 ZINC000103011809 555206457 /nfs/dbraw/zinc/20/64/57/555206457.db2.gz YEOOUSQZJSENME-UHFFFAOYSA-N 0 1 600.908 5.310 50 0 KKAAMN COc1ccc(NC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)c(C(=O)NC3CCCCC3)c2)c(OC)c1 ZINC000103024147 555214585 /nfs/dbraw/zinc/21/45/85/555214585.db2.gz PAAWGVNGVAIMJX-UHFFFAOYSA-N 0 1 571.722 5.733 50 0 KKAAMN COc1ccc2c(c1)c(CC(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000103040856 555224973 /nfs/dbraw/zinc/22/49/73/555224973.db2.gz ZOMGMPAHDWPKNK-UHFFFAOYSA-N 0 1 565.501 5.887 50 0 KKAAMN CCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COCc1ccccc1 ZINC000103072373 555252241 /nfs/dbraw/zinc/25/22/41/555252241.db2.gz QLZZUCUHPCZKRD-MGBGTMOVSA-N 0 1 583.817 6.717 50 0 KKAAMN CCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1ccc(C)cc1 ZINC000103072337 555252258 /nfs/dbraw/zinc/25/22/58/555252258.db2.gz RBSNECYWIUTGIK-UHFFFAOYSA-N 0 1 536.547 7.657 50 0 KKAAMN CCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COCc1ccccc1 ZINC000103072369 555252385 /nfs/dbraw/zinc/25/23/85/555252385.db2.gz QLZZUCUHPCZKRD-XIFFEERXSA-N 0 1 583.817 6.717 50 0 KKAAMN O=C(COC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1)N(Cc1ccccc1)Cc1ccccc1 ZINC000103102726 555280318 /nfs/dbraw/zinc/28/03/18/555280318.db2.gz JCGBSQFFCCNZJP-UHFFFAOYSA-N 0 1 583.493 6.180 50 0 KKAAMN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CCN2CCCCC2)C(=O)Nc2cccc(Cl)c2)s1 ZINC000103186620 555331776 /nfs/dbraw/zinc/33/17/76/555331776.db2.gz LCLNDGONTJNTOB-UHFFFAOYSA-N 0 1 557.135 6.398 50 0 KKAAMN COc1cc(CN(C)C(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4Cl)n[nH]3)cc2)cc(OC)c1OC ZINC000103189150 555332711 /nfs/dbraw/zinc/33/27/11/555332711.db2.gz SEWMQNXQBKQIFL-UHFFFAOYSA-N 0 1 526.420 6.349 50 0 KKAAMN CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(C(C)C)CC1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000103191405 555333640 /nfs/dbraw/zinc/33/36/40/555333640.db2.gz WBMKPFZYOSSBSL-UHFFFAOYSA-N 0 1 574.667 6.567 50 0 KKAAMN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CN(C[C@@H](O)COCc1ccccc1)CC1CC1 ZINC000103386951 555374285 /nfs/dbraw/zinc/37/42/85/555374285.db2.gz STSPBKQRPXHSAT-HHHXNRCGSA-N 0 1 533.619 6.041 50 0 KKAAMN COc1cccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000103513746 555422729 /nfs/dbraw/zinc/42/27/29/555422729.db2.gz QCJAKAPRBRZDBT-CDACFMRSSA-N 0 1 526.592 5.551 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccc(F)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000103518940 555424235 /nfs/dbraw/zinc/42/42/35/555424235.db2.gz HZGSWTBAPPLUJK-XYIJYTLJSA-N 0 1 542.610 6.380 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccc3c(c2)OCO3)[C@]12C(=O)Nc1ccccc12 ZINC000103538928 555437415 /nfs/dbraw/zinc/43/74/15/555437415.db2.gz XCICHDJMQPMFRE-BSYZOHBLSA-N 0 1 568.629 5.970 50 0 KKAAMN [O-]c1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccc(N4N=C(c5ccccc5)C[C@H]4c4ccccc4)cc3)cc2-c2ccccc2)cc1 ZINC000103562213 555449483 /nfs/dbraw/zinc/44/94/83/555449483.db2.gz SGGZPZOAXPPTER-SJARJILFSA-O 0 1 620.776 10.026 50 0 KKAAMN CCc1ccc2c(c1)[C@]1(C(=O)N2)N2CCC[C@@H]2[C@H](C(=O)c2ccc3ccccc3c2)[C@]12c1ccccc1NC2=O ZINC000251975272 562881686 /nfs/dbraw/zinc/88/16/86/562881686.db2.gz DEXFPUZLJYSAEO-KJVQYFSDSA-N 0 1 527.624 5.417 50 0 KKAAMN CC1=NN(c2ccc(C)cc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CCN(Cc3ccccc3)C[C@H]12 ZINC000103899898 571368971 /nfs/dbraw/zinc/36/89/71/571368971.db2.gz ZRXMRYXHPCGGLA-YTMVLYRLSA-N 0 1 529.482 5.414 50 0 KKAAMN C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000105062181 571391097 /nfs/dbraw/zinc/39/10/97/571391097.db2.gz ZUBFLAGZJNQECR-DNOBIOAJSA-N 0 1 596.577 5.453 50 0 KKAAMN O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000105280890 571392537 /nfs/dbraw/zinc/39/25/37/571392537.db2.gz TTYHUZLSZYXFKW-UHFFFAOYSA-N 0 1 536.481 5.065 50 0 KKAAMN CCOc1cc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)cc(Br)c1O ZINC000105796543 571408962 /nfs/dbraw/zinc/40/89/62/571408962.db2.gz RJVSPADDYRLXHJ-MQSCRBSSSA-N 0 1 588.252 5.367 50 0 KKAAMN COc1cccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000106017425 571410487 /nfs/dbraw/zinc/41/04/87/571410487.db2.gz HYJFNQZOYUKNBF-CUTZTJRCSA-N 0 1 554.646 6.250 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)cc1OC ZINC000106017528 571410510 /nfs/dbraw/zinc/41/05/10/571410510.db2.gz BXXVVYZUTAEBKP-TWJOJJKGSA-N 0 1 551.437 5.688 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 ZINC000106017640 571410564 /nfs/dbraw/zinc/41/05/64/571410564.db2.gz GYJZEXAULJKPHL-JCYYIGJDSA-N 0 1 554.986 5.619 50 0 KKAAMN CCOc1cc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000106021133 571410891 /nfs/dbraw/zinc/41/08/91/571410891.db2.gz KDWRELCAWIZHRN-IDZRBWSNSA-N 0 1 555.030 6.369 50 0 KKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(Br)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(F)ccc3N21 ZINC000108522383 571425951 /nfs/dbraw/zinc/42/59/51/571425951.db2.gz AGKBOHNBAXQCCL-NXNJFABFSA-N 0 1 531.381 5.150 50 0 KKAAMN COc1ccc(Br)cc1[C@@H]1c2c(O)n(-c3cccc(Cl)c3)c(O)c2ON1c1ccccc1 ZINC000137551837 571450455 /nfs/dbraw/zinc/45/04/55/571450455.db2.gz WYUHGIYAMHANNI-BHDDXSALSA-N 0 1 513.775 5.162 50 0 KKAAMN CC(C)(C)c1ccc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000137845792 571450570 /nfs/dbraw/zinc/45/05/70/571450570.db2.gz POKKWNDGYCCNNY-WXFUMESZSA-N 0 1 505.412 5.798 50 0 KKAAMN CC(C)(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000137845792 571450571 /nfs/dbraw/zinc/45/05/71/571450571.db2.gz POKKWNDGYCCNNY-WXFUMESZSA-N 0 1 505.412 5.798 50 0 KKAAMN Cc1c2c(c(C)c(C)c1S(=O)(=O)NC(=[NH2+])NCCCC[C@H](NC(=O)OCC1c3ccccc3-c3ccccc31)C(=O)[O-])OC(C)(C)C2 ZINC000150341190 571458059 /nfs/dbraw/zinc/45/80/59/571458059.db2.gz DOGZBRBJANHMLA-LJAQVGFWSA-N 0 1 662.809 5.290 50 0 KKAAMN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCCN3CCN(c4ccc(F)cc4)CC3)C2=S)cc1 ZINC000150390550 571472864 /nfs/dbraw/zinc/47/28/64/571472864.db2.gz ZOSCSUAYGWJANS-LJAQVGFWSA-N 0 1 652.192 5.199 50 0 KKAAMN COc1cc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Br)c(C)c2)cc(OC)c1OC ZINC000150403291 571478612 /nfs/dbraw/zinc/47/86/12/571478612.db2.gz NATAQRHKYPDJIH-XZOQPEGZSA-N 0 1 689.173 7.150 50 0 KKAAMN COc1ccc(Br)cc1[C@@H]1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)C(=O)N1c1ccc(Cl)cc1 ZINC000150403335 571478696 /nfs/dbraw/zinc/47/86/96/571478696.db2.gz OSGSHERXGSTTEC-NHCUHLMSSA-N 0 1 649.539 7.477 50 0 KKAAMN CCOc1cc([C@@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OCc1ccc(Cl)cc1 ZINC000150406119 571479651 /nfs/dbraw/zinc/47/96/51/571479651.db2.gz ZOFXCIBNFYUHKT-ZMQZVXGPSA-N 0 1 775.298 10.216 50 0 KKAAMN CCOc1cc([C@@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OCc1ccc(Cl)cc1 ZINC000150406113 571479730 /nfs/dbraw/zinc/47/97/30/571479730.db2.gz ZOFXCIBNFYUHKT-QHKNHCAJSA-N 0 1 775.298 10.216 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000150414242 571484994 /nfs/dbraw/zinc/48/49/94/571484994.db2.gz YGZMRESDSFEGSK-XIFFEERXSA-N 0 1 671.864 5.191 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCCN2CCN(c3ccccc3)CC2)cc1 ZINC000150414543 571485048 /nfs/dbraw/zinc/48/50/48/571485048.db2.gz AJDHOFHQNNIJHY-YTTGMZPUSA-N 0 1 657.837 5.195 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCCN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000150414343 571485140 /nfs/dbraw/zinc/48/51/40/571485140.db2.gz XZOXWMKYKSGKLR-YTTGMZPUSA-N 0 1 675.827 5.334 50 0 KKAAMN CCOc1cc([C@@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000150419696 571487206 /nfs/dbraw/zinc/48/72/06/571487206.db2.gz SIIKAVVURVKLAN-UNHQYKRWSA-N 0 1 685.220 10.190 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(Cl)ccc3Cl)c2)cc1 ZINC000150451190 571502815 /nfs/dbraw/zinc/50/28/15/571502815.db2.gz VMKBRYBIEIUICH-UHFFFAOYSA-N 0 1 640.954 6.509 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cc(-c3cccc4ccccc43)nc3ccccc32)ccc1N1CCCCC1 ZINC000150453234 571503388 /nfs/dbraw/zinc/50/33/88/571503388.db2.gz FEXCOOXYIZKLPL-UHFFFAOYSA-N 0 1 642.781 8.107 50 0 KKAAMN COc1ccc(Br)cc1[C@H]1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)C(=O)N1c1ccc(Br)cc1 ZINC000150453542 571503557 /nfs/dbraw/zinc/50/35/57/571503557.db2.gz LCTLBAFFGVTLRX-LEWJYISDSA-N 0 1 693.990 7.587 50 0 KKAAMN COc1cc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cc(F)ccc2C)cc(OC)c1OC ZINC000150455875 571504487 /nfs/dbraw/zinc/50/44/87/571504487.db2.gz FTIBWEUUPGBKBX-XZOQPEGZSA-N 0 1 628.267 6.526 50 0 KKAAMN COc1cc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cc(F)ccc2C)cc(OC)c1OC ZINC000150455868 571504623 /nfs/dbraw/zinc/50/46/23/571504623.db2.gz FTIBWEUUPGBKBX-GOTSBHOMSA-N 0 1 628.267 6.526 50 0 KKAAMN COc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Sc3ccc(Cl)cc3)cc2OC)cc(OC)c1 ZINC000170626718 571563132 /nfs/dbraw/zinc/56/31/32/571563132.db2.gz HVBWODBGPCJRQR-OAHLLOKOSA-N 0 1 537.059 5.286 50 0 KKAAMN CC[C@H](C)Oc1ccccc1[C@@H]1C2=C(C[C@H](c3ccc(OC)c(OC)c3)CC2=O)Nc2ccccc2N1C(C)=O ZINC000225919859 572082684 /nfs/dbraw/zinc/08/26/84/572082684.db2.gz NDFQGAPAMMDGMJ-DYOQGSCQSA-N 0 1 540.660 7.451 50 0 biogenic KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)Nc3ccc4nc(C)[nH]c4c3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263585191 572117045 /nfs/dbraw/zinc/11/70/45/572117045.db2.gz GCNPVQNSQCCGSM-IGKIAQTJSA-N 0 1 645.782 5.220 50 0 KKAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2ccc(OC)c(OCc3ccc(C(C)C)cc3)c2)cc1OC ZINC000263585854 572120571 /nfs/dbraw/zinc/12/05/71/572120571.db2.gz NGBFOGLPYNZHJF-VWLOTQADSA-N 0 1 622.670 7.335 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)Nc3ccc4nc(CC(C)C)[nH]c4c3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263586285 572122578 /nfs/dbraw/zinc/12/25/78/572122578.db2.gz SEBFBXMKTLJSTB-DFBJGRDBSA-N 0 1 627.742 5.377 50 0 KKAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2ccc(OCc3ccccc3)c(OC)c2)cc1OC ZINC000263586911 572126005 /nfs/dbraw/zinc/12/60/05/572126005.db2.gz ZLTOBIHKCIBKTR-QFIPXVFZSA-N 0 1 580.589 6.211 50 0 KKAAMN CC(C)(C)C(=O)[C@@H]1C(=C(O)c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000226841634 572143327 /nfs/dbraw/zinc/14/33/27/572143327.db2.gz AZKFRKYWHBXYFA-XZSHTLEFSA-N 0 1 545.466 6.582 50 0 KKAAMN CC(C)(C)C(=O)[C@@H]1C(=C(O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000226841531 572143645 /nfs/dbraw/zinc/14/36/45/572143645.db2.gz AOQJUWHDEYTHRR-XZSHTLEFSA-N 0 1 545.466 6.582 50 0 KKAAMN CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000226915145 572145199 /nfs/dbraw/zinc/14/51/99/572145199.db2.gz DMHNEUYLYCQTPN-OJDZSJEKSA-N 0 1 534.612 6.024 50 0 KKAAMN CCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000227025542 572147705 /nfs/dbraw/zinc/14/77/05/572147705.db2.gz AJACMJRKDCTOFA-JIMJEQGWSA-N 0 1 551.437 5.688 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 ZINC000227085243 572149756 /nfs/dbraw/zinc/14/97/56/572149756.db2.gz GYJZEXAULJKPHL-UPRLRBBYSA-N 0 1 554.986 5.619 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 ZINC000227236181 572151801 /nfs/dbraw/zinc/15/18/01/572151801.db2.gz CGUYSYHDJNQRAM-UPRLRBBYSA-N 0 1 572.976 5.758 50 0 KKAAMN CCCc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccs3)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227234735 572151846 /nfs/dbraw/zinc/15/18/46/572151846.db2.gz CEUVDOPQEYOOPU-ZXFZPVEDSA-N 0 1 558.703 6.947 50 0 KKAAMN COc1cccc(C(O)=C2[C@@H](C(=O)c3ccccc3Cl)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000227241293 572152265 /nfs/dbraw/zinc/15/22/65/572152265.db2.gz NGPBQPKJAPJDSF-WFPUBZAHSA-N 0 1 561.037 6.205 50 0 KKAAMN CCOc1cc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000227246784 572152839 /nfs/dbraw/zinc/15/28/39/572152839.db2.gz KDWRELCAWIZHRN-FRXPANAUSA-N 0 1 555.030 6.369 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2C(=C(O)c3ccc(OC)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4ccccc4N32)cc1 ZINC000229642739 572159067 /nfs/dbraw/zinc/15/90/67/572159067.db2.gz ATZUGKXQINDWCH-RJISQBBCSA-N 0 1 570.645 5.950 50 0 KKAAMN CC(C)Cc1ccc(C(O)=C2[C@H](C(=O)c3ccc(Br)cc3)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229858117 572161470 /nfs/dbraw/zinc/16/14/70/572161470.db2.gz PEJWZSVCSMCFQF-BEJGJRQXSA-N 0 1 631.570 7.504 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccc4c(c3)OCO4)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4ccccc4N32)c1 ZINC000229863678 572162438 /nfs/dbraw/zinc/16/24/38/572162438.db2.gz GMPLVWGCLIWWDZ-RJISQBBCSA-N 0 1 584.628 5.670 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3ccc(OC)c(OC)c3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229872610 572163889 /nfs/dbraw/zinc/16/38/89/572163889.db2.gz RZDHPPMODFUPJA-NLVFCZGTSA-N 0 1 586.644 5.569 50 0 KKAAMN CC(C)Cc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3Cl)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229889080 572165498 /nfs/dbraw/zinc/16/54/98/572165498.db2.gz YBGXFHSCFMYWJF-BEJGJRQXSA-N 0 1 587.119 7.395 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(=C(O)c2ccc3c(c2)OCO3)[C@]12C(=O)Nc1ccccc12 ZINC000229892428 572165713 /nfs/dbraw/zinc/16/57/13/572165713.db2.gz BFOJAMMFFULLIJ-YUAOJYLXSA-N 0 1 574.658 6.031 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccc(C)cc3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4ccccc4N32)c1 ZINC000229905977 572168132 /nfs/dbraw/zinc/16/81/32/572168132.db2.gz JAAFBTBVLKLPCL-BSYZOHBLSA-N 0 1 554.646 6.250 50 0 KKAAMN Cc1ccc(C(O)=C2[C@@H](C(=O)c3ccccc3Cl)N3c4ccccc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229940825 572171959 /nfs/dbraw/zinc/17/19/59/572171959.db2.gz DNYVYVFATVMBQS-WYODCFETSA-N 0 1 559.065 6.895 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000229944441 572172669 /nfs/dbraw/zinc/17/26/69/572172669.db2.gz SILKXLCKTCBRLP-ZPBGSLHZSA-N 0 1 583.526 6.736 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)[C@H](C(=O)c1ccc(CC(C)C)cc1)[C@]21C(=O)Nc2ccccc21 ZINC000229954001 572173520 /nfs/dbraw/zinc/17/35/20/572173520.db2.gz FXHZZFGCWKLNBS-BSYZOHBLSA-N 0 1 572.730 7.193 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(=C(O)c1ccccc1F)[C@@]21C(=O)Nc2ccccc21 ZINC000229974220 572175965 /nfs/dbraw/zinc/17/59/65/572175965.db2.gz FXNTZKVFCSKVPN-UCDUTVGFSA-N 0 1 508.593 5.804 50 0 KKAAMN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccc(Cl)cc2)C(=C(O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000229976939 572176015 /nfs/dbraw/zinc/17/60/15/572176015.db2.gz IDJVIDHNCGZBPO-YUAOJYLXSA-N 0 1 545.038 6.505 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(=C(O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000229981551 572176665 /nfs/dbraw/zinc/17/66/65/572176665.db2.gz GEVDKQLPVVXEBG-AGKKXDHOSA-N 0 1 530.649 6.303 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(C(=O)c3ccco3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4ccccc4N32)c1 ZINC000230026431 572179694 /nfs/dbraw/zinc/17/96/94/572179694.db2.gz SGSXNADEYJDAMK-KCIBBDPESA-N 0 1 530.580 5.534 50 0 KKAAMN CCCCCc1ccc(C(O)=C2[C@H](C(=O)c3ccc(OC)cc3)N3c4ccccc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245245599 572217669 /nfs/dbraw/zinc/21/76/69/572217669.db2.gz DVJRTYAMBKNLET-MRIQTALFSA-N 0 1 610.754 7.674 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(=C(O)c2ccc(Cl)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000245246838 572220008 /nfs/dbraw/zinc/22/00/08/572220008.db2.gz PJICONYPPBJKPV-UODPJZIASA-N 0 1 565.094 6.956 50 0 KKAAMN O=C1[C@@H]2ON(c3ccccc3)[C@H]([C@@H]3c4c(O)n(-c5ccc(Cl)cc5)c(O)c4ON3c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000245247545 572220876 /nfs/dbraw/zinc/22/08/76/572220876.db2.gz VIRDWPWYSQXOLX-XZSFGIKTSA-N 0 1 655.494 5.050 50 0 KKAAMN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(=C(O)c2ccccc2F)[C@@]12C(=O)Nc1ccccc12 ZINC000245247830 572221247 /nfs/dbraw/zinc/22/12/47/572221247.db2.gz YBBWWYMELMAGHI-UCDUTVGFSA-N 0 1 508.593 5.723 50 0 KKAAMN CC(C)(C)C(=O)[C@@H]1C(=C(O)c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000245309102 572226973 /nfs/dbraw/zinc/22/69/73/572226973.db2.gz AZKFRKYWHBXYFA-PCEYSVKOSA-N 0 1 545.466 6.582 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(=C(O)c1ccccc1)[C@]21C(=O)Nc2ccccc21 ZINC000245309798 572227613 /nfs/dbraw/zinc/22/76/13/572227613.db2.gz GKXMUNUXSDHWSP-CKXMCULTSA-N 0 1 516.622 5.994 50 0 KKAAMN FC(F)Oc1cccc(C2=NN3[C@H](C2)c2ccccc2OC32CCN([C@H]3CCCc4ccccc43)CC2)c1 ZINC000245309427 572227656 /nfs/dbraw/zinc/22/76/56/572227656.db2.gz CTHQDRHOBNALTE-WUFINQPMSA-N 0 1 515.604 6.701 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(=C(O)c1ccccc1F)[C@@]21C(=O)Nc2ccccc21 ZINC000245309744 572227664 /nfs/dbraw/zinc/22/76/64/572227664.db2.gz FXNTZKVFCSKVPN-XTQYNZLPSA-N 0 1 508.593 5.804 50 0 KKAAMN Cc1ccc(C(O)=C2[C@@H](C(=O)c3cccs3)N3c4ccccc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245309976 572228087 /nfs/dbraw/zinc/22/80/87/572228087.db2.gz GNARQZJKIVFXNO-UODPJZIASA-N 0 1 530.649 6.303 50 0 KKAAMN CCCCCc1ccc(C(=O)[C@@H]2[C@H](C(C)=O)N3c4ccc(F)cc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245312314 572229714 /nfs/dbraw/zinc/22/97/14/572229714.db2.gz UBMQMRFPLBZFGT-ZGDGUDBWSA-N 0 1 522.620 6.121 50 0 KKAAMN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@H](C(=O)c2ccc(CC(C)C)cc2)[C@]12c1ccccc1NC2=O ZINC000245312570 572229811 /nfs/dbraw/zinc/22/98/11/572229811.db2.gz VYVHRPGSHGXTNI-NDCXGSNASA-N 0 1 546.711 6.782 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(=C(O)c1ccccc1Cl)[C@]21C(=O)Nc2ccccc21 ZINC000245312635 572230288 /nfs/dbraw/zinc/23/02/88/572230288.db2.gz WRHSBJXEQMDBBO-GZNUUUAQSA-N 0 1 525.048 6.319 50 0 KKAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000245343377 572238482 /nfs/dbraw/zinc/23/84/82/572238482.db2.gz NDXPHCQJFPTDEB-FNWWCKPFSA-N 0 1 527.734 5.257 50 0 KKAAMN C[C@H]1CN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000245343404 572238642 /nfs/dbraw/zinc/23/86/42/572238642.db2.gz NYUDNNDZEZYLFM-XRHLQHRESA-N 0 1 560.522 5.905 50 0 KKAAMN O=C(NCc1ccccc1Cl)[C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247459665 572242212 /nfs/dbraw/zinc/24/22/12/572242212.db2.gz AKLWVYCKPKUJCH-FQEVSTJZSA-N 0 1 537.889 5.970 50 0 KKAAMN O=C(NCc1ccc(Cl)cc1)[C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247482622 572242384 /nfs/dbraw/zinc/24/23/84/572242384.db2.gz JNAKOLFAGAUTIQ-FQEVSTJZSA-N 0 1 537.889 5.970 50 0 KKAAMN O=C(NCc1ccc(Br)cc1)[C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247488262 572242404 /nfs/dbraw/zinc/24/24/04/572242404.db2.gz LLMGXIPNHFPWMU-FQEVSTJZSA-N 0 1 582.340 6.079 50 0 KKAAMN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247494814 572242632 /nfs/dbraw/zinc/24/26/32/572242632.db2.gz NUTOGOBFQCCGMH-QGZVFWFLSA-N 0 1 558.307 6.946 50 0 KKAAMN O=C(NCc1ccccc1)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247526627 572242922 /nfs/dbraw/zinc/24/29/22/572242922.db2.gz ZKUYSKBEBNXWOD-OAQYLSRUSA-N 0 1 503.444 5.316 50 0 KKAAMN O=C(Nc1ccc(F)cc1)[C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247724772 572243862 /nfs/dbraw/zinc/24/38/62/572243862.db2.gz CYNIITRKXQWVPM-SFHVURJKSA-N 0 1 507.407 5.778 50 0 KKAAMN O=C(Nc1ccc(Br)cc1)[C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)C1 ZINC000247736914 572244232 /nfs/dbraw/zinc/24/42/32/572244232.db2.gz LJPMGWFWZOKQBI-SFHVURJKSA-N 0 1 507.407 5.778 50 0 KKAAMN O=C(Nc1ccccc1C(F)(F)F)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247739660 572244262 /nfs/dbraw/zinc/24/42/62/572244262.db2.gz MWXMBQXJOFZRQA-GOSISDBHSA-N 0 1 557.414 6.658 50 0 KKAAMN O=C(Nc1ccc(Cl)cc1)[C@@H]1C(=C(O)c2ccc(F)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000247750009 572244436 /nfs/dbraw/zinc/24/44/36/572244436.db2.gz SZTCXLXVQOTQNF-CILKRHGOSA-N 0 1 564.016 6.091 50 0 KKAAMN O=C(Nc1ccccc1Cl)[C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247758774 572244687 /nfs/dbraw/zinc/24/46/87/572244687.db2.gz ZCPQVKWUKDDWQR-SFHVURJKSA-N 0 1 523.862 6.292 50 0 KKAAMN O=C(Nc1ccc(F)cc1)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247757116 572244798 /nfs/dbraw/zinc/24/47/98/572244798.db2.gz XYCWWDFFYKGRHQ-GOSISDBHSA-N 0 1 507.407 5.778 50 0 KKAAMN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247759698 572244987 /nfs/dbraw/zinc/24/49/87/572244987.db2.gz ZXVUQBALAWJPAL-QGZVFWFLSA-N 0 1 558.307 6.946 50 0 KKAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccc(F)cc2F)CC1 ZINC000247840799 572245918 /nfs/dbraw/zinc/24/59/18/572245918.db2.gz FJVUTYANCLFBOR-HSZRJFAPSA-N 0 1 564.080 5.577 50 0 KKAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2ccccc2Cl)CC1 ZINC000247839124 572245933 /nfs/dbraw/zinc/24/59/33/572245933.db2.gz DWNZHSXQBYYBMB-JOCHJYFZSA-N 0 1 592.969 6.002 50 0 KKAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2ccccc2)CC1 ZINC000247841026 572245949 /nfs/dbraw/zinc/24/59/49/572245949.db2.gz FLUYFQCDVMSAFA-QHCPKHFHSA-N 0 1 558.524 5.349 50 0 KKAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000247868515 572247139 /nfs/dbraw/zinc/24/71/39/572247139.db2.gz PTAQYLFHRYBJMG-JOCHJYFZSA-N 0 1 592.969 6.002 50 0 KKAAMN COc1ccc(Cn2c(CN3CCC[C@H](C(=O)N4CCN(c5ccccc5C(F)(F)F)CC4)C3)nc3ccccc32)cc1 ZINC000247881104 572247908 /nfs/dbraw/zinc/24/79/08/572247908.db2.gz JBZHCTYZANZDCZ-VWLOTQADSA-N 0 1 591.678 5.673 50 0 KKAAMN Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)c(C)c1 ZINC000247876265 572248142 /nfs/dbraw/zinc/24/81/42/572248142.db2.gz ONLVXUZMKTUAIB-OAQYLSRUSA-N 0 1 517.471 6.256 50 0 KKAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000247882591 572248286 /nfs/dbraw/zinc/24/82/86/572248286.db2.gz WDIWEMSLPMBZMG-DEOSSOPVSA-N 0 1 596.097 6.318 50 0 KKAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000247882595 572248421 /nfs/dbraw/zinc/24/84/21/572248421.db2.gz WDIWEMSLPMBZMG-XMMPIXPASA-N 0 1 596.097 6.318 50 0 KKAAMN Cc1ccc(C)c(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)c1 ZINC000247895488 572248681 /nfs/dbraw/zinc/24/86/81/572248681.db2.gz XFXKCKRXMMGOGZ-RUZDIDTESA-N 0 1 525.672 5.342 50 0 KKAAMN CCCCN(CCC)C(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247972619 572251291 /nfs/dbraw/zinc/25/12/91/572251291.db2.gz DOSXXQFLPXVCMN-OAQYLSRUSA-N 0 1 511.508 6.039 50 0 KKAAMN CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1cc(C(F)(F)F)ccc1N1CCN(Cc3ccccc3)C[C@H]12 ZINC000248012033 572252170 /nfs/dbraw/zinc/25/21/70/572252170.db2.gz JGIYYOLCDWVHMV-XCZPVHLTSA-N 0 1 504.556 5.361 50 0 KKAAMN Cc1ccc(N2CCN(C(=O)[C@H]3CCCN(Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)cc1 ZINC000248083674 572253217 /nfs/dbraw/zinc/25/32/17/572253217.db2.gz DQVFRHXIWXRRCN-DEOSSOPVSA-N 0 1 572.551 5.657 50 0 KKAAMN CCc1ccc(C(=O)N2CCCN(C(=O)[C@H](C)N3CCc4sccc4[C@H]3c3ccccc3C)CC2)cc1 ZINC000248112813 572253816 /nfs/dbraw/zinc/25/38/16/572253816.db2.gz TWMAHXODAVPQFG-MUAVYFROSA-N 0 1 515.723 5.330 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccc(CC(C)C)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000248204232 572256596 /nfs/dbraw/zinc/25/65/96/572256596.db2.gz YVZIQDUSNTVFNS-TYXZPGKRSA-N 0 1 580.728 7.440 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@H](C(=O)c2ccc(Cl)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000248233897 572256750 /nfs/dbraw/zinc/25/67/50/572256750.db2.gz BHYUNAMVVSPDAI-YENKVUBUSA-N 0 1 539.075 6.627 50 0 KKAAMN CC(C)(C)C(=O)[C@@H]1[C@H](C(=O)c2ccc3c(c2)OCO3)[C@]2(c3ccccc3NC2=O)[C@@H]2C=Cc3ccccc3N21 ZINC000248245579 572257028 /nfs/dbraw/zinc/25/70/28/572257028.db2.gz GURBPAKAZJMRTE-XTQYNZLPSA-N 0 1 520.585 5.004 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c1ccc(Cl)cc1)[C@]21C(=O)Nc2ccccc21 ZINC000248263236 572257429 /nfs/dbraw/zinc/25/74/29/572257429.db2.gz NEFDMADXSQLBSS-GZNUUUAQSA-N 0 1 525.048 6.319 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)[C@H](C(=O)c1ccc(Cl)cc1)[C@@]21C(=O)Nc2ccccc21 ZINC000248263237 572257530 /nfs/dbraw/zinc/25/75/30/572257530.db2.gz NEFDMADXSQLBSS-XTQYNZLPSA-N 0 1 525.048 6.319 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccc4c(c3)OCO4)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)c1 ZINC000248331070 572258196 /nfs/dbraw/zinc/25/81/96/572258196.db2.gz GMPLVWGCLIWWDZ-CWDXJPQLSA-N 0 1 584.628 5.670 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(=C(O)c1ccc(CC(C)C)cc1)[C@@]21C(=O)Nc2ccccc21 ZINC000248338199 572258305 /nfs/dbraw/zinc/25/83/05/572258305.db2.gz QYLVZMIETVLXEO-OXWPWTPBSA-N 0 1 566.701 7.131 50 0 KKAAMN CCc1cccc(NC(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)c1 ZINC000252007403 572259750 /nfs/dbraw/zinc/25/97/50/572259750.db2.gz PQYGQNYRYYTAHV-NRFANRHFSA-N 0 1 517.471 6.201 50 0 KKAAMN CC(C)c1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)cc1 ZINC000252241534 572259813 /nfs/dbraw/zinc/25/98/13/572259813.db2.gz KIMWTZLUPPMJNU-MUUNZHRXSA-N 0 1 570.181 6.422 50 0 KKAAMN CC(C)c1ccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)cc1 ZINC000252241534 572259815 /nfs/dbraw/zinc/25/98/15/572259815.db2.gz KIMWTZLUPPMJNU-MUUNZHRXSA-N 0 1 570.181 6.422 50 0 KKAAMN CCc1ccc(N2CCN(C(=O)[C@H]3CCCN(Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)cc1 ZINC000252011717 572259910 /nfs/dbraw/zinc/25/99/10/572259910.db2.gz SKTAGOOLYNIFJI-VWLOTQADSA-N 0 1 586.578 5.911 50 0 KKAAMN CC(C)c1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)cc1 ZINC000252253054 572259916 /nfs/dbraw/zinc/25/99/16/572259916.db2.gz LZOIFNWXAUTNQS-AREMUKBSSA-N 0 1 600.605 6.472 50 0 KKAAMN CC(C)c1ccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)cc1 ZINC000252253054 572259917 /nfs/dbraw/zinc/25/99/17/572259917.db2.gz LZOIFNWXAUTNQS-AREMUKBSSA-N 0 1 600.605 6.472 50 0 KKAAMN CCCc1ccccc1NC(=O)[C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000252310933 572259995 /nfs/dbraw/zinc/25/99/95/572259995.db2.gz RPGAKFDATPNBEX-QFIPXVFZSA-N 0 1 531.498 6.591 50 0 KKAAMN CN(C)[C@@H](CNC(=O)COc1ccc([C@@H]2CC[C@@H](N(C)C(=O)c3ccc(Cl)cc3)CC2)cc1)c1cccs1 ZINC000252511178 572262125 /nfs/dbraw/zinc/26/21/25/572262125.db2.gz DRCOCFDINNOWNZ-NOOLENRPSA-N 0 1 554.156 5.998 50 0 KKAAMN O=[N+]([O-])c1ccc(Nc2nc(N=NCc3cc(Br)cc(Br)c3O)nc(N3CCCCCC3)n2)cc1 ZINC000252588344 572266408 /nfs/dbraw/zinc/26/64/08/572266408.db2.gz AAUBITCAOYUJTB-UHFFFAOYSA-N 0 1 606.279 5.580 50 0 KKAAMN O=c1c(=Cc2cc(Cl)cc(Cl)c2O)sc2n1[C@H](c1ccc(Cl)cc1Cl)C1=C(N=2)c2ccccc2CC1 ZINC000252670094 572275575 /nfs/dbraw/zinc/27/55/75/572275575.db2.gz JNLPMLOGDRHXTE-XMMPIXPASA-N 0 1 574.316 6.638 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccc(F)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000253389801 572283456 /nfs/dbraw/zinc/28/34/56/572283456.db2.gz HZGSWTBAPPLUJK-DDWAFBAVSA-N 0 1 542.610 6.380 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)Nc3ccc4nc(CC(C)C)[nH]c4c3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253409874 572287180 /nfs/dbraw/zinc/28/71/80/572287180.db2.gz MORUMOGZYRQVLQ-JKFCTSDTSA-N 0 1 655.796 6.013 50 0 KKAAMN O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c(O)c1-3)[C@H](c1ccccc1OCc1ccccn1)CC(=O)O2 ZINC000253412639 572288085 /nfs/dbraw/zinc/28/80/85/572288085.db2.gz RPGGGJSIMJHOAB-NRFANRHFSA-N 0 1 525.944 6.234 50 0 KKAAMN COc1ccc(CCOc2ccccc2[C@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc1 ZINC000253412922 572288234 /nfs/dbraw/zinc/28/82/34/572288234.db2.gz SLXFYCDKLPOKIF-OAQYLSRUSA-N 0 1 514.530 5.081 50 0 KKAAMN O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1[C@H](C(=O)c2ccc(Br)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000253487243 572290365 /nfs/dbraw/zinc/29/03/65/572290365.db2.gz HFKVUXRQAYZYBS-ZAVXRQLCSA-N 0 1 681.586 7.755 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3cccc(OC)c3)N3c4ccc(C)cc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000253487446 572290596 /nfs/dbraw/zinc/29/05/96/572290596.db2.gz KNZGIGYEWUSNDD-DQGIEBHESA-N 0 1 584.672 6.258 50 0 KKAAMN O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1[C@H](C(=O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000253487493 572290600 /nfs/dbraw/zinc/29/06/00/572290600.db2.gz LCKSGIXFRYZEAE-RDEHZVQUSA-N 0 1 637.135 7.646 50 0 KKAAMN O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1[C@H](C(=O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000253487494 572290688 /nfs/dbraw/zinc/29/06/88/572290688.db2.gz LCKSGIXFRYZEAE-ZAVXRQLCSA-N 0 1 637.135 7.646 50 0 KKAAMN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccc3c(c2)OCO3)[C@@]12C(=O)Nc1ccccc12 ZINC000253488128 572291264 /nfs/dbraw/zinc/29/12/64/572291264.db2.gz XPLLHDKAEAOFPM-OLBUMSFYSA-N 0 1 554.602 5.580 50 0 KKAAMN Cc1ccc2c(c1)N1[C@@H](C=C2)[C@]2(C(=O)Nc3ccccc32)C(=C(O)c2ccc3c(c2)OCO3)[C@H]1C(=O)c1ccccc1 ZINC000253488191 572291396 /nfs/dbraw/zinc/29/13/96/572291396.db2.gz ZBKAONJLZFUVIC-OLBUMSFYSA-N 0 1 554.602 5.580 50 0 KKAAMN CCCc1ccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)cc1 ZINC000253607350 572300901 /nfs/dbraw/zinc/30/09/01/572300901.db2.gz OSXGUIWLZRQMGJ-AREMUKBSSA-N 0 1 600.605 6.301 50 0 KKAAMN CCCc1ccc(N2CCN(C(=O)[C@H]3CCCN(Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)cc1 ZINC000253607346 572300908 /nfs/dbraw/zinc/30/09/08/572300908.db2.gz OQJGNVHGCCEQBU-SANMLTNESA-N 0 1 600.605 6.301 50 0 KKAAMN CC(C)c1ccccc1N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000253607600 572301026 /nfs/dbraw/zinc/30/10/26/572301026.db2.gz ZDYVIJNYFJAFTP-HHHXNRCGSA-N 0 1 570.181 6.422 50 0 KKAAMN O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c([O-])c1-3)[C@H](c1cc3cc4c(cc3[nH]c1=O)OCO4)CC(=O)O2 ZINC000253623782 572301731 /nfs/dbraw/zinc/30/17/31/572301731.db2.gz LLHJXODPYGGYCJ-HNNXBMFYSA-N 0 1 529.888 5.243 50 0 KKAAMN O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c(O)c1-3)[C@H](c1cc3cc4c(cc3[nH]c1=O)OCO4)CC(=O)O2 ZINC000253623782 572301732 /nfs/dbraw/zinc/30/17/32/572301732.db2.gz LLHJXODPYGGYCJ-HNNXBMFYSA-N 0 1 529.888 5.243 50 0 KKAAMN COc1ccc2cc([C@H]3CC(=O)Oc4cc(=O)c5c(O)c(-c6ccc(Cl)cc6)coc-5c43)c(=O)[nH]c2c1 ZINC000253623843 572301802 /nfs/dbraw/zinc/30/18/02/572301802.db2.gz QACIDWKQFYUGDF-QGZVFWFLSA-N 0 1 515.905 5.522 50 0 KKAAMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1N=NCc1ccc(OC(F)F)cc1OC(F)F ZINC000254924533 1069727786 /nfs/dbraw/zinc/72/77/86/1069727786.db2.gz NWAGEQWSNSELKJ-UHFFFAOYSA-N 0 1 562.885 5.698 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C(=O)Nc3ccc4nc(C)[nH]c4c3)C(C)C)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409415234 1069813324 /nfs/dbraw/zinc/81/33/24/1069813324.db2.gz XPRQINNUXKBVMF-WBBHLRKXSA-N 0 1 613.715 5.123 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CCSC)C(=O)Nc3ccc4nc(C)[nH]c4c3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000409413897 1069810192 /nfs/dbraw/zinc/81/01/92/1069810192.db2.gz GCNPVQNSQCCGSM-RPLLCQBOSA-N 0 1 645.782 5.220 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CCSC)C(=O)Nc3ccc4nc(CC(C)C)[nH]c4c3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409413871 1069810509 /nfs/dbraw/zinc/81/05/09/1069810509.db2.gz VETIXJCJHRMEPI-GGXMVOPNSA-N 0 1 687.863 6.110 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C)C(=O)Nc3ccc4nc(CCc5ccccc5)[nH]c4c3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409414780 1069810936 /nfs/dbraw/zinc/81/09/36/1069810936.db2.gz OEYQEKBCVARNGX-KPURRNSFSA-N 0 1 675.786 5.964 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2C(=C(O)c3ccc(C)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000524732496 1069836080 /nfs/dbraw/zinc/83/60/80/1069836080.db2.gz JKDVOPPSKQIMEM-JMNGKNCGSA-N 0 1 552.674 6.858 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1ccc(/C=C\C(=O)Nc2ccc(I)cc2C)cc1 ZINC000103000798 1070953439 /nfs/dbraw/zinc/95/34/39/1070953439.db2.gz HVESPIMFHNKLCT-ZROIWOOFSA-N 0 1 548.402 5.061 50 0 KKAAMN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C=Cc2ccccc2)[C@@H]3c2cccnc2)cc1 ZINC000103972913 1070971222 /nfs/dbraw/zinc/97/12/22/1070971222.db2.gz CPPNKGWJPYMOPK-FBZWXUMRSA-N 0 1 511.625 7.654 50 0 KKAAMN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(-c2ccc(OC)cc2OC)n[nH]1 ZINC000888089227 1071059345 /nfs/dbraw/zinc/05/93/45/1071059345.db2.gz PJXHFJGGWYEHGO-ZBVFCZEXSA-N 0 1 700.793 5.131 50 0 KKAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(-c2ccc(OC)cc2OC)n[nH]1 ZINC000888089225 1071058581 /nfs/dbraw/zinc/05/85/81/1071058581.db2.gz PJXHFJGGWYEHGO-MUGYHNDRSA-N 0 1 700.793 5.131 50 0 KKAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c(CCc2ccc(OC)c(OC)c2)n1 ZINC000888089852 1071062329 /nfs/dbraw/zinc/06/23/29/1071062329.db2.gz KYPPZUHEYJBGDV-GCBXOWIRSA-N 0 1 728.847 5.249 50 0 KKAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(CCc2ccc(OC)c(OC)c2)n[nH]1 ZINC000888089852 1071062340 /nfs/dbraw/zinc/06/23/40/1071062340.db2.gz KYPPZUHEYJBGDV-GCBXOWIRSA-N 0 1 728.847 5.249 50 0 KKAAMN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(-c2cc3ccccc3[nH]2)n[nH]1 ZINC000888090270 1071063128 /nfs/dbraw/zinc/06/31/28/1071063128.db2.gz PGERWJLHYICYQT-SJDKQRRASA-N 0 1 679.778 5.595 50 0 KKAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(C2CCCCC2)n[nH]1 ZINC000888090124 1071063781 /nfs/dbraw/zinc/06/37/81/1071063781.db2.gz DBRXYRLDLOPRKM-VSBMSIFKSA-N 0 1 646.789 5.494 50 0 KKAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c(C2CCCCC2)n1 ZINC000888090124 1071063790 /nfs/dbraw/zinc/06/37/90/1071063790.db2.gz DBRXYRLDLOPRKM-VSBMSIFKSA-N 0 1 646.789 5.494 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CCSC)C(=O)Nc3nc(C4CCCCC4)n[nH]3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000888090789 1071066488 /nfs/dbraw/zinc/06/64/88/1071066488.db2.gz UZTVGRVLBHSSNM-AOYPEHQESA-N 0 1 664.829 5.201 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CCSC)C(=O)Nc3n[nH]c(C4CCCCC4)n3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000888090789 1071066504 /nfs/dbraw/zinc/06/65/04/1071066504.db2.gz UZTVGRVLBHSSNM-AOYPEHQESA-N 0 1 664.829 5.201 50 0 KKAAMN COc1ccc(NC(=O)/C=C\c2cccc(Br)c2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000102994145 1071080626 /nfs/dbraw/zinc/08/06/26/1071080626.db2.gz HVSLWALNYATDEZ-XGICHPGQSA-N 0 1 521.820 5.564 50 0 KKAAMN COc1ccc(NC(=O)c2ccc(NS(=O)(=O)/C=C\c3ccccc3)cc2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000102993950 1071080799 /nfs/dbraw/zinc/08/07/99/1071080799.db2.gz MMXADKSLLUTZDV-ZCXUNETKSA-N 0 1 581.647 5.300 50 0 KKAAMN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(-c2ccc(OC)cc2OC)n[nH]1 ZINC000604405069 1071271966 /nfs/dbraw/zinc/27/19/66/1071271966.db2.gz PJXHFJGGWYEHGO-FZADTRDJSA-N 0 1 700.793 5.131 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccc(CC(C)C)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)c1 ZINC000604418732 1071274496 /nfs/dbraw/zinc/27/44/96/1071274496.db2.gz SQNVYPDRDQGODL-ITMBJVNVSA-N 0 1 596.727 7.140 50 0 KKAAMN COC(=O)C[C@@H](c1ccc(-c2ccc(Cl)cc2Cl)o1)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O ZINC000604418996 1071274552 /nfs/dbraw/zinc/27/45/52/1071274552.db2.gz DKPCNFOJELPULY-SFHVURJKSA-N 0 1 516.381 5.090 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1ccc(/C=C\C(=O)Nc2ccc(Br)c(C)c2)cc1 ZINC000035238854 1072825492 /nfs/dbraw/zinc/82/54/92/1072825492.db2.gz FSIOQVHNQKXUCL-ZROIWOOFSA-N 0 1 501.402 5.219 50 0 KKAAMN CCCCCCCCOc1ccc(C=N/N=C2\NC(=O)C(Cc3ccc(SC(F)F)cc3)S2)cc1 ZINC000254492118 1072858626 /nfs/dbraw/zinc/85/86/26/1072858626.db2.gz CKOGNWQLTXOYOY-HSZRJFAPSA-N 0 1 519.683 6.905 50 0 KKAAMN COc1ccc(/C=C\C(=O)O[C@H](c2cccnc2)[P@](=O)(O[C@@H]2C[C@H](C(C)C)CC[C@H]2C)O[C@@H]2C[C@H](C(C)C)CC[C@@H]2C)cc1 ZINC000254594306 1072866520 /nfs/dbraw/zinc/86/65/20/1072866520.db2.gz BGLKDUSYCRWUGX-XCJFGUCKSA-N 0 1 625.787 9.493 50 0 KKAAMN CCOc1ccc(N=C2S[C@H](CC(=O)c3ccc(Cl)cc3)C(=O)N2c2ccc(OCC)cc2)cc1 ZINC000254792746 1072879342 /nfs/dbraw/zinc/87/93/42/1072879342.db2.gz ZAZAAGBTWNMHNR-RUZDIDTESA-N 0 1 509.027 6.547 50 0 KKAAMN COc1ccc([N+](=O)[O-])cc1-c1ccc(CN=Nc2nc(Nc3cc(Cl)c(C)cc3Br)nc(N3CCOCC3)n2)o1 ZINC000150474816 1072904766 /nfs/dbraw/zinc/90/47/66/1072904766.db2.gz SFYRVTAWVAQESR-IPPBACCNSA-N 0 1 643.886 5.799 50 0 KKAAMN O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Oc4ccc(-c5nc(-c6ccc([N+](=O)[O-])cc6)[nH]c5-c5ccccc5)cc4)cc3)[nH]2)cc1 ZINC000150485268 1072904794 /nfs/dbraw/zinc/90/47/94/1072904794.db2.gz AJBWEBZZHPAXPY-UHFFFAOYSA-N 0 1 696.723 10.744 50 0 KKAAMN O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Oc4ccc(-c5[nH]c(-c6ccc([N+](=O)[O-])cc6)nc5-c5ccccc5)cc4)cc3)[nH]2)cc1 ZINC000150485268 1072904812 /nfs/dbraw/zinc/90/48/12/1072904812.db2.gz AJBWEBZZHPAXPY-UHFFFAOYSA-N 0 1 696.723 10.744 50 0 KKAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(COc4ccc(Br)cc4)o3)cc2)n1 ZINC000000652932 551512960 /nfs/dbraw/zinc/51/29/60/551512960.db2.gz PBVZAGLWQFROJE-UHFFFAOYSA-N 0 1 557.426 5.081 50 0 KKAAMN CCOC(=O)c1cc(CC)sc1NC(=O)c1cc2ccccc2cc1NS(=O)(=O)c1ccc(C)cc1 ZINC000000846138 551548816 /nfs/dbraw/zinc/54/88/16/551548816.db2.gz IIJJEAZLQNCULK-UHFFFAOYSA-N 0 1 522.648 6.002 50 0 KKAAMN Cc1oc2c(cc(NS(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4)c3ccccc23)c1C(=O)OC(C)C ZINC000001212919 551625686 /nfs/dbraw/zinc/62/56/86/551625686.db2.gz UGMUHULEEQJZOG-UHFFFAOYSA-N 0 1 514.559 5.979 50 0 KKAAMN COc1cc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000001237358 551629936 /nfs/dbraw/zinc/62/99/36/551629936.db2.gz NCMPEINVANYLAC-LYNDRFBJSA-N 0 1 580.681 5.691 50 0 KKAAMN 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COc1ccc(S[C@@H]2C[C@@H](C(=O)NCc3cn4ccccc4n3)N(Cc3cc(C)c(OC)cc3C)C2)cc1 ZINC000012242025 553354549 /nfs/dbraw/zinc/35/45/49/553354549.db2.gz CWRVEYUJDXSZIP-SXOMAYOGSA-N 0 1 530.694 5.020 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)C2CCC(C(C)(C)C)CC2)ccc1N1CCCC1 ZINC000012531249 553386223 /nfs/dbraw/zinc/38/62/23/553386223.db2.gz ASQRUSFOMGWREQ-UHFFFAOYSA-N 0 1 513.704 5.887 50 0 KKAAMN O=C(c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)N1CCC(Cc2ccccc2)CC1 ZINC000012561261 553394587 /nfs/dbraw/zinc/39/45/87/553394587.db2.gz PQUMBWCWTKQMOO-UHFFFAOYSA-N 0 1 503.451 5.889 50 0 KKAAMN CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(Nc3ccc(OC)cc3)cc2)cc1 ZINC000012563077 553395335 /nfs/dbraw/zinc/39/53/35/553395335.db2.gz FZEJWUJYNMURHZ-UHFFFAOYSA-N 0 1 517.607 5.891 50 0 KKAAMN COc1cc2nc(SCc3ccccc3C(F)(F)F)n3c(CC4CCCCC4)c(O)nc3c2cc1OC ZINC000012951520 553428773 /nfs/dbraw/zinc/42/87/73/553428773.db2.gz RTGFKCUIBSBSHR-NRFANRHFSA-N 0 1 531.600 6.585 50 0 KKAAMN O=C(Nn1ccc(O)c(Cc2ccc(Cl)cc2Cl)c1=O)c1sccc1OCc1ccc(F)cc1 ZINC000012957805 553430193 /nfs/dbraw/zinc/43/01/93/553430193.db2.gz BRYRVAJGAUMUQJ-UHFFFAOYSA-N 0 1 519.381 5.615 50 0 KKAAMN CCN1CCN(c2cc(C)c3cc(NC(=O)c4cc(-c5cccs5)nc5ccccc54)ccc3n2)CC1 ZINC000013671929 553482145 /nfs/dbraw/zinc/48/21/45/553482145.db2.gz MPLFGSSKQRHUCS-UHFFFAOYSA-N 0 1 507.663 6.214 50 0 KKAAMN CN1CC2=C(N=C3SC=C(c4ccc(Cl)cc4)N3[C@@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 ZINC000013686467 553485359 /nfs/dbraw/zinc/48/53/59/553485359.db2.gz FTKWEAPMPISEDC-GHMVGRGESA-N 0 1 518.032 7.359 50 0 KKAAMN FC(F)Oc1cccc(C2=NN3[C@H](C2)c2ccccc2OC32CCN([C@@H]3CCCc4ccccc43)CC2)c1 ZINC000013811216 553492485 /nfs/dbraw/zinc/49/24/85/553492485.db2.gz CTHQDRHOBNALTE-VSGBNLITSA-N 0 1 515.604 6.701 50 0 KKAAMN Cc1ccc2nc(SCC(=O)N3N=C4C(=Cc5cccs5)CCC[C@@H]4[C@H]3c3cccs3)[nH]c2c1 ZINC000014360479 553513985 /nfs/dbraw/zinc/51/39/85/553513985.db2.gz OGJUTUCANNPELU-VQDZCXJYSA-N 0 1 504.706 6.910 50 0 KKAAMN COCCCN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CCN(Cc1nc3ccccc3s1)CC2 ZINC000014535078 553517794 /nfs/dbraw/zinc/51/77/94/553517794.db2.gz IYAIOQWIOCSFDQ-UHFFFAOYSA-N 0 1 528.678 5.285 50 0 KKAAMN O=C1N(CCCc2cccnc2)C(=O)C2(CCN(Cc3nc4ccccc4s3)CC2)N1Cc1ccccc1 ZINC000014744232 553519848 /nfs/dbraw/zinc/51/98/48/553519848.db2.gz FQGSUPDOWSDAHK-UHFFFAOYSA-N 0 1 525.678 5.123 50 0 KKAAMN CCN1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)cc(Br)c2OC)N3)C1 ZINC000015947402 553545321 /nfs/dbraw/zinc/54/53/21/553545321.db2.gz DPANJZYYVHDYNS-INIZCTEOSA-N 0 1 501.244 5.089 50 0 KKAAMN CCCCCc1ccc(C(=O)[C@@H]2[C@H](C(C)=O)N3c4ccccc4C(C)=C[C@H]3[C@]23c2ccccc2NC3=O)cc1 ZINC000015996474 553549438 /nfs/dbraw/zinc/54/94/38/553549438.db2.gz SHPCEDYVHKRZLQ-MDOIRUMSSA-N 0 1 518.657 6.372 50 0 KKAAMN O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000016972929 553585758 /nfs/dbraw/zinc/58/57/58/553585758.db2.gz YZNIFSRDTPSDTD-UHFFFAOYSA-N 0 1 506.049 6.760 50 0 KKAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@@H](c2cccc(Oc4ccccc4)c2)N(Cc2cccnc2)C3=O)cc1Cl ZINC000017014928 553586557 /nfs/dbraw/zinc/58/65/57/553586557.db2.gz SAFWFWNEQATUHR-GDLZYMKVSA-N 0 1 522.992 6.677 50 0 KKAAMN CCOc1cc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000018130926 553605752 /nfs/dbraw/zinc/60/57/52/553605752.db2.gz DMWNFBDNJMRPTL-OCBJUFRSSA-N 0 1 520.585 5.715 50 0 KKAAMN CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000018130926 553605754 /nfs/dbraw/zinc/60/57/54/553605754.db2.gz DMWNFBDNJMRPTL-OCBJUFRSSA-N 0 1 520.585 5.715 50 0 KKAAMN Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccc3c(c2)OCO3)[C@]12C(=O)Nc1ccccc12 ZINC000070686867 553605835 /nfs/dbraw/zinc/60/58/35/553605835.db2.gz XPLLHDKAEAOFPM-ZXFZPVEDSA-N 0 1 554.602 5.580 50 0 biogenic KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3cccc(OC)c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)c1 ZINC000070687722 553607258 /nfs/dbraw/zinc/60/72/58/553607258.db2.gz DRZDKYKOOMXBJK-RCFASBGUSA-N 0 1 570.645 5.950 50 0 biogenic KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccccc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)c1 ZINC000070687857 553607638 /nfs/dbraw/zinc/60/76/38/553607638.db2.gz OKPIVTUVQFMGOR-ZXFZPVEDSA-N 0 1 540.619 5.941 50 0 biogenic KKAAMN CCc1cccc2c1NC(=O)[C@]21N2CCC[C@H]2[C@@H](C(=O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000070706307 553627670 /nfs/dbraw/zinc/62/76/70/553627670.db2.gz PJAKLDZWFIABNU-BAAZAXTHSA-N 0 1 556.460 5.026 50 0 biogenic KKAAMN Cc1ccc(C)c(CN2c3cc(C(=O)NCCN4CCCC[C@@H]4C)ccc3[S@@](=O)c3ccccc3C2=O)c1 ZINC000020242703 553627814 /nfs/dbraw/zinc/62/78/14/553627814.db2.gz QRYDFPQVLUNFAK-NKAOBMQUSA-N 0 1 529.706 5.235 50 0 KKAAMN CCOc1ccc(N2C(=O)C3=C(C(c4ccc(Cl)cc4)=NCCN3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000019932821 553635397 /nfs/dbraw/zinc/63/53/97/553635397.db2.gz JPYHJSIOXZNVNY-NDEPHWFRSA-N 0 1 518.013 5.190 50 0 KKAAMN Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)c3ccccc3n2)s1 ZINC000020426760 553647952 /nfs/dbraw/zinc/64/79/52/553647952.db2.gz KYEHZKOVBZGSSW-UHFFFAOYSA-N 0 1 515.620 5.423 50 0 KKAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2ccc(OC(C)C)c(OC)c2)cc1 ZINC000085876399 553689017 /nfs/dbraw/zinc/68/90/17/553689017.db2.gz MAICOOPCACCBHY-LJQANCHMSA-N 0 1 502.519 5.411 50 0 biogenic KKAAMN CC(C)c1ccc(Nc2cc(C(=O)NCCN3CCN(Cc4ccccc4)CC3)c3ccccc3n2)cc1 ZINC000020732791 553692730 /nfs/dbraw/zinc/69/27/30/553692730.db2.gz RQMKRBRWJWULCA-UHFFFAOYSA-N 0 1 507.682 5.649 50 0 KKAAMN O=C(Oc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1)c1ccccc1 ZINC000095346123 553701117 /nfs/dbraw/zinc/70/11/17/553701117.db2.gz NVILDXNSTJZWOP-VJGNERBWSA-N 0 1 508.505 5.096 50 0 KKAAMN Cc1ccc(-c2onc3ccc(C(=O)NCCCN4CCN(c5cc(Cl)ccc5C)CC4)cc32)cc1 ZINC000021089508 553706070 /nfs/dbraw/zinc/70/60/70/553706070.db2.gz UURDXTIGLDPLSO-UHFFFAOYSA-N 0 1 503.046 5.707 50 0 KKAAMN Cc1[nH]c2ccccc2c1[C@@H](c1ccc(Cl)cc1)N1CCN([C@H](c2c(C)[nH]c3ccccc32)c2ccc(Cl)cc2)CC1 ZINC000096021770 553717660 /nfs/dbraw/zinc/71/76/60/553717660.db2.gz DVBCZISYLKUKGP-TYHGNQNSSA-N 0 1 593.602 9.069 50 0 KKAAMN Cc1[nH]c2ccccc2c1[C@H](c1ccc(Cl)cc1)N1CCN([C@H](c2c(C)[nH]c3ccccc32)c2ccc(Cl)cc2)CC1 ZINC000022030382 553722911 /nfs/dbraw/zinc/72/29/11/553722911.db2.gz DVBCZISYLKUKGP-ZPGRZCPFSA-N 0 1 593.602 9.069 50 0 KKAAMN Cc1[nH]c2ccccc2c1[C@@H](c1ccc(Cl)cc1)N1CCN([C@@H](c2c(C)[nH]c3ccccc32)c2ccc(Cl)cc2)CC1 ZINC000022030386 553722996 /nfs/dbraw/zinc/72/29/96/553722996.db2.gz DVBCZISYLKUKGP-LQFQNGICSA-N 0 1 593.602 9.069 50 0 KKAAMN FC(F)(F)c1cc(Cl)c2nn(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c(=S)n2c1 ZINC000022038021 553723258 /nfs/dbraw/zinc/72/32/58/553723258.db2.gz IUSUERSRRIAUGI-UHFFFAOYSA-N 0 1 518.008 5.902 50 0 KKAAMN Cc1cccc(NC(=O)[C@H](C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H]2CCCO2)Oc2cccc(C)c2)c1 ZINC000096281482 553737480 /nfs/dbraw/zinc/73/74/80/553737480.db2.gz QMTCUQUMPWAUCA-WNJJXGMVSA-N 0 1 502.611 5.099 50 0 KKAAMN Cc1cccc(NC(=O)[C@H](CN(Cc2ccc3c(c2)OCO3)C[C@@H]2CCCO2)Oc2cccc(C)c2)c1 ZINC000096281482 553737481 /nfs/dbraw/zinc/73/74/81/553737481.db2.gz QMTCUQUMPWAUCA-WNJJXGMVSA-N 0 1 502.611 5.099 50 0 KKAAMN O=C1C[C@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000022786165 553750190 /nfs/dbraw/zinc/75/01/90/553750190.db2.gz WTOGLEYHVLFHJV-PMERELPUSA-N 0 1 517.629 5.518 50 0 KKAAMN Cc1ccsc1-c1nnc(NC(=O)c2nc(-c3ccc(C)cc3)oc2Sc2ccc(C)cc2)s1 ZINC000096346497 553752900 /nfs/dbraw/zinc/75/29/00/553752900.db2.gz XPMTTXBWWLNRGI-UHFFFAOYSA-N 0 1 504.662 7.250 50 0 KKAAMN C[C@@](CNS(=O)(=O)c1ccccc1)(c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022938704 553768166 /nfs/dbraw/zinc/76/81/66/553768166.db2.gz OABVTVPMRHOMQB-JGCGQSQUSA-N 0 1 525.718 5.288 50 0 KKAAMN C[C@@H](NC(=O)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)cc1)c1ccc(Br)cc1 ZINC000025145946 553794998 /nfs/dbraw/zinc/79/49/98/553794998.db2.gz OUJXWVFNRPHDHC-OAHLLOKOSA-N 0 1 514.345 7.016 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(OCC)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000097954472 553823482 /nfs/dbraw/zinc/82/34/82/553823482.db2.gz FHDYXOUHSLSYQA-NLDZOOGBSA-N 0 1 530.621 5.714 50 0 KKAAMN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OCC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000097954472 553823484 /nfs/dbraw/zinc/82/34/84/553823484.db2.gz FHDYXOUHSLSYQA-NLDZOOGBSA-N 0 1 530.621 5.714 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccc(OC)c(OC)c5)nc4c32)cc1 ZINC000097954568 553824110 /nfs/dbraw/zinc/82/41/10/553824110.db2.gz VTCBWZDWKKVULO-AREMUKBSSA-N 0 1 546.587 5.597 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccc(OC)c(OC)c5)nc4c32)cc1 ZINC000097954569 553824163 /nfs/dbraw/zinc/82/41/63/553824163.db2.gz VTCBWZDWKKVULO-SANMLTNESA-N 0 1 546.587 5.597 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccc(C)cc5)nc4c32)cc1OC ZINC000097954808 553825592 /nfs/dbraw/zinc/82/55/92/553825592.db2.gz PHDWBEZRBZPMDX-AREMUKBSSA-N 0 1 530.588 5.897 50 0 KKAAMN COc1ccc(C[C@@]2(CNc3ccc(Br)cc3)C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OC ZINC000097955872 553834923 /nfs/dbraw/zinc/83/49/23/553834923.db2.gz JXSAJOOZBISNPV-AREMUKBSSA-N 0 1 538.398 5.231 50 0 KKAAMN COC(=O)C1(C(=O)OC)[C@H]2c3ccccc3C=CN2[C@H](C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccccc1 ZINC000097956265 553837304 /nfs/dbraw/zinc/83/73/04/553837304.db2.gz XZLDJIMNFYMIEX-RMTZWNOUSA-N 0 1 536.411 5.702 50 0 KKAAMN COc1ccc(-n2[nH]c(Cc3ccc(F)cc3)c(C=C3NC(=O)N(Cc4cccc(Cl)c4)C3=O)c2=O)cc1 ZINC000097956464 553839109 /nfs/dbraw/zinc/83/91/09/553839109.db2.gz CYBDNDPREXGWHV-MYYYXRDXSA-N 0 1 532.959 5.063 50 0 KKAAMN COc1cc([C@@H]2c3c(-c4ccc(Br)cc4)nn(-c4ccccc4)c3NC3=C2C(=O)OC3)cc(OC)c1OC ZINC000028712100 553843648 /nfs/dbraw/zinc/84/36/48/553843648.db2.gz KMWFCASZFOBIFV-QHCPKHFHSA-N 0 1 574.431 5.696 50 0 KKAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 ZINC000097957445 553846161 /nfs/dbraw/zinc/84/61/61/553846161.db2.gz VVVKQQZYXOMELI-UHFFFAOYSA-N 0 1 518.447 6.478 50 0 KKAAMN COc1cc(CN(Cc2cc(=O)n3c(-c4ccc(F)cc4)csc3n2)CC(C)C)cc(OC)c1OC ZINC000033068994 553905748 /nfs/dbraw/zinc/90/57/48/553905748.db2.gz BVCVAUKTXZUCPX-UHFFFAOYSA-N 0 1 511.619 5.246 50 0 KKAAMN Cc1oc(-c2ccc(C(=O)NCCCN3CCN(c4ccc(F)cc4)CC3)cc2)nc1COc1ccc(C)cc1 ZINC000033356738 553943915 /nfs/dbraw/zinc/94/39/15/553943915.db2.gz DLDFANBXVMNROJ-UHFFFAOYSA-N 0 1 542.655 5.619 50 0 KKAAMN CSc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCCN3CCN(Cc4ccccc4)CC3)C2=S)c1 ZINC000033357100 553946298 /nfs/dbraw/zinc/94/62/98/553946298.db2.gz AIQSOBWIXQIKFL-LJAQVGFWSA-N 0 1 622.260 5.601 50 0 KKAAMN O=C(C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1CCCN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(F)cc1 ZINC000033357135 553946731 /nfs/dbraw/zinc/94/67/31/553946731.db2.gz VYAIZNJTTDNSQW-MHZLTWQESA-N 0 1 614.574 5.676 50 0 KKAAMN CC(C)c1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)[nH]c2=O)cc1 ZINC000033357518 553948579 /nfs/dbraw/zinc/94/85/79/553948579.db2.gz BHUNLLSBGRDAFF-UHFFFAOYSA-N 0 1 535.647 5.249 50 0 KKAAMN COc1ccc(-c2nc(-c3ccccc3)c(-c3ccc4c(c3)C(=O)c3cc(-c5nc(-c6ccc(OC)cc6)[nH]c5-c5ccccc5)ccc3-4)[nH]2)cc1 ZINC000033358309 553954520 /nfs/dbraw/zinc/95/45/20/553954520.db2.gz PWUVDCBBTJUTLI-UHFFFAOYSA-N 0 1 676.776 10.363 50 0 KKAAMN COc1ccc(-c2nc(-c3ccc4c(c3)C(=O)c3cc(-c5nc(-c6ccc(OC)cc6)[nH]c5-c5ccccc5)ccc3-4)c(-c3ccccc3)[nH]2)cc1 ZINC000033358309 553954524 /nfs/dbraw/zinc/95/45/24/553954524.db2.gz PWUVDCBBTJUTLI-UHFFFAOYSA-N 0 1 676.776 10.363 50 0 KKAAMN CCOc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(F)c2)cc1 ZINC000033358414 553955502 /nfs/dbraw/zinc/95/55/02/553955502.db2.gz BUOWEROSIHYZMS-XZOQPEGZSA-N 0 1 582.242 6.899 50 0 KKAAMN O=C1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@H](c2cccs2)N1c1ccc(Br)cc1 ZINC000033358461 553956183 /nfs/dbraw/zinc/95/61/83/553956183.db2.gz ZKOYIFLQLLXZRK-ROUUACIJSA-N 0 1 591.097 6.877 50 0 KKAAMN CCCSc1ccccc1N1CCN(CCCCN2C(=O)CC(c3ccccc3)(c3ccccc3)C2=O)CC1 ZINC000097973089 553968132 /nfs/dbraw/zinc/96/81/32/553968132.db2.gz ORGJAQUHDSUKCB-UHFFFAOYSA-N 0 1 541.761 5.836 50 0 KKAAMN CCCSc1ccccc1N1CCN(CCC[C@@H](OC(=O)COc2ccc3c(c2C)CCCC3)c2ccccc2)CC1 ZINC000097973079 553968190 /nfs/dbraw/zinc/96/81/90/553968190.db2.gz JKERCWWPUJPDEY-UUWRZZSWSA-N 0 1 586.842 7.642 50 0 KKAAMN COc1ccc(N(C(=O)c2ccccc2OC)C2CCN(Cc3ccccc3C(F)(F)F)CC2)cc1OC ZINC000034683264 553985597 /nfs/dbraw/zinc/98/55/97/553985597.db2.gz JTISCXAQAHPXPM-UHFFFAOYSA-N 0 1 528.571 6.043 50 0 KKAAMN Cc1ccc(N(C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)S(=O)(=O)c2cccc(C)c2)cc1 ZINC000034683808 553986388 /nfs/dbraw/zinc/98/63/88/553986388.db2.gz VEUHNMIDROFAJI-UHFFFAOYSA-N 0 1 502.602 6.182 50 0 KKAAMN COc1ccccc1NC=C1c2ccccc2C(=O)N(c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)C1=O ZINC000097980471 553988954 /nfs/dbraw/zinc/98/89/54/553988954.db2.gz XBXMPSUNFXUQAD-LYBHJNIJSA-N 0 1 555.612 5.145 50 0 KKAAMN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CCN2CCCCC2)C(=O)CCc2ccccc2)s1 ZINC000034718808 553996149 /nfs/dbraw/zinc/99/61/49/553996149.db2.gz COIWENBAHAMZKT-UHFFFAOYSA-N 0 1 535.729 5.672 50 0 KKAAMN O=C(c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000097982728 554005172 /nfs/dbraw/zinc/00/51/72/554005172.db2.gz FGKSYDNLODALML-UHFFFAOYSA-N 0 1 579.644 6.054 50 0 KKAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)cc3C)ccc2C)cc1 ZINC000097982889 554005617 /nfs/dbraw/zinc/00/56/17/554005617.db2.gz UBVPDNFJXANRKA-UHFFFAOYSA-N 0 1 583.663 5.305 50 0 KKAAMN Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c1C ZINC000097982873 554005664 /nfs/dbraw/zinc/00/56/64/554005664.db2.gz AGNODSNYEZVTOD-UHFFFAOYSA-N 0 1 576.140 5.411 50 0 KKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000034814879 554011888 /nfs/dbraw/zinc/01/18/88/554011888.db2.gz PDXPXUCPHRFPBG-UHFFFAOYSA-N 0 1 513.608 5.394 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)NC2(C(F)(F)F)Oc3cc(Cl)c(Cl)cc3O2)c1 ZINC000097984193 554014673 /nfs/dbraw/zinc/01/46/73/554014673.db2.gz QJQIFHBHFVJZPW-UHFFFAOYSA-N 0 1 578.352 5.612 50 0 KKAAMN CC[C@H](C(=O)N1CCCN(C(=O)[C@H](C)N2CCc3sccc3[C@@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000034830416 554015608 /nfs/dbraw/zinc/01/56/08/554015608.db2.gz QLBLTERBNPVWOT-QECWJDIYSA-N 0 1 529.750 5.647 50 0 KKAAMN C[C@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(Cl)cc1 ZINC000034830513 554016121 /nfs/dbraw/zinc/01/61/21/554016121.db2.gz OLTYFLBAIKJLOR-PPHZAIPVSA-N 0 1 526.077 5.251 50 0 KKAAMN CCCCc1ccc(C(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@H]3c3cccc(F)c3)CC2)cc1 ZINC000034830491 554016209 /nfs/dbraw/zinc/01/62/09/554016209.db2.gz MTJLHYJHKWMQOD-SSEXGKCCSA-N 0 1 533.713 5.552 50 0 KKAAMN CCc1ccc(C(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000034830554 554016681 /nfs/dbraw/zinc/01/66/81/554016681.db2.gz YGVLIVLQCUTCGO-LGGPFLRQSA-N 0 1 519.686 5.160 50 0 KKAAMN CCN1CCN(c2c(CN(C(=O)c3ccc(Cl)cc3Cl)C(C)C)c(C)nn2-c2ccccc2)CC1 ZINC000034831227 554016869 /nfs/dbraw/zinc/01/68/69/554016869.db2.gz IGMHTESHRFQMOX-UHFFFAOYSA-N 0 1 514.501 5.680 50 0 KKAAMN Cc1nn(-c2ccccc2)c(N2CCN(C)CC2)c1CN(CC(C)C)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000034834381 554018859 /nfs/dbraw/zinc/01/88/59/554018859.db2.gz AFOXBTJYIDYNTE-UHFFFAOYSA-N 0 1 514.501 5.538 50 0 KKAAMN Cc1nn(-c2ccccc2)c(N2CCN(C)CC2)c1CN(CC(C)C)C(=O)c1ccc(Cl)cc1Cl ZINC000034834345 554018875 /nfs/dbraw/zinc/01/88/75/554018875.db2.gz WKECBKAGTQWLFJ-UHFFFAOYSA-N 0 1 514.501 5.538 50 0 KKAAMN CCCCCc1ccc(C(=O)N(Cc2c(C)nn(-c3ccccc3)c2N2CCN(C)CC2)CC(C)C)cc1 ZINC000034834389 554018926 /nfs/dbraw/zinc/01/89/26/554018926.db2.gz WFOWLYZPLBNHPI-UHFFFAOYSA-N 0 1 515.746 5.964 50 0 KKAAMN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)C(=O)c1ccc(Cl)cc1Cl ZINC000034834925 554019356 /nfs/dbraw/zinc/01/93/56/554019356.db2.gz QREPCBSMHPZQEX-HXUWFJFHSA-N 0 1 528.528 6.070 50 0 KKAAMN CCOc1ccc(NC(=O)N(Cc2c(C)nn(-c3cccc(F)c3)c2N2CCN(CC)CC2)C2CC2)cc1 ZINC000034835851 554020433 /nfs/dbraw/zinc/02/04/33/554020433.db2.gz LIEBAMTYKSLSDM-UHFFFAOYSA-N 0 1 520.653 5.057 50 0 KKAAMN CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(C(C)C)CC1)C(=O)Nc1ccc(OC)cc1 ZINC000034835784 554020485 /nfs/dbraw/zinc/02/04/85/554020485.db2.gz BABLLONSJNPPGP-UHFFFAOYSA-N 0 1 536.696 5.557 50 0 KKAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1cc(Cl)ccc1OC)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000035397175 554047854 /nfs/dbraw/zinc/04/78/54/554047854.db2.gz DNKJXLJHAPLSOI-UHFFFAOYSA-N 0 1 527.134 6.031 50 0 KKAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1cc(Cl)ccc1C)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000035397176 554047917 /nfs/dbraw/zinc/04/79/17/554047917.db2.gz IIJMSFIRKSFQOF-UHFFFAOYSA-N 0 1 511.135 6.331 50 0 KKAAMN CC(C)COC[C@H](O)CN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C(C)C ZINC000035842649 554081277 /nfs/dbraw/zinc/08/12/77/554081277.db2.gz JQNMNKUASMFAQB-GDLZYMKVSA-N 0 1 535.773 5.781 50 0 KKAAMN CC(C)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)Cc1ccc(Cl)cc1 ZINC000035842743 554081692 /nfs/dbraw/zinc/08/16/92/554081692.db2.gz FGVBYLSWYFAZHQ-UHFFFAOYSA-N 0 1 530.156 7.601 50 0 KKAAMN Cc1ccc(CN(CC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccc(Cl)c(Cl)c2)C(C)C)cc1 ZINC000035843675 554082464 /nfs/dbraw/zinc/08/24/64/554082464.db2.gz MJCRBVWZEIPRPH-UHFFFAOYSA-N 0 1 522.520 7.265 50 0 KKAAMN CCOc1ccc(N2C(=O)CS[C@@H]2c2ccc(NS(=O)(=O)c3cccc4cccnc43)cc2)cc1 ZINC000035912466 554096021 /nfs/dbraw/zinc/09/60/21/554096021.db2.gz FIFSKVQCAVAITL-AREMUKBSSA-N 0 1 505.621 5.213 50 0 KKAAMN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CCN2CCCCC2)C(=O)c2cccc(Br)c2)o1 ZINC000098019652 554113536 /nfs/dbraw/zinc/11/35/36/554113536.db2.gz GQWFCRDKSRPEHX-UHFFFAOYSA-N 0 1 566.540 5.550 50 0 KKAAMN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CCN2CCCCC2)C(=O)c2ccccc2C)cc1OC ZINC000098019719 554114044 /nfs/dbraw/zinc/11/40/44/554114044.db2.gz JFZUMEZIBNAHEQ-UHFFFAOYSA-N 0 1 561.723 5.113 50 0 KKAAMN CC(C)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1cccc(Cl)c1 ZINC000098020092 554116485 /nfs/dbraw/zinc/11/64/85/554116485.db2.gz CDDMFECERYAUCK-UHFFFAOYSA-N 0 1 542.938 7.610 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccc(N(C)C)cc5)nc4c32)cc1OC ZINC000098042675 554121425 /nfs/dbraw/zinc/12/14/25/554121425.db2.gz SLFPCFLBXKLMNA-MHZLTWQESA-N 0 1 559.630 5.655 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccc(N(C)C)cc5)nc4c32)cc1OC ZINC000098042674 554121443 /nfs/dbraw/zinc/12/14/43/554121443.db2.gz SLFPCFLBXKLMNA-HHHXNRCGSA-N 0 1 559.630 5.655 50 0 KKAAMN CCN1CCN(c2cc(C(C)(C)C)nc(SCc3ccc(C(=O)NCc4ccccc4)cc3)n2)CC1 ZINC000036065088 554163498 /nfs/dbraw/zinc/16/34/98/554163498.db2.gz HZBFHDQEMRMDNB-UHFFFAOYSA-N 0 1 503.716 5.138 50 0 KKAAMN CCOc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000098049876 554169821 /nfs/dbraw/zinc/16/98/21/554169821.db2.gz ZVPCQNNUTUSRIV-XZOQPEGZSA-N 0 1 564.252 6.760 50 0 KKAAMN COc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Br)c(C)c2)cc1Br ZINC000098049926 554170173 /nfs/dbraw/zinc/17/01/73/554170173.db2.gz DKKKKDJDCWTEJC-VXKWHMMOSA-N 0 1 708.017 7.895 50 0 KKAAMN COc1ccc(OC)c([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cccc(C(F)(F)F)c2)c1 ZINC000098049955 554170465 /nfs/dbraw/zinc/17/04/65/554170465.db2.gz ZVORIYMOBHTXBH-FGZHOGPDSA-N 0 1 634.221 7.089 50 0 KKAAMN CCOc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Cl)cc2C)cc1 ZINC000098049974 554170774 /nfs/dbraw/zinc/17/07/74/554170774.db2.gz HKNYLBLJSGVHBS-GOTSBHOMSA-N 0 1 598.697 7.413 50 0 KKAAMN COc1ccc(OC)c([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cc(Cl)ccc2C)c1 ZINC000098049985 554170798 /nfs/dbraw/zinc/17/07/98/554170798.db2.gz JMEDVICHYWTRPT-DHIUTWEWSA-N 0 1 614.696 7.032 50 0 KKAAMN COc1ccc(OC)c([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cc(Cl)ccc2C)c1 ZINC000098049983 554170800 /nfs/dbraw/zinc/17/08/00/554170800.db2.gz JMEDVICHYWTRPT-PKTZIBPZSA-N 0 1 614.696 7.032 50 0 KKAAMN CCOc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cccc(Cl)c2C)cc1 ZINC000098050004 554171014 /nfs/dbraw/zinc/17/10/14/554171014.db2.gz LOYDPPCMRHMCDR-GOTSBHOMSA-N 0 1 598.697 7.413 50 0 KKAAMN COc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1Br ZINC000098050019 554171020 /nfs/dbraw/zinc/17/10/20/554171020.db2.gz XUXCVWWDPWMIQI-YADHBBJMSA-N 0 1 663.566 7.786 50 0 KKAAMN CCOc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cccc(Cl)c2C)cc1 ZINC000098050006 554171062 /nfs/dbraw/zinc/17/10/62/554171062.db2.gz LOYDPPCMRHMCDR-XZOQPEGZSA-N 0 1 598.697 7.413 50 0 KKAAMN CCOc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cccc(Cl)c2C)cc1 ZINC000098050003 554171067 /nfs/dbraw/zinc/17/10/67/554171067.db2.gz LOYDPPCMRHMCDR-PKTZIBPZSA-N 0 1 598.697 7.413 50 0 KKAAMN COc1ccc(OC)c([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Br)c(C)c2)c1 ZINC000098050017 554171087 /nfs/dbraw/zinc/17/10/87/554171087.db2.gz XLZPCXJJRCZLCT-DHIUTWEWSA-N 0 1 659.147 7.141 50 0 KKAAMN COc1ccc(OC)c([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cc(Cl)cc(Cl)c2)c1 ZINC000098050047 554171313 /nfs/dbraw/zinc/17/13/13/554171313.db2.gz LTNDWXQTANTTGG-YADHBBJMSA-N 0 1 635.114 7.377 50 0 KKAAMN COc1ccc(OC)c([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cc(Cl)cc(Cl)c2)c1 ZINC000098050050 554171333 /nfs/dbraw/zinc/17/13/33/554171333.db2.gz LTNDWXQTANTTGG-FCHUYYIVSA-N 0 1 635.114 7.377 50 0 KKAAMN CCOc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 ZINC000098050035 554171354 /nfs/dbraw/zinc/17/13/54/554171354.db2.gz XFSVCIMAPIYNOF-PKTZIBPZSA-N 0 1 598.697 7.413 50 0 KKAAMN CCOc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 ZINC000098050036 554171371 /nfs/dbraw/zinc/17/13/71/554171371.db2.gz XFSVCIMAPIYNOF-GOTSBHOMSA-N 0 1 598.697 7.413 50 0 KKAAMN COc1ccc(OC)c([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cccc(Cl)c2C)c1 ZINC000098050066 554171625 /nfs/dbraw/zinc/17/16/25/554171625.db2.gz KDTTYIWLQKEKLR-XZOQPEGZSA-N 0 1 614.696 7.032 50 0 KKAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2cccc(Br)c2)cc1F ZINC000098050068 554171751 /nfs/dbraw/zinc/17/17/51/554171751.db2.gz INIBCOCHRHFHTL-SFTDATJTSA-N 0 1 617.085 7.263 50 0 KKAAMN COc1ccc(OC)c([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(F)cc2)c1 ZINC000098050097 554172046 /nfs/dbraw/zinc/17/20/46/554172046.db2.gz XAIXPIXCUWGUMM-FGZHOGPDSA-N 0 1 584.214 6.209 50 0 KKAAMN O=C1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@H](c2cccs2)N1c1cc(Cl)cc(Cl)c1 ZINC000098050161 554172584 /nfs/dbraw/zinc/17/25/84/554172584.db2.gz KLZQBVRCDCZZRA-ZWKOTPCHSA-N 0 1 581.091 7.421 50 0 KKAAMN O[C@H](COCc1ccco1)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146785 554198153 /nfs/dbraw/zinc/19/81/53/554198153.db2.gz UNHRXELDSPPWLW-RBBKRZOGSA-N 0 1 523.844 5.813 50 0 KKAAMN O[C@@H](COCc1ccccc1)CN(Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146132 554198252 /nfs/dbraw/zinc/19/82/52/554198252.db2.gz LVSXRMMZNVYCJR-FTJBHMTQSA-N 0 1 516.535 5.417 50 0 KKAAMN COc1ccccc1-c1csc2[nH]c(CN(C[C@H](O)Cc3ccccc3)C3CCCCC3)nc(=O)c12 ZINC000036206572 554202250 /nfs/dbraw/zinc/20/22/50/554202250.db2.gz KGCPJHAHMBIRDR-JOCHJYFZSA-N 0 1 503.668 5.399 50 0 KKAAMN COc1ccccc1-c1csc2[nH]c(CN(C[C@@H](O)Cc3ccccc3)C3CCCCC3)nc(=O)c12 ZINC000036206573 554202263 /nfs/dbraw/zinc/20/22/63/554202263.db2.gz KGCPJHAHMBIRDR-QFIPXVFZSA-N 0 1 503.668 5.399 50 0 KKAAMN CCOC[C@H](O)CN(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)CC1CC1 ZINC000036301712 554211285 /nfs/dbraw/zinc/21/12/85/554211285.db2.gz DMTHSWOYGWSFSY-HSZRJFAPSA-N 0 1 500.039 5.244 50 0 KKAAMN CCCN(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)C[C@H](O)COC(C)C ZINC000036301652 554211372 /nfs/dbraw/zinc/21/13/72/554211372.db2.gz RKZXZPJSEJKVGM-QHCPKHFHSA-N 0 1 502.055 5.633 50 0 KKAAMN CCCN(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)C[C@@H](O)COC(C)C ZINC000036301655 554211453 /nfs/dbraw/zinc/21/14/53/554211453.db2.gz RKZXZPJSEJKVGM-HSZRJFAPSA-N 0 1 502.055 5.633 50 0 KKAAMN COc1ccccc1Oc1c(CN(C[C@@H](O)COCc2ccco2)C(C)C)c(C)nn1-c1ccccc1 ZINC000036301994 554211959 /nfs/dbraw/zinc/21/19/59/554211959.db2.gz YEZMOHUNVMYRPD-XMMPIXPASA-N 0 1 505.615 5.363 50 0 KKAAMN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CN(C[C@@H](O)COc1ccccc1)C(C)C ZINC000036304092 554214393 /nfs/dbraw/zinc/21/43/93/554214393.db2.gz LERDNWHFGZNKJF-XMMPIXPASA-N 0 1 507.581 5.902 50 0 KKAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C[C@H](O)COCC(C)C ZINC000036305083 554214922 /nfs/dbraw/zinc/21/49/22/554214922.db2.gz RTMPJBQYJYOANL-QHCPKHFHSA-N 0 1 502.055 5.015 50 0 KKAAMN COc1cccc(Oc2c(CN(C[C@H](O)COC(C)(C)C)C[C@@H]3CCCO3)c(-c3ccccc3)nn2C)c1 ZINC000036305600 554215462 /nfs/dbraw/zinc/21/54/62/554215462.db2.gz HTKFHQOSJUXRMI-OZXSUGGESA-N 0 1 523.674 5.045 50 0 KKAAMN COc1ccc(C2=NN(C(=O)CN3CCC(Cc4ccccc4)CC3)[C@@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000036341859 554221153 /nfs/dbraw/zinc/22/11/53/554221153.db2.gz MCIFHZDYXXQRBS-MUUNZHRXSA-N 0 1 511.622 5.056 50 0 KKAAMN COc1ccc(C2=NN(C(=O)CN3CCC(Cc4ccccc4)CC3)[C@@H](c3ccc(OC)cc3OC)C2)cc1 ZINC000036343247 554221663 /nfs/dbraw/zinc/22/16/63/554221663.db2.gz DONNZCDDZIMYKM-SSEXGKCCSA-N 0 1 527.665 5.345 50 0 KKAAMN Cc1ccc(C)c(C2=NN(C(=O)CN3CCC(Cc4ccccc4)CC3)[C@@H](c3ccccc3Cl)C2)c1 ZINC000036343893 554222377 /nfs/dbraw/zinc/22/23/77/554222377.db2.gz UBBAEMGLZZFNSS-SSEXGKCCSA-N 0 1 500.086 6.589 50 0 KKAAMN COc1ccc([C@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN2CCC(Cc3ccccc3)CC2)c(OC)c1 ZINC000036344217 554222595 /nfs/dbraw/zinc/22/25/95/554222595.db2.gz PWNFRVNXZROYQZ-WJOKGBTCSA-N 0 1 525.693 5.953 50 0 KKAAMN COc1ccc(-c2nc3c(s2)C[N@H+]([C@@H](C(=O)[O-])c2c[nH]c4cc(NC(=O)C(C)C)ccc42)CC3)cc1 ZINC000036358850 554224054 /nfs/dbraw/zinc/22/40/54/554224054.db2.gz WPWMAIMICNJEOG-XMMPIXPASA-N 0 1 504.612 5.079 50 0 KKAAMN COc1ccccc1-c1nc(N2CCN(Cc3ccccc3)CC2)nc2nn(-c3ccc(Cl)cc3)c(N)c21 ZINC000037357866 554234659 /nfs/dbraw/zinc/23/46/59/554234659.db2.gz GSWLMPHXKCPBBO-UHFFFAOYSA-N 0 1 526.044 5.049 50 0 KKAAMN CC1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3ncnc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000100161503 554235161 /nfs/dbraw/zinc/23/51/61/554235161.db2.gz GFTPFLYROOXWQQ-UHFFFAOYSA-N 0 1 606.796 5.839 50 0 KKAAMN Cc1ccc([C@@H]2c3c(O)n(-c4ccc(C)c(Cl)c4)c(O)c3ON2c2cccc(Br)c2)cc1 ZINC000100208460 554248621 /nfs/dbraw/zinc/24/86/21/554248621.db2.gz YSNVCRQLJRUZRP-ZLNRFVROSA-N 0 1 511.803 5.770 50 0 KKAAMN COc1ccccc1OCCN(C[C@@H](O)COc1cccc2[nH]c3ccccc3c21)C[C@@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC000049722696 554324632 /nfs/dbraw/zinc/32/46/32/554324632.db2.gz JRLQBMKMDMZBGW-KAYWLYCHSA-N 0 1 645.756 6.525 50 0 in-vitro KKAAMN Brc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCN(Cc3ccccc3)CC2)cc1 ZINC000054387954 554349981 /nfs/dbraw/zinc/34/99/81/554349981.db2.gz PCLSKYSVZZOUGQ-UHFFFAOYSA-N 0 1 524.466 6.172 50 0 KKAAMN CCCCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057222887 554353053 /nfs/dbraw/zinc/35/30/53/554353053.db2.gz SQWWSQLZQHHWKY-UHFFFAOYSA-N 0 1 501.627 5.227 50 0 KKAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc(OCC)c(Cl)c2)c1 ZINC000057222962 554353095 /nfs/dbraw/zinc/35/30/95/554353095.db2.gz VMBQHXIVDOZFDK-UHFFFAOYSA-N 0 1 522.045 5.490 50 0 KKAAMN COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cccc3c(Br)cccc23)c1 ZINC000100405065 554373228 /nfs/dbraw/zinc/37/32/28/554373228.db2.gz MYMADWZMUJOKTF-UHFFFAOYSA-N 0 1 558.476 5.963 50 0 KKAAMN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@H]3c2cccc(Br)c2)cc1 ZINC000100425403 554386644 /nfs/dbraw/zinc/38/66/44/554386644.db2.gz HPWLRYGUPGCLTB-UKJJDJLKSA-N 0 1 563.495 8.621 50 0 KKAAMN COc1cccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000100425580 554387073 /nfs/dbraw/zinc/38/70/73/554387073.db2.gz TWTUUYKZXRJSAF-HHHXNRCGSA-N 0 1 536.459 8.500 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000100426211 554387705 /nfs/dbraw/zinc/38/77/05/554387705.db2.gz SFFSCYPFHDITEB-UDNBHOFDSA-N 0 1 529.080 8.479 50 0 KKAAMN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000100426360 554388145 /nfs/dbraw/zinc/38/81/45/554388145.db2.gz LOKCZLDSOMTHHW-WEZXKFLESA-N 0 1 614.695 6.698 50 0 KKAAMN COc1ccc([C@H]2C3=C(C[C@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000100426668 554388740 /nfs/dbraw/zinc/38/87/40/554388740.db2.gz PLNAJBFJSDKEEW-BNHRFMORSA-N 0 1 535.043 8.213 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(F)cc1 ZINC000100427001 554389342 /nfs/dbraw/zinc/38/93/42/554389342.db2.gz XWCCDTUDGOVXJH-WYOOIXGGSA-N 0 1 542.651 7.973 50 0 KKAAMN CCCCCC(=O)N1c2cc(C)ccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(OC)cc1 ZINC000100427180 554389373 /nfs/dbraw/zinc/38/93/73/554389373.db2.gz ZMJOYYUCIHQDEP-HPMVVLTCSA-N 0 1 508.662 8.134 50 0 KKAAMN CCCCCC(=O)N1c2cc(C)ccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(OC)cc1 ZINC000100427183 554389862 /nfs/dbraw/zinc/38/98/62/554389862.db2.gz ZMJOYYUCIHQDEP-OGVWKLGRSA-N 0 1 508.662 8.134 50 0 KKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000100429450 554390448 /nfs/dbraw/zinc/39/04/48/554390448.db2.gz OOKQQDOLWWXRRO-UKPGIYTDSA-N 0 1 512.606 6.673 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000100429463 554390530 /nfs/dbraw/zinc/39/05/30/554390530.db2.gz DUJRNMOANRJRBT-YUYWZBKDSA-N 0 1 554.687 7.843 50 0 KKAAMN Cc1cc(Cl)ccc1N1C(=O)C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@@H]1c1ccc2c(c1)OCO2 ZINC000100581969 554425386 /nfs/dbraw/zinc/42/53/86/554425386.db2.gz JFQYPYCRMBSDBV-FCHUYYIVSA-N 0 1 598.653 6.743 50 0 KKAAMN Cc1c(Cl)cccc1N1C(=O)C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@H]1c1ccc(F)cc1 ZINC000100584475 554426077 /nfs/dbraw/zinc/42/60/77/554426077.db2.gz IDPFROTYIUTFLJ-NHCUHLMSSA-N 0 1 572.634 7.154 50 0 KKAAMN Cc1cc(Cl)ccc1N1C(=O)C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@H]1c1cccc(F)c1 ZINC000100585830 554426386 /nfs/dbraw/zinc/42/63/86/554426386.db2.gz PJBVBEQPKMVHRU-RTWAWAEBSA-N 0 1 572.634 7.154 50 0 KKAAMN COc1ccc(C(=O)[C@H]2C(=C(O)c3ccccc3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000100818039 554478460 /nfs/dbraw/zinc/47/84/60/554478460.db2.gz DUKPJCXXGSYSGR-CLWMVSBGSA-N 0 1 526.592 5.551 50 0 KKAAMN CCCCCc1ccc(C(=O)[C@@H]2[C@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000100846728 554491512 /nfs/dbraw/zinc/49/15/12/554491512.db2.gz OWOQNXIYDYCWDZ-RFGOCLGJSA-N 0 1 539.075 6.635 50 0 KKAAMN COc1ccc(Nc2cc(C)nc(Nc3ccc(NS(=O)(=O)c4cc(Cl)c(C)cc4OC)cc3)n2)cc1 ZINC000100957647 554540667 /nfs/dbraw/zinc/54/06/67/554540667.db2.gz QGJGBBXCHRTOIK-UHFFFAOYSA-N 0 1 540.045 6.052 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1OC ZINC000100962298 554542800 /nfs/dbraw/zinc/54/28/00/554542800.db2.gz AXJFRACHOKARFO-XAEBNIDXSA-N 0 1 536.628 5.292 50 0 KKAAMN O=C(c1ccco1)[C@@H]1C(=C(O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000101036520 554565490 /nfs/dbraw/zinc/56/54/90/554565490.db2.gz DGZNYJDFEHVQNV-ANOKCIKSSA-N 0 1 520.972 5.789 50 0 KKAAMN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(CC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000101097928 554584916 /nfs/dbraw/zinc/58/49/16/554584916.db2.gz YCFGIEJBOWXYAF-NLDZOOGBSA-N 0 1 514.622 5.878 50 0 KKAAMN Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000101129500 554648309 /nfs/dbraw/zinc/64/83/09/554648309.db2.gz QHGLGGOMCZALFN-WFPUBZAHSA-N 0 1 510.593 5.851 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccc(F)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000101139288 554652463 /nfs/dbraw/zinc/65/24/63/554652463.db2.gz HZGSWTBAPPLUJK-ZXFZPVEDSA-N 0 1 542.610 6.380 50 0 KKAAMN CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c1ccc3c(c1)OCO3)[C@@]21c2ccccc2NC1=O ZINC000101163817 554660778 /nfs/dbraw/zinc/66/07/78/554660778.db2.gz USPDOZISWIZQIT-XAEBNIDXSA-N 0 1 534.612 5.394 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@H]1N2[C@H](C(=O)c2cccs2)C(=C(O)c2ccc(F)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000101188334 554669803 /nfs/dbraw/zinc/66/98/03/554669803.db2.gz LQAIAPFEDGJJKY-UUQNIDNHSA-N 0 1 548.639 6.442 50 0 KKAAMN COc1ccccc1Nc1c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2nc2c1CCCC2 ZINC000101193352 554671382 /nfs/dbraw/zinc/67/13/82/554671382.db2.gz YTMDHWCKRXALGV-UHFFFAOYSA-N 0 1 522.432 7.190 50 0 KKAAMN COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCCN3CCN(Cc4ccccc4)CC3)C2=S)cc1Cl ZINC000101216236 554683190 /nfs/dbraw/zinc/68/31/90/554683190.db2.gz UYCKBFFCORJRQZ-MUUNZHRXSA-N 0 1 624.182 5.027 50 0 KKAAMN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCCN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000101216429 554683713 /nfs/dbraw/zinc/68/37/13/554683713.db2.gz DHHPFMFKSPMJQS-LJAQVGFWSA-N 0 1 624.182 5.421 50 0 KKAAMN CCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(C(C)=O)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000101217231 554684519 /nfs/dbraw/zinc/68/45/19/554684519.db2.gz RAYJLBGXBQZTPU-IARZGTGTSA-N 0 1 514.578 5.128 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000101254810 554695558 /nfs/dbraw/zinc/69/55/58/554695558.db2.gz KYXQGERIYQJGQQ-YTTGMZPUSA-N 0 1 613.828 5.323 50 0 KKAAMN COc1ccc(-c2[nH]c(-c3ccc(Br)cc3)nc2SCC(=O)Nc2ccc3c(c2)OCCO3)cc1OC ZINC000101305771 554715110 /nfs/dbraw/zinc/71/51/10/554715110.db2.gz NKGCESGDYWELEZ-UHFFFAOYSA-N 0 1 582.476 6.025 50 0 KKAAMN Cc1oc2ncn(Cc3ccccc3)c(=O)c2c1C(=O)Nc1c2ccccc2oc1C(=O)c1ccc(Cl)cc1 ZINC000101361838 554743265 /nfs/dbraw/zinc/74/32/65/554743265.db2.gz YOLCDUOJUOGCBU-UHFFFAOYSA-N 0 1 537.959 6.229 50 0 KKAAMN COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)c2cccs2)cc1 ZINC000101386139 554751262 /nfs/dbraw/zinc/75/12/62/554751262.db2.gz ZYIVIWWGKCTDKF-WBBHLRKXSA-N 0 1 548.664 7.707 50 0 KKAAMN COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)c2cccs2)cc1 ZINC000101386131 554751277 /nfs/dbraw/zinc/75/12/77/554751277.db2.gz ZYIVIWWGKCTDKF-DLLPINGYSA-N 0 1 548.664 7.707 50 0 KKAAMN COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000101395020 554757294 /nfs/dbraw/zinc/75/72/94/554757294.db2.gz DIXWPRQJTABBLB-YUDQIZAISA-N 0 1 534.637 7.399 50 0 KKAAMN COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000101395023 554757344 /nfs/dbraw/zinc/75/73/44/554757344.db2.gz DIXWPRQJTABBLB-JHOBJCJYSA-N 0 1 534.637 7.399 50 0 KKAAMN COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4cccs4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000101395015 554757365 /nfs/dbraw/zinc/75/73/65/554757365.db2.gz DIXWPRQJTABBLB-WVXBCFDCSA-N 0 1 534.637 7.399 50 0 KKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@@H]3c2ccc(F)cc2)cc1 ZINC000101408815 554763235 /nfs/dbraw/zinc/76/32/35/554763235.db2.gz VILIAEGDIILJJZ-WXTAPIANSA-N 0 1 510.487 6.947 50 0 KKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@H]3c2ccc(F)cc2)cc1 ZINC000101408811 554763245 /nfs/dbraw/zinc/76/32/45/554763245.db2.gz VILIAEGDIILJJZ-QYBDOPJKSA-N 0 1 510.487 6.947 50 0 KKAAMN CCOc1cc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000101412285 554764240 /nfs/dbraw/zinc/76/42/40/554764240.db2.gz ZNQJKMLYAZTMHE-KWXDVARASA-N 0 1 621.177 9.524 50 0 KKAAMN O=C(CSc1c2cc(Cl)ccc2nc2c1CCCC2)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000101415573 554764655 /nfs/dbraw/zinc/76/46/55/554764655.db2.gz NDRSCOAZFGNJLI-UHFFFAOYSA-N 0 1 543.564 5.841 50 0 KKAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)C[C@H]3C(=O)N(Cc4ccccc4)[C@@H](C)c4nc5ccccc5n43)CC2)c1 ZINC000101425304 554768238 /nfs/dbraw/zinc/76/82/38/554768238.db2.gz UDQXSPFYAMNBHL-UCGGBYDDSA-N 0 1 578.761 5.016 50 0 KKAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)C[C@H]3C(=O)N(Cc4ccccc4)[C@H](C)c4nc5ccccc5n43)CC2)c1 ZINC000101425300 554768283 /nfs/dbraw/zinc/76/82/83/554768283.db2.gz UDQXSPFYAMNBHL-ZUKKLESISA-N 0 1 578.761 5.016 50 0 KKAAMN COc1cccc([C@@H]2C3=C(C[C@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)c1 ZINC000101428819 554769341 /nfs/dbraw/zinc/76/93/41/554769341.db2.gz LOLNEGXUCXBLAN-NRUKRWIHSA-N 0 1 535.043 8.213 50 0 KKAAMN COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2Cl)cc1 ZINC000101464514 554780079 /nfs/dbraw/zinc/78/00/79/554780079.db2.gz MUALQOHBUAMJPW-RBBQXQBVSA-N 0 1 593.079 7.999 50 0 KKAAMN COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)CC(C)C)cc1 ZINC000101466060 554780806 /nfs/dbraw/zinc/78/08/06/554780806.db2.gz KZHFZCDRQHIYCF-NRUKRWIHSA-N 0 1 538.644 7.078 50 0 KKAAMN COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)CC(C)C)cc1 ZINC000101466062 554780842 /nfs/dbraw/zinc/78/08/42/554780842.db2.gz KZHFZCDRQHIYCF-GPNASLBKSA-N 0 1 538.644 7.078 50 0 KKAAMN CCOc1cc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1 ZINC000101481746 554784335 /nfs/dbraw/zinc/78/43/35/554784335.db2.gz IACWEKZYYKMQGF-CXNHSUMOSA-N 0 1 593.123 8.888 50 0 KKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccc(Cl)cc2)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101502498 554788986 /nfs/dbraw/zinc/78/89/86/554788986.db2.gz RPOLTNQYYAIFAE-GRMGDBHTSA-N 0 1 625.121 8.238 50 0 KKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccc(Cl)cc2)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101502496 554789049 /nfs/dbraw/zinc/78/90/49/554789049.db2.gz RPOLTNQYYAIFAE-OHWKKVTOSA-N 0 1 625.121 8.238 50 0 KKAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)[C@@H]3c4ccccc4C(=O)N(CC(C)C)[C@@H]3c3cccs3)CC2)c1 ZINC000101617912 554806383 /nfs/dbraw/zinc/80/63/83/554806383.db2.gz SYXQMQSCOLPHNI-FIRIVFDPSA-N 0 1 558.792 5.630 50 0 KKAAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](c1ccc(Cl)cc1)[C@H](NS(=O)(=O)c1ccccc1C)C(=O)c1ccccc1 ZINC000101625370 554810964 /nfs/dbraw/zinc/81/09/64/554810964.db2.gz TXEXWYWPFBPOCF-KYJUHHDHSA-N 0 1 586.113 6.210 50 0 KKAAMN O=C(CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21)NCCCN1CCN(c2ccc(F)cc2)CC1 ZINC000101629467 554811498 /nfs/dbraw/zinc/81/14/98/554811498.db2.gz UUHULJDIZGITBK-RRAHZORUSA-N 0 1 598.666 5.653 50 0 KKAAMN Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2ccc(CS(=O)(=O)c3c(Cl)cccc3Cl)o2)CC1 ZINC000101640085 554814300 /nfs/dbraw/zinc/81/43/00/554814300.db2.gz HNEKKDQDNZQIBH-UHFFFAOYSA-N 0 1 584.953 5.464 50 0 KKAAMN CCCCCc1ccc(C(O)=C2[C@@H](C(=O)c3ccccc3)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000101671967 554825613 /nfs/dbraw/zinc/82/56/13/554825613.db2.gz HHVWTSVUVGQOOS-SMTMOVGSSA-N 0 1 594.755 7.974 50 0 KKAAMN COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000101736757 554833865 /nfs/dbraw/zinc/83/38/65/554833865.db2.gz QCBKONNTXDMMSS-GOXGLGGOSA-N 0 1 546.598 7.476 50 0 KKAAMN COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000101736766 554833929 /nfs/dbraw/zinc/83/39/29/554833929.db2.gz QCBKONNTXDMMSS-UKJJDJLKSA-N 0 1 546.598 7.476 50 0 KKAAMN COc1cc(CNC(=O)COc2ccc(-c3ccsc3)cc2CN2CCN(c3ccccc3)CC2)cc(OC)c1OC ZINC000101790003 554838748 /nfs/dbraw/zinc/83/87/48/554838748.db2.gz JXGBGSKADRMHBU-UHFFFAOYSA-N 0 1 587.742 5.458 50 0 KKAAMN CCN1CCN(c2c(CN(CCC(C)C)S(=O)(=O)c3ccc4ccccc4c3)c(C)nn2-c2ccccc2)CC1 ZINC000101866636 554845117 /nfs/dbraw/zinc/84/51/17/554845117.db2.gz RXULDOAKFUBZBB-UHFFFAOYSA-N 0 1 559.780 5.713 50 0 KKAAMN CCOC(=O)N1CCc2c(sc(NC(=O)CNCc3ccccc3)c2C(=O)Nc2ccc(Br)cc2)C1 ZINC000101891871 554846468 /nfs/dbraw/zinc/84/64/68/554846468.db2.gz OOULQGWHXPAVTE-UHFFFAOYSA-N 0 1 571.497 5.006 50 0 KKAAMN Cc1nn(-c2ccccc2)c(N2CCN(C)CC2)c1CN(CCC(C)C)C(=O)c1ccccc1Br ZINC000102048204 554870467 /nfs/dbraw/zinc/87/04/67/554870467.db2.gz JORYGMXASZAEFQ-UHFFFAOYSA-N 0 1 538.534 5.384 50 0 KKAAMN COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)cc(Br)c1OC(=O)c1ccc(C)cc1 ZINC000102096410 554879393 /nfs/dbraw/zinc/87/93/93/554879393.db2.gz CWEQXWDDVVQEDH-DEOSSOPVSA-N 0 1 570.509 6.242 50 0 KKAAMN CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)ccc1OC(=O)c1ccc(Br)cc1 ZINC000102098274 554880395 /nfs/dbraw/zinc/88/03/95/554880395.db2.gz AJUYWEKSDZUJOC-DEOSSOPVSA-N 0 1 570.509 6.324 50 0 KKAAMN COc1ccccc1N1CCN(CCCNC(=O)c2cnn(-c3ccc(F)cc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000102129641 554884409 /nfs/dbraw/zinc/88/44/09/554884409.db2.gz DMOHKXXGEWOYDF-UHFFFAOYSA-N 0 1 620.770 5.077 50 0 KKAAMN O=C1CCCN1c1ccc(CN(Cc2ccc(Br)cc2)Cc2ccc(Br)cc2)cc1 ZINC000102186818 554893797 /nfs/dbraw/zinc/89/37/97/554893797.db2.gz GNEZKYPBOLIPRI-UHFFFAOYSA-N 0 1 528.288 6.541 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)[C@H](C(=O)c2ccc(CC(C)C)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000102191265 554894246 /nfs/dbraw/zinc/89/42/46/554894246.db2.gz BLSQYLSYJNHYJG-DEGFIOCKSA-N 0 1 586.757 7.501 50 0 KKAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000102254120 554904209 /nfs/dbraw/zinc/90/42/09/554904209.db2.gz VGZUEQGSTMMCAP-NGQVCNFZSA-N 0 1 543.777 6.065 50 0 KKAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000102254125 554904220 /nfs/dbraw/zinc/90/42/20/554904220.db2.gz DGBGBNJZXBYKTR-KDYSTLNUSA-N 0 1 555.666 5.786 50 0 KKAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000102254108 554904258 /nfs/dbraw/zinc/90/42/58/554904258.db2.gz RGYKOMQVFFEZHE-DCFHFQCYSA-N 0 1 556.559 6.074 50 0 KKAAMN CCCOc1ccccc1[C@H]1C2=C(C[C@H](c3ccc(OC)cc3)CC2=O)Nc2ccccc2N1C(=O)C(F)(F)F ZINC000102337250 554912963 /nfs/dbraw/zinc/91/29/63/554912963.db2.gz CXBDIHYALJHLJN-WRONEBCDSA-N 0 1 550.577 7.596 50 0 KKAAMN O=C(OC(c1ccccc1)c1ccccc1)[C@H]1[C@@H](C(=O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000102435404 554927803 /nfs/dbraw/zinc/92/78/03/554927803.db2.gz CDZOTDFZTYOTMC-UKVDXBKXSA-N 0 1 620.680 7.132 50 0 KKAAMN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CSc2nc(-c3cc(Cl)ccc3OC)n[nH]2)cc1 ZINC000102539104 554956769 /nfs/dbraw/zinc/95/67/69/554956769.db2.gz CAOCPJJQFABZGA-QHCPKHFHSA-N 0 1 534.041 5.612 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000102546410 554959435 /nfs/dbraw/zinc/95/94/35/554959435.db2.gz QBPQPBWTXZKNEU-IARZGTGTSA-N 0 1 617.427 5.867 50 0 KKAAMN CN1CC2=C(N=C3SC=C(c4ccc5c(c4)OCCO5)N3[C@@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 ZINC000102633268 554989773 /nfs/dbraw/zinc/98/97/73/554989773.db2.gz OBRQVTMDICJKFZ-XOFDCVHHSA-N 0 1 574.533 7.506 50 0 KKAAMN COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4ccc(F)cc4)C3)[C@H]2c2cccs2)cc(OC)c1OC ZINC000102649703 554995032 /nfs/dbraw/zinc/99/50/32/554995032.db2.gz QRGILHPFCPBJSS-PKHCJMHPSA-N 0 1 584.669 7.777 50 0 KKAAMN COCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COc1ccccc1C ZINC000102661968 555000678 /nfs/dbraw/zinc/00/06/78/555000678.db2.gz UBYXKEZTSVAMML-YTTGMZPUSA-N 0 1 599.816 6.124 50 0 KKAAMN CCCOc1ccc(-n2c(O)c3c(c2O)[C@H](c2cc4ccccc4nc2Cl)N(c2ccccc2)O3)cc1 ZINC000102732521 555024085 /nfs/dbraw/zinc/02/40/85/555024085.db2.gz HZSICYNQWBCOCM-UODIDJSMSA-N 0 1 513.981 5.728 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1OC ZINC000102746499 555038936 /nfs/dbraw/zinc/03/89/36/555038936.db2.gz LRMJHMLBWTVHRI-TWJOJJKGSA-N 0 1 541.431 6.232 50 0 KKAAMN COc1ccc([C@@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccccc2)cc1Br ZINC000102761281 555052442 /nfs/dbraw/zinc/05/24/42/555052442.db2.gz TWXMRUSISZIMHZ-YPAWHYETSA-N 0 1 513.775 5.162 50 0 KKAAMN CCOc1cc([C@@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccccc2)cc(Br)c1O ZINC000102762284 555053156 /nfs/dbraw/zinc/05/31/56/555053156.db2.gz DLKDEKRTILPQDY-MQSCRBSSSA-N 0 1 543.801 5.258 50 0 KKAAMN Cc1cccc2c1NC(=O)[C@@]21C(C(=O)c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2CCCN21 ZINC000102765324 555054598 /nfs/dbraw/zinc/05/45/98/555054598.db2.gz JRJCDJXJYQTVKJ-WYDAKKJLSA-N 0 1 532.427 5.316 50 0 KKAAMN Cc1cccc(CN2c3cc(C(=O)NCCN4CCN(Cc5ccccc5)CC4)ccc3S/C(=C\c3ccccc3)C2=O)c1 ZINC000102787856 555068330 /nfs/dbraw/zinc/06/83/30/555068330.db2.gz RNEXBILIQYCXEN-BGDIREAQSA-N 0 1 602.804 6.223 50 0 KKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000102788897 555068555 /nfs/dbraw/zinc/06/85/55/555068555.db2.gz UUWOPTGXMFQEMQ-UGDMGKLASA-N 0 1 546.633 8.963 50 0 KKAAMN CCOC(=O)c1ccc(OC2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(CSc3nc4ccc(OC)cc4[nH]3)cc2)cc1 ZINC000102818340 555076434 /nfs/dbraw/zinc/07/64/34/555076434.db2.gz ICJIDZAXJQFQJG-VKSRLUHHSA-N 0 1 571.699 6.255 50 0 KKAAMN CC[C@@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)c1ccccc1Br ZINC000102850913 555085794 /nfs/dbraw/zinc/08/57/94/555085794.db2.gz DTRRFKPVIYHFBG-HXUWFJFHSA-N 0 1 556.524 5.665 50 0 KKAAMN Cc1ccc2c(c1)N(C(=O)c1cccs1)[C@H](c1ccc(F)cc1)C1C(=O)C[C@H](c3ccccc3)CC1=N2 ZINC000102859498 555089644 /nfs/dbraw/zinc/08/96/44/555089644.db2.gz JBKXINNTTNTKBV-YKGWIAGDSA-N 0 1 508.618 8.060 50 0 KKAAMN CC(C)(C)c1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4cccs4)[C@@H]3c3ccccc3Cl)C2)cc1 ZINC000102865017 555094952 /nfs/dbraw/zinc/09/49/52/555094952.db2.gz PMJSMAQHUKISJW-APYJYERMSA-N 0 1 567.154 9.563 50 0 KKAAMN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1Cl ZINC000102872698 555103141 /nfs/dbraw/zinc/10/31/41/555103141.db2.gz DXODVFBYVWZZRH-KEEVHDRGSA-N 0 1 533.499 8.861 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccnc1 ZINC000102880824 555109458 /nfs/dbraw/zinc/10/94/58/555109458.db2.gz AKEKJNGDSKBVIH-JIYROHSKSA-N 0 1 525.649 7.229 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 ZINC000102885283 555115434 /nfs/dbraw/zinc/11/54/34/555115434.db2.gz GYJZEXAULJKPHL-FCEKVYKBSA-N 0 1 554.986 5.619 50 0 KKAAMN CCOc1cc([C@@H]2c3c(O)n(-c4cccc(Cl)c4C)c(O)c3ON2c2ccccc2)cc(Br)c1O ZINC000102891758 555127712 /nfs/dbraw/zinc/12/77/12/555127712.db2.gz WSAKJUCXDCNCCF-AKFKNWHVSA-N 0 1 557.828 5.566 50 0 KKAAMN CCNC(=S)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000102894438 555132469 /nfs/dbraw/zinc/13/24/69/555132469.db2.gz ZJKMVRZNYRVKBY-WJOKGBTCSA-N 0 1 590.189 8.478 50 0 KKAAMN O=C(c1cc(Sc2cccc(C(F)(F)F)c2)c2nc3sc4c(c3c(=O)n2c1)CCCC4)c1ccccc1O 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ZINC000150419638 571487198 /nfs/dbraw/zinc/48/71/98/571487198.db2.gz FPLVFHJDZSWAGN-QCBOHVIISA-N 0 1 647.093 9.430 50 0 KKAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(Cl)c(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)c3)ccc2Cl)cc1 ZINC000150421948 571487854 /nfs/dbraw/zinc/48/78/54/571487854.db2.gz KUFPJLSUFVKBSY-UHFFFAOYSA-N 0 1 716.625 5.654 50 0 KKAAMN COc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cc(Cl)cc(Cl)c2)cc1OC ZINC000150430964 571493324 /nfs/dbraw/zinc/49/33/24/571493324.db2.gz WQMHETOZWHNHBF-FCHUYYIVSA-N 0 1 635.114 7.377 50 0 KKAAMN COc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cc(Cl)cc(Cl)c2)cc1OC ZINC000150430950 571493338 /nfs/dbraw/zinc/49/33/38/571493338.db2.gz WQMHETOZWHNHBF-VXKWHMMOSA-N 0 1 635.114 7.377 50 0 KKAAMN COc1ccc2nc(SCC(=O)N3c4ccccc4N=C4C[C@@H](c5ccc(F)cc5)CC(=O)C4[C@@H]3c3cccc(OC)c3)[nH]c2c1 ZINC000150437183 571496598 /nfs/dbraw/zinc/49/65/98/571496598.db2.gz ZAVCICCRLWJHHX-LUWBXXKHSA-N 0 1 634.733 8.062 50 0 KKAAMN COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3Cl)c2)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000150453711 571503733 /nfs/dbraw/zinc/50/37/33/571503733.db2.gz VJYOXDLDNQIDEB-UHFFFAOYSA-N 0 1 675.399 7.163 50 0 KKAAMN COc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000150455830 571504473 /nfs/dbraw/zinc/50/44/73/571504473.db2.gz KSQHMVYRWAFEBR-DHIUTWEWSA-N 0 1 626.276 6.087 50 0 KKAAMN O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1[C@H](C(=O)c2ccc(Cl)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000150465799 571507930 /nfs/dbraw/zinc/50/79/30/571507930.db2.gz LCKSGIXFRYZEAE-GEHWIAFRSA-N 0 1 637.135 7.646 50 0 KKAAMN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1Nc1nc2ccccc2nc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000150471552 571509563 /nfs/dbraw/zinc/50/95/63/571509563.db2.gz HEXRAFKDTQBYCB-UHFFFAOYSA-N 0 1 660.243 8.844 50 0 KKAAMN O=C(NCCc1ccccc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12 ZINC000169681829 571557751 /nfs/dbraw/zinc/55/77/51/571557751.db2.gz XGMJJTFICUCZKJ-BDYUSTAISA-N 0 1 511.563 5.067 50 0 KKAAMN C[C@H](c1nnc2n1CCCC2)N(CCCc1c(F)cccc1Cl)CCCc1c(F)cccc1Cl ZINC000225513135 571883999 /nfs/dbraw/zinc/88/39/99/571883999.db2.gz LXXBZMWQWYUQAI-GOSISDBHSA-N 0 1 507.456 6.828 50 0 KKAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2coc3ccc(Cl)cc3c2=O)cc1OC ZINC000263584999 572115787 /nfs/dbraw/zinc/11/57/87/572115787.db2.gz CYOZNVDGDVQMSZ-HNNXBMFYSA-N 0 1 546.915 5.384 50 0 KKAAMN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc2nc(CC(C)C)[nH]c2c1 ZINC000263585728 572119772 /nfs/dbraw/zinc/11/97/72/572119772.db2.gz LRVIMHVVRUDHAZ-CGKUCKGESA-N 0 1 669.823 6.403 50 0 KKAAMN COC(=O)c1cc(C(=O)OC)cc(-c2ccc([C@@H]3CC(=O)Oc4cc(=O)c5c(O)c(-c6ccc(OC)c(OC)c6)coc-5c43)o2)c1 ZINC000263586609 572124304 /nfs/dbraw/zinc/12/43/04/572124304.db2.gz WDBMFVQERIDONC-FQEVSTJZSA-N 0 1 626.570 5.457 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(OCCC)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000226815659 572141883 /nfs/dbraw/zinc/14/18/83/572141883.db2.gz KJDHSCHCWVWFPI-FRXPANAUSA-N 0 1 544.648 6.104 50 0 KKAAMN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(OCCC)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC ZINC000226815659 572141886 /nfs/dbraw/zinc/14/18/86/572141886.db2.gz KJDHSCHCWVWFPI-FRXPANAUSA-N 0 1 544.648 6.104 50 0 KKAAMN CCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(OCC)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000226814325 572142028 /nfs/dbraw/zinc/14/20/28/572142028.db2.gz GBNWYUGARAOTQC-UPRLRBBYSA-N 0 1 516.594 5.324 50 0 KKAAMN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(OCC)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC ZINC000226814325 572142029 /nfs/dbraw/zinc/14/20/29/572142029.db2.gz GBNWYUGARAOTQC-UPRLRBBYSA-N 0 1 516.594 5.324 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3F)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000226893132 572144553 /nfs/dbraw/zinc/14/45/53/572144553.db2.gz VWLYEPWPZOISMM-YQQRZDPSSA-N 0 1 544.582 5.690 50 0 KKAAMN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000226917637 572145339 /nfs/dbraw/zinc/14/53/39/572145339.db2.gz AXWGVJBZYGTVMO-ZGIBFIJWSA-N 0 1 534.568 5.274 50 0 KKAAMN Cc1ccc(C(O)=C2[C@@H](C(=O)c3ccc(Cl)cc3)N3c4ccc(C)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227025369 572147356 /nfs/dbraw/zinc/14/73/56/572147356.db2.gz IZNQXJDTNLMEAP-ZXFZPVEDSA-N 0 1 559.065 6.813 50 0 KKAAMN CCOc1cc([C@@H]2c3c(O)n(-c4cccc(Cl)c4C)c(O)c3ON2c2ccccc2)cc(Br)c1O ZINC000227238299 572151866 /nfs/dbraw/zinc/15/18/66/572151866.db2.gz WSAKJUCXDCNCCF-WMTXJRDZSA-N 0 1 557.828 5.566 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000227241845 572152139 /nfs/dbraw/zinc/15/21/39/572152139.db2.gz DCSMQSUQPJLMAR-UPRLRBBYSA-N 0 1 607.421 6.411 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2C(=C(O)c3ccc(F)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N23)cc1 ZINC000227240510 572152360 /nfs/dbraw/zinc/15/23/60/572152360.db2.gz OMWRNGACGBMPBK-ZHTWWQSJSA-N 0 1 556.637 6.689 50 0 KKAAMN O=C(c1cccs1)[C@@H]1C(=C(O)c2ccc(Br)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000227245888 572152715 /nfs/dbraw/zinc/15/27/15/572152715.db2.gz OUGHCFNSUKARNM-ALBQUZEBSA-N 0 1 581.491 6.367 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227243734 572153007 /nfs/dbraw/zinc/15/30/07/572153007.db2.gz VMXXIZXSKCFXJO-WFPUBZAHSA-N 0 1 579.121 7.210 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2C(=C(O)c3ccccc3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000227295891 572153617 /nfs/dbraw/zinc/15/36/17/572153617.db2.gz HUECZYILIZAWIY-RJISQBBCSA-N 0 1 538.647 6.550 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccccc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229898312 572167371 /nfs/dbraw/zinc/16/73/71/572167371.db2.gz APXNXQBKHBFFJU-BEJGJRQXSA-N 0 1 552.674 6.885 50 0 KKAAMN COc1cccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccc(C)cc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000229901296 572167491 /nfs/dbraw/zinc/16/74/91/572167491.db2.gz HYJFNQZOYUKNBF-FJLMOIIKSA-N 0 1 554.646 6.250 50 0 KKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=C(C)c3cc(C)ccc3N12 ZINC000229902429 572168005 /nfs/dbraw/zinc/16/80/05/572168005.db2.gz BHAUNPDRZCCCNU-TXQUNOLYSA-N 0 1 531.439 6.254 50 0 KKAAMN CCCCCc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccccc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229906867 572168395 /nfs/dbraw/zinc/16/83/95/572168395.db2.gz GKEDSRMNCNPPAI-ITHGDKCPSA-N 0 1 580.728 7.666 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2C(=C(O)c3ccc(F)cc3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N23)cc1 ZINC000229934557 572171335 /nfs/dbraw/zinc/17/13/35/572171335.db2.gz OMWRNGACGBMPBK-IMRGVNHMSA-N 0 1 556.637 6.689 50 0 KKAAMN CC(C)Cc1ccc(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229945143 572172639 /nfs/dbraw/zinc/17/26/39/572172639.db2.gz GUWOERFYNJKZIU-KVOHOPFUSA-N 0 1 593.148 7.456 50 0 KKAAMN CC(C)(C)C(=O)[C@@H]1C(=C(O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000229967349 572174721 /nfs/dbraw/zinc/17/47/21/572174721.db2.gz FFFLNPZJGHOYDF-GURVGDRESA-N 0 1 529.011 6.068 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)[C@H](C(=O)c1ccc(CC(C)C)cc1)[C@@]21c2ccccc2NC1=O ZINC000229970968 572175527 /nfs/dbraw/zinc/17/55/27/572175527.db2.gz SDVIFERUKJDMKH-GHFJTSGJSA-N 0 1 546.711 6.864 50 0 KKAAMN COc1cccc(C(O)=C2[C@H](C(=O)c3ccccc3F)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000229971336 572175538 /nfs/dbraw/zinc/17/55/38/572175538.db2.gz ARHLRNPVGBBQBT-CLWMVSBGSA-N 0 1 544.582 5.690 50 0 KKAAMN Cc1c(Cl)cccc1-n1c(O)c2c(c1O)[C@@H](c1cc3ccccc3nc1Cl)N(c1ccccc1)O2 ZINC000229984410 572176477 /nfs/dbraw/zinc/17/64/77/572176477.db2.gz XECHRCZXJANQFM-RBZQAINGSA-N 0 1 504.373 5.901 50 0 KKAAMN CCCCCc1ccc(C(O)=C2[C@H](C(=O)c3ccc(OC)cc3)N3c4ccccc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000230088391 572183361 /nfs/dbraw/zinc/18/33/61/572183361.db2.gz DVJRTYAMBKNLET-HIOMMUOGSA-N 0 1 610.754 7.674 50 0 KKAAMN 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 572217318 /nfs/dbraw/zinc/21/73/18/572217318.db2.gz BWEQFPMJXCVAOS-XTQYNZLPSA-N 0 1 559.493 6.972 50 0 KKAAMN CCCCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C(C)=C[C@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000245245659 572217660 /nfs/dbraw/zinc/21/76/60/572217660.db2.gz FQWBONXCEUBIIV-MHFPBVHJSA-N 0 1 560.738 7.398 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2C(=C(O)c3ccc(CC(C)C)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000245246094 572218576 /nfs/dbraw/zinc/21/85/76/572218576.db2.gz HYIHZOXHVDKUTQ-KYXGTRGESA-N 0 1 594.755 7.748 50 0 KKAAMN COc1cccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccc(C)cc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000245246096 572218589 /nfs/dbraw/zinc/21/85/89/572218589.db2.gz HYJFNQZOYUKNBF-GSFCIGPDSA-N 0 1 554.646 6.250 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccc(Cl)cc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245246383 572219216 /nfs/dbraw/zinc/21/92/16/572219216.db2.gz KBDZSYVWOIXFFL-GSFCIGPDSA-N 0 1 573.092 7.149 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@H](C(=O)c3ccc(OC)cc3)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000245246430 572219342 /nfs/dbraw/zinc/21/93/42/572219342.db2.gz LNTCLMHEGZCQOO-VIJPYWPYSA-N 0 1 582.700 6.894 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c2ccc(Br)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000245247234 572220813 /nfs/dbraw/zinc/22/08/13/572220813.db2.gz SILKXLCKTCBRLP-JIOPRJIZSA-N 0 1 583.526 6.736 50 0 KKAAMN CCCCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245247550 572220847 /nfs/dbraw/zinc/22/08/47/572220847.db2.gz VOSGPGIOPHVDAV-REYBDAFNSA-N 0 1 581.156 7.661 50 0 KKAAMN Cn1nc(-c2ccccc2)c(CN(C[C@H](O)COC(C)(C)C)C[C@H]2CCCO2)c1Oc1cccc(F)c1 ZINC000245279150 572224220 /nfs/dbraw/zinc/22/42/20/572224220.db2.gz FJVGAVQSDAUGSC-UKILVPOCSA-N 0 1 511.638 5.176 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1Cl)C(C(=O)c1ccco1)[C@@]21C(=O)Nc2ccccc21 ZINC000245309475 572227486 /nfs/dbraw/zinc/22/74/86/572227486.db2.gz DLYNJURBUZENLF-WPQKMFINSA-N 0 1 534.999 6.179 50 0 KKAAMN CC(C)(C)C(=O)[C@@H]1[C@H](C(=O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000245311652 572229270 /nfs/dbraw/zinc/22/92/70/572229270.db2.gz POGLVPOVFGUXSU-PCEYSVKOSA-N 0 1 511.021 5.928 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(C(=O)c3ccco3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)c1 ZINC000245312266 572229796 /nfs/dbraw/zinc/22/97/96/572229796.db2.gz SGSXNADEYJDAMK-YGGCMVMVSA-N 0 1 530.580 5.534 50 0 KKAAMN CC(C)Cc1ccc(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245325646 572231937 /nfs/dbraw/zinc/23/19/37/572231937.db2.gz GUWOERFYNJKZIU-ZPNDBRHUSA-N 0 1 593.148 7.456 50 0 KKAAMN 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588.550 5.357 50 0 KKAAMN Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)cc1C ZINC000248164834 572256188 /nfs/dbraw/zinc/25/61/88/572256188.db2.gz QTXMIGVAITZXAJ-OAQYLSRUSA-N 0 1 517.471 6.256 50 0 KKAAMN Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)cc1C ZINC000248164834 572256190 /nfs/dbraw/zinc/25/61/90/572256190.db2.gz QTXMIGVAITZXAJ-OAQYLSRUSA-N 0 1 517.471 6.256 50 0 KKAAMN Cc1ccc(NC(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1C ZINC000248174007 572256249 /nfs/dbraw/zinc/25/62/49/572256249.db2.gz XYKLEBQEQQPAMU-NRFANRHFSA-N 0 1 517.471 6.256 50 0 KKAAMN Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)c1C ZINC000248167441 572256290 /nfs/dbraw/zinc/25/62/90/572256290.db2.gz SMZIVQGSJKQGLY-HHHXNRCGSA-N 0 1 556.154 5.916 50 0 KKAAMN CCCCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccs3)N3C=Cc4ccccc4[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000248195095 572256555 /nfs/dbraw/zinc/25/65/55/572256555.db2.gz ONYGOYDHSJNGAY-HXLKRRFRSA-N 0 1 572.730 7.463 50 0 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ZINC000009210407 553220913 /nfs/dbraw/zinc/22/09/13/553220913.db2.gz FUXKPVYECJUFJW-DEOSSOPVSA-N 0 1 520.980 6.233 50 0 KKAAMN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CCN(C4CCCCC4)CC3)cnn2-c2ccc(F)cc2)CC1 ZINC000009227736 553222382 /nfs/dbraw/zinc/22/23/82/553222382.db2.gz YGPSNTUOKRHXGA-UHFFFAOYSA-N 0 1 539.696 5.216 50 0 KKAAMN COc1cccc([C@@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2CCc2ccc(OC)c(OC)c2)c1 ZINC000009243203 553226910 /nfs/dbraw/zinc/22/69/10/553226910.db2.gz SGMIFECYIKXKNO-MUUNZHRXSA-N 0 1 513.594 5.213 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccccc5)nc4c32)cc1OC ZINC000009280938 553233156 /nfs/dbraw/zinc/23/31/56/553233156.db2.gz YITFHSOFNWVCLS-RUZDIDTESA-N 0 1 516.561 5.589 50 0 KKAAMN Cc1nn2c(nc(C(C)(C)C)cc2N2CCN(Cc3ccc(C)cc3C)CC2)c1-c1ccc(Cl)cc1 ZINC000009347758 553244409 /nfs/dbraw/zinc/24/44/09/553244409.db2.gz RNDVDIGRXCCZKA-UHFFFAOYSA-N 0 1 502.106 6.595 50 0 KKAAMN CCOc1cc(C(=O)NCc2n[nH]c(=S)n2-c2cccc(C(F)(F)F)c2)cc(OCC)c1OCC ZINC000009369266 553250159 /nfs/dbraw/zinc/25/01/59/553250159.db2.gz IHNSBMJRXNZIJZ-UHFFFAOYSA-N 0 1 510.538 5.075 50 0 KKAAMN CC(=O)[C@H]1C(=C(O)c2ccc(Cl)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000009379881 553251588 /nfs/dbraw/zinc/25/15/88/553251588.db2.gz XCVUDGWOHCQSSU-HQQJGFCBSA-N 0 1 503.385 5.556 50 0 KKAAMN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCCN2CCN(c3ccccc3)CC2)[C@H]1c1cccs1 ZINC000009407173 553256852 /nfs/dbraw/zinc/25/68/52/553256852.db2.gz VJTDEFHECFLXHS-URLMMPGGSA-N 0 1 530.738 5.013 50 0 KKAAMN CN1CCN(c2ccccc2NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)[C@@H]2c2cccs2)CC1 ZINC000009407212 553256949 /nfs/dbraw/zinc/25/69/49/553256949.db2.gz UIIJHNXJGYOHPP-WUFINQPMSA-N 0 1 514.695 5.362 50 0 KKAAMN CSc1ccc(-c2nc(-c3ccccc3Br)c(-c3ccc(Br)cc3)[nH]2)cc1 ZINC000009434201 553263782 /nfs/dbraw/zinc/26/37/82/553263782.db2.gz MSRRNHMVZQJANC-UHFFFAOYSA-N 0 1 500.259 7.658 50 0 KKAAMN COc1ccccc1C1c2c(C)nn(-c3ccccc3)c2Oc2ncn3nc(-c4ccccc4O)nc3c21 ZINC000009487704 553272921 /nfs/dbraw/zinc/27/29/21/553272921.db2.gz TUMLDSLGGYRLLV-XMMPIXPASA-N 0 1 502.534 5.286 50 0 KKAAMN COc1ccc(-c2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)C4c2ccccc2)cc1OC ZINC000009583803 553282345 /nfs/dbraw/zinc/28/23/45/553282345.db2.gz RTPFVHFBCQWKBE-RUZDIDTESA-N 0 1 516.561 5.589 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(Cc5ccccc5)nc4c32)cc1 ZINC000009583955 553282363 /nfs/dbraw/zinc/28/23/63/553282363.db2.gz LHZMPDXLEQSQKP-SANMLTNESA-N 0 1 500.562 5.504 50 0 KKAAMN COc1ccc(-c2[nH]c(-c3ccc(OC)c(OC)c3)nc2SCC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000009674205 553294678 /nfs/dbraw/zinc/29/46/78/553294678.db2.gz BTRCXNMEISSCQD-UHFFFAOYSA-N 0 1 519.579 5.229 50 0 KKAAMN COc1ccc(-c2[nH]c(-c3ccc(C)cc3)nc2SCC(=O)Nc2ccc3c(c2)OCO3)cc1OC ZINC000009674200 553294741 /nfs/dbraw/zinc/29/47/41/553294741.db2.gz OFQWXZZWBCUHRP-UHFFFAOYSA-N 0 1 503.580 5.529 50 0 KKAAMN COc1ccccc1Nc1c2cc(NC(=O)c3cncc(Br)c3)ccc2nc2c1CCCC2 ZINC000009777099 553306473 /nfs/dbraw/zinc/30/64/73/553306473.db2.gz UNEOPAQKEGMYEM-UHFFFAOYSA-N 0 1 503.400 6.276 50 0 KKAAMN CCCCOc1ccc([C@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(OC)c(Cl)c2)cc1 ZINC000009778214 553306860 /nfs/dbraw/zinc/30/68/60/553306860.db2.gz MEHKLGBAQYXJQF-DQEYMECFSA-N 0 1 504.970 5.280 50 0 KKAAMN CCCCOc1ccc([C@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(OC)c(Cl)c2)cc1 ZINC000009778219 553306877 /nfs/dbraw/zinc/30/68/77/553306877.db2.gz MEHKLGBAQYXJQF-LOSJGSFVSA-N 0 1 504.970 5.280 50 0 KKAAMN Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2cc3c(-c4ccccc4F)nn(C)c3s2)CC1 ZINC000009857685 553313531 /nfs/dbraw/zinc/31/35/31/553313531.db2.gz YBCZEUKHLGFWET-UHFFFAOYSA-N 0 1 526.081 5.345 50 0 KKAAMN CCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c1 ZINC000009908028 553316572 /nfs/dbraw/zinc/31/65/72/553316572.db2.gz ILBZRZPPWGMTQA-UHFFFAOYSA-N 0 1 516.425 5.824 50 0 KKAAMN O=C(Nc1ccc(Oc2ccc(NC(=O)c3cc(Cl)ccc3O)cc2)cc1)c1cc(Cl)ccc1O ZINC000011617269 553339852 /nfs/dbraw/zinc/33/98/52/553339852.db2.gz VGXPBWCSRZXXQV-UHFFFAOYSA-N 0 1 509.345 6.702 50 0 KKAAMN Cc1nn(C)c(C)c1[C@H](C)N(C)Cc1cc2cc3c(cc2n(Cc2cc4c(cc2Cl)OCO4)c1=O)CCC3 ZINC000011910465 553348828 /nfs/dbraw/zinc/34/88/28/553348828.db2.gz ZFIBLSAZSVUPLQ-SFHVURJKSA-N 0 1 533.072 5.464 50 0 KKAAMN CCN(CC)CCN(C(=O)c1ccc(C(=O)c2ccccc2)cc1)c1nc2cc3c(cc2s1)OCCO3 ZINC000012140882 553352360 /nfs/dbraw/zinc/35/23/60/553352360.db2.gz DHYLFWJGOBJOBX-UHFFFAOYSA-N 0 1 515.635 5.287 50 0 KKAAMN Cc1nn(-c2ccccc2)c(Sc2nc3ccccc3s2)c1[C@@H]1NC(=N)Nc2nc3ccccc3n21 ZINC000012523749 553383165 /nfs/dbraw/zinc/38/31/65/553383165.db2.gz UPVFMIONNDMPRW-JOCHJYFZSA-N 0 1 508.636 5.388 50 0 KKAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccccc2)cc1 ZINC000012624836 553404901 /nfs/dbraw/zinc/40/49/01/553404901.db2.gz MBRAOHVDLNAIAI-MRXNPFEDSA-N 0 1 519.417 5.055 50 0 KKAAMN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccccc1C(=O)OCc1c(C)cc(C(C)(C)C)cc1C ZINC000012682217 553412758 /nfs/dbraw/zinc/41/27/58/553412758.db2.gz UXNAORBUEKSRCR-UHFFFAOYSA-N 0 1 521.723 7.365 50 0 KKAAMN COc1cc2nc(SCc3cc(Cl)ccc3Cl)n3c(CC4CCCCC4)c(O)nc3c2cc1OC ZINC000012951469 553428621 /nfs/dbraw/zinc/42/86/21/553428621.db2.gz GFAVGPUBVOWEEH-OAQYLSRUSA-N 0 1 532.493 6.873 50 0 KKAAMN COc1ccc([C@H](CNC(=O)c2ccccc2OCc2ccccc2Br)N2CCCC2)cc1 ZINC000013129698 553450800 /nfs/dbraw/zinc/45/08/00/553450800.db2.gz RMJSTGZLWQSKKI-VWLOTQADSA-N 0 1 509.444 5.604 50 0 KKAAMN Cc1ccc(-c2csc(N[P@@](=O)(/C=C(/Cl)c3ccccc3)/C=C(\Cl)c3ccccc3)n2)cc1 ZINC000013305196 553458244 /nfs/dbraw/zinc/45/82/44/553458244.db2.gz JLVZXBKYLHCRQV-JVBWRSBESA-N 0 1 511.414 9.283 50 0 KKAAMN CCCCc1ccc(-c2cc(C(=O)N3CCN(CCCC)CC3)c3cc(Br)ccc3n2)cc1 ZINC000013321659 553458421 /nfs/dbraw/zinc/45/84/21/553458421.db2.gz WCZJSVCQYMZIJK-UHFFFAOYSA-N 0 1 508.504 6.565 50 0 KKAAMN COc1ccc(C(=O)NC(=Cc2ccc(Cl)cc2)c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1OC ZINC000015685676 553534463 /nfs/dbraw/zinc/53/44/63/553534463.db2.gz LWHYQWDFBGLHOX-RGVLZGJSSA-N 0 1 501.892 6.180 50 0 KKAAMN COc1ccc(NC(=O)c2c(NC(=O)CNCc3ccccc3)sc3c2CC[C@@H](C(C)(C)C)C3)cc1 ZINC000015946555 553544662 /nfs/dbraw/zinc/54/46/62/553544662.db2.gz NRAFOCOAXKZXKP-HXUWFJFHSA-N 0 1 505.684 5.888 50 0 KKAAMN CCOc1ccc(NC(=O)c2c(NC(=O)CNCc3ccccc3)sc3c2CC[C@@H](C(C)(C)C)C3)cc1 ZINC000015946764 553544804 /nfs/dbraw/zinc/54/48/04/553544804.db2.gz KNZXJFFWJVKDPM-OAQYLSRUSA-N 0 1 519.711 6.278 50 0 KKAAMN CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(CC)C4)ccc1OC(=O)c1cccc2ccccc21 ZINC000015947261 553545075 /nfs/dbraw/zinc/54/50/75/553545075.db2.gz ZQOLKVJBARGKNO-MHZLTWQESA-N 0 1 527.646 6.326 50 0 KKAAMN COc1ccc(-c2n[nH]c(S[C@@H](CC(=O)NCc3ccccc3)c3ccc(OC)c(OC)c3)n2)cc1 ZINC000015973948 553547830 /nfs/dbraw/zinc/54/78/30/553547830.db2.gz UEJNCDJBBHOIEA-DEOSSOPVSA-N 0 1 504.612 5.037 50 0 KKAAMN COc1ccc(NC(=O)c2ccc(F)cc2Cl)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000015979981 553548307 /nfs/dbraw/zinc/54/83/07/553548307.db2.gz YYRVDAVWSDWGLR-UHFFFAOYSA-N 0 1 513.772 5.303 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000016038451 553552532 /nfs/dbraw/zinc/55/25/32/553552532.db2.gz DZAUPJNSMSKIDR-QAZWXMQQSA-N 0 1 506.602 5.284 50 0 KKAAMN Cc1ccccc1Cc1[nH]n(-c2ccccc2C)c(=O)c1C=C1NC(=O)N(CCCc2ccccc2)C1=O ZINC000016534104 553567566 /nfs/dbraw/zinc/56/75/66/553567566.db2.gz QYYXWMYXGSBPOT-OOAXWGSJSA-N 0 1 506.606 5.311 50 0 KKAAMN CCCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 ZINC000016678197 553571704 /nfs/dbraw/zinc/57/17/04/553571704.db2.gz JVLJNIMTFZZXNM-UHFFFAOYSA-N 0 1 500.020 5.150 50 0 KKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(C)ccc4O)c3[C@@H]2c2cccc(Cl)c2)cc1OC ZINC000016753615 553580866 /nfs/dbraw/zinc/58/08/66/553580866.db2.gz OGDPWCLHXJUNEW-MHZLTWQESA-N 0 1 503.986 5.549 50 0 KKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4c(C)cc(C)cc4O)c3[C@@H]2c2ccccc2F)cc1OC ZINC000016753402 553580894 /nfs/dbraw/zinc/58/08/94/553580894.db2.gz NBLQYBOACCJRHP-NDEPHWFRSA-N 0 1 501.558 5.343 50 0 KKAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@@H](c2cccc(Br)c2)N(Cc2cccnc2)C3=O)cc1Cl ZINC000016956869 553585217 /nfs/dbraw/zinc/58/52/17/553585217.db2.gz JWQHCZGQENDFJZ-HSZRJFAPSA-N 0 1 509.791 5.647 50 0 KKAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@H](c2cccc(OCCC(C)C)c2)N(Cc2cccnc2)C3=O)cc1Cl ZINC000016971889 553585649 /nfs/dbraw/zinc/58/56/49/553585649.db2.gz GRGYNPLUCYHXNZ-NDEPHWFRSA-N 0 1 517.029 6.309 50 0 KKAAMN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(Nc3nc(C)cc(Nc4ccc(C)cc4)n3)cc2)c1 ZINC000017042861 553587113 /nfs/dbraw/zinc/58/71/13/553587113.db2.gz PIRXHAOUEBKUGM-UHFFFAOYSA-N 0 1 505.600 5.399 50 0 KKAAMN CCOc1ccc([C@@H]2N[C@H](c3ccc(OCC)cc3)C3C(=O)C2[C@@H](c2ccc(OCC)cc2)N[C@@H]3c2ccc(OCC)cc2)cc1 ZINC000068582914 553591728 /nfs/dbraw/zinc/59/17/28/553591728.db2.gz KEVVQDVLUNYZPF-NZICQEIVSA-N 0 1 620.790 7.554 50 0 KKAAMN CCOc1ccc(OCC)c(S(=O)(=O)Nc2ccc(Nc3nc(C)cc(Nc4ccccc4)n3)cc2)c1 ZINC000017307273 553593071 /nfs/dbraw/zinc/59/30/71/553593071.db2.gz MWIBYZSUOCTGGA-UHFFFAOYSA-N 0 1 519.627 5.870 50 0 KKAAMN COc1ccc(Br)cc1[C@@H]1c2c(O)n(-c3ccc(Cl)cc3)c(O)c2ON1c1ccccc1 ZINC000017721048 553599334 /nfs/dbraw/zinc/59/93/34/553599334.db2.gz OATLEPQUFIVYPC-BDTNDASRSA-N 0 1 513.775 5.162 50 0 KKAAMN O=S1(=O)c2ccccc2-c2ccc(-c3nc(-c4ccc(Cl)c(Cl)c4)[nH]c3-c3ccccc3)cc21 ZINC000018194153 553608417 /nfs/dbraw/zinc/60/84/17/553608417.db2.gz URQLWWYNVNGIFW-UHFFFAOYSA-N 0 1 503.410 7.531 50 0 KKAAMN CCc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)c3ccccc3n2)cc1 ZINC000020212833 553611794 /nfs/dbraw/zinc/61/17/94/553611794.db2.gz VACFUEIMQDOCHX-UHFFFAOYSA-N 0 1 523.618 5.616 50 0 KKAAMN COc1ccc([C@H](c2sc3ncnn3c2[O-])N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019367044 553614258 /nfs/dbraw/zinc/61/42/58/553614258.db2.gz AHPGBZRMTRLYFE-AREMUKBSSA-N 0 1 511.651 5.002 50 0 KKAAMN CC(C)(C)c1cc([C@H](c2ccc(Cl)cc2)N2CCN(Cc3ccccc3)CC2)cc(C(C)(C)C)c1O ZINC000019618399 553614979 /nfs/dbraw/zinc/61/49/79/553614979.db2.gz RYXWVOIAHOWXOH-LJAQVGFWSA-N 0 1 505.146 7.548 50 0 KKAAMN Cc1ccc2c(c1C)NC(=O)[C@]21N2CCC[C@H]2[C@@H](C(=O)c2cc3ccccc3o2)[C@]12C(=O)Nc1ccccc12 ZINC000070700157 553617996 /nfs/dbraw/zinc/61/79/96/553617996.db2.gz QKXWOBPJMKIGES-JDPWCRRISA-N 0 1 517.585 5.064 50 0 biogenic KKAAMN COc1ccc(C(=O)[C@@H]2C(=C(O)c3ccc(CC(C)C)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)cc1 ZINC000070701045 553620281 /nfs/dbraw/zinc/62/02/81/553620281.db2.gz ZIZNZQBMJVLHGJ-ITMBJVNVSA-N 0 1 596.727 7.140 50 0 biogenic KKAAMN COc1cc(C(O)=C2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000070701254 553621219 /nfs/dbraw/zinc/62/12/19/553621219.db2.gz OIKNNBVNVDJJNB-IJIJIXBQSA-N 0 1 600.671 5.959 50 0 biogenic KKAAMN Cc1ccc(Nc2nc(N)nc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)cc1Cl ZINC000019891130 553630051 /nfs/dbraw/zinc/63/00/51/553630051.db2.gz MZYSKYFKNQMQQF-UHFFFAOYSA-N 0 1 500.050 5.066 50 0 KKAAMN CCCCOc1cccc([C@H]2C(S(=O)(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C)cc2)c1 ZINC000019897777 553632011 /nfs/dbraw/zinc/63/20/11/553632011.db2.gz WDPDIOOKOULSEA-DEOSSOPVSA-N 0 1 512.027 6.159 50 0 KKAAMN CCCCOc1cccc([C@@H]2C(S(=O)(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(C)cc2)c1 ZINC000019897778 553632051 /nfs/dbraw/zinc/63/20/51/553632051.db2.gz WDPDIOOKOULSEA-XMMPIXPASA-N 0 1 512.027 6.159 50 0 KKAAMN CC(C)c1ccc([C@@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000071328666 553635326 /nfs/dbraw/zinc/63/53/26/553635326.db2.gz YFNRPYLHGXFNNX-JOCHJYFZSA-N 0 1 512.425 5.904 50 0 KKAAMN CC(C)c1nc2sc3c(ncnc3N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2c2c1CCC2 ZINC000020394804 553645750 /nfs/dbraw/zinc/64/57/50/553645750.db2.gz CJFFVPPDDRATPM-UHFFFAOYSA-N 0 1 519.718 6.763 50 0 KKAAMN CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(C=Cc4cnc5[nH]ccc5c4OC)c3)cc2C(F)(F)F)CC1 ZINC000072315979 553647144 /nfs/dbraw/zinc/64/71/44/553647144.db2.gz UMBFDGUGXMOMHX-BQYQJAHWSA-N 0 1 577.651 6.459 50 0 KKAAMN Cc1cccc(NC(=O)[C@@H](C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H]2CCCO2)Oc2cccc(C)c2)c1 ZINC000096281481 553737437 /nfs/dbraw/zinc/73/74/37/553737437.db2.gz QMTCUQUMPWAUCA-LITSAYRRSA-N 0 1 502.611 5.099 50 0 KKAAMN Cc1cccc(NC(=O)[C@@H](CN(Cc2ccc3c(c2)OCO3)C[C@@H]2CCCO2)Oc2cccc(C)c2)c1 ZINC000096281481 553737439 /nfs/dbraw/zinc/73/74/39/553737439.db2.gz QMTCUQUMPWAUCA-LITSAYRRSA-N 0 1 502.611 5.099 50 0 KKAAMN COc1cccc([C@H](c2sc3ncnn3c2[O-])N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000022609880 553748178 /nfs/dbraw/zinc/74/81/78/553748178.db2.gz VOUZMNHZXNTUGH-AREMUKBSSA-N 0 1 511.651 5.002 50 0 KKAAMN CCCCCCOc1ccc(N2C(=O)C[C@@H](N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2=O)cc1 ZINC000023006856 553768696 /nfs/dbraw/zinc/76/86/96/553768696.db2.gz YXWMTJHZUFDDAI-SSEXGKCCSA-N 0 1 525.693 5.685 50 0 KKAAMN Cc1nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[nH]c(=O)c1Cc1ccc(Br)cc1 ZINC000097945490 553772673 /nfs/dbraw/zinc/77/26/73/553772673.db2.gz XOKSQWQZDFDURF-UHFFFAOYSA-N 0 1 529.482 5.343 50 0 KKAAMN COc1ccc2c(c1)CCc1c(-c3ccc(C(=O)N(C)Cc4cc(OC)c(OC)c(OC)c4)cc3)n[nH]c1-2 ZINC000025155639 553798501 /nfs/dbraw/zinc/79/85/01/553798501.db2.gz DCMDFZGCCGXXPY-UHFFFAOYSA-N 0 1 513.594 5.149 50 0 KKAAMN CCOc1cccc(-c2cccc(-c3nc(CN4CCC[C@H](CCc5ccc(C(C)(C)C)cc5)C4)cs3)c2)c1 ZINC000025155773 553798758 /nfs/dbraw/zinc/79/87/58/553798758.db2.gz OTAQGNADWZKEKY-HHHXNRCGSA-N 0 1 538.801 9.018 50 0 KKAAMN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1)c1c3nc(-c4cc5ccccc5cc4O)nn3cnc1O2 ZINC000097954170 553821924 /nfs/dbraw/zinc/82/19/24/553821924.db2.gz SGEFSTKZMGHROC-MHZLTWQESA-N 0 1 522.568 6.430 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccccc5C)nc4c32)cc1OC ZINC000097954464 553823402 /nfs/dbraw/zinc/82/34/02/553823402.db2.gz MHBUQGCINNEXBI-SANMLTNESA-N 0 1 530.588 5.897 50 0 KKAAMN Fc1ccccc1C1=NN2[C@@H](C1)c1cc(Br)ccc1OC21CCN([C@@H]2CCCc3ccccc32)CC1 ZINC000097955292 553830743 /nfs/dbraw/zinc/83/07/43/553830743.db2.gz ZMUUQGILHLYLIZ-IZLXSDGUSA-N 0 1 546.484 7.001 50 0 KKAAMN Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3c(c2)nc(CCN2CCN(c4ccc(F)cc4)CC2)n3C)c1 ZINC000097956285 553837408 /nfs/dbraw/zinc/83/74/08/553837408.db2.gz AOYGPGURRSABDK-UHFFFAOYSA-N 0 1 543.687 5.526 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4cccc(Cl)c4)c3Oc3ncn4nc(-c5ccncc5)nc4c32)cc1 ZINC000097956611 553840056 /nfs/dbraw/zinc/84/00/56/553840056.db2.gz PZNKLDULJZWNFD-QHCPKHFHSA-N 0 1 521.968 5.628 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4cccc(Cl)c4)c3Oc3ncn4nc(-c5ccccn5)nc4c32)cc1 ZINC000097956620 553840097 /nfs/dbraw/zinc/84/00/97/553840097.db2.gz PTXXNWBZIKCUJB-QHCPKHFHSA-N 0 1 521.968 5.628 50 0 KKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4c(C)cc(C)cc4O)c3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000029749234 553851571 /nfs/dbraw/zinc/85/15/71/553851571.db2.gz FLNYBDXUVRTBRE-PMERELPUSA-N 0 1 573.646 5.230 50 0 KKAAMN COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(I)c(O)c(I)c5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000097959197 553861755 /nfs/dbraw/zinc/86/17/55/553861755.db2.gz ZYVNEXHZOHFLIL-NFYDWNOTSA-N 0 1 748.380 5.251 50 0 KKAAMN COc1ccc([C@@H]2[C@@H](C(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000033356768 553944180 /nfs/dbraw/zinc/94/41/80/553944180.db2.gz KWSJJVDGRSPSGS-XDFJSJKPSA-N 0 1 591.152 5.170 50 0 KKAAMN CCOc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)cc2Br)cc1 ZINC000033358407 553955372 /nfs/dbraw/zinc/95/53/72/553955372.db2.gz XDXOKJKXFIZXMB-GOTSBHOMSA-N 0 1 643.148 7.523 50 0 KKAAMN CCOc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(F)c2)cc1 ZINC000033358413 553955431 /nfs/dbraw/zinc/95/54/31/553955431.db2.gz BUOWEROSIHYZMS-DHIUTWEWSA-N 0 1 582.242 6.899 50 0 KKAAMN COc1cccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2cccs2)c1 ZINC000033358452 553955712 /nfs/dbraw/zinc/95/57/12/553955712.db2.gz DMPYAINCYIWKBY-OALUTQOASA-N 0 1 542.227 6.123 50 0 KKAAMN COc1cccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2cccs2)c1 ZINC000033358451 553955818 /nfs/dbraw/zinc/95/58/18/553955818.db2.gz DMPYAINCYIWKBY-RTBURBONSA-N 0 1 542.227 6.123 50 0 KKAAMN O=C1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@H](c2cccc(F)c2)N1c1ccc(Br)cc1 ZINC000033358480 553956144 /nfs/dbraw/zinc/95/61/44/553956144.db2.gz BABSFDQTNWYKKH-PMACEKPBSA-N 0 1 603.058 6.955 50 0 KKAAMN O=S(=O)(c1ccc(F)cc1)N(c1ccc(F)cc1)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000034683700 553985950 /nfs/dbraw/zinc/98/59/50/553985950.db2.gz GUMYZQBVXZAMIP-UHFFFAOYSA-N 0 1 510.528 5.844 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC=C2c3ccccc3C(=O)N(c3ccc(C)cc3C)C2=O)c1 ZINC000097980486 553989000 /nfs/dbraw/zinc/98/90/00/553989000.db2.gz IWRGDAHXVCVACY-LGUFXXKBSA-N 0 1 553.640 5.753 50 0 KKAAMN CCOC(=O)c1c(NC=C2c3ccccc3C(=O)N(c3cccc(S(=O)(=O)Nc4ccccc4OC)c3)C2=O)sc2c1CC[C@H](C)C2 ZINC000097980557 553989527 /nfs/dbraw/zinc/98/95/27/553989527.db2.gz WQDRWONLFKRIOY-FCIOZCPLSA-N 0 1 671.797 6.499 50 0 KKAAMN O=S(=O)(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1N1CCCCCC1)c1ccc2ccccc2c1 ZINC000097981263 553992615 /nfs/dbraw/zinc/99/26/15/553992615.db2.gz YDVODKCWRAYEKH-UHFFFAOYSA-N 0 1 570.136 6.475 50 0 KKAAMN Cc1ccc(N2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)c(NS(=O)(=O)c2ccccc2)c1 ZINC000034737776 553998507 /nfs/dbraw/zinc/99/85/07/553998507.db2.gz PDKAURCPLIVPTB-UHFFFAOYSA-N 0 1 503.546 5.647 50 0 KKAAMN Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000097982731 554005174 /nfs/dbraw/zinc/00/51/74/554005174.db2.gz RWRIWKYLNQYFOG-UHFFFAOYSA-N 0 1 543.664 5.482 50 0 KKAAMN O=C(Nc1cc(C(F)(F)F)ccc1C(F)(F)F)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000097982855 554005178 /nfs/dbraw/zinc/00/51/78/554005178.db2.gz PGQPFRYEWCRYGE-UHFFFAOYSA-N 0 1 567.305 6.540 50 0 KKAAMN O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000097982872 554005600 /nfs/dbraw/zinc/00/56/00/554005600.db2.gz LVFWEVMEWMPWDD-UHFFFAOYSA-N 0 1 594.473 5.986 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(NP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)c1 ZINC000097983576 554010067 /nfs/dbraw/zinc/01/00/67/554010067.db2.gz DAFOWWYLHTZZGT-UHFFFAOYSA-N 0 1 544.569 7.213 50 0 KKAAMN CCN1CCN(c2c(CN(CC(C)C)C(=O)CCc3ccccc3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831335 554017010 /nfs/dbraw/zinc/01/70/10/554017010.db2.gz BAXGKBAKHOCCAI-UHFFFAOYSA-N 0 1 505.682 5.079 50 0 KKAAMN Cc1nn(-c2ccccc2)c(N2CCN(C)CC2)c1CN(CCC(C)C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000034834656 554018852 /nfs/dbraw/zinc/01/88/52/554018852.db2.gz WEEAECVLKXGRLX-UHFFFAOYSA-N 0 1 515.746 5.919 50 0 KKAAMN CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(C(C)C)CC1)C(=O)CCC1CCCC1 ZINC000034835409 554019618 /nfs/dbraw/zinc/01/96/18/554019618.db2.gz DQEJJBBJVXTXIG-UHFFFAOYSA-N 0 1 511.730 5.813 50 0 KKAAMN CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(C(C)C)CC1)C(=O)c1ccc(C)cc1 ZINC000034835396 554019641 /nfs/dbraw/zinc/01/96/41/554019641.db2.gz HQPUFZSRXWZRBG-UHFFFAOYSA-N 0 1 505.682 5.465 50 0 KKAAMN CCCCNC(=O)N(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(C(C)C)CC1)CC(C)C ZINC000034835759 554019930 /nfs/dbraw/zinc/01/99/30/554019930.db2.gz HZXOIGUHKNEGMH-UHFFFAOYSA-N 0 1 500.707 5.072 50 0 KKAAMN CCCCOc1ccc(C(=O)N(Cc2c(C)nn(-c3cccc(F)c3)c2N2CCN(CC)CC2)C2CC2)cc1 ZINC000034835636 554020011 /nfs/dbraw/zinc/02/00/11/554020011.db2.gz NFQBAHCHUHBVLO-UHFFFAOYSA-N 0 1 533.692 5.445 50 0 KKAAMN COc1ccc(/C=C2\CN(C)CC3=C2N=C2SC=C(c4ccccc4)N2[C@H]3c2ccc(OC)cc2)cc1 ZINC000034859678 554021733 /nfs/dbraw/zinc/02/17/33/554021733.db2.gz CSUQHRYVIMMDIO-MTSDRYNISA-N 0 1 507.659 6.445 50 0 KKAAMN CCCCc1nc(SCC(=O)Nc2cc(Br)c(Br)c(Br)c2OC)n[nH]1 ZINC000097995336 554034127 /nfs/dbraw/zinc/03/41/27/554034127.db2.gz WRUYQLARBOHHQQ-UHFFFAOYSA-N 0 1 557.106 5.174 50 0 KKAAMN CCCCc1n[nH]c(SCC(=O)Nc2cc(Br)c(Br)c(Br)c2OC)n1 ZINC000097995336 554034130 /nfs/dbraw/zinc/03/41/30/554034130.db2.gz WRUYQLARBOHHQQ-UHFFFAOYSA-N 0 1 557.106 5.174 50 0 KKAAMN COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cc(Br)cc(C)c2OC)c1 ZINC000097995651 554036501 /nfs/dbraw/zinc/03/65/01/554036501.db2.gz PWFLLBJPUYVAOA-UHFFFAOYSA-N 0 1 552.469 5.127 50 0 KKAAMN Cc1c(Cl)cccc1NC(=O)CSC1=NC2(CCN(C)CC2)N=C1c1ccc(Br)cc1 ZINC000035397197 554047779 /nfs/dbraw/zinc/04/77/79/554047779.db2.gz SFEMVODDGWCEDQ-UHFFFAOYSA-N 0 1 519.896 5.406 50 0 KKAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1cc(OC)cc(OC)c1)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000035397179 554047834 /nfs/dbraw/zinc/04/78/34/554047834.db2.gz INBRWEZJTIEIAK-UHFFFAOYSA-N 0 1 522.715 5.386 50 0 KKAAMN Cc1[nH]c(SCC(=O)Nc2cccc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2)nc1Cc1ccccc1 ZINC000035655334 554062034 /nfs/dbraw/zinc/06/20/34/554062034.db2.gz PKRQSFJEQSIFJF-UHFFFAOYSA-N 0 1 514.695 6.195 50 0 KKAAMN CC(C)C[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000098007325 554063560 /nfs/dbraw/zinc/06/35/60/554063560.db2.gz SXAGVEHGYUSQRE-NZOAYYAZSA-N 0 1 562.497 5.555 50 0 KKAAMN Cc1ccc([C@@H]2c3c(O)n(-c4cccc(C(F)(F)F)c4)c(O)c3ON2c2cccc(Br)c2)cc1 ZINC000098008271 554067179 /nfs/dbraw/zinc/06/71/79/554067179.db2.gz UBUGFDQTDHKARO-BDTNDASRSA-N 0 1 531.328 5.827 50 0 KKAAMN Cc1ccsc1CN(Cc1ccc(F)cc1)C(=O)CN(CCN1CCCC1)C(=O)c1ccccc1Cl ZINC000035774003 554073668 /nfs/dbraw/zinc/07/36/68/554073668.db2.gz KPNHOWKZTHTFLP-UHFFFAOYSA-N 0 1 528.093 5.616 50 0 KKAAMN Cc1ccsc1CN(Cc1ccccc1)C(=O)CN(CCN1CCCC1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000035774558 554073875 /nfs/dbraw/zinc/07/38/75/554073875.db2.gz VWUZGCKKVZWBTJ-UHFFFAOYSA-N 0 1 533.782 5.726 50 0 KKAAMN COCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)cc1)Cc1ccccc1 ZINC000035842726 554081573 /nfs/dbraw/zinc/08/15/73/554081573.db2.gz JWBHWWNGKFNCOH-UHFFFAOYSA-N 0 1 504.074 5.931 50 0 KKAAMN O=C(NCCc1ccccc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12 ZINC000035871441 554085712 /nfs/dbraw/zinc/08/57/12/554085712.db2.gz XGMJJTFICUCZKJ-XNMGPUDCSA-N 0 1 511.563 5.067 50 0 KKAAMN O=C(NCc1ccco1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@H]12 ZINC000035871392 554085881 /nfs/dbraw/zinc/08/58/81/554085881.db2.gz PSYPOUXRHNSNTM-ISKFKSNPSA-N 0 1 503.952 5.131 50 0 KKAAMN O=C(NCCc1cccs1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12 ZINC000035908046 554092358 /nfs/dbraw/zinc/09/23/58/554092358.db2.gz LJTKYKHOOQYBBA-ILBGXUMGSA-N 0 1 517.592 5.128 50 0 KKAAMN O=C(NCCc1cccs1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12 ZINC000035908047 554092504 /nfs/dbraw/zinc/09/25/04/554092504.db2.gz LJTKYKHOOQYBBA-UKILVPOCSA-N 0 1 517.592 5.128 50 0 KKAAMN O=C(c1cccc(CSc2nc(-c3ccccc3)cc(N3CCN(Cc4ccccc4)CC3)n2)c1)N1CCCC1 ZINC000098015097 554095854 /nfs/dbraw/zinc/09/58/54/554095854.db2.gz LWLUVMOYAFLMNT-UHFFFAOYSA-N 0 1 549.744 5.994 50 0 KKAAMN CCOc1ccc(N2C(=O)CS[C@H]2c2ccc(NS(=O)(=O)c3cccc4cccnc43)cc2)cc1 ZINC000035912465 554096059 /nfs/dbraw/zinc/09/60/59/554096059.db2.gz FIFSKVQCAVAITL-SANMLTNESA-N 0 1 505.621 5.213 50 0 KKAAMN COCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)Cc1ccccc1 ZINC000098020116 554116874 /nfs/dbraw/zinc/11/68/74/554116874.db2.gz LROYAUBYIGLGBU-YTTGMZPUSA-N 0 1 569.790 5.979 50 0 KKAAMN COCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)Cc1ccccc1 ZINC000098020115 554116900 /nfs/dbraw/zinc/11/69/00/554116900.db2.gz LROYAUBYIGLGBU-JGCGQSQUSA-N 0 1 569.790 5.979 50 0 KKAAMN COc1ccc(C2=CSC3=NC4=C(CN(C)C/C4=C\c4ccc(F)cc4)[C@H](c4ccc(F)cc4)N23)cc1 ZINC000036007040 554131970 /nfs/dbraw/zinc/13/19/70/554131970.db2.gz JOYXXXWCYAFKLT-NKVKBKOUSA-N 0 1 513.613 6.715 50 0 KKAAMN COc1cc([C@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2Cc2cccnc2)cc(Br)c1O ZINC000098046958 554145559 /nfs/dbraw/zinc/14/55/59/554145559.db2.gz PNZVLQHXMXCNAD-QHCPKHFHSA-N 0 1 535.398 5.016 50 0 KKAAMN CCc1ccc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000098046962 554145584 /nfs/dbraw/zinc/14/55/84/554145584.db2.gz QSQVSXRKRYSIRA-LJAQVGFWSA-N 0 1 532.040 6.112 50 0 KKAAMN CCN1CCN(c2cc(C(C)(C)C)nc(SCc3ccc(C(=O)N(C)Cc4ccccc4)cc3)n2)CC1 ZINC000036065100 554163444 /nfs/dbraw/zinc/16/34/44/554163444.db2.gz HKRWYYFYIGZILA-UHFFFAOYSA-N 0 1 517.743 5.481 50 0 KKAAMN CCOc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000098049873 554169836 /nfs/dbraw/zinc/16/98/36/554169836.db2.gz ZVPCQNNUTUSRIV-PKTZIBPZSA-N 0 1 564.252 6.760 50 0 KKAAMN COc1ccc(OC)c([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(Cl)c2)c1 ZINC000098049918 554170253 /nfs/dbraw/zinc/17/02/53/554170253.db2.gz SBYXZCIDVINVDT-GOTSBHOMSA-N 0 1 614.696 7.032 50 0 KKAAMN COc1ccc(OC)c([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Br)c(C)c2)c1 ZINC000098050018 554170994 /nfs/dbraw/zinc/17/09/94/554170994.db2.gz XLZPCXJJRCZLCT-XZOQPEGZSA-N 0 1 659.147 7.141 50 0 KKAAMN COc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1Br ZINC000098050020 554171004 /nfs/dbraw/zinc/17/10/04/554171004.db2.gz XUXCVWWDPWMIQI-VXKWHMMOSA-N 0 1 663.566 7.786 50 0 KKAAMN CCOc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cccc(Cl)c2C)cc1 ZINC000098050005 554171078 /nfs/dbraw/zinc/17/10/78/554171078.db2.gz LOYDPPCMRHMCDR-DHIUTWEWSA-N 0 1 598.697 7.413 50 0 KKAAMN CCOc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Cl)c(Cl)c2)cc1 ZINC000098050029 554171429 /nfs/dbraw/zinc/17/14/29/554171429.db2.gz KGQBYAKAXUZSSY-FGZHOGPDSA-N 0 1 619.115 7.758 50 0 KKAAMN COc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000098050093 554171993 /nfs/dbraw/zinc/17/19/93/554171993.db2.gz DLGUBAAHGFATMM-DHIUTWEWSA-N 0 1 596.250 6.079 50 0 KKAAMN CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc5[nH]ccc54)c3)cc2C(F)(F)F)CC1 ZINC000098209221 554177090 /nfs/dbraw/zinc/17/70/90/554177090.db2.gz SMPGEBOIKULBCT-UHFFFAOYSA-N 0 1 537.586 6.072 50 0 in-vitro KKAAMN COCCCN(Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccc(OC)cc1 ZINC000036167677 554199939 /nfs/dbraw/zinc/19/99/39/554199939.db2.gz WJTDQGVXKFAFAU-UHFFFAOYSA-N 0 1 507.577 5.889 50 0 KKAAMN Cc1ccc(-c2csc3[nH]c(CN(C[C@H](O)Cc4ccccc4)C4CCCCC4)nc(=O)c23)cc1C ZINC000036205355 554201327 /nfs/dbraw/zinc/20/13/27/554201327.db2.gz BQPSENSCVSOJSF-RUZDIDTESA-N 0 1 501.696 6.007 50 0 KKAAMN O=C1C[C@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000100092817 554213102 /nfs/dbraw/zinc/21/31/02/554213102.db2.gz FRFJJDVKAIXDGI-DEOSSOPVSA-N 0 1 527.974 5.398 50 0 KKAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@H](O)COC(C)(C)C ZINC000036304972 554214845 /nfs/dbraw/zinc/21/48/45/554214845.db2.gz ISGQHFPSGRKVEV-NRFANRHFSA-N 0 1 502.055 5.157 50 0 KKAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@H](O)Cc1ccccc1 ZINC000036304955 554214958 /nfs/dbraw/zinc/21/49/58/554214958.db2.gz AAYOBHHMPARSLG-XMMPIXPASA-N 0 1 506.046 5.585 50 0 KKAAMN COc1ccc(C2=NN(C(=O)CN3CCC(Cc4ccccc4)CC3)[C@H](c3ccccc3Cl)C2)c(OC)c1 ZINC000036341034 554220542 /nfs/dbraw/zinc/22/05/42/554220542.db2.gz WLJBSDBIAVQXDF-LJAQVGFWSA-N 0 1 532.084 5.990 50 0 KKAAMN COc1ccc(OC)c([C@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN2CCC(Cc3ccccc3)CC2)c1 ZINC000036341698 554221000 /nfs/dbraw/zinc/22/10/00/554221000.db2.gz XNZYUGDBMCDATE-WJOKGBTCSA-N 0 1 525.693 5.953 50 0 KKAAMN COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN2CCC(Cc3ccccc3)CC2)c(OC)c1 ZINC000036344188 554222561 /nfs/dbraw/zinc/22/25/61/554222561.db2.gz NSZWIQUYJDSWBA-LJAQVGFWSA-N 0 1 515.629 5.475 50 0 KKAAMN COc1ccc([C@@H]2CC(c3cc(C)ccc3C)=NN2C(=O)CN2CCC(Cc3ccccc3)CC2)c(OC)c1 ZINC000036344468 554223092 /nfs/dbraw/zinc/22/30/92/554223092.db2.gz ZAOKQPIOESCFGY-HKBQPEDESA-N 0 1 525.693 5.953 50 0 KKAAMN COc1ccc(C2=NN(C(=O)CN3CCC(Cc4ccccc4)CC3)[C@H](c3ccc(C)cc3C)C2)c(OC)c1 ZINC000036345793 554223569 /nfs/dbraw/zinc/22/35/69/554223569.db2.gz IXKKBHVDOVLRCT-HKBQPEDESA-N 0 1 525.693 5.953 50 0 KKAAMN C[C@H]1CCCCN1CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000038150040 554271265 /nfs/dbraw/zinc/27/12/65/554271265.db2.gz DAHYKHKOXKQRNL-JTHIVGNPSA-N 0 1 536.097 5.271 50 0 KKAAMN CC(=O)N1c2cc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(Br)cc2C[C@H]1C ZINC000040450570 554285540 /nfs/dbraw/zinc/28/55/40/554285540.db2.gz KLLMNFPRSVEZNC-SECBINFHSA-N 0 1 511.747 5.220 50 0 KKAAMN Cc1nn2c(nc3c(c2N2CCN(CCOc4cccc5ccccc54)CC2)CCCC3)c1-c1ccccc1 ZINC000054284503 554349402 /nfs/dbraw/zinc/34/94/02/554349402.db2.gz FJRQDTQCAYUENO-UHFFFAOYSA-N 0 1 517.677 5.938 50 0 KKAAMN Cc1ccsc1C(=O)N1CCC(Oc2ccc(CN3CCN(c4cccc(Cl)c4)CC3)cc2)CC1 ZINC000055326857 554350567 /nfs/dbraw/zinc/35/05/67/554350567.db2.gz BISVWEAWMSDEJI-UHFFFAOYSA-N 0 1 510.103 5.716 50 0 KKAAMN COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1 ZINC000057222757 554352667 /nfs/dbraw/zinc/35/26/67/554352667.db2.gz UKLXHULSYCOVRB-UHFFFAOYSA-N 0 1 522.045 5.083 50 0 KKAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000057222908 554353042 /nfs/dbraw/zinc/35/30/42/554353042.db2.gz BFQJLLNZVLZMSF-UHFFFAOYSA-N 0 1 512.437 5.745 50 0 KKAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc(OC)c(Cl)c2)c1 ZINC000057222953 554353169 /nfs/dbraw/zinc/35/31/69/554353169.db2.gz FNUOGPMDJAPNLL-UHFFFAOYSA-N 0 1 508.018 5.100 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C)cc3)C2)[C@H]1c1cccc(Br)c1 ZINC000100425399 554386612 /nfs/dbraw/zinc/38/66/12/554386612.db2.gz QRIRZBZTWVIZLL-GPNASLBKSA-N 0 1 557.532 8.888 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C)cc3)CC(=O)C2[C@@H]1c1ccccc1Cl ZINC000100426017 554387313 /nfs/dbraw/zinc/38/73/13/554387313.db2.gz ZWGCQRIPKHTBDR-UDNBHOFDSA-N 0 1 513.081 8.779 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C)cc3)CC(=O)C2[C@H]1c1ccccc1Cl ZINC000100426024 554387426 /nfs/dbraw/zinc/38/74/26/554387426.db2.gz ZWGCQRIPKHTBDR-JIYROHSKSA-N 0 1 513.081 8.779 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000100426216 554387639 /nfs/dbraw/zinc/38/76/39/554387639.db2.gz SFFSCYPFHDITEB-HEIROHQZSA-N 0 1 529.080 8.479 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(Cl)c1 ZINC000100426554 554388390 /nfs/dbraw/zinc/38/83/90/554388390.db2.gz AUMDEPMWHHJMNO-FLASPHMUSA-N 0 1 559.106 8.488 50 0 KKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@@H]3c2ccc(Cl)cc2)cc1OC ZINC000100426517 554388414 /nfs/dbraw/zinc/38/84/14/554388414.db2.gz SOJSSVZPBXSFFM-GJBXTBEHSA-N 0 1 565.069 8.221 50 0 KKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000100426484 554388419 /nfs/dbraw/zinc/38/84/19/554388419.db2.gz WMZYZNQIGJSTFK-KEEVHDRGSA-N 0 1 517.025 7.317 50 0 KKAAMN CC[C@H](C)Oc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccc(OC)c(OC)c3)CC2=O)Nc2ccccc2N1C(=O)c1ccccc1 ZINC000100426594 554388711 /nfs/dbraw/zinc/38/87/11/554388711.db2.gz NIWLAWAOUAVREA-CUWQHWEFSA-N 0 1 602.731 8.745 50 0 biogenic KKAAMN COc1ccc([C@H]2C3=C(C[C@@H](c4ccc(OC)c(OC)c4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000100429528 554390484 /nfs/dbraw/zinc/39/04/84/554390484.db2.gz RVIQRGRUYCGPCN-GZGVDWRWSA-N 0 1 560.650 7.576 50 0 KKAAMN COc1ccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1OC ZINC000100429644 554390898 /nfs/dbraw/zinc/39/08/98/554390898.db2.gz BYARULXIBFHDEY-UVDDSOTQSA-N 0 1 520.585 7.161 50 0 KKAAMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000059641253 554416921 /nfs/dbraw/zinc/41/69/21/554416921.db2.gz NAYLGMVLHCJBLT-UHFFFAOYSA-N 0 1 628.172 5.909 50 0 KKAAMN Cc1ccc(F)cc1N1C(=O)C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@@H]1c1ccc2c(c1)OCO2 ZINC000100578037 554423959 /nfs/dbraw/zinc/42/39/59/554423959.db2.gz YAMVVGQQVHIQAK-VXKWHMMOSA-N 0 1 582.198 6.229 50 0 KKAAMN COc1cccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2ccc3c(c2)OCO3)c1 ZINC000100578023 554424027 /nfs/dbraw/zinc/42/40/27/554424027.db2.gz CUJBTEOLMXIGME-VXKWHMMOSA-N 0 1 580.207 5.790 50 0 KKAAMN CCOc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000100578012 554424145 /nfs/dbraw/zinc/42/41/45/554424145.db2.gz RPWRFHRDEGIJQZ-DHIUTWEWSA-N 0 1 594.234 6.180 50 0 KKAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2ccc(F)cc2)cc1F ZINC000100584280 554425678 /nfs/dbraw/zinc/42/56/78/554425678.db2.gz COXXCZRDUJMZMP-NHCUHLMSSA-N 0 1 556.179 6.640 50 0 KKAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2cccc(F)c2)cc1Cl ZINC000100584629 554426054 /nfs/dbraw/zinc/42/60/54/554426054.db2.gz WWTAUXYNGBQUEE-RTWAWAEBSA-N 0 1 572.634 7.154 50 0 KKAAMN Cc1ccc(F)cc1N1C(=O)C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@H]1c1ccc(F)cc1 ZINC000100584548 554426121 /nfs/dbraw/zinc/42/61/21/554426121.db2.gz XOWYJFOFMTXQAA-NHCUHLMSSA-N 0 1 556.179 6.640 50 0 KKAAMN Cc1ccc(Cl)cc1N1C(=O)C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@H]1c1ccc(F)cc1 ZINC000100584365 554426136 /nfs/dbraw/zinc/42/61/36/554426136.db2.gz CAEHMNZMHBHXPW-RTWAWAEBSA-N 0 1 572.634 7.154 50 0 KKAAMN COc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(F)cc2)cc1OC ZINC000100586060 554426737 /nfs/dbraw/zinc/42/67/37/554426737.db2.gz OTRAZMACFDGYAP-FGZHOGPDSA-N 0 1 584.214 6.209 50 0 KKAAMN O=C(NCCCc1nc2ccc(Cc3ccc4[nH]c(CCCNC(=O)C5CCCCC5)nc4c3)cc2[nH]1)C1CCCCC1 ZINC000100624790 554434736 /nfs/dbraw/zinc/43/47/36/554434736.db2.gz RBQMYRUMBJASEJ-UHFFFAOYSA-N 0 1 582.793 6.288 50 0 KKAAMN O=C(NCCCc1nc2ccc(Cc3ccc4nc(CCCNC(=O)C5CCCCC5)[nH]c4c3)cc2[nH]1)C1CCCCC1 ZINC000100624790 554434738 /nfs/dbraw/zinc/43/47/38/554434738.db2.gz RBQMYRUMBJASEJ-UHFFFAOYSA-N 0 1 582.793 6.288 50 0 KKAAMN Cc1ccc2c(c1C)NC(=O)[C@@]21N2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@]12c1ccccc1NC2=O ZINC000059932650 554481794 /nfs/dbraw/zinc/48/17/94/554481794.db2.gz YOTKJXYNGWBHAW-RHDHJKTESA-N 0 1 527.624 5.471 50 0 KKAAMN CC(=O)[C@H]1C(=C(O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N12 ZINC000100879973 554506682 /nfs/dbraw/zinc/50/66/82/554506682.db2.gz VLYVFFQCIYDANP-MEWSVHOLSA-N 0 1 547.836 5.665 50 0 KKAAMN COc1ccc(Nc2cc(C)nc(Nc3ccc(NS(=O)(=O)c4cc(C(C)(C)C)ccc4OC)cc3)n2)cc1 ZINC000100957671 554540683 /nfs/dbraw/zinc/54/06/83/554540683.db2.gz PLBWMFIRKMSBPJ-UHFFFAOYSA-N 0 1 547.681 6.388 50 0 KKAAMN COc1ccc(C2=CSC3=NC4=C(CN(C)C/C4=C\c4ccc(Cl)cc4)[C@@H](c4ccc(Cl)cc4)N23)cc1 ZINC000100975243 554546790 /nfs/dbraw/zinc/54/67/90/554546790.db2.gz PGAMAJHGBBLEKD-LQSCNRDHSA-N 0 1 546.523 7.743 50 0 KKAAMN CN1CC2=C(N=C3SC=C(c4ccc5c(c4)OCCO5)N3[C@@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 ZINC000100976809 554547030 /nfs/dbraw/zinc/54/70/30/554547030.db2.gz JYAMMINFLKKSNR-XOFDCVHHSA-N 0 1 541.623 6.477 50 0 KKAAMN CCCc1ccc(C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@@H]3[C@]23c2ccccc2NC3=O)cc1 ZINC000100998132 554551524 /nfs/dbraw/zinc/55/15/24/554551524.db2.gz NIOSPUXLRSXJGY-GXIQWAOMSA-N 0 1 518.657 6.228 50 0 KKAAMN COc1cccc(C(O)=C2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000101024766 554563160 /nfs/dbraw/zinc/56/31/60/554563160.db2.gz QCJAKAPRBRZDBT-WFPUBZAHSA-N 0 1 526.592 5.551 50 0 KKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(C)ccc3N12 ZINC000101064289 554570927 /nfs/dbraw/zinc/57/09/27/554570927.db2.gz HHQMTGCKXNUNFX-YIPGRGJBSA-N 0 1 527.418 5.320 50 0 KKAAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=S)Nc3ccccc3)[C@@H]2c2ccc(Br)cc2)C1 ZINC000101071527 554575747 /nfs/dbraw/zinc/57/57/47/554575747.db2.gz PJLOTOJIPNQRGJ-AREMUKBSSA-N 0 1 532.507 8.112 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@H]1N2[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c2ccc3c(c2)OCO3)[C@@]12c1ccccc1NC2=O ZINC000101097873 554584909 /nfs/dbraw/zinc/58/49/09/554584909.db2.gz PRJYDBXFTUUXMI-GXIQWAOMSA-N 0 1 548.639 5.702 50 0 KKAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCCN(C(=O)c2cccc(Br)c2)CC1 ZINC000101098460 554585528 /nfs/dbraw/zinc/58/55/28/554585528.db2.gz CIHIKSQWZCLWSS-KDYSTLNUSA-N 0 1 566.565 5.530 50 0 KKAAMN CCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(OCC)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000101105573 554639939 /nfs/dbraw/zinc/63/99/39/554639939.db2.gz GBNWYUGARAOTQC-FCEKVYKBSA-N 0 1 516.594 5.324 50 0 KKAAMN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OCC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000101105573 554639941 /nfs/dbraw/zinc/63/99/41/554639941.db2.gz GBNWYUGARAOTQC-FCEKVYKBSA-N 0 1 516.594 5.324 50 0 KKAAMN O=S(=O)(c1ccc(Cl)cc1)N(c1ccc(F)cc1)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000101118277 554643632 /nfs/dbraw/zinc/64/36/32/554643632.db2.gz KGNITBUQLMJIEX-UHFFFAOYSA-N 0 1 526.983 6.358 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000101150167 554657025 /nfs/dbraw/zinc/65/70/25/554657025.db2.gz FGOMSAZEUOUEFS-PFBJBMPXSA-N 0 1 504.558 5.454 50 0 KKAAMN Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccc(Cl)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000101159403 554659302 /nfs/dbraw/zinc/65/93/02/554659302.db2.gz KKVZHTKATBRBBD-WFPUBZAHSA-N 0 1 545.038 6.505 50 0 KKAAMN COc1cccc(C(O)=C2[C@@H](C(=O)c3ccccc3F)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000101177443 554665294 /nfs/dbraw/zinc/66/52/94/554665294.db2.gz ARHLRNPVGBBQBT-WFPUBZAHSA-N 0 1 544.582 5.690 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccc(F)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N32)c1 ZINC000101187207 554669607 /nfs/dbraw/zinc/66/96/07/554669607.db2.gz SDVTXTLGUFYSAS-WFPUBZAHSA-N 0 1 544.582 5.690 50 0 KKAAMN COc1ccccc1Nc1c2cc(NC(=O)c3cc(Br)ccc3Cl)ccc2nc2c1CCCC2 ZINC000101193549 554671477 /nfs/dbraw/zinc/67/14/77/554671477.db2.gz VSJQQJUMCWKJGE-UHFFFAOYSA-N 0 1 536.857 7.534 50 0 KKAAMN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCCN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000101216117 554682672 /nfs/dbraw/zinc/68/26/72/554682672.db2.gz AZIVGKYPGOXYBR-LJAQVGFWSA-N 0 1 621.804 5.099 50 0 KKAAMN COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCCN3CCN(c4cccc(Cl)c4)CC3)C2=S)cc1 ZINC000101216568 554683986 /nfs/dbraw/zinc/68/39/86/554683986.db2.gz DHIUETCIWRHBJC-MUUNZHRXSA-N 0 1 626.610 5.545 50 0 KKAAMN O=C(CCN1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000101341483 554735725 /nfs/dbraw/zinc/73/57/25/554735725.db2.gz JSKRKRYCNHXIAO-SANMLTNESA-N 0 1 582.550 5.065 50 0 KKAAMN O=C(c1ccco1)[C@H]1[C@@H](C(=O)c2cccs2)N2c3ccc(Cl)cc3C=C[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000101341960 554735859 /nfs/dbraw/zinc/73/58/59/554735859.db2.gz QOVJHQZGOYEURW-ANARSLNQSA-N 0 1 527.001 5.851 50 0 KKAAMN O=C(c1ccco1)C1[C@@H](C(=O)c2cccs2)N2c3ccc(Cl)cc3C=C[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000101341960 554735861 /nfs/dbraw/zinc/73/58/61/554735861.db2.gz QOVJHQZGOYEURW-ANARSLNQSA-N 0 1 527.001 5.851 50 0 KKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=C(C)c3cc(C)ccc3N12 ZINC000101342475 554735895 /nfs/dbraw/zinc/73/58/95/554735895.db2.gz BHAUNPDRZCCCNU-LSMVNSQTSA-N 0 1 531.439 6.254 50 0 KKAAMN COc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2SCC(=O)Nc2ccc3c(c2)OCCO3)cc1OC ZINC000101384539 554749041 /nfs/dbraw/zinc/74/90/41/554749041.db2.gz PMAYSGJMRBXSER-UHFFFAOYSA-N 0 1 538.025 5.916 50 0 KKAAMN COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000101386534 554752364 /nfs/dbraw/zinc/75/23/64/554752364.db2.gz BNLXGGRSRUPKRW-WVXBCFDCSA-N 0 1 518.569 6.930 50 0 KKAAMN COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000101386542 554752376 /nfs/dbraw/zinc/75/23/76/554752376.db2.gz BNLXGGRSRUPKRW-JHOBJCJYSA-N 0 1 518.569 6.930 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000101405947 554761797 /nfs/dbraw/zinc/76/17/97/554761797.db2.gz HDYKOMZZZKSPOY-MUVVOIGYSA-N 0 1 610.795 9.140 50 0 KKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@H]3c2ccc(F)cc2)cc1 ZINC000101408813 554763194 /nfs/dbraw/zinc/76/31/94/554763194.db2.gz VILIAEGDIILJJZ-DWXRJYCRSA-N 0 1 510.487 6.947 50 0 KKAAMN Cc1nn2c(nc(C)c(CCC(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)c2C)c1-c1ccc(F)cc1 ZINC000101418792 554766699 /nfs/dbraw/zinc/76/66/99/554766699.db2.gz GSFOGJRIWASFGJ-UHFFFAOYSA-N 0 1 563.121 5.375 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000101434465 554771860 /nfs/dbraw/zinc/77/18/60/554771860.db2.gz XPXZBFGIKFTXKC-GOXGLGGOSA-N 0 1 522.645 7.604 50 0 KKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1ccc(C(=O)OC)cc1 ZINC000101446642 554774002 /nfs/dbraw/zinc/77/40/02/554774002.db2.gz GHZRULBIJXTUMZ-NRUKRWIHSA-N 0 1 536.672 7.731 50 0 KKAAMN COc1cc([C@H]2C3C(=O)C[C@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)C2CC2)cc(OC)c1OC ZINC000101445839 554774033 /nfs/dbraw/zinc/77/40/33/554774033.db2.gz QFUKDADJYVPFSX-WRHNGFHOSA-N 0 1 514.578 6.266 50 0 KKAAMN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@H]3c2cccc(F)c2)cc1 ZINC000101449874 554775115 /nfs/dbraw/zinc/77/51/15/554775115.db2.gz DDHLRMZGZISLRC-GOXGLGGOSA-N 0 1 502.589 7.998 50 0 KKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@H]3c2cccc(F)c2)cc1 ZINC000101453512 554776066 /nfs/dbraw/zinc/77/60/66/554776066.db2.gz MKJQRDXJZARWAB-QNLPTKCRSA-N 0 1 518.588 7.698 50 0 KKAAMN O=C(Nc1ccc(Cl)c(Cl)c1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccc(F)c1 ZINC000101500070 554787822 /nfs/dbraw/zinc/78/78/22/554787822.db2.gz FJUHWHHYVCUXFY-ROTAYESASA-N 0 1 572.467 9.388 50 0 KKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccc(Cl)cc2)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101502492 554789056 /nfs/dbraw/zinc/78/90/56/554789056.db2.gz RPOLTNQYYAIFAE-HUBRWUETSA-N 0 1 625.121 8.238 50 0 KKAAMN Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)C[C@H]2C(=O)N(Cc3ccccc3)[C@H](C)c3nc4ccccc4n32)CC1 ZINC000101507847 554791569 /nfs/dbraw/zinc/79/15/69/554791569.db2.gz QGBFDVONOCOSPV-NJHZRGNWSA-N 0 1 599.179 5.361 50 0 KKAAMN 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 554795516 /nfs/dbraw/zinc/79/55/16/554795516.db2.gz KOCHPUKKFCJRIZ-GXIQWAOMSA-N 0 1 550.655 5.682 50 0 KKAAMN CN(Cc1cccs1)Cc1cc(-c2ccc3c(c2)OCO3)ccc1OCC(=O)N1CC=C(c2ccccc2)CC1 ZINC000101602819 554804529 /nfs/dbraw/zinc/80/45/29/554804529.db2.gz BRBBZXARKQYRNO-UHFFFAOYSA-N 0 1 552.696 6.471 50 0 KKAAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](c1ccc(Cl)cc1)[C@H](NS(=O)(=O)c1ccccc1C)C(=O)c1ccccc1 ZINC000101625376 554810955 /nfs/dbraw/zinc/81/09/55/554810955.db2.gz TXEXWYWPFBPOCF-IHLOFXLRSA-N 0 1 586.113 6.210 50 0 KKAAMN COc1ccc(Cc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)C4c2ccccc2OC)cc1OC ZINC000101673501 554827140 /nfs/dbraw/zinc/82/71/40/554827140.db2.gz YSYGXLVWLBIFIL-MUUNZHRXSA-N 0 1 560.614 5.521 50 0 KKAAMN COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000101736753 554833908 /nfs/dbraw/zinc/83/39/08/554833908.db2.gz QCBKONNTXDMMSS-NLGDKJDOSA-N 0 1 546.598 7.476 50 0 KKAAMN O=C(NCc1cccc(C(F)(F)F)c1)c1coc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000101827722 554841424 /nfs/dbraw/zinc/84/14/24/554841424.db2.gz ZJAZOIVCBNXIHV-UHFFFAOYSA-N 0 1 534.582 5.531 50 0 KKAAMN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)[C@@H]1c1cccs1 ZINC000101843189 554843048 /nfs/dbraw/zinc/84/30/48/554843048.db2.gz WQHUCHLZOUDQRA-VMPREFPWSA-N 0 1 548.728 5.152 50 0 KKAAMN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000101869344 554845431 /nfs/dbraw/zinc/84/54/31/554845431.db2.gz PFNHGSLWBQCDJH-XMMPIXPASA-N 0 1 545.753 5.465 50 0 KKAAMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 ZINC000101908406 554849159 /nfs/dbraw/zinc/84/91/59/554849159.db2.gz YLOOJOYPHQZSPL-UHFFFAOYSA-N 0 1 567.033 5.472 50 0 KKAAMN Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)CC1 ZINC000101978794 554863397 /nfs/dbraw/zinc/86/33/97/554863397.db2.gz RKNHBRWTSPBISK-IHLOFXLRSA-N 0 1 579.210 5.975 50 0 KKAAMN CC(C)c1ccc(CN2C[C@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000102016376 554867188 /nfs/dbraw/zinc/86/71/88/554867188.db2.gz SQCFJDWMTHFNNC-RNAHPLFWSA-N 0 1 557.739 5.909 50 0 KKAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1cc(Cl)ccc1OC)C(c1ccc(Br)cc1)=N2 ZINC000102244049 554903311 /nfs/dbraw/zinc/90/33/11/554903311.db2.gz WDYRHGNXOQBJJW-UHFFFAOYSA-N 0 1 549.922 5.496 50 0 KKAAMN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)ccc1Cl ZINC000102252021 554903987 /nfs/dbraw/zinc/90/39/87/554903987.db2.gz COMFUBCOBXCWCN-UHFFFAOYSA-N 0 1 590.938 5.730 50 0 KKAAMN COc1ccc(C2=NN(C(=O)CSc3nc(-c4ccc(Br)cc4)n[nH]3)[C@H](c3ccco3)C2)cc1 ZINC000102320734 554912168 /nfs/dbraw/zinc/91/21/68/554912168.db2.gz 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554991986 /nfs/dbraw/zinc/99/19/86/554991986.db2.gz WUKKQTATEQNZNF-GRMGDBHTSA-N 0 1 589.607 10.421 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(OCC)cc4)c(O)c3ON2c2ccccc2)cc1OC ZINC000102739862 555028663 /nfs/dbraw/zinc/02/86/63/555028663.db2.gz NVXWALLRGFWALS-JCYYIGJDSA-N 0 1 516.594 5.324 50 0 KKAAMN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OCC)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OC ZINC000102739862 555028667 /nfs/dbraw/zinc/02/86/67/555028667.db2.gz NVXWALLRGFWALS-JCYYIGJDSA-N 0 1 516.594 5.324 50 0 KKAAMN CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@@H]3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000102758016 555050333 /nfs/dbraw/zinc/05/03/33/555050333.db2.gz YEQKIUHBYOXGIP-JFHPUIQFSA-N 0 1 534.612 6.024 50 0 KKAAMN CCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(C(C)=O)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000102762946 555053256 /nfs/dbraw/zinc/05/32/56/555053256.db2.gz RAYJLBGXBQZTPU-JCYYIGJDSA-N 0 1 514.578 5.128 50 0 KKAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4C)c(O)c3ON2c2ccccc2)cc1Br ZINC000102765659 555054617 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ZINC000102849390 555084728 /nfs/dbraw/zinc/08/47/28/555084728.db2.gz NZOJQHDKNKEPRS-FQEVSTJZSA-N 0 1 595.632 6.801 50 0 KKAAMN Cc1ccc2c(c1)N(C(=O)c1cccs1)[C@@H](c1ccc(F)cc1)C1C(=O)C[C@H](c3ccccc3)CC1=N2 ZINC000102859500 555089806 /nfs/dbraw/zinc/08/98/06/555089806.db2.gz JBKXINNTTNTKBV-RCRUUEGKSA-N 0 1 508.618 8.060 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000102861529 555091520 /nfs/dbraw/zinc/09/15/20/555091520.db2.gz KHMAIUHYMAHJOF-XIFFEERXSA-N 0 1 522.689 8.638 50 0 KKAAMN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000102866350 555095463 /nfs/dbraw/zinc/09/54/63/555095463.db2.gz XDLGDMKLZCIDCX-NHKHRBQYSA-N 0 1 552.558 5.413 50 0 KKAAMN CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@H]1c1ccc(Cl)cc1Cl ZINC000102872702 555103238 /nfs/dbraw/zinc/10/32/38/555103238.db2.gz DXODVFBYVWZZRH-PRAQEBQASA-N 0 1 533.499 8.861 50 0 KKAAMN 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512.625 7.965 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000102884865 555114822 /nfs/dbraw/zinc/11/48/22/555114822.db2.gz MQTZMIAOJDTZAC-NHKHRBQYSA-N 0 1 585.454 6.088 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1OC ZINC000102886670 555117274 /nfs/dbraw/zinc/11/72/74/555117274.db2.gz CZOZDEUWDAJUED-WKLUVDBGSA-N 0 1 550.655 5.682 50 0 KKAAMN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000102887035 555117785 /nfs/dbraw/zinc/11/77/85/555117785.db2.gz FFRCNKAHTCNNMI-NLDZOOGBSA-N 0 1 552.558 5.413 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2C(=C(O)c3ccc4c(c3)OCO4)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000102887258 555118412 /nfs/dbraw/zinc/11/84/12/555118412.db2.gz BQTCEKOBHWDQGX-JMNGKNCGSA-N 0 1 582.656 6.278 50 0 KKAAMN CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccs3)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102889159 555123060 /nfs/dbraw/zinc/12/30/60/555123060.db2.gz YTUCUWNWMOXVHH-CUTZTJRCSA-N 0 1 572.730 7.255 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3cc(O)ccc3C)C2=O)c1 ZINC000102889137 555123085 /nfs/dbraw/zinc/12/30/85/555123085.db2.gz AFDAOVAADYAAAY-BWAHOGKJSA-N 0 1 555.612 5.150 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccccc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102889856 555124412 /nfs/dbraw/zinc/12/44/12/555124412.db2.gz APXNXQBKHBFFJU-JVNOLKNPSA-N 0 1 552.674 6.885 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 ZINC000102890509 555125797 /nfs/dbraw/zinc/12/57/97/555125797.db2.gz CGUYSYHDJNQRAM-FCEKVYKBSA-N 0 1 572.976 5.758 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 ZINC000102890513 555125889 /nfs/dbraw/zinc/12/58/89/555125889.db2.gz CGUYSYHDJNQRAM-IARZGTGTSA-N 0 1 572.976 5.758 50 0 KKAAMN CCCCCc1ccc(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccccc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102893093 555129790 /nfs/dbraw/zinc/12/97/90/555129790.db2.gz CMMYHEXUPJBYIO-JVNOLKNPSA-N 0 1 586.757 7.727 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(=C(O)c2ccc(Cl)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000102894836 555133240 /nfs/dbraw/zinc/13/32/40/555133240.db2.gz PJICONYPPBJKPV-KCIBBDPESA-N 0 1 565.094 6.956 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000102895101 555133815 /nfs/dbraw/zinc/13/38/15/555133815.db2.gz CNPGAFNPLJVXDW-KVOHOPFUSA-N 0 1 575.064 6.595 50 0 KKAAMN O=C(N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(F)cc1)C(F)(F)F ZINC000102928648 555154533 /nfs/dbraw/zinc/15/45/33/555154533.db2.gz PZTJSMSQYFTQJS-NSYGIPOTSA-N 0 1 514.906 7.592 50 0 KKAAMN COc1ccc(NS(=O)(=O)c2ccc(N3CCCC3)c(NS(=O)(=O)c3ccc4ccccc4c3)c2)cc1 ZINC000102972756 555182798 /nfs/dbraw/zinc/18/27/98/555182798.db2.gz SNWPCTSCHZGIRL-UHFFFAOYSA-N 0 1 537.663 5.050 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2)c1 ZINC000102974761 555184353 /nfs/dbraw/zinc/18/43/53/555184353.db2.gz DOBHDHKYBDYVNT-UHFFFAOYSA-N 0 1 625.707 5.107 50 0 KKAAMN COc1cc(-c2nn(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c(=S)o2)cc(OC)c1OC ZINC000102992011 555192882 /nfs/dbraw/zinc/19/28/82/555192882.db2.gz AIMFJRPCZDYAJX-UHFFFAOYSA-N 0 1 532.666 5.263 50 0 KKAAMN O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Br)cc2)c1)C(c1ccccc1)c1ccccc1 ZINC000102994320 555194549 /nfs/dbraw/zinc/19/45/49/555194549.db2.gz UWKANNICWCXLMR-UHFFFAOYSA-N 0 1 555.881 6.674 50 0 KKAAMN O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000103000694 555200537 /nfs/dbraw/zinc/20/05/37/555200537.db2.gz VJNBEINFWQLIPA-UHFFFAOYSA-N 0 1 568.504 5.221 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ccc(Cl)cc3)C2=O)c1 ZINC000103005006 555203296 /nfs/dbraw/zinc/20/32/96/555203296.db2.gz FNCQZSYGDLOMKI-BWAHOGKJSA-N 0 1 560.031 5.789 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ccccc3)C2=O)c1 ZINC000103005254 555203467 /nfs/dbraw/zinc/20/34/67/555203467.db2.gz GZUFJVCWDHVFMZ-PLRJNAJWSA-N 0 1 525.586 5.136 50 0 KKAAMN COc1ccccc1NC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(C(=O)NC2CCCCC2)c1 ZINC000103024179 555214623 /nfs/dbraw/zinc/21/46/23/555214623.db2.gz MTFDSBPTBYNWLX-UHFFFAOYSA-N 0 1 541.696 5.724 50 0 KKAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@@H](O)COCc1ccccc1 ZINC000103050376 555232779 /nfs/dbraw/zinc/23/27/79/555232779.db2.gz UTPIQTYFRDVFDJ-RUZDIDTESA-N 0 1 536.072 5.559 50 0 KKAAMN O=C(NCc1ccccc1F)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@H]12 ZINC000103052090 555234121 /nfs/dbraw/zinc/23/41/21/555234121.db2.gz CAUVRAMUISFTTM-JYFHCDHNSA-N 0 1 531.981 5.677 50 0 KKAAMN CCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000103064956 555245405 /nfs/dbraw/zinc/24/54/05/555245405.db2.gz VCQKEMVKMAUUQW-HKBQPEDESA-N 0 1 604.235 7.232 50 0 KKAAMN O=C(Nc1ccc(-n2[nH]c3c(c2=O)CN(C(=O)c2ccccc2)CC3)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000103108897 555284307 /nfs/dbraw/zinc/28/43/07/555284307.db2.gz PVLAUVGDKJTBSU-HXUWFJFHSA-N 0 1 522.392 5.502 50 0 KKAAMN Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](N5CCN([C@H]6CCc7ccccc7C6)CC5)C4=O)cc3)sc2c1 ZINC000103129279 555297751 /nfs/dbraw/zinc/29/77/51/555297751.db2.gz DCQOJPJDONNMCF-XCZPVHLTSA-N 0 1 536.701 5.079 50 0 KKAAMN Cc1cccc([C@@H]2c3cc(OCc4ccc(C(=O)NCCN5CCCC5)o4)ccc3CCN2C(=O)C2CCCC2)c1 ZINC000103159855 555320493 /nfs/dbraw/zinc/32/04/93/555320493.db2.gz SQRFXBBXRXSSEP-JGCGQSQUSA-N 0 1 555.719 5.657 50 0 KKAAMN Nc1c2c(nn1-c1ccc(Cl)c(Cl)c1)nc(N1CCN(Cc3ccccc3)CC1)nc2-c1ccccc1F ZINC000103234950 555341935 /nfs/dbraw/zinc/34/19/35/555341935.db2.gz DJMVKFHZZNAQKJ-UHFFFAOYSA-N 0 1 548.453 5.833 50 0 KKAAMN CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1CN(C[C@H](O)COCc1ccccc1)CC1CC1 ZINC000103324857 555359053 /nfs/dbraw/zinc/35/90/53/555359053.db2.gz BKYXYVIMEMFLPF-NDEPHWFRSA-N 0 1 541.692 6.025 50 0 KKAAMN CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1CN(C[C@@H](O)COCc1ccccc1)CC1CC1 ZINC000103324862 555359072 /nfs/dbraw/zinc/35/90/72/555359072.db2.gz BKYXYVIMEMFLPF-MUUNZHRXSA-N 0 1 541.692 6.025 50 0 KKAAMN CC(C)c1ccc(NC(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000103363061 555365307 /nfs/dbraw/zinc/36/53/07/555365307.db2.gz FCXWUYCGGPJHNB-RCRUUEGKSA-N 0 1 548.728 6.113 50 0 KKAAMN CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CCN(Cc3ccccc3)C[C@H]12 ZINC000103405415 555391706 /nfs/dbraw/zinc/39/17/06/555391706.db2.gz SAVSFDPMZIGHSU-XCZPVHLTSA-N 0 1 515.455 5.105 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3cccc(OC)c3)N3c4ccccc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000103519256 555424880 /nfs/dbraw/zinc/42/48/80/555424880.db2.gz ZTYDDRLGGLFHNO-FJLMOIIKSA-N 0 1 570.645 5.950 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3cccc(OC)c3)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000103519253 555424940 /nfs/dbraw/zinc/42/49/40/555424940.db2.gz ZTYDDRLGGLFHNO-NLVFCZGTSA-N 0 1 570.645 5.950 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1OC ZINC000103544043 555439785 /nfs/dbraw/zinc/43/97/85/555439785.db2.gz XKCBLYFUOBLWCL-IEMSDXTESA-N 0 1 556.618 5.560 50 0 KKAAMN Cc1ccc2c(c1)[C@]1(C(=O)N2)N2CCC[C@@H]2[C@H](C(=O)c2ccc3ccccc3c2)[C@]12c1ccccc1NC2=O ZINC000252383349 562881719 /nfs/dbraw/zinc/88/17/19/562881719.db2.gz LMNHSJQJTVBJIC-ZLROPWDRSA-N 0 1 513.597 5.163 50 0 KKAAMN COc1ccc(C(O)=C2[C@@H](C(=O)C(C)(C)C)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000101001908 571361211 /nfs/dbraw/zinc/36/12/11/571361211.db2.gz OTNBBUSVSKOYAD-CKHSQSCFSA-N 0 1 506.602 5.409 50 0 KKAAMN CN1CC2=C(N=C3SC=C(c4ccc(Cl)cc4)N3[C@@H]2c2ccc(OC(F)F)cc2)/C(=C/c2ccc(OC(F)F)cc2)C1 ZINC000104005530 571371041 /nfs/dbraw/zinc/37/10/41/571371041.db2.gz MBERVRUVKNXIOP-GHMVGRGESA-N 0 1 614.064 8.284 50 0 KKAAMN COc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000104150297 571375495 /nfs/dbraw/zinc/37/54/95/571375495.db2.gz QZANSCYTWATPGA-MHZLTWQESA-N 0 1 536.459 8.500 50 0 KKAAMN O[C@@H](COCc1ccco1)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104984924 571388702 /nfs/dbraw/zinc/38/87/02/571388702.db2.gz UNHRXELDSPPWLW-IFMALSPDSA-N 0 1 523.844 5.813 50 0 KKAAMN COc1cccc(Oc2c(CN(C[C@H](O)COC(C)(C)C)C[C@H]3CCCO3)c(-c3ccccc3)nn2C)c1 ZINC000105003662 571389079 /nfs/dbraw/zinc/38/90/79/571389079.db2.gz HTKFHQOSJUXRMI-JYFHCDHNSA-N 0 1 523.674 5.045 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000105795735 571408660 /nfs/dbraw/zinc/40/86/60/571408660.db2.gz SHTPDBKUWALGMG-ZONZVBGPSA-N 0 1 565.464 6.078 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3ccc(C)cc3)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000105795671 571408726 /nfs/dbraw/zinc/40/87/26/571408726.db2.gz LDAYFPOFXXVTBH-JVNOLKNPSA-N 0 1 568.673 6.558 50 0 KKAAMN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000106018357 571410537 /nfs/dbraw/zinc/41/05/37/571410537.db2.gz FFRCNKAHTCNNMI-MPFGFTFXSA-N 0 1 552.558 5.413 50 0 KKAAMN O=C(c1ccccc1F)[C@@H]1C(=C(O)c2ccc(F)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000106536195 571412941 /nfs/dbraw/zinc/41/29/41/571412941.db2.gz MIISEJWQKNWLNG-YGGCMVMVSA-N 0 1 532.546 5.821 50 0 KKAAMN COC(=O)c1[nH]c(Br)c2cc(NC(=O)CN3CCN(C4c5ccccc5-c5ccccc54)CC3)ccc21 ZINC000108802587 571426638 /nfs/dbraw/zinc/42/66/38/571426638.db2.gz YTDQLKOGGFXBFJ-UHFFFAOYSA-N 0 1 559.464 5.043 50 0 KKAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4C)c(O)c3ON2c2ccccc2)cc1Br ZINC000137493448 571450342 /nfs/dbraw/zinc/45/03/42/571450342.db2.gz VOGICXLSCLNYCX-RBZQAINGSA-N 0 1 507.384 5.126 50 0 KKAAMN Cc1c(Cl)cccc1-n1c(O)c2c(c1O)[C@H](c1cc3ccccc3nc1Cl)N(c1ccccc1)O2 ZINC000138589587 571451523 /nfs/dbraw/zinc/45/15/23/571451523.db2.gz XECHRCZXJANQFM-KMDXXIMOSA-N 0 1 504.373 5.901 50 0 KKAAMN COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1[NH2+][C@H](CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)[C@@H]1c1cccc(Cl)c1F ZINC000147773698 571456900 /nfs/dbraw/zinc/45/69/00/571456900.db2.gz TVTXCJFHQKSQQM-AROPSWPZSA-N 0 1 616.492 6.939 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C)cc3)C2)[C@H]1c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000150347282 571460820 /nfs/dbraw/zinc/46/08/20/571460820.db2.gz LLOFYJSPZHLKPU-WXWXLQMXSA-N 0 1 663.258 10.757 50 0 KKAAMN CCCCCCOc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)c(C)c4)c(C(F)(F)F)oc3c2CN(CCC)CCC)cc1 ZINC000150388840 571471237 /nfs/dbraw/zinc/47/12/37/571471237.db2.gz FOABMJIKKLYXCD-UHFFFAOYSA-N 0 1 688.183 10.366 50 0 KKAAMN CCOc1ccc(NC(=O)CSc2nc3cc(Oc4ccc5nc(SCC(=O)Nc6ccc(OCC)cc6)[nH]c5c4)ccc3[nH]2)cc1 ZINC000150390588 571472809 /nfs/dbraw/zinc/47/28/09/571472809.db2.gz QZYASRIIEZORLC-UHFFFAOYSA-N 0 1 668.801 7.491 50 0 KKAAMN CSc1cccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCCN3CCN(c4cccc(Cl)c4)CC3)C2=S)c1 ZINC000150396252 571476370 /nfs/dbraw/zinc/47/63/70/571476370.db2.gz FQCVUSOATGFSAW-MUUNZHRXSA-N 0 1 642.678 6.259 50 0 KKAAMN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCCN3CCN(c4cccc(Cl)c4)CC3)C2=S)cc1 ZINC000150396361 571476529 /nfs/dbraw/zinc/47/65/29/571476529.db2.gz SVMLZBZSLSVACA-GDLZYMKVSA-N 0 1 668.647 5.713 50 0 KKAAMN COc1ccc(Br)cc1[C@H]1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)C(=O)N1c1ccc(C)c(F)c1 ZINC000150403257 571478693 /nfs/dbraw/zinc/47/86/93/571478693.db2.gz AEAJKSZKWQAAGI-FCHUYYIVSA-N 0 1 647.111 7.272 50 0 KKAAMN COc1ccc(Br)cc1[C@@H]1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)C(=O)N1c1ccc(Br)c(C)c1 ZINC000150403353 571478698 /nfs/dbraw/zinc/47/86/98/571478698.db2.gz OVCHECSQFKKQOO-FGZHOGPDSA-N 0 1 708.017 7.895 50 0 KKAAMN COc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(F)c2)cc1Br ZINC000150403366 571478777 /nfs/dbraw/zinc/47/87/77/571478777.db2.gz LFWKUIRPCGFQQL-FGZHOGPDSA-N 0 1 647.111 7.272 50 0 KKAAMN CCOc1cc([C@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OCc1ccc(Cl)cc1 ZINC000150406115 571479693 /nfs/dbraw/zinc/47/96/93/571479693.db2.gz ZOFXCIBNFYUHKT-NJWQRWAZSA-N 0 1 775.298 10.216 50 0 KKAAMN Fc1nc(N2CCOCC2)c(F)c(Oc2cc(Br)c(Br)cc2OCCCCN2CCOCC2)c1Cl ZINC000150408573 571480838 /nfs/dbraw/zinc/48/08/38/571480838.db2.gz SFBMVMGPNJMXJV-UHFFFAOYSA-N 0 1 641.735 5.658 50 0 KKAAMN O=C1C(=Nc2ccc(I)cc2)C[C@@H](c2cccc3ccccc32)N1c1ccc(I)cc1 ZINC000150408700 571481019 /nfs/dbraw/zinc/48/10/19/571481019.db2.gz PNUICNOQQXPKOP-VWLOTQADSA-N 0 1 628.251 7.133 50 0 KKAAMN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCCN3CCN(Cc4ccccc4)CC3)C2=S)cc1 ZINC000150414260 571484982 /nfs/dbraw/zinc/48/49/82/571484982.db2.gz WAOFNTRPZKUUCW-SSEXGKCCSA-N 0 1 648.229 5.056 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCCN2CCN(c3ccccc3)CC2)cc1 ZINC000150414588 571485094 /nfs/dbraw/zinc/48/50/94/571485094.db2.gz IJQMRYIFOLIOHA-PMERELPUSA-N 0 1 650.245 5.681 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCCN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000150414340 571485100 /nfs/dbraw/zinc/48/51/00/571485100.db2.gz XZOXWMKYKSGKLR-JGCGQSQUSA-N 0 1 675.827 5.334 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCCN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000150418534 571486706 /nfs/dbraw/zinc/48/67/06/571486706.db2.gz NKIDNVYHGUHMFW-HKBQPEDESA-N 0 1 649.858 5.880 50 0 KKAAMN CCOc1cc([C@@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000150419682 571487081 /nfs/dbraw/zinc/48/70/81/571487081.db2.gz SIIKAVVURVKLAN-WXWXLQMXSA-N 0 1 685.220 10.190 50 0 KKAAMN O=C(OC(c1ccccc1)c1ccccc1)[C@H]1[C@@H](C(=O)c2ccc3c(c2)OCO3)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000150426577 571490937 /nfs/dbraw/zinc/49/09/37/571490937.db2.gz XDROSPZFMAZBPF-IBHRRMRLSA-N 0 1 646.699 6.721 50 0 KKAAMN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000150429421 571492744 /nfs/dbraw/zinc/49/27/44/571492744.db2.gz APVMKVHUFSDOSA-NMRUTFGKSA-N 0 1 650.728 7.602 50 0 KKAAMN COc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cc(Cl)cc(Cl)c2)cc1OC ZINC000150430957 571493285 /nfs/dbraw/zinc/49/32/85/571493285.db2.gz WQMHETOZWHNHBF-FGZHOGPDSA-N 0 1 635.114 7.377 50 0 KKAAMN COc1ccc2nc(SCC(=O)N3c4ccccc4N=C4C[C@@H](c5ccc(F)cc5)CC(=O)C4[C@H]3c3cccc(OC)c3)[nH]c2c1 ZINC000150437178 571496549 /nfs/dbraw/zinc/49/65/49/571496549.db2.gz ZAVCICCRLWJHHX-JEHQLEFQSA-N 0 1 634.733 8.062 50 0 KKAAMN COc1cc([C@@H]2C3=C(C[C@H](c4cccc(F)c4)CC3=O)Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000150439936 571497704 /nfs/dbraw/zinc/49/77/04/571497704.db2.gz BGYCHNWMNWNDNR-NLINSNCNSA-N 0 1 662.545 9.414 50 0 KKAAMN COc1cc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Cl)cc2)cc(OC)c1OC ZINC000150440294 571497850 /nfs/dbraw/zinc/49/78/50/571497850.db2.gz NRGIENJQXHWYGS-FCHUYYIVSA-N 0 1 630.695 6.732 50 0 KKAAMN COc1cc(OC)c(-c2nc(-c3ccccc3)c(-c3ccc4oc5ccc(-c6nc(-c7cc(OC)c(OC)cc7OC)[nH]c6-c6ccccc6)cc5c4c3)[nH]2)cc1OC ZINC000150445942 571500879 /nfs/dbraw/zinc/50/08/79/571500879.db2.gz UKPWDWGFPGJPHN-UHFFFAOYSA-N 0 1 784.869 11.086 50 0 KKAAMN COc1cc(OC)c(-c2nc(-c3ccc4oc5ccc(-c6nc(-c7cc(OC)c(OC)cc7OC)[nH]c6-c6ccccc6)cc5c4c3)c(-c3ccccc3)[nH]2)cc1OC ZINC000150445942 571500882 /nfs/dbraw/zinc/50/08/82/571500882.db2.gz UKPWDWGFPGJPHN-UHFFFAOYSA-N 0 1 784.869 11.086 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2)cc1 ZINC000150447364 571501304 /nfs/dbraw/zinc/50/13/04/571501304.db2.gz RRIFKSJFTOHTGS-UHFFFAOYSA-N 0 1 682.180 5.000 50 0 KKAAMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccccc3OCC(=O)Nc3ccc(Br)cc3)ccc2Cl)cc1 ZINC000150448927 571501834 /nfs/dbraw/zinc/50/18/34/571501834.db2.gz LKMYMRUZKXMTLD-UHFFFAOYSA-N 0 1 658.958 6.572 50 0 KKAAMN COc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2ccc3c(c2)OCO3)cc1Cl ZINC000150451626 571502965 /nfs/dbraw/zinc/50/29/65/571502965.db2.gz WIELUBOWBSPHDS-YADHBBJMSA-N 0 1 614.652 6.444 50 0 KKAAMN O=C(c1ccc(-c2nc(-c3cccc(Br)c3)[nH]c2-c2ccc(Br)cc2)cc1)c1ccc(-c2[nH]c(-c3cccc(Br)c3)nc2-c2ccc(F)cc2)cc1 ZINC000150452062 571503203 /nfs/dbraw/zinc/50/32/03/571503203.db2.gz LMNMFLWICOLPTP-UHFFFAOYSA-N 0 1 873.418 12.792 50 0 KKAAMN O=C(c1ccc(-c2nc(-c3cccc(Br)c3)[nH]c2-c2ccc(F)cc2)cc1)c1ccc(-c2[nH]c(-c3cccc(Br)c3)nc2-c2ccc(Br)cc2)cc1 ZINC000150452062 571503204 /nfs/dbraw/zinc/50/32/04/571503204.db2.gz LMNMFLWICOLPTP-UHFFFAOYSA-N 0 1 873.418 12.792 50 0 KKAAMN O=C(c1ccc(-c2nc(-c3cccc(Br)c3)[nH]c2-c2ccc(F)cc2)cc1)c1ccc(-c2nc(-c3cccc(Br)c3)[nH]c2-c2ccc(Br)cc2)cc1 ZINC000150452062 571503205 /nfs/dbraw/zinc/50/32/05/571503205.db2.gz LMNMFLWICOLPTP-UHFFFAOYSA-N 0 1 873.418 12.792 50 0 KKAAMN COc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCc4ccccc43)c2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000150452390 571503239 /nfs/dbraw/zinc/50/32/39/571503239.db2.gz SYLNLBIJPHSHHL-UHFFFAOYSA-N 0 1 642.155 5.552 50 0 KKAAMN COc1ccc(Br)cc1[C@@H]1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)C(=O)N1c1ccc(C)c(Cl)c1 ZINC000150453566 571503580 /nfs/dbraw/zinc/50/35/80/571503580.db2.gz ANGSSQIWVFSGMI-YADHBBJMSA-N 0 1 663.566 7.786 50 0 KKAAMN CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(OC)c(S(=O)(=O)Nc3ccc(OC)c(Br)c3)c2)ccc1C ZINC000150453639 571503745 /nfs/dbraw/zinc/50/37/45/571503745.db2.gz HHICFZWKIOCNTR-UHFFFAOYSA-N 0 1 688.622 6.043 50 0 KKAAMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(C)c(S(=O)(=O)N4CCCCC4)c3)ccc2Cl)cc1Br ZINC000150453690 571503802 /nfs/dbraw/zinc/50/38/02/571503802.db2.gz CVAJNKKTPGDEIK-UHFFFAOYSA-N 0 1 671.035 6.037 50 0 KKAAMN COc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000150455823 571504631 /nfs/dbraw/zinc/50/46/31/571504631.db2.gz KSQHMVYRWAFEBR-PKTZIBPZSA-N 0 1 626.276 6.087 50 0 KKAAMN COc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Sc3ccc(Cl)cc3)cc2OC)cc(OC)c1 ZINC000170626717 571563074 /nfs/dbraw/zinc/56/30/74/571563074.db2.gz HVBWODBGPCJRQR-HNNXBMFYSA-N 0 1 537.059 5.286 50 0 KKAAMN O=C(CCNC(c1ccccc1)(c1ccccc1)c1ccccc1)OC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000198757994 571569036 /nfs/dbraw/zinc/56/90/36/571569036.db2.gz JXTUQQVUJURKOB-UHFFFAOYSA-N 0 1 573.736 8.494 50 0 KKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1O[C@@H](C)CC ZINC000225954148 572087171 /nfs/dbraw/zinc/08/71/71/572087171.db2.gz GFYWSKZRDYFRCN-ACTILHGESA-N 0 1 554.687 7.841 50 0 biogenic KKAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2ccc(OC)c(OCc3ccc(C(C)C)cc3)c2)cc1OC ZINC000263585853 572120320 /nfs/dbraw/zinc/12/03/20/572120320.db2.gz NGBFOGLPYNZHJF-RUZDIDTESA-N 0 1 622.670 7.335 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)Nc3ccc4nc(C)[nH]c4c3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263586754 572124784 /nfs/dbraw/zinc/12/47/84/572124784.db2.gz XPRQINNUXKBVMF-DLLPINGYSA-N 0 1 613.715 5.123 50 0 KKAAMN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(CC)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC ZINC000226813824 572142081 /nfs/dbraw/zinc/14/20/81/572142081.db2.gz YCFGIEJBOWXYAF-ZGIBFIJWSA-N 0 1 514.622 5.878 50 0 KKAAMN COc1ccc([C@@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccccc2)cc1Br ZINC000226823215 572142835 /nfs/dbraw/zinc/14/28/35/572142835.db2.gz TWXMRUSISZIMHZ-BHDDXSALSA-N 0 1 513.775 5.162 50 0 KKAAMN O=C(c1cccs1)[C@@H]1C(=C(O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000226922076 572145492 /nfs/dbraw/zinc/14/54/92/572145492.db2.gz MBAMLEPQTJUKSS-ALBQUZEBSA-N 0 1 502.595 5.604 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000227230404 572150839 /nfs/dbraw/zinc/15/08/39/572150839.db2.gz QBRYVBBYJJPODK-ZGIBFIJWSA-N 0 1 664.350 6.850 50 0 KKAAMN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000227230278 572150965 /nfs/dbraw/zinc/15/09/65/572150965.db2.gz FFRCNKAHTCNNMI-ZGIBFIJWSA-N 0 1 552.558 5.413 50 0 KKAAMN CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccs3)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227234122 572151612 /nfs/dbraw/zinc/15/16/12/572151612.db2.gz YTUCUWNWMOXVHH-NLVFCZGTSA-N 0 1 572.730 7.255 50 0 KKAAMN CC(C)Cc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3Cl)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227233616 572151719 /nfs/dbraw/zinc/15/17/19/572151719.db2.gz YBGXFHSCFMYWJF-CSSWAUQYSA-N 0 1 587.119 7.395 50 0 KKAAMN CCCCCc1ccc(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227241055 572152200 /nfs/dbraw/zinc/15/22/00/572152200.db2.gz JBAPVEUVVINPCP-NLVFCZGTSA-N 0 1 572.730 7.337 50 0 KKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(C)ccc3N12 ZINC000229620643 572157103 /nfs/dbraw/zinc/15/71/03/572157103.db2.gz GKISSFMKIWYFDS-OSSDZZHWSA-N 0 1 517.412 5.864 50 0 KKAAMN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21C(=C(O)c2ccc(Br)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2CCCN21 ZINC000229623648 572157858 /nfs/dbraw/zinc/15/78/58/572157858.db2.gz ZUEMIEDFYRIAHR-CRKZPIATSA-N 0 1 576.878 5.426 50 0 KKAAMN CCCCCc1ccc(C(O)=C2[C@H](C(=O)c3ccc(Br)cc3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229857757 572161569 /nfs/dbraw/zinc/16/15/69/572161569.db2.gz GROBDPSPNRPTTD-VIJPYWPYSA-N 0 1 645.597 8.038 50 0 KKAAMN CCCCCc1ccc(C(O)=C2[C@H](C(=O)c3ccc(Br)cc3)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229868605 572163289 /nfs/dbraw/zinc/16/32/89/572163289.db2.gz GROBDPSPNRPTTD-OHVVKICRSA-N 0 1 645.597 8.038 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2C(=C(O)c3ccc(Cl)cc3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N23)cc1 ZINC000229892498 572166116 /nfs/dbraw/zinc/16/61/16/572166116.db2.gz WTVQPCPUGQEZOF-BSYZOHBLSA-N 0 1 573.092 7.203 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccc4c(c3)OCO4)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4ccccc4N32)c1 ZINC000229895626 572166488 /nfs/dbraw/zinc/16/64/88/572166488.db2.gz GMPLVWGCLIWWDZ-BSYZOHBLSA-N 0 1 584.628 5.670 50 0 KKAAMN Cc1ccc(C(O)=C2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccc(C)cc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229901777 572167944 /nfs/dbraw/zinc/16/79/44/572167944.db2.gz IZNQXJDTNLMEAP-KVOHOPFUSA-N 0 1 559.065 6.813 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccc(C)cc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229914685 572169008 /nfs/dbraw/zinc/16/90/08/572169008.db2.gz QXMRFAOQGSOMCQ-KVOHOPFUSA-N 0 1 575.064 6.513 50 0 KKAAMN CCCCCc1ccc(C(O)=C2[C@H](C(=O)c3ccc(OC(C)=O)cc3)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229941994 572172290 /nfs/dbraw/zinc/17/22/90/572172290.db2.gz ODLMDFGRYDHVQJ-HIOMMUOGSA-N 0 1 624.737 7.201 50 0 KKAAMN 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 572173174 /nfs/dbraw/zinc/17/31/74/572173174.db2.gz NGPGDNUELGEEOY-HMYMNELBSA-N 0 1 550.655 5.601 50 0 KKAAMN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(=C(O)c2ccccc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000229977219 572175996 /nfs/dbraw/zinc/17/59/96/572175996.db2.gz RPAOVPSORWAUDF-GZNUUUAQSA-N 0 1 525.048 6.237 50 0 KKAAMN O=C(Nc1ccccc1)[C@@H]1[C@H](C(=O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000229980317 572176497 /nfs/dbraw/zinc/17/64/97/572176497.db2.gz NDHJEWNVIZTEAB-KCIBBDPESA-N 0 1 529.571 5.438 50 0 KKAAMN CC(C)(C)C(=O)[C@@H]1C(=C(O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000229991307 572177027 /nfs/dbraw/zinc/17/70/27/572177027.db2.gz AZKFRKYWHBXYFA-GURVGDRESA-N 0 1 545.466 6.582 50 0 KKAAMN Cc1ccc(C(O)=C2[C@@H](C(=O)c3cccs3)N3c4ccc(C)cc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000230005490 572177838 /nfs/dbraw/zinc/17/78/38/572177838.db2.gz GXTWKOGLUZIUQJ-CTMYTVLESA-N 0 1 544.676 6.611 50 0 KKAAMN CCCCN(CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1)Cc1ccco1 ZINC000230077514 572182841 /nfs/dbraw/zinc/18/28/41/572182841.db2.gz WFEMJSZDVAMTCD-IZLXSDGUSA-N 0 1 519.711 5.983 50 0 KKAAMN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(=C(O)c2ccccc2F)[C@]12C(=O)Nc1ccccc12 ZINC000230090587 572183252 /nfs/dbraw/zinc/18/32/52/572183252.db2.gz YBBWWYMELMAGHI-GZNUUUAQSA-N 0 1 508.593 5.723 50 0 KKAAMN COc1cccc(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000230188997 572184972 /nfs/dbraw/zinc/18/49/72/572184972.db2.gz XRENAJQEJDRCEY-NAQGONTDSA-N 0 1 532.621 5.613 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(=C(O)c1ccccc1Cl)[C@@]21C(=O)Nc2ccccc21 ZINC000230189092 572185094 /nfs/dbraw/zinc/18/50/94/572185094.db2.gz WRHSBJXEQMDBBO-UCDUTVGFSA-N 0 1 525.048 6.319 50 0 KKAAMN COc1ccc([C@@H]2N(c3ccccc3)O[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@]32c2ccccc2)cc1 ZINC000239302808 572193347 /nfs/dbraw/zinc/19/33/47/572193347.db2.gz FNZXIFBKXLEKKS-FEVNIDIWSA-N 0 1 510.977 5.722 50 0 KKAAMN COc1ccc([C@@H]2N(c3ccccc3)OC3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@]32c2ccccc2)cc1 ZINC000239302808 572193348 /nfs/dbraw/zinc/19/33/48/572193348.db2.gz FNZXIFBKXLEKKS-FEVNIDIWSA-N 0 1 510.977 5.722 50 0 KKAAMN O=C1[C@@H]2[C@H](C(=O)N1c1cccc(Cl)c1)[C@H](Cc1ccccc1)N[C@]21c2ccccc2N(Cc2ccccc2)C1=O ZINC000245238439 572211865 /nfs/dbraw/zinc/21/18/65/572211865.db2.gz OUNJCHWZWVJYTM-MKJAEOQWSA-N 0 1 548.042 5.102 50 0 KKAAMN O=C(c1cccs1)[C@@H]1C(=C(O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000245240276 572213788 /nfs/dbraw/zinc/21/37/88/572213788.db2.gz PIVQSAQTISNSTM-MFUXGYHDSA-N 0 1 537.040 6.258 50 0 KKAAMN CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245245151 572216930 /nfs/dbraw/zinc/21/69/30/572216930.db2.gz AKQDAIATEXOWTH-BCHNEZAYSA-N 0 1 567.129 7.271 50 0 KKAAMN CCCCCc1ccc(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccccc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245245240 572217476 /nfs/dbraw/zinc/21/74/76/572217476.db2.gz CMMYHEXUPJBYIO-DQGIEBHESA-N 0 1 586.757 7.727 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c1ccc(Br)cc1)[C@]21C(=O)Nc2ccccc21 ZINC000245245663 572217689 /nfs/dbraw/zinc/21/76/89/572217689.db2.gz FSIUZZMJEWPRPO-GZNUUUAQSA-N 0 1 569.499 6.428 50 0 KKAAMN Cc1ccc(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245246481 572219302 /nfs/dbraw/zinc/21/93/02/572219302.db2.gz MRBCRXCYBAFLPE-PJGOFDOSSA-N 0 1 551.067 6.566 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3Cl)N3c4ccccc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245246404 572219375 /nfs/dbraw/zinc/21/93/75/572219375.db2.gz KRAWAVSRNVXMPA-GSFCIGPDSA-N 0 1 573.092 7.149 50 0 KKAAMN 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 572219801 /nfs/dbraw/zinc/21/98/01/572219801.db2.gz NTYZTCUSRHTOFQ-ZQOCDUSVSA-N 0 1 571.073 5.946 50 0 KKAAMN COc1ccc(OC)c(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000245246493 572219966 /nfs/dbraw/zinc/21/99/66/572219966.db2.gz MUNOBNJSMWTBIM-BCHNEZAYSA-N 0 1 564.682 5.991 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccc(C)cc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245247170 572220361 /nfs/dbraw/zinc/22/03/61/572220361.db2.gz QXMRFAOQGSOMCQ-ZPNDBRHUSA-N 0 1 575.064 6.513 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccc(Cl)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000245247218 572220859 /nfs/dbraw/zinc/22/08/59/572220859.db2.gz SABPLPPUZHYNMI-DDWAFBAVSA-N 0 1 559.065 6.895 50 0 KKAAMN CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccs3)N3c4ccc(C)cc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245247905 572221241 /nfs/dbraw/zinc/22/12/41/572221241.db2.gz YTUCUWNWMOXVHH-GSFCIGPDSA-N 0 1 572.730 7.255 50 0 KKAAMN Cc1cccc(NC(=O)[C@@H](CN(Cc2ccc3c(c2)OCO3)C[C@H]2CCCO2)Oc2cccc(C)c2)c1 ZINC000245280447 572224533 /nfs/dbraw/zinc/22/45/33/572224533.db2.gz QMTCUQUMPWAUCA-GGXMVOPNSA-N 0 1 502.611 5.099 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1Cl)C(C(=O)c1ccco1)[C@]21C(=O)Nc2ccccc21 ZINC000245309474 572227602 /nfs/dbraw/zinc/22/76/02/572227602.db2.gz DLYNJURBUZENLF-CKXMCULTSA-N 0 1 534.999 6.179 50 0 KKAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000245343378 572238562 /nfs/dbraw/zinc/23/85/62/572238562.db2.gz NDXPHCQJFPTDEB-QMFGGXMDSA-N 0 1 527.734 5.257 50 0 KKAAMN O=C(NCCc1ccc(Cl)cc1)[C@H]1CCCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247489001 572242458 /nfs/dbraw/zinc/24/24/58/572242458.db2.gz LSHYSZGKDSNJPX-QHCPKHFHSA-N 0 1 521.492 5.962 50 0 KKAAMN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247467797 572242518 /nfs/dbraw/zinc/24/25/18/572242518.db2.gz DCZVUUBAPVJPPK-QGZVFWFLSA-N 0 1 558.307 6.946 50 0 KKAAMN O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)C1 ZINC000247740881 572244141 /nfs/dbraw/zinc/24/41/41/572244141.db2.gz NTAHKXJNUHUBDJ-VWLOTQADSA-N 0 1 534.635 6.594 50 0 KKAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2ccccc2)CC1 ZINC000247841017 572246113 /nfs/dbraw/zinc/24/61/13/572246113.db2.gz FLUYFQCDVMSAFA-HSZRJFAPSA-N 0 1 558.524 5.349 50 0 KKAAMN COc1ccc(Cn2c(CN3CCC[C@@H](C(=O)N4CCN(c5cc(C)ccc5C)CC4)C3)nc3ccccc32)cc1 ZINC000247864939 572246784 /nfs/dbraw/zinc/24/67/84/572246784.db2.gz IEMRVUHGKNSWMP-MUUNZHRXSA-N 0 1 551.735 5.271 50 0 KKAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000247868532 572247145 /nfs/dbraw/zinc/24/71/45/572247145.db2.gz PTIBIMXEMKNYEZ-QHCPKHFHSA-N 0 1 596.990 6.606 50 0 KKAAMN COc1ccc(Cn2c(CN3CCC[C@H](C(=O)N4CCN(c5cccc(Cl)c5)CC4)C3)nc3ccccc32)cc1 ZINC000247871476 572247174 /nfs/dbraw/zinc/24/71/74/572247174.db2.gz DNEXBIXDLRPVID-VWLOTQADSA-N 0 1 558.126 5.307 50 0 KKAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000247873210 572247454 /nfs/dbraw/zinc/24/74/54/572247454.db2.gz RUSNWBKXAORXGO-QFIPXVFZSA-N 0 1 576.514 5.488 50 0 KKAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000247881144 572247950 /nfs/dbraw/zinc/24/79/50/572247950.db2.gz VOISHMBYMGGCSQ-OAQYLSRUSA-N 0 1 627.414 6.656 50 0 KKAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2ccccc2Cl)CC1 ZINC000247886284 572248373 /nfs/dbraw/zinc/24/83/73/572248373.db2.gz XEODKSKSGLSJND-QFIPXVFZSA-N 0 1 592.969 6.002 50 0 KKAAMN O=C(c1ccccc1Cl)N1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000247939354 572249929 /nfs/dbraw/zinc/24/99/29/572249929.db2.gz OYDGXEWGGXGYOI-QFIPXVFZSA-N 0 1 620.979 5.638 50 0 KKAAMN Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1 ZINC000247992676 572251663 /nfs/dbraw/zinc/25/16/63/572251663.db2.gz NJPXBWJLONIXDD-HXUWFJFHSA-N 0 1 503.444 5.947 50 0 KKAAMN Cc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000248072451 572253104 /nfs/dbraw/zinc/25/31/04/572253104.db2.gz AHHREJGMAWSHLI-XMMPIXPASA-N 0 1 572.551 5.657 50 0 KKAAMN Cc1ccc(CNC(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1 ZINC000248086072 572253257 /nfs/dbraw/zinc/25/32/57/572253257.db2.gz KEFBMZZMVLUURB-QFIPXVFZSA-N 0 1 517.471 5.625 50 0 KKAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCN(C(=O)c2ccc3ccccc3c2)CC1 ZINC000248106161 572253824 /nfs/dbraw/zinc/25/38/24/572253824.db2.gz QSZBAPLRLYFOLQ-WVXBCFDCSA-N 0 1 523.702 5.530 50 0 KKAAMN Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)c1 ZINC000248118030 572254137 /nfs/dbraw/zinc/25/41/37/572254137.db2.gz QLNSDPDISZWENL-XMMPIXPASA-N 0 1 511.645 5.034 50 0 KKAAMN Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)c1C ZINC000248122173 572254231 /nfs/dbraw/zinc/25/42/31/572254231.db2.gz VNIMQRWFVKVZEZ-OAQYLSRUSA-N 0 1 517.471 6.256 50 0 KKAAMN Cc1ccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)cc1C ZINC000248143734 572255396 /nfs/dbraw/zinc/25/53/96/572255396.db2.gz GOJJNHHCEQZABO-HHHXNRCGSA-N 0 1 556.154 5.916 50 0 KKAAMN CCCCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccs3)N3C=Cc4ccccc4[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000248195098 572256510 /nfs/dbraw/zinc/25/65/10/572256510.db2.gz ONYGOYDHSJNGAY-MXMCVKMKSA-N 0 1 572.730 7.463 50 0 KKAAMN CCCCCc1ccc(C(=O)[C@@H]2[C@H](C(C)=O)N3c4ccccc4C(C)=C[C@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000248198451 572256644 /nfs/dbraw/zinc/25/66/44/572256644.db2.gz SHPCEDYVHKRZLQ-MEROQGEASA-N 0 1 518.657 6.372 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1OC ZINC000248232503 572256789 /nfs/dbraw/zinc/25/67/89/572256789.db2.gz AXJFRACHOKARFO-ZQOCDUSVSA-N 0 1 536.628 5.292 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@H](C(=O)c2ccccc2)[C@@]12C(=O)Nc1ccccc12 ZINC000248240632 572256869 /nfs/dbraw/zinc/25/68/69/572256869.db2.gz DUEVLRKFAWQZET-YENKVUBUSA-N 0 1 504.630 5.974 50 0 KKAAMN CCCCN(CCCC)C(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000248248588 572257140 /nfs/dbraw/zinc/25/71/40/572257140.db2.gz RHPBMGOEFJSBNA-JOCHJYFZSA-N 0 1 525.535 6.429 50 0 KKAAMN CCCCN(CCCC)C(=O)[C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000248248591 572257107 /nfs/dbraw/zinc/25/71/07/572257107.db2.gz RHPBMGOEFJSBNA-QFIPXVFZSA-N 0 1 525.535 6.429 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)[C@H](C(=O)c1ccc(Cl)cc1)[C@]21C(=O)Nc2ccccc21 ZINC000248263235 572257513 /nfs/dbraw/zinc/25/75/13/572257513.db2.gz NEFDMADXSQLBSS-ACIRYHQQSA-N 0 1 525.048 6.319 50 0 KKAAMN C[C@H](NC(=O)[C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)c1ccccc1 ZINC000248274435 572257711 /nfs/dbraw/zinc/25/77/11/572257711.db2.gz XQGNBFUTMDLDSY-UNMCSNQZSA-N 0 1 517.471 5.877 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3cccc(OC)c3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)c1 ZINC000248329679 572258185 /nfs/dbraw/zinc/25/81/85/572258185.db2.gz DRZDKYKOOMXBJK-HXBWQCRLSA-N 0 1 570.645 5.950 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(=C(O)c1ccc(F)cc1)[C@]21C(=O)Nc2ccccc21 ZINC000248338464 572258455 /nfs/dbraw/zinc/25/84/55/572258455.db2.gz RINIXDQMIPUUAD-CTMYTVLESA-N 0 1 528.583 6.072 50 0 KKAAMN CCc1cccc(NC(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)c1 ZINC000251923435 572259561 /nfs/dbraw/zinc/25/95/61/572259561.db2.gz BQIOMTNMJQCPGM-NRFANRHFSA-N 0 1 517.471 6.201 50 0 KKAAMN CCc1ccccc1N1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000251980826 572259665 /nfs/dbraw/zinc/25/96/65/572259665.db2.gz FTFHOBGJZUABPL-VWLOTQADSA-N 0 1 586.578 5.911 50 0 KKAAMN CCc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000251999688 572259679 /nfs/dbraw/zinc/25/96/79/572259679.db2.gz LZQIFCGKZBBXAW-HHHXNRCGSA-N 0 1 556.154 5.861 50 0 KKAAMN CCc1ccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)cc1 ZINC000252011713 572259704 /nfs/dbraw/zinc/25/97/04/572259704.db2.gz SKTAGOOLYNIFJI-RUZDIDTESA-N 0 1 586.578 5.911 50 0 KKAAMN CCc1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000252023301 572259912 /nfs/dbraw/zinc/25/99/12/572259912.db2.gz ZTJFTHYDMANINC-RUZDIDTESA-N 0 1 586.578 5.911 50 0 KKAAMN CCc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000252023301 572259913 /nfs/dbraw/zinc/25/99/13/572259913.db2.gz ZTJFTHYDMANINC-RUZDIDTESA-N 0 1 586.578 5.911 50 0 KKAAMN COCc1n[nH]c(-c2ccc(NC(=O)CCCCCNc3ccc4c(cc3=O)[C@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)cc2)n1 ZINC000252537015 572262877 /nfs/dbraw/zinc/26/28/77/572262877.db2.gz KDZMUJHZXCVFIS-MUUNZHRXSA-N 0 1 684.794 5.406 50 0 KKAAMN Cc1ccccc1C(=O)N1CCCN(C(=O)[C@@H](C)N2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000253374276 572282288 /nfs/dbraw/zinc/28/22/88/572282288.db2.gz LUQQPNLBSSZAGB-QDPGVEIFSA-N 0 1 501.696 5.076 50 0 KKAAMN CC(=O)c1c(O)c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1ccccc1OCCc1ccc2c(c1)CCO2 ZINC000253404895 572286051 /nfs/dbraw/zinc/28/60/51/572286051.db2.gz IABVNYFLXGNEQC-NRFANRHFSA-N 0 1 526.541 5.007 50 0 KKAAMN COc1cc([C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)c2c(O)cc(C)oc2=O)cc(OC)c1OC ZINC000253470815 572289482 /nfs/dbraw/zinc/28/94/82/572289482.db2.gz FXZJRQGOIKQAQP-OAHLLOKOSA-N 0 1 508.354 5.147 50 0 KKAAMN CC(C)c1ccc(NC(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1 ZINC000253607650 572301063 /nfs/dbraw/zinc/30/10/63/572301063.db2.gz PJDAZNDJWUZZFV-JOCHJYFZSA-N 0 1 531.498 6.762 50 0 KKAAMN O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000253615525 572301335 /nfs/dbraw/zinc/30/13/35/572301335.db2.gz LWTSUQWMURCHJI-NRFANRHFSA-N 0 1 655.424 6.291 50 0 KKAAMN O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000253615525 572301336 /nfs/dbraw/zinc/30/13/36/572301336.db2.gz LWTSUQWMURCHJI-NRFANRHFSA-N 0 1 655.424 6.291 50 0 KKAAMN COc1ccc2[nH]c(=O)c([C@H]3CC(=O)Oc4cc(=O)c5c([O-])c(-c6ccc(Cl)cc6)coc-5c43)cc2c1 ZINC000253623720 572301711 /nfs/dbraw/zinc/30/17/11/572301711.db2.gz IUOVOAJPVOWNCJ-QGZVFWFLSA-N 0 1 515.905 5.522 50 0 KKAAMN COc1ccc2[nH]c(=O)c([C@H]3CC(=O)Oc4cc(=O)c5c(O)c(-c6ccc(Cl)cc6)coc-5c43)cc2c1 ZINC000253623720 572301712 /nfs/dbraw/zinc/30/17/12/572301712.db2.gz IUOVOAJPVOWNCJ-QGZVFWFLSA-N 0 1 515.905 5.522 50 0 KKAAMN COc1ccc2[nH]c(=O)c([C@@H]3CC(=O)Oc4cc(=O)c5c([O-])c(-c6ccc(Cl)cc6)coc-5c43)cc2c1 ZINC000253623719 572301722 /nfs/dbraw/zinc/30/17/22/572301722.db2.gz IUOVOAJPVOWNCJ-KRWDZBQOSA-N 0 1 515.905 5.522 50 0 KKAAMN COc1ccc2[nH]c(=O)c([C@@H]3CC(=O)Oc4cc(=O)c5c(O)c(-c6ccc(Cl)cc6)coc-5c43)cc2c1 ZINC000253623719 572301723 /nfs/dbraw/zinc/30/17/23/572301723.db2.gz IUOVOAJPVOWNCJ-KRWDZBQOSA-N 0 1 515.905 5.522 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CC(C)C)C(=O)Nc3ccc4nc(CC(C)C)[nH]c4c3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000409414768 1069811420 /nfs/dbraw/zinc/81/14/20/1069811420.db2.gz OCPBZMNGFBHXLX-JTSJOTPCSA-N 0 1 669.823 6.403 50 0 KKAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000409414798 1069811515 /nfs/dbraw/zinc/81/15/15/1069811515.db2.gz ORCSDDXRZCRAIF-JHILVTAESA-N 0 1 627.742 5.513 50 0 KKAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc2nc(C(C)C)[nH]c2c1 ZINC000409414309 1069847246 /nfs/dbraw/zinc/84/72/46/1069847246.db2.gz KKHIJKWQUCZCPB-XTUXQXSESA-N 0 1 655.796 6.328 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CCSC)C(=O)Nc3ccc4nc(CC(C)C)[nH]c4c3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000409413873 1069848343 /nfs/dbraw/zinc/84/83/43/1069848343.db2.gz VETIXJCJHRMEPI-LITSAYRRSA-N 0 1 687.863 6.110 50 0 KKAAMN O=C([C@@H]1C[C@@H](NCc2c(F)cccc2F)CN1Cc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000102629986 1069861401 /nfs/dbraw/zinc/86/14/01/1069861401.db2.gz FNCLKWCTZJWEKN-LXFBAYGMSA-N 0 1 558.595 5.065 50 0 KKAAMN CCOC(=O)c1c(C)c(C)sc1NC(=O)/C=C\c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1 ZINC000097995102 1070947472 /nfs/dbraw/zinc/94/74/72/1070947472.db2.gz RAKMUXYYGSQTFV-QINSGFPZSA-N 0 1 514.625 5.003 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC=C2c3ccccc3C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1C ZINC000103004628 1070970749 /nfs/dbraw/zinc/97/07/49/1070970749.db2.gz AKPNECDQXRQKFT-DIBXZPPDSA-N 0 1 567.667 6.061 50 0 KKAAMN COc1ccc(NC=C2c3ccccc3C(=O)N(c3cccc(S(=O)(=O)Nc4ccccc4OC)c3)C2=O)cc1 ZINC000103005027 1070971331 /nfs/dbraw/zinc/97/13/31/1070971331.db2.gz VDSYIOWHRWXMOO-XHPQRKPJSA-N 0 1 555.612 5.145 50 0 KKAAMN CCOC(=O)[C@H]1CCCN(c2nc3cc(OC)c(OC)cc3cc2CNCc2cccc(C(F)(F)F)c2)C1 ZINC000299758766 1071047986 /nfs/dbraw/zinc/04/79/86/1071047986.db2.gz MZNSWQZUIHPKFS-IBGZPJMESA-N 0 1 531.575 5.340 50 0 KKAAMN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(-c2ccc(OC)cc2OC)n[nH]1 ZINC000888089226 1071059191 /nfs/dbraw/zinc/05/91/91/1071059191.db2.gz PJXHFJGGWYEHGO-SJDKQRRASA-N 0 1 700.793 5.131 50 0 KKAAMN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c(CCC2CCCC2)n1 ZINC000888089003 1071057285 /nfs/dbraw/zinc/05/72/85/1071057285.db2.gz BVMLCXLUJCAZQK-VUKKFVKJSA-N 0 1 660.816 5.569 50 0 KKAAMN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(CCC2CCCC2)n[nH]1 ZINC000888089003 1071057292 /nfs/dbraw/zinc/05/72/92/1071057292.db2.gz BVMLCXLUJCAZQK-VUKKFVKJSA-N 0 1 660.816 5.569 50 0 KKAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(-c2ccccc2)n[nH]1 ZINC000888089416 1071060665 /nfs/dbraw/zinc/06/06/65/1071060665.db2.gz AUPVMVUPRQOWCR-VEVKCIFTSA-N 0 1 640.741 5.113 50 0 KKAAMN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(-c2ccccc2OC)n[nH]1 ZINC000888089466 1071060683 /nfs/dbraw/zinc/06/06/83/1071060683.db2.gz FKNLUOXXSOTURF-DDMAJYPWSA-N 0 1 670.767 5.122 50 0 KKAAMN CN(CCN(C)C(=O)OC(C)(C)C)Cc1cn([C@H]2CCCCO2)nc1-c1ccc(O[C@H]2C[C@H](OCc3ccccc3)C2)cc1 ZINC000575442443 1071141431 /nfs/dbraw/zinc/14/14/31/1071141431.db2.gz OSBKEDOAZUPHOL-XWHIBYANSA-N 0 1 604.792 6.675 50 0 KKAAMN CC(C)Cc1ccc(C(O)=C2[C@@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227030546 1071184976 /nfs/dbraw/zinc/18/49/76/1071184976.db2.gz GUWOERFYNJKZIU-ZXFZPVEDSA-N 0 1 593.148 7.456 50 0 KKAAMN CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(=C(O)c1ccc(Cl)cc1Cl)[C@]21C(=O)Nc2ccccc21 ZINC000604419478 1071275306 /nfs/dbraw/zinc/27/53/06/1071275306.db2.gz BWEQFPMJXCVAOS-JVPIYLDOSA-N 0 1 559.493 6.972 50 0 KKAAMN COc1ccc(-c2cc(O)c3c(=O)cc4c(c-3o2)[C@H](c2cccc(OCCc3ccc5c(c3)CCO5)c2)CC(=O)O4)cc1O ZINC000217851672 1071292848 /nfs/dbraw/zinc/29/28/48/1071292848.db2.gz YKOOFYDNPNITPB-DEOSSOPVSA-N 0 1 592.600 5.877 50 0 biogenic KKAAMN S=C(Nc1ccccc1Cl)C1=C(N2CCCCC2)/C(=C/c2cccc(Oc3ccccc3)c2)CC1 ZINC000102928633 1071306394 /nfs/dbraw/zinc/30/63/94/1071306394.db2.gz QWBPSVKOEFHCGN-ATJXCDBQSA-N 0 1 501.095 8.489 50 0 KKAAMN CCOC(=O)Cc1csc(N[P@@](=O)(/C=C(/Cl)c2ccccc2)/C=C(\Cl)c2ccccc2)n1 ZINC000096400909 1072834545 /nfs/dbraw/zinc/83/45/45/1072834545.db2.gz MTMHCUAQGBIMBQ-TVGQLCNQSA-N 0 1 507.379 7.414 50 0 KKAAMN Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=[NH+][N-]c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000254342358 1072848048 /nfs/dbraw/zinc/84/80/48/1072848048.db2.gz WAGOQCHPKMENPR-UHFFFAOYSA-N 0 1 580.070 5.589 50 0 KKAAMN CC(C)(C)c1ccc(C2N=NC(=S)N2N=Cc2cc(I)cc(I)c2O)cc1 ZINC000254379087 1072850078 /nfs/dbraw/zinc/85/00/78/1072850078.db2.gz QPVMFAFZXGTRLS-UHFFFAOYSA-N 0 1 604.255 5.328 50 0 KKAAMN CC(C)(C)c1cc(C(=O)NN=Cc2cc(Br)cc(Br)c2O)n(-c2ccccc2)n1 ZINC000254485160 1072857791 /nfs/dbraw/zinc/85/77/91/1072857791.db2.gz HOEVWECELOFKMA-UHFFFAOYSA-N 0 1 520.225 5.164 50 0 KKAAMN CCCCCCCCOc1ccc(C=N/N=C2\NC(=O)C(Cc3ccc(SC(F)F)cc3)S2)cc1 ZINC000254492121 1072858726 /nfs/dbraw/zinc/85/87/26/1072858726.db2.gz CKOGNWQLTXOYOY-QHCPKHFHSA-N 0 1 519.683 6.905 50 0 KKAAMN Cc1ccc(-c2nn(-c3ccccc3)cc2C=N/N=C2\NC(=O)C(Cc3ccc(SC(F)F)cc3)S2)o1 ZINC000254696788 1072869718 /nfs/dbraw/zinc/86/97/18/1072869718.db2.gz CDJLXHMGTRYBFE-QFIPXVFZSA-N 0 1 537.617 5.920 50 0 KKAAMN CCOc1ccc(N=C2S[C@H](CC(=O)Nc3ccc(C)cc3)C(=O)N2c2ccc(OCC)cc2)cc1 ZINC000254799480 1072879963 /nfs/dbraw/zinc/87/99/63/1072879963.db2.gz XXYVSJJTXBBTOJ-RUZDIDTESA-N 0 1 503.624 5.957 50 0 KKAAMN CC(C)CCN1C(=O)C(=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccc(Cl)cc2)c2ccccc21 ZINC000254817295 1072880742 /nfs/dbraw/zinc/88/07/42/1072880742.db2.gz ZNRBSVIIEKGTBK-UHFFFAOYSA-N 0 1 542.017 5.258 50 0 KKAAMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1N=NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000254849114 1072884841 /nfs/dbraw/zinc/88/48/41/1072884841.db2.gz OGSKRXHTGFMLRX-UHFFFAOYSA-N 0 1 573.034 6.348 50 0 KKAAMN O=C(c1cccnc1)N1CCCC[C@@H]1CCOc1cccc(CN2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000055358118 1072899791 /nfs/dbraw/zinc/89/97/91/1072899791.db2.gz OEBBCWQPMGYDRC-HHHXNRCGSA-N 0 1 519.089 5.521 50 0 KKAAMN O=C(c1ccoc1)N1CCCC[C@@H]1CCOc1cccc(CN2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000055227066 1072899981 /nfs/dbraw/zinc/89/99/81/1072899981.db2.gz SJXUKKKNTMTKBZ-AREMUKBSSA-N 0 1 508.062 5.719 50 0 KKAAMN COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000000671321 551519279 /nfs/dbraw/zinc/51/92/79/551519279.db2.gz DERVVVQTRNXGIC-UHFFFAOYSA-N 0 1 507.439 6.353 50 0 KKAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2)n1 ZINC000000942392 551588216 /nfs/dbraw/zinc/58/82/16/551588216.db2.gz FQKXBMCCEBIXHR-UHFFFAOYSA-N 0 1 526.540 5.832 50 0 KKAAMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000000980507 551591765 /nfs/dbraw/zinc/59/17/65/551591765.db2.gz UQTCGZLNEQASJM-WGOQTCKBSA-N 0 1 505.574 6.654 50 0 KKAAMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)Nc4ccccc4)c3)cc2)cc1 ZINC000001079604 551605581 /nfs/dbraw/zinc/60/55/81/551605581.db2.gz LMLKLPMUBGSIMY-UHFFFAOYSA-N 0 1 572.064 5.203 50 0 KKAAMN CCOC(=O)c1c2cc(NS(=O)(=O)c3ccc4ccccc4c3)c3ccccc3c2oc1-c1ccccc1 ZINC000001773933 551697091 /nfs/dbraw/zinc/69/70/91/551697091.db2.gz CEXJWMVOGGKXCZ-UHFFFAOYSA-N 0 1 521.594 7.384 50 0 KKAAMN O=C(Nc1ccc(Oc2ccc3ccccc3c2Br)c(Cl)c1)c1cc(Cl)ccc1O ZINC000001919878 551734310 /nfs/dbraw/zinc/73/43/10/551734310.db2.gz BRZVDQBVOYVKAV-UHFFFAOYSA-N 0 1 503.179 7.659 50 0 KKAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000002086075 551756013 /nfs/dbraw/zinc/75/60/13/551756013.db2.gz RVTUNEAVKZUOCL-UHFFFAOYSA-N 0 1 522.011 5.460 50 0 KKAAMN O=C(Nc1ccccc1)[C@@H]1[C@H](C(=O)c2ccc(F)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000002194046 551791584 /nfs/dbraw/zinc/79/15/84/551791584.db2.gz NDHJEWNVIZTEAB-CILKRHGOSA-N 0 1 529.571 5.438 50 0 KKAAMN COC(=O)[C@](NC(=O)c1ccc(Cl)cc1Cl)(Nc1nc2ccc(Cl)cc2s1)C(F)(F)F ZINC000002321779 552094447 /nfs/dbraw/zinc/09/44/47/552094447.db2.gz YDQRJSCKAYXCDN-KRWDZBQOSA-N 0 1 512.724 5.530 50 0 KKAAMN COc1cc2c(cc1OC)[C@@H](c1c([O-])n(-c3ccccc3)c(=S)n(-c3ccc(Br)cc3)c1=O)[NH2+]CC2 ZINC000002365033 552103698 /nfs/dbraw/zinc/10/36/98/552103698.db2.gz OVLVRCLHPAVTBL-DEOSSOPVSA-N 0 1 566.477 5.078 50 0 KKAAMN COc1cc2c(cc1OC)[C@@H](c1c([O-])n(-c3ccc(Br)cc3)c(=S)n(-c3ccccc3)c1=O)[NH2+]CC2 ZINC000002365033 552103700 /nfs/dbraw/zinc/10/37/00/552103700.db2.gz OVLVRCLHPAVTBL-DEOSSOPVSA-N 0 1 566.477 5.078 50 0 KKAAMN O=C(Oc1ccc([C@@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccccc2)cc1)c1ccccc1 ZINC000002416374 552114849 /nfs/dbraw/zinc/11/48/49/552114849.db2.gz FGYBWTFVCYLGRF-VJGNERBWSA-N 0 1 524.960 5.610 50 0 KKAAMN COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000002428186 552117177 /nfs/dbraw/zinc/11/71/77/552117177.db2.gz FNIRWKIAUHOBTH-AREMUKBSSA-N 0 1 518.997 5.141 50 0 KKAAMN CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000002453309 552124222 /nfs/dbraw/zinc/12/42/22/552124222.db2.gz KWKZEBNITZMECM-YPKYBTACSA-N 0 1 534.612 6.024 50 0 KKAAMN CC(C)(C)CC(C)(C)NC(=S)Oc1ccc(C(=O)Nc2ccc(I)cc2)cc1 ZINC000003112315 552289574 /nfs/dbraw/zinc/28/95/74/552289574.db2.gz SBHGEXZWDVQCAQ-UHFFFAOYSA-N 0 1 510.441 6.012 50 0 KKAAMN Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)N(c2nc3ccccc3s2)c2ccc(F)cc2)ccc1F ZINC000003235371 552316591 /nfs/dbraw/zinc/31/65/91/552316591.db2.gz AGYTYCGIUKCGHP-UHFFFAOYSA-N 0 1 535.597 6.662 50 0 KKAAMN O=C(c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)N(Cc1ccccc1)Cc1ccccc1 ZINC000003264295 552327795 /nfs/dbraw/zinc/32/77/95/552327795.db2.gz BTIURXDYZBWHSW-UHFFFAOYSA-N 0 1 525.457 6.637 50 0 KKAAMN O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1nc(SCc2ccc(Cl)cc2)n[nH]1 ZINC000003294755 552342160 /nfs/dbraw/zinc/34/21/60/552342160.db2.gz UGUZGYHTBFWFCH-OAQYLSRUSA-N 0 1 526.449 5.904 50 0 KKAAMN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccccc1C(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000003321283 552355535 /nfs/dbraw/zinc/35/55/35/552355535.db2.gz YKBRREQTCPFHHO-UHFFFAOYSA-N 0 1 548.583 5.908 50 0 KKAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=O)c2ccc3ncsc3c2)cc1 ZINC000003335705 552360843 /nfs/dbraw/zinc/36/08/43/552360843.db2.gz OYQKBFZEVOMWFD-UHFFFAOYSA-N 0 1 532.441 5.511 50 0 KKAAMN COc1ccc(NC(=O)CCCSc2nc3ccccc3s2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000003335588 552360855 /nfs/dbraw/zinc/36/08/55/552360855.db2.gz QLZHGQVHNPLKPF-UHFFFAOYSA-N 0 1 531.656 5.756 50 0 KKAAMN CCN(CC)[C@H](CNC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1)c1ccccc1Cl ZINC000003418979 552383399 /nfs/dbraw/zinc/38/33/99/552383399.db2.gz WBPKHBXLHPYZRJ-JOCHJYFZSA-N 0 1 501.483 6.515 50 0 KKAAMN CCOC(=O)c1cc(CC)sc1NC(=O)c1cc(Br)ccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000003666886 552409235 /nfs/dbraw/zinc/40/92/35/552409235.db2.gz XPOSWSIACVDANI-UHFFFAOYSA-N 0 1 571.902 5.956 50 0 KKAAMN O=C([O-])Cc1cccc(OCCC[N@H+](Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1 ZINC000003966253 552424286 /nfs/dbraw/zinc/42/42/86/552424286.db2.gz NAXSRXHZFIBFMI-UHFFFAOYSA-N 0 1 582.062 8.089 50 0 in-vivo KKAAMN COc1cc(C[C@H]2c3cc(OC)c(OC)cc3CCN2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@H](C3)N(C)CC4)cc1OC ZINC000004098256 552436470 /nfs/dbraw/zinc/43/64/70/552436470.db2.gz ZCTJIMXXSXQXRI-KYJUHHDHSA-N 0 1 696.841 7.063 50 0 biogenic,in-vitro KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)Nc2cc3oc4ccccc4c3cc2OC)c1 ZINC000004633441 552469136 /nfs/dbraw/zinc/46/91/36/552469136.db2.gz XEOKTKDVSOACEH-SFHVURJKSA-N 0 1 574.611 5.588 50 0 KKAAMN O=C(C[C@@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1CCCN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(F)cc1 ZINC000004761948 552478329 /nfs/dbraw/zinc/47/83/29/552478329.db2.gz UYHIWZFUPPULIK-HHHXNRCGSA-N 0 1 598.119 5.161 50 0 KKAAMN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCCN2CCN(c3ccccc3)CC2)cc1 ZINC000004762059 552478539 /nfs/dbraw/zinc/47/85/39/552478539.db2.gz OFRZSAGGHVLRCB-GDLZYMKVSA-N 0 1 636.218 5.291 50 0 KKAAMN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCCN2CCN(c3ccccc3)CC2)cc1 ZINC000004762052 552478602 /nfs/dbraw/zinc/47/86/02/552478602.db2.gz FSYBTXGFCLGCMS-GDLZYMKVSA-N 0 1 606.192 5.282 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCCN2CCN(c3ccccc3)CC2)cc1 ZINC000004762112 552478837 /nfs/dbraw/zinc/47/88/37/552478837.db2.gz YADHUAZPLUVBDM-PMERELPUSA-N 0 1 620.219 5.672 50 0 KKAAMN COc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCCN3CCN(c4ccc(F)cc4)CC3)C2=S)c1 ZINC000004762179 552479090 /nfs/dbraw/zinc/47/90/90/552479090.db2.gz FYYFJYDKQUSHIG-NDEPHWFRSA-N 0 1 610.155 5.031 50 0 KKAAMN Cc1cc(N2CCC(C)CC2)nc2ccc(NC(=O)CCC(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)cc12 ZINC000004788055 552482585 /nfs/dbraw/zinc/48/25/85/552482585.db2.gz JBYFYWZKBBYUFY-UHFFFAOYSA-N 0 1 591.200 5.480 50 0 KKAAMN Oc1cccc(-c2nc(-c3ccccc3)c(-c3cccc(-c4nc(-c5cccc(O)c5)[nH]c4-c4ccccc4)c3)[nH]2)c1 ZINC000006028419 552520602 /nfs/dbraw/zinc/52/06/02/552520602.db2.gz JQPDWHYOAABFPI-UHFFFAOYSA-N 0 1 546.630 8.546 50 0 KKAAMN Oc1cccc(-c2nc(-c3cccc(-c4nc(-c5cccc(O)c5)[nH]c4-c4ccccc4)c3)c(-c3ccccc3)[nH]2)c1 ZINC000006028419 552520605 /nfs/dbraw/zinc/52/06/05/552520605.db2.gz JQPDWHYOAABFPI-UHFFFAOYSA-N 0 1 546.630 8.546 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2cnn3c2N[C@@H](c2ccccc2)C[C@H]3C(F)F)cc1 ZINC000006088778 552530693 /nfs/dbraw/zinc/53/06/93/552530693.db2.gz ZSXQOVFKYKTBRY-PKTZIBPZSA-N 0 1 553.591 5.308 50 0 KKAAMN CCCCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc3c4c(cccc41)C(=O)N3)c1ccccc21 ZINC000006142946 552544624 /nfs/dbraw/zinc/54/46/24/552544624.db2.gz RBJLOOFXLBNLCS-UHFFFAOYSA-N 0 1 528.586 6.371 50 0 KKAAMN CCN(CC)c1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000006146076 552547612 /nfs/dbraw/zinc/54/76/12/552547612.db2.gz JNBXMGZSEWHAQF-UHFFFAOYSA-N 0 1 502.434 5.348 50 0 KKAAMN CCn1c2ccccc2c2cc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(Cl)cc3)ccc21 ZINC000006146357 552547920 /nfs/dbraw/zinc/54/79/20/552547920.db2.gz CZYBHYHSDABQFG-UHFFFAOYSA-N 0 1 504.011 6.521 50 0 KKAAMN O=C(Nc1ccc(Cl)cc1Cl)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000006146990 552548800 /nfs/dbraw/zinc/54/88/00/552548800.db2.gz PUZBHGPHNMRBRK-UHFFFAOYSA-N 0 1 500.201 5.809 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)ccc1C ZINC000006181562 552562641 /nfs/dbraw/zinc/56/26/41/552562641.db2.gz RZINIVQGTMCORZ-UHFFFAOYSA-N 0 1 512.591 5.600 50 0 KKAAMN COc1ccc(NC=C2c3ccccc3C(=O)N(c3cccc(S(=O)(=O)Nc4ccccc4OC)c3)C2=O)cc1 ZINC000006296183 552578810 /nfs/dbraw/zinc/57/88/10/552578810.db2.gz VDSYIOWHRWXMOO-LGUFXXKBSA-N 0 1 555.612 5.145 50 0 KKAAMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000008384620 552989693 /nfs/dbraw/zinc/98/96/93/552989693.db2.gz VCJKVXRETAJZGX-UHFFFAOYSA-N 0 1 653.779 5.272 50 0 KKAAMN CCCCOc1ccc(N2C(=O)C[C@H](N(C(=S)Nc3ccc(Cl)c(Cl)c3)c3cnn(Cc4ccc(F)cc4)c3)C2=O)cc1 ZINC000008454536 553069300 /nfs/dbraw/zinc/06/93/00/553069300.db2.gz YPHOLKZNBYHYPH-NDEPHWFRSA-N 0 1 640.568 7.092 50 0 KKAAMN CCCCOc1ccc(N2C(=O)CC(N(C(=S)Nc3ccc(Cl)c(Cl)c3)c3cnn(Cc4ccc(F)cc4)c3)C2=O)cc1 ZINC000008454536 553069303 /nfs/dbraw/zinc/06/93/03/553069303.db2.gz YPHOLKZNBYHYPH-NDEPHWFRSA-N 0 1 640.568 7.092 50 0 KKAAMN Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2OC32CCN(Cc3ccccc3)CC2)cc1 ZINC000008717725 553129173 /nfs/dbraw/zinc/12/91/73/553129173.db2.gz YJPOVLRMTGZEIO-SANMLTNESA-N 0 1 502.456 6.293 50 0 KKAAMN Cc1cc(C)cc(Nc2cc(C(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)c3ccccc3n2)c1 ZINC000008814230 553151322 /nfs/dbraw/zinc/15/13/22/553151322.db2.gz JGGDFVZQDKGFLO-UHFFFAOYSA-N 0 1 528.100 6.191 50 0 KKAAMN CCOc1cc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2Cc2ccc(OC)cc2)ccc1O ZINC000008845178 553165489 /nfs/dbraw/zinc/16/54/89/553165489.db2.gz IUZRROWOSACPKR-MHZLTWQESA-N 0 1 519.985 5.602 50 0 KKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(Cl)c(C)cc4O)c3[C@@H]2c2ccc(SC)cc2)cc1 ZINC000008845394 553165525 /nfs/dbraw/zinc/16/55/25/553165525.db2.gz RVCVNGHTFNFOPB-MHZLTWQESA-N 0 1 520.054 6.263 50 0 KKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(C)cc(C)c4O)c3[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000008845554 553165737 /nfs/dbraw/zinc/16/57/37/553165737.db2.gz WXMVJJFWXKSSBC-AREMUKBSSA-N 0 1 522.432 6.502 50 0 KKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(C)cc(C)c4O)c3[C@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008845517 553165757 /nfs/dbraw/zinc/16/57/57/553165757.db2.gz CTRBLJRJHFPTQN-GDLZYMKVSA-N 0 1 509.650 6.493 50 0 KKAAMN CCCCOc1ccc([C@H](C)NC(=O)C2CCN(Cc3nc(-c4ccc(CC)cc4)oc3C)CC2)cc1 ZINC000008878376 553175502 /nfs/dbraw/zinc/17/55/02/553175502.db2.gz LCNHHHNXAPAVOP-QFIPXVFZSA-N 0 1 503.687 6.481 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000009011796 553199673 /nfs/dbraw/zinc/19/96/73/553199673.db2.gz DUEVLRKFAWQZET-UUZIFAJNSA-N 0 1 504.630 5.974 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000009088180 553208953 /nfs/dbraw/zinc/20/89/53/553208953.db2.gz DZAUPJNSMSKIDR-JVPIYLDOSA-N 0 1 506.602 5.284 50 0 KKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(Cl)c(C)cc4O)c3[C@H]2c2cccc(OC)c2)cc1 ZINC000009124674 553213041 /nfs/dbraw/zinc/21/30/41/553213041.db2.gz HPYVZEFKQYKPIK-HHHXNRCGSA-N 0 1 503.986 5.549 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccccc5OC)nc4c32)cc1 ZINC000009159507 553215285 /nfs/dbraw/zinc/21/52/85/553215285.db2.gz LUUPFWHCYUSYMW-RUZDIDTESA-N 0 1 516.561 5.589 50 0 KKAAMN COc1cccc([C@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2CCc2ccc(OC)c(OC)c2)c1 ZINC000009243204 553226941 /nfs/dbraw/zinc/22/69/41/553226941.db2.gz SGMIFECYIKXKNO-NDEPHWFRSA-N 0 1 513.594 5.213 50 0 KKAAMN COc1ccc(N=C2C[C@H](c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000009290908 553234494 /nfs/dbraw/zinc/23/44/94/553234494.db2.gz SJPBLTDPMZTWFB-MUUNZHRXSA-N 0 1 514.666 7.088 50 0 KKAAMN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc3c(s2)c(Cl)ccc3OC)cc1 ZINC000009325713 553241731 /nfs/dbraw/zinc/24/17/31/553241731.db2.gz YCOXMGBRWSULIB-UHFFFAOYSA-N 0 1 503.989 5.020 50 0 KKAAMN COc1ccc([C@@H]2N(c3ccccc3)O[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@]32c2ccccc2)cc1 ZINC000009428016 553260168 /nfs/dbraw/zinc/26/01/68/553260168.db2.gz KUWUBVXHHKKTIG-QXIHQKPUSA-N 0 1 506.558 5.077 50 0 KKAAMN COc1ccc([C@@H]2N(c3ccccc3)OC3C(=O)N(c4ccc(OC)cc4)C(=O)[C@]32c2ccccc2)cc1 ZINC000009428016 553260169 /nfs/dbraw/zinc/26/01/69/553260169.db2.gz KUWUBVXHHKKTIG-QXIHQKPUSA-N 0 1 506.558 5.077 50 0 KKAAMN COc1cccc2c1OC1(CCN(Cc3ccccc3)CC1)N1N=C(c3ccc(Cl)cc3Cl)C[C@@H]21 ZINC000009462933 553268671 /nfs/dbraw/zinc/26/86/71/553268671.db2.gz GOPMRNOOTMRKNG-VWLOTQADSA-N 0 1 508.449 6.538 50 0 KKAAMN Nn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000009488401 553273125 /nfs/dbraw/zinc/27/31/25/553273125.db2.gz OHLOUGALQZUQEW-UHFFFAOYSA-N 0 1 502.003 5.100 50 0 KKAAMN CCOc1ccc(-c2nc(SCC(=O)Nc3ccc4c(c3)OCO4)c(-c3ccc(OC)cc3)[nH]2)cc1 ZINC000009674207 553294727 /nfs/dbraw/zinc/29/47/27/553294727.db2.gz KNIDOIKNTPSOJT-UHFFFAOYSA-N 0 1 503.580 5.611 50 0 KKAAMN CCN(CCCNC(=O)C1CCN(Cc2nc(-c3ccc(Cl)cc3)oc2C)CC1)c1cccc(C)c1 ZINC000009693914 553299293 /nfs/dbraw/zinc/29/92/93/553299293.db2.gz UWBFYMYWGWYBCZ-UHFFFAOYSA-N 0 1 509.094 5.857 50 0 KKAAMN CCCCOc1ccc([C@@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000009778684 553307119 /nfs/dbraw/zinc/30/71/19/553307119.db2.gz BRVNEVTWOBUOSU-RPWUZVMVSA-N 0 1 519.395 5.381 50 0 KKAAMN CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)CC1 ZINC000010059899 553327508 /nfs/dbraw/zinc/32/75/08/553327508.db2.gz OVNHBUCMLXIRQP-FMIVXFBMSA-N 0 1 508.018 5.489 50 0 KKAAMN CCCCCOP(=O)(OCCCCC)C(NS(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F ZINC000012419837 553365633 /nfs/dbraw/zinc/36/56/33/553365633.db2.gz AJJRSHPUKABMOS-UHFFFAOYSA-N 0 1 527.464 6.393 50 0 KKAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(/N=c3\ssc4c3-c3ccccc3NC4(C)C)cc2)n1 ZINC000012436955 553366477 /nfs/dbraw/zinc/36/64/77/553366477.db2.gz JWZYWSCXHSZTLW-QYQHSDTDSA-N 0 1 509.682 5.577 50 0 KKAAMN Cc1ccc(N2CCN(C(=O)COc3ccc(-c4nc5ccccc5s4)cc3CN(C)C)CC2)c(C)c1 ZINC000012572103 553398290 /nfs/dbraw/zinc/39/82/90/553398290.db2.gz VJUBHDCXWGLRNR-UHFFFAOYSA-N 0 1 514.695 5.369 50 0 KKAAMN COc1cc(-c2nc(-c3ccc4c(c3)-c3ccccc3S4(=O)=O)c(-c3ccccc3)[nH]2)cc(OC)c1O ZINC000013124174 553449448 /nfs/dbraw/zinc/44/94/48/553449448.db2.gz KZORXZDASHXLJR-UHFFFAOYSA-N 0 1 510.571 5.947 50 0 KKAAMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCc3c[nH]c4ccccc34)c(Cl)cc2Cl)c1 ZINC000013128532 553450024 /nfs/dbraw/zinc/45/00/24/553450024.db2.gz FJAGTKRHQXUUBU-UHFFFAOYSA-N 0 1 502.423 5.556 50 0 KKAAMN COc1ccc(-c2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)C4c2ccccc2)cc1OC ZINC000013759438 553488723 /nfs/dbraw/zinc/48/87/23/553488723.db2.gz RTPFVHFBCQWKBE-VWLOTQADSA-N 0 1 516.561 5.589 50 0 KKAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1Br ZINC000013810885 553492466 /nfs/dbraw/zinc/49/24/66/553492466.db2.gz APJKPZYGRPGHCC-VSKRKVRLSA-N 0 1 513.775 5.162 50 0 KKAAMN Cc1ccc(NC(=O)c2c(NC(=O)CNCc3ccccc3)sc3c2CC[C@H](C(C)(C)C)C3)c(C)c1 ZINC000015946557 553544713 /nfs/dbraw/zinc/54/47/13/553544713.db2.gz KTRMCPBIXAXWMC-QFIPXVFZSA-N 0 1 503.712 6.497 50 0 KKAAMN COc1c(Br)cc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)cc1Br ZINC000015947054 553545152 /nfs/dbraw/zinc/54/51/52/553545152.db2.gz ZJDYYQJUHVAQKM-QGZVFWFLSA-N 0 1 515.271 5.477 50 0 KKAAMN Cc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccc(C)cc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000016001933 553550086 /nfs/dbraw/zinc/55/00/86/553550086.db2.gz ZZWIRYBYBNQXSK-KVOHOPFUSA-N 0 1 524.620 6.160 50 0 KKAAMN CCCCCc1ccc(C(=O)[C@@H]2[C@H](C(C)=O)N3c4ccc(F)cc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000016007280 553550252 /nfs/dbraw/zinc/55/02/52/553550252.db2.gz UBMQMRFPLBZFGT-RFGOCLGJSA-N 0 1 522.620 6.121 50 0 KKAAMN FC(F)(F)c1cccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CCN(Cc3ccccc3)CC2)c1 ZINC000016712792 553575022 /nfs/dbraw/zinc/57/50/22/553575022.db2.gz BZSPKOHOUXTRGN-UHFFFAOYSA-N 0 1 513.567 6.429 50 0 KKAAMN COc1ccc(Nc2cc(C)nc(Nc3ccc(NS(=O)(=O)c4cc(C)ccc4OC)cc3)n2)cc1 ZINC000017026559 553586801 /nfs/dbraw/zinc/58/68/01/553586801.db2.gz CSQZCUYUVMWGAU-UHFFFAOYSA-N 0 1 505.600 5.399 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccc3c(c2)OCO3)[C@]12C(=O)Nc1ccccc12 ZINC000070681116 553604877 /nfs/dbraw/zinc/60/48/77/553604877.db2.gz XCICHDJMQPMFRE-RCFASBGUSA-N 0 1 568.629 5.970 50 0 biogenic KKAAMN COc1cccc(C(O)=C2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000070680977 553604928 /nfs/dbraw/zinc/60/49/28/553604928.db2.gz VYOMKEZLPNPPMF-ZXFZPVEDSA-N 0 1 540.619 5.941 50 0 biogenic KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccccc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N32)c1 ZINC000070687017 553605912 /nfs/dbraw/zinc/60/59/12/553605912.db2.gz HUOHZWRQFIUARM-WFPUBZAHSA-N 0 1 526.592 5.551 50 0 biogenic KKAAMN Cc1ccc2c(c1)N1[C@H](C=C2)[C@@]2(C(=O)Nc3ccccc32)C(=C(O)c2ccccc2)[C@H]1C(=O)c1ccccc1 ZINC000070687139 553606140 /nfs/dbraw/zinc/60/61/40/553606140.db2.gz AJLKAUFNRKIERW-WFPUBZAHSA-N 0 1 510.593 5.851 50 0 biogenic KKAAMN COc1cc(OC)c(-c2nc(-c3ccccc3C(F)(F)F)c(-c3ccccc3)[nH]2)cc1Br ZINC000018194337 553608357 /nfs/dbraw/zinc/60/83/57/553608357.db2.gz FNOQXEWXDBRBLD-UHFFFAOYSA-N 0 1 503.318 7.209 50 0 KKAAMN CC(C)c1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000071328667 553635353 /nfs/dbraw/zinc/63/53/53/553635353.db2.gz YFNRPYLHGXFNNX-QFIPXVFZSA-N 0 1 512.425 5.904 50 0 KKAAMN O=c1cc(CSc2ccc(Cl)cc2)nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[nH]1 ZINC000019943524 553646222 /nfs/dbraw/zinc/64/62/22/553646222.db2.gz KPYVIPRSYTUYED-UHFFFAOYSA-N 0 1 503.071 5.627 50 0 KKAAMN CCc1c(C)nc2c(-c3ccccc3)c(C)nn2c1N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020519295 553669111 /nfs/dbraw/zinc/66/91/11/553669111.db2.gz JJVPJOFCFPUNAF-UHFFFAOYSA-N 0 1 501.678 6.487 50 0 KKAAMN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)COc5cc(O)c6c(=O)cc(-c7ccccc7)oc6c5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000079210106 553670422 /nfs/dbraw/zinc/67/04/22/553670422.db2.gz WXIZXILJEQMMHV-PTRTWQFRSA-N 0 1 680.926 10.498 50 0 biogenic KKAAMN COc1cc2c3c(c1O)-c1cc(OC)c(Oc4cc(OC)c(OC)cc4C[C@@H]4c5cc(OC)c(OC)cc5CCN4C)cc1C[C@@H]3N(C)CC2 ZINC000079228534 553672573 /nfs/dbraw/zinc/67/25/73/553672573.db2.gz DRACRVAKPKYPSB-WDYNHAJCSA-N 0 1 682.814 6.760 50 0 biogenic KKAAMN C[C@H](NC(=O)CCCn1c(=O)c2cc(Br)ccc2[nH]c1=S)C12CC3CC(CC(C3)C1)C2 ZINC000020644193 553684034 /nfs/dbraw/zinc/68/40/34/553684034.db2.gz VZNRKMJQJWEBRG-IOAHRDFVSA-N 0 1 504.494 5.323 50 0 KKAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2ccc(OCC(C)C)c(OC)c2)cc1 ZINC000085877515 553689240 /nfs/dbraw/zinc/68/92/40/553689240.db2.gz ICHRHVSPYKSFKO-HXUWFJFHSA-N 0 1 516.546 5.659 50 0 biogenic KKAAMN CSc1nc(Sc2n[nH]c(-c3cc(Cl)cc(Cl)c3)n2)cc(Sc2nc(-c3cc(Cl)cc(Cl)c3)n[nH]2)n1 ZINC000095703725 553708775 /nfs/dbraw/zinc/70/87/75/553708775.db2.gz PYUCNVHHUDEOAW-UHFFFAOYSA-N 0 1 614.396 7.685 50 0 KKAAMN COc1cc(C(=O)OCCN2CCN(CC/C=C3\c4ccccc4CSc4ccccc43)CC2)cc(OC)c1OC ZINC000095842774 553713909 /nfs/dbraw/zinc/71/39/09/553713909.db2.gz APQITQRAFUZEHH-KKMKTNMSSA-N 0 1 574.743 5.615 50 0 KKAAMN CCOC(=O)c1c2c(sc1Nc1nc3ccccc3nc1N1CCN(C(c3ccccc3)c3ccccc3)CC1)CCCC2 ZINC000096022169 553719929 /nfs/dbraw/zinc/71/99/29/553719929.db2.gz KBZNZGGCUNAZSV-UHFFFAOYSA-N 0 1 603.792 7.402 50 0 KKAAMN COc1cccc([C@@H](c2sc3ncnn3c2[O-])N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000022609884 553748206 /nfs/dbraw/zinc/74/82/06/553748206.db2.gz VOUZMNHZXNTUGH-SANMLTNESA-N 0 1 511.651 5.002 50 0 KKAAMN O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)N1OC[C@H]2COc3ccc4ccccc4c3[C@@H]21 ZINC000022873011 553766082 /nfs/dbraw/zinc/76/60/82/553766082.db2.gz GYKYPNVEZQFHKU-ZORMNXRFSA-N 0 1 519.645 5.071 50 0 KKAAMN O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)N1OC[C@@H]2COc3ccc4ccccc4c3[C@H]21 ZINC000022873015 553766242 /nfs/dbraw/zinc/76/62/42/553766242.db2.gz GYKYPNVEZQFHKU-CMVGPNDKSA-N 0 1 519.645 5.071 50 0 KKAAMN O=C(N[C@H]1CCC[C@@H]1OCc1ccccc1)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000025144102 553794167 /nfs/dbraw/zinc/79/41/67/553794167.db2.gz IUVHRWNHJFJSCY-IGKIAQTJSA-N 0 1 506.433 6.918 50 0 KKAAMN O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)cc1 ZINC000025162164 553803175 /nfs/dbraw/zinc/80/31/75/553803175.db2.gz KQTAIAFOSGNQPD-HHHXNRCGSA-N 0 1 511.547 7.476 50 0 KKAAMN CCC(C)(C)c1ccc(C(C)(C)CC)c(OCCCCNC(=O)c2cc(Sc3nnnn3-c3ccccc3)c3ccccc3c2O)c1 ZINC000097950841 553805724 /nfs/dbraw/zinc/80/57/24/553805724.db2.gz AHAPRNJJLCVOBE-UHFFFAOYSA-N 0 1 651.877 8.637 50 0 KKAAMN O=C(Nc1cccc([C@H]2NC[C@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)c1)c1ccc(Cl)cc1 ZINC000025462508 553809444 /nfs/dbraw/zinc/80/94/44/553809444.db2.gz WNWZXPIYKLTWKS-UFHPHHKVSA-N 0 1 512.440 7.552 50 0 KKAAMN Brc1ccc2c(c1)[C@H]1CC(c3ccc4ccccc4c3)=NN1C1(CCN(Cc3ccccc3)CC1)O2 ZINC000097951558 553809669 /nfs/dbraw/zinc/80/96/69/553809669.db2.gz IHGJZNMYUSHNPN-GDLZYMKVSA-N 0 1 538.489 7.138 50 0 KKAAMN COc1ccc(Cc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)C4c2ccccc2)cc1OC ZINC000097954707 553824940 /nfs/dbraw/zinc/82/49/40/553824940.db2.gz UCVNHNHFUZRCFK-MHZLTWQESA-N 0 1 530.588 5.512 50 0 KKAAMN CCCCOc1ccc([C@@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1 ZINC000027522879 553829600 /nfs/dbraw/zinc/82/96/00/553829600.db2.gz AGWKTPYZKLLUEU-DNQXCXABSA-N 0 1 508.496 5.637 50 0 KKAAMN Cc1cc(Br)ccc1S(=O)(=O)Nc1cc2c(cc1SC1CCCCC1)n(C)c(=O)n2C ZINC000028049247 553837387 /nfs/dbraw/zinc/83/73/87/553837387.db2.gz AIKYBEWSFVPVLR-UHFFFAOYSA-N 0 1 524.506 5.174 50 0 KKAAMN COc1ccccc1C1c2c(C)nn(-c3cccc(Cl)c3)c2Oc2ncn3nc(-c4ccccc4O)nc3c21 ZINC000097956621 553840091 /nfs/dbraw/zinc/84/00/91/553840091.db2.gz DGAGBLGVBFSQBY-XMMPIXPASA-N 0 1 536.979 5.939 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccc(Cl)cc4)c3Oc3ncn4nc(-c5ccncc5)nc4c32)cc1 ZINC000097956706 553840841 /nfs/dbraw/zinc/84/08/41/553840841.db2.gz RLRWRHRLZIONRI-HSZRJFAPSA-N 0 1 521.968 5.628 50 0 KKAAMN COc1ccccc1C1c2c(C)nn(-c3cccc(Cl)c3)c2Oc2ncn3nc(-c4cccnc4)nc3c21 ZINC000097956727 553841082 /nfs/dbraw/zinc/84/10/82/553841082.db2.gz DNZNOGLCHCJTNV-QHCPKHFHSA-N 0 1 521.968 5.628 50 0 KKAAMN COc1cc([C@H]2c3c(-c4ccc(Br)cc4)nn(-c4ccccc4)c3NC3=C2C(=O)OC3)cc(OC)c1OC ZINC000028712099 553843618 /nfs/dbraw/zinc/84/36/18/553843618.db2.gz KMWFCASZFOBIFV-HSZRJFAPSA-N 0 1 574.431 5.696 50 0 KKAAMN Cc1c(NC(=O)c2cccc(NC(=O)c3ccccc3NS(=O)(=O)c3c(C)c(C)cc(C)c3C)c2)c(=O)n(-c2ccccc2)n1C ZINC000029491981 553845205 /nfs/dbraw/zinc/84/52/05/553845205.db2.gz YQZGVLAXOOAQDU-UHFFFAOYSA-N 0 1 637.762 6.024 50 0 KKAAMN COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cc(I)c(O)c(I)c5)c(=O)n42)c2ccccc2CC3)cc1OC ZINC000097959198 553861775 /nfs/dbraw/zinc/86/17/75/553861775.db2.gz ZYVNEXHZOHFLIL-ZFWDJNJRSA-N 0 1 748.380 5.251 50 0 KKAAMN Cc1ccc(-c2noc(-c3cn(Cc4ccc(NS(=O)(=O)c5ccc(F)cc5F)cc4)cn3)n2)cc1 ZINC000032974764 553883755 /nfs/dbraw/zinc/88/37/55/553883755.db2.gz ILMANKLAMLAHBE-UHFFFAOYSA-N 0 1 507.522 5.036 50 0 KKAAMN Fc1ccc(-c2nc(-c3ccc(-c4nc(-c5ccc(F)cc5)c(-c5ccccc5)[nH]4)cc3)[nH]c2-c2ccccc2)cc1 ZINC000033355520 553935272 /nfs/dbraw/zinc/93/52/72/553935272.db2.gz QUOSBEOIIQHZIY-UHFFFAOYSA-N 0 1 550.612 9.413 50 0 KKAAMN Fc1ccc(-c2nc(-c3ccc(-c4nc(-c5ccccc5)c(-c5ccc(F)cc5)[nH]4)cc3)[nH]c2-c2ccccc2)cc1 ZINC000033355520 553935274 /nfs/dbraw/zinc/93/52/74/553935274.db2.gz QUOSBEOIIQHZIY-UHFFFAOYSA-N 0 1 550.612 9.413 50 0 KKAAMN O=C(C[C@@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1CCCN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(F)cc1 ZINC000033357136 553946744 /nfs/dbraw/zinc/94/67/44/553946744.db2.gz VYAIZNJTTDNSQW-HHHXNRCGSA-N 0 1 614.574 5.676 50 0 KKAAMN CCOc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)cc2Br)cc1 ZINC000033358406 553955510 /nfs/dbraw/zinc/95/55/10/553955510.db2.gz XDXOKJKXFIZXMB-PKTZIBPZSA-N 0 1 643.148 7.523 50 0 KKAAMN Cc1ccc(F)cc1N1C(=O)C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@@H]1c1cccs1 ZINC000033358456 553955706 /nfs/dbraw/zinc/95/57/06/553955706.db2.gz DXZCKFRLARVMDL-OALUTQOASA-N 0 1 544.218 6.562 50 0 KKAAMN Cc1ccc(F)cc1N1C(=O)C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@H]1c1cccs1 ZINC000033358455 553955810 /nfs/dbraw/zinc/95/58/10/553955810.db2.gz DXZCKFRLARVMDL-RTBURBONSA-N 0 1 544.218 6.562 50 0 KKAAMN O=C1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@@H](c2cccc(F)c2)N1c1ccc(Br)cc1 ZINC000033358477 553956176 /nfs/dbraw/zinc/95/61/76/553956176.db2.gz BABSFDQTNWYKKH-WOJBJXKFSA-N 0 1 603.058 6.955 50 0 KKAAMN CCCN1C(=O)N=NC1SCC(=O)N1N=C2C(=Cc3ccc(OC)cc3)CCC[C@@H]2[C@@H]1c1ccc(OC)cc1 ZINC000008685492 561707455 /nfs/dbraw/zinc/70/74/55/561707455.db2.gz TZCDPJMXJYOUEA-VHPZCLMNSA-N 0 1 547.681 5.326 50 0 KKAAMN CN1CC2=C(N=C3SC=C(c4ccccc4)N3[C@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 ZINC000033633941 553965507 /nfs/dbraw/zinc/96/55/07/553965507.db2.gz SWRQOJMJJGLIMD-RQLJPHHTSA-N 0 1 516.497 7.735 50 0 KKAAMN COc1cccc(CN2CCCN(c3ccc(NC(=O)c4ccccc4C(F)(F)F)cn3)CC2)c1OC ZINC000034681954 553985462 /nfs/dbraw/zinc/98/54/62/553985462.db2.gz JYHHHQNRPWCBES-UHFFFAOYSA-N 0 1 514.548 5.082 50 0 KKAAMN CCN(CC)c1ccc(NC(=O)/C=C/c2ccc(OS(=O)(=O)c3cc(C)ccc3C)c(OC)c2)cc1S(=O)(=O)Nc1ccccc1OC ZINC000097980124 553985495 /nfs/dbraw/zinc/98/54/95/553985495.db2.gz WFNSYOFRQDOZDP-CAPFRKAQSA-N 0 1 693.844 6.387 50 0 KKAAMN Cc1ccccc1S(=O)(=O)N(c1ccc(F)cc1)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000034683712 553985857 /nfs/dbraw/zinc/98/58/57/553985857.db2.gz VPCGDHKOAZNCSQ-UHFFFAOYSA-N 0 1 506.565 6.013 50 0 KKAAMN Cc1ccc(S(=O)(=O)N(c2ccc(F)cc2)C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000034683688 553985895 /nfs/dbraw/zinc/98/58/95/553985895.db2.gz MHYPOIKRPREBKW-UHFFFAOYSA-N 0 1 506.565 6.013 50 0 KKAAMN CCCCC[C@H](C)N/C=C1\c2ccccc2C(=O)N(c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)C1=O ZINC000097980522 553989256 /nfs/dbraw/zinc/98/92/56/553989256.db2.gz ABWODJCACQJXQN-QRUUQNQBSA-N 0 1 547.677 5.582 50 0 KKAAMN COc1ccc(NC(=O)/C=C/c2cccc(Br)c2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000097980617 553989922 /nfs/dbraw/zinc/98/99/22/553989922.db2.gz HVSLWALNYATDEZ-LFYBBSHMSA-N 0 1 521.820 5.564 50 0 KKAAMN Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1C ZINC000097982729 554005246 /nfs/dbraw/zinc/00/52/46/554005246.db2.gz KIQXRBHQXIIIBQ-UHFFFAOYSA-N 0 1 567.755 6.268 50 0 KKAAMN Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)ccc1F ZINC000097982882 554005580 /nfs/dbraw/zinc/00/55/80/554005580.db2.gz UBAQPTOZTLDQQP-UHFFFAOYSA-N 0 1 566.076 5.015 50 0 KKAAMN CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)cc1 ZINC000097982886 554005626 /nfs/dbraw/zinc/00/56/26/554005626.db2.gz UCCCXGIDBQNEDR-UHFFFAOYSA-N 0 1 595.699 5.256 50 0 KKAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccccc3NS(=O)(=O)c3cccc(C(F)(F)F)c3)ccc2N2CCOCC2)cc1 ZINC000097982910 554006100 /nfs/dbraw/zinc/00/61/00/554006100.db2.gz SKTJQUSUCWYJFP-UHFFFAOYSA-N 0 1 690.722 5.405 50 0 KKAAMN CCCCCc1ccc(C(=O)[C@@H]2[C@H](C(C)=O)N3c4ccc(F)cc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000034792737 554008341 /nfs/dbraw/zinc/00/83/41/554008341.db2.gz UBMQMRFPLBZFGT-XHKFQDSHSA-N 0 1 522.620 6.121 50 0 KKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000034829554 554012119 /nfs/dbraw/zinc/01/21/19/554012119.db2.gz JRHNVKGDAANFCM-UHFFFAOYSA-N 0 1 528.623 5.786 50 0 KKAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCCN(C(=O)CCC2CCCC2)CC1 ZINC000034830393 554015562 /nfs/dbraw/zinc/01/55/62/554015562.db2.gz MNYODBKMFQHKQZ-IADCTJSHSA-N 0 1 507.744 5.424 50 0 KKAAMN CCc1ccc(C(=O)N2CCCN(C(=O)[C@H](C)N3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000034830431 554015577 /nfs/dbraw/zinc/01/55/77/554015577.db2.gz TWMAHXODAVPQFG-IADCTJSHSA-N 0 1 515.723 5.330 50 0 KKAAMN C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(Cl)cc1 ZINC000034830512 554016232 /nfs/dbraw/zinc/01/62/32/554016232.db2.gz OLTYFLBAIKJLOR-WINIVTDRSA-N 0 1 526.077 5.251 50 0 KKAAMN CCCCOc1ccc(C(=O)N(Cc2c(C)nn(-c3ccccc3)c2N2CCN(C)CC2)CC(C)C)cc1 ZINC000034834399 554018868 /nfs/dbraw/zinc/01/88/68/554018868.db2.gz REWZHZZJXLTFJK-UHFFFAOYSA-N 0 1 517.718 5.410 50 0 KKAAMN CCCC[C@H](CC)C(=O)N(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(C(C)C)CC1)CC(C)C ZINC000034835335 554019584 /nfs/dbraw/zinc/01/95/84/554019584.db2.gz VJUCPBBILIQJNK-VWLOTQADSA-N 0 1 527.773 6.305 50 0 KKAAMN CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(C(C)C)CC1)C(=O)Cc1cccs1 ZINC000034835421 554019590 /nfs/dbraw/zinc/01/95/90/554019590.db2.gz ZKHHFNNRJCJHGD-UHFFFAOYSA-N 0 1 511.711 5.147 50 0 KKAAMN CCCC[C@@H](CC)C(=O)N(CCC)Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(C(C)C)CC1 ZINC000034835427 554020043 /nfs/dbraw/zinc/02/00/43/554020043.db2.gz LBEACRNNGLMSJO-XMMPIXPASA-N 0 1 513.746 6.059 50 0 KKAAMN O=C(Nc1ccc(Oc2ccc3ccccc3c2Cl)c(Cl)c1)c1cc(Br)ccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000097999455 554043229 /nfs/dbraw/zinc/04/32/29/554043229.db2.gz LQXAESANZLBEQU-UHFFFAOYSA-N 0 1 676.803 9.408 50 0 KKAAMN O=C(Nc1ccc(Oc2ccc(Cl)c3ccccc23)c(Cl)c1)c1cc(Br)ccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000097999729 554045393 /nfs/dbraw/zinc/04/53/93/554045393.db2.gz HZUIXESZLNLRGD-UHFFFAOYSA-N 0 1 676.803 9.408 50 0 KKAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)c(Cl)c1)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000035397169 554047723 /nfs/dbraw/zinc/04/77/23/554047723.db2.gz PHVPYZRPRIWSTM-UHFFFAOYSA-N 0 1 515.098 6.162 50 0 KKAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1cc(C)cc(C)c1)C(c1ccc(Br)cc1)=N2 ZINC000035397206 554047876 /nfs/dbraw/zinc/04/78/76/554047876.db2.gz RUIWBLWJPJBTAG-UHFFFAOYSA-N 0 1 513.505 5.451 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccc(Cl)cc5)nc4c32)cc1OC ZINC000098000059 554048162 /nfs/dbraw/zinc/04/81/62/554048162.db2.gz QBNDDWVNAKEHJZ-RUZDIDTESA-N 0 1 551.006 6.242 50 0 KKAAMN Cc1ccc(N2C(=O)[C@H](C)S[C@]23c2ccccc2N(CN2CCN(C(c4ccccc4)c4ccccc4)CC2)C3=O)cc1Cl ZINC000098003539 554054793 /nfs/dbraw/zinc/05/47/93/554054793.db2.gz QIOMEZZNUTWCQZ-HOYUZMNJSA-N 0 1 623.222 6.681 50 0 KKAAMN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CCN2CCCCC2)C(=O)Nc2ccccc2)s1 ZINC000035808322 554077299 /nfs/dbraw/zinc/07/72/99/554077299.db2.gz GDEVDGRZPPLQHX-UHFFFAOYSA-N 0 1 522.690 5.744 50 0 KKAAMN Cc1cccc(-n2[nH]c(Cc3ccccc3C)c(C=C3NC(=O)N(Cc4ccc(F)cc4)C3=O)c2=O)c1C ZINC000035829441 554079693 /nfs/dbraw/zinc/07/96/93/554079693.db2.gz KMCCMRQFZIWEPI-QQXSKIMKSA-N 0 1 510.569 5.326 50 0 KKAAMN CCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COC(C)C ZINC000035842573 554080961 /nfs/dbraw/zinc/08/09/61/554080961.db2.gz IYXBNZXIMFGNHV-NDEPHWFRSA-N 0 1 521.746 5.535 50 0 KKAAMN CC(C)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)Cc1ccccc1 ZINC000035842647 554081096 /nfs/dbraw/zinc/08/10/96/554081096.db2.gz LXZYHIOHIAPBNZ-HKBQPEDESA-N 0 1 539.764 6.351 50 0 KKAAMN O=C(c1ccco1)C1[C@@H](C(=O)c2ccccc2Cl)N2c3ccccc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000035844020 554082442 /nfs/dbraw/zinc/08/24/42/554082442.db2.gz QOMVAARPVKCEBK-MFUXGYHDSA-N 0 1 520.972 5.789 50 0 KKAAMN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CCN2CCCC2)C(=O)c2ccc(Cl)c(Cl)c2)cc1OC ZINC000098019722 554114072 /nfs/dbraw/zinc/11/40/72/554114072.db2.gz LGUFWJXIHDLLRB-UHFFFAOYSA-N 0 1 602.559 5.722 50 0 KKAAMN COCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COC(C)C ZINC000098020113 554116814 /nfs/dbraw/zinc/11/68/14/554116814.db2.gz GMJJTOPHYFQMKU-GDLZYMKVSA-N 0 1 551.772 5.161 50 0 KKAAMN COc1ccc(/C=C2\CN(C)CC3=C2N=C2SC=C(c4ccccc4)N2[C@@H]3c2ccc(OC)cc2)cc1 ZINC000036007041 554131869 /nfs/dbraw/zinc/13/18/69/554131869.db2.gz CSUQHRYVIMMDIO-NBLTXYOTSA-N 0 1 507.659 6.445 50 0 KKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(Cl)c(C)cc4O)c3[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000098046960 554145435 /nfs/dbraw/zinc/14/54/35/554145435.db2.gz OTWGSXCFGHPGLU-MHZLTWQESA-N 0 1 538.431 6.203 50 0 KKAAMN CCOc1cccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(Br)cc2)c1 ZINC000098047866 554157027 /nfs/dbraw/zinc/15/70/27/554157027.db2.gz WNFUXJYNUCTSII-QFIPXVFZSA-N 0 1 528.424 5.488 50 0 KKAAMN Oc1ccc2cc(-c3nc(-c4ccc(Br)cc4)cs3)/c(=N/c3ccc(Br)cc3)oc2c1 ZINC000098049867 554169499 /nfs/dbraw/zinc/16/94/99/554169499.db2.gz LHKRCHYPTHRQNX-VYIQYICTSA-N 0 1 554.263 7.686 50 0 KKAAMN CCOc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000098049874 554169757 /nfs/dbraw/zinc/16/97/57/554169757.db2.gz ZVPCQNNUTUSRIV-GOTSBHOMSA-N 0 1 564.252 6.760 50 0 KKAAMN CCOc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cccc(OC)c2)cc1 ZINC000098049910 554170153 /nfs/dbraw/zinc/17/01/53/554170153.db2.gz NNCYTMBSSWBQKG-GOTSBHOMSA-N 0 1 580.251 6.460 50 0 KKAAMN COc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Br)c(C)c2)cc1Br ZINC000098049928 554170453 /nfs/dbraw/zinc/17/04/53/554170453.db2.gz DKKKKDJDCWTEJC-FCHUYYIVSA-N 0 1 708.017 7.895 50 0 KKAAMN COc1ccc(OC)c([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(OC)c(Cl)c2)c1 ZINC000098049958 554170742 /nfs/dbraw/zinc/17/07/42/554170742.db2.gz UGYJXNVHMFTJMI-GOTSBHOMSA-N 0 1 630.695 6.732 50 0 KKAAMN COc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Cl)c(Cl)c2)cc1Br ZINC000098049987 554170808 /nfs/dbraw/zinc/17/08/08/554170808.db2.gz SNDUCWALXFLQLY-RTWAWAEBSA-N 0 1 683.984 8.131 50 0 KKAAMN CCOc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cc(Cl)ccc2C)cc1 ZINC000098049999 554171102 /nfs/dbraw/zinc/17/11/02/554171102.db2.gz HONHPPPCMJSAFQ-PKTZIBPZSA-N 0 1 598.697 7.413 50 0 KKAAMN CCOc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cc(F)ccc2C)cc1 ZINC000098050040 554171316 /nfs/dbraw/zinc/17/13/16/554171316.db2.gz GRBSZLSBZQEAHK-GOTSBHOMSA-N 0 1 582.242 6.899 50 0 KKAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2cccc(Br)c2)cc1F ZINC000098050067 554171755 /nfs/dbraw/zinc/17/17/55/554171755.db2.gz INIBCOCHRHFHTL-RTWAWAEBSA-N 0 1 617.085 7.263 50 0 KKAAMN CCOc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(OCC)cc2)cc1 ZINC000098050089 554172044 /nfs/dbraw/zinc/17/20/44/554172044.db2.gz BDEVOVHLCFTUFP-DNQXCXABSA-N 0 1 594.278 6.850 50 0 KKAAMN COCCCN(Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1cccc(F)c1 ZINC000036203093 554201019 /nfs/dbraw/zinc/20/10/19/554201019.db2.gz JYVPDHNROJYTHX-UHFFFAOYSA-N 0 1 519.613 5.759 50 0 KKAAMN Cc1ccc(-c2csc3[nH]c(CN(C[C@@H](O)Cc4ccccc4)C4CCCCC4)nc(=O)c23)cc1C ZINC000036205358 554201132 /nfs/dbraw/zinc/20/11/32/554201132.db2.gz BQPSENSCVSOJSF-VWLOTQADSA-N 0 1 501.696 6.007 50 0 KKAAMN COc1ccccc1Oc1c(CN(C[C@H](O)COCc2ccco2)C(C)C)c(C)nn1-c1ccccc1 ZINC000036301989 554212074 /nfs/dbraw/zinc/21/20/74/554212074.db2.gz YEZMOHUNVMYRPD-DEOSSOPVSA-N 0 1 505.615 5.363 50 0 KKAAMN COc1ccc(Oc2c(CN(CC(C)C)C[C@H](O)COc3ccccc3C)c(C)nn2-c2ccccc2)cc1 ZINC000036302374 554212456 /nfs/dbraw/zinc/21/24/56/554212456.db2.gz LKPBEQOOSPQNNS-MHZLTWQESA-N 0 1 529.681 6.188 50 0 KKAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@H](O)COCC(C)C ZINC000036304962 554215009 /nfs/dbraw/zinc/21/50/09/554215009.db2.gz AZWUQOXWASHKNU-QFIPXVFZSA-N 0 1 502.055 5.015 50 0 KKAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C[C@@H](O)Cc1ccccc1 ZINC000036305078 554215035 /nfs/dbraw/zinc/21/50/35/554215035.db2.gz AQDSWDLEBJLJAR-VWLOTQADSA-N 0 1 506.046 5.585 50 0 KKAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@H](O)COc1ccccc1 ZINC000036306297 554215771 /nfs/dbraw/zinc/21/57/71/554215771.db2.gz SAZBBJRWRJAMCG-VWLOTQADSA-N 0 1 501.627 5.076 50 0 KKAAMN Cc1ccc(C2=NN(C(=O)CN3CCC(Cc4ccccc4)CC3)[C@@H](c3ccccc3Cl)C2)cc1C ZINC000036340985 554220307 /nfs/dbraw/zinc/22/03/07/554220307.db2.gz DQWNRZBBTOMEAH-SSEXGKCCSA-N 0 1 500.086 6.589 50 0 KKAAMN COc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000036341193 554220625 /nfs/dbraw/zinc/22/06/25/554220625.db2.gz ZGCHHNAJJLYJJU-GDLZYMKVSA-N 0 1 502.058 5.981 50 0 KKAAMN COc1ccc(C2=NN(C(=O)CN3CCC(Cc4ccccc4)CC3)[C@H](c3ccc4c(c3)OCO4)C2)cc1 ZINC000036341858 554221215 /nfs/dbraw/zinc/22/12/15/554221215.db2.gz MCIFHZDYXXQRBS-NDEPHWFRSA-N 0 1 511.622 5.056 50 0 KKAAMN COc1ccccc1C1=NN(C(=O)CN2CCC(Cc3ccccc3)CC2)[C@H](c2ccccc2Cl)C1 ZINC000036343937 554222366 /nfs/dbraw/zinc/22/23/66/554222366.db2.gz AUCYSILZISDWEZ-NDEPHWFRSA-N 0 1 502.058 5.981 50 0 KKAAMN COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN2CCC(Cc3ccccc3)CC2)c(OC)c1 ZINC000036344189 554222716 /nfs/dbraw/zinc/22/27/16/554222716.db2.gz NSZWIQUYJDSWBA-GDLZYMKVSA-N 0 1 515.629 5.475 50 0 KKAAMN Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(C[C@@H](O)COCc1ccccc1)CC1CC1 ZINC000036345940 554223629 /nfs/dbraw/zinc/22/36/29/554223629.db2.gz UWYYHCRJUNLKNW-GDLZYMKVSA-N 0 1 511.666 6.071 50 0 KKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](O)COCc1ccccc1 ZINC000036346050 554223671 /nfs/dbraw/zinc/22/36/71/554223671.db2.gz JTKQUIWZTZXMBU-AREMUKBSSA-N 0 1 503.618 5.902 50 0 KKAAMN CC(C)C[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000100178242 554241212 /nfs/dbraw/zinc/24/12/12/554241212.db2.gz SXAGVEHGYUSQRE-XHQAOKIUSA-N 0 1 562.497 5.555 50 0 KKAAMN CC(=O)N1c2cc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(Br)cc2C[C@@H]1C ZINC000040450571 554285453 /nfs/dbraw/zinc/28/54/53/554285453.db2.gz KLLMNFPRSVEZNC-VIFPVBQESA-N 0 1 511.747 5.220 50 0 KKAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(OC)c(Cl)c1)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000045912782 554313938 /nfs/dbraw/zinc/31/39/38/554313938.db2.gz IBNWTZLKWUOIQN-UHFFFAOYSA-N 0 1 527.134 6.031 50 0 KKAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1cc(F)ccc1F)C(c1ccc(Br)cc1)=N2 ZINC000045912823 554313950 /nfs/dbraw/zinc/31/39/50/554313950.db2.gz KLTDCPRZESXPFS-UHFFFAOYSA-N 0 1 521.431 5.112 50 0 KKAAMN CCCCOc1ccc(-c2cc(C(=O)Nc3nnc(SCc4ccc(Cl)cc4)s3)no2)cc1 ZINC000046086779 554320376 /nfs/dbraw/zinc/32/03/76/554320376.db2.gz ATECATGWDMUNDL-UHFFFAOYSA-N 0 1 501.033 6.570 50 0 KKAAMN CC(C)(C)c1cc(-n2c3ccccc3nc2-c2cc(Br)cc(Br)c2O)cc(C(C)(C)C)c1O ZINC000051103152 554328855 /nfs/dbraw/zinc/32/88/55/554328855.db2.gz RACYMPSFYGKFRO-UHFFFAOYSA-N 0 1 572.341 8.224 50 0 KKAAMN Fc1ccc(-c2nc(-c3cccc(-c4nc(-c5ccc(F)cc5)c(-c5ccccc5)[nH]4)c3)[nH]c2-c2ccccc2)cc1 ZINC000053335024 554340659 /nfs/dbraw/zinc/34/06/59/554340659.db2.gz PCMQUMICLKZIHS-UHFFFAOYSA-N 0 1 550.612 9.413 50 0 KKAAMN Fc1ccc(-c2nc(-c3cccc(-c4nc(-c5ccccc5)c(-c5ccc(F)cc5)[nH]4)c3)[nH]c2-c2ccccc2)cc1 ZINC000053335024 554340664 /nfs/dbraw/zinc/34/06/64/554340664.db2.gz PCMQUMICLKZIHS-UHFFFAOYSA-N 0 1 550.612 9.413 50 0 KKAAMN O=C1CCCCc2c3cc(C4CCCCC4)ccc3n(CCN(Cc3ccccc3)Cc3ccccc3)c21 ZINC000057142616 554352769 /nfs/dbraw/zinc/35/27/69/554352769.db2.gz QVXAFEVSMSVBOC-UHFFFAOYSA-N 0 1 504.718 8.301 50 0 KKAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)COc2ccc(Cl)c(C)c2)c1 ZINC000057222944 554352996 /nfs/dbraw/zinc/35/29/96/554352996.db2.gz GQDOWPKCVQCLLH-UHFFFAOYSA-N 0 1 522.045 5.165 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000100425625 554387055 /nfs/dbraw/zinc/38/70/55/554387055.db2.gz MNOOUPONVNFTJJ-RBBQXQBVSA-N 0 1 524.661 7.834 50 0 KKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C)cc3)C2)[C@@H]1c1cccc(Br)c1 ZINC000100426051 554387431 /nfs/dbraw/zinc/38/74/31/554387431.db2.gz FWTDSECUVYLWPJ-LGGPFLRQSA-N 0 1 515.451 7.718 50 0 KKAAMN COc1ccc([C@@H]2C3=C(C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1OC ZINC000100426147 554387664 /nfs/dbraw/zinc/38/76/64/554387664.db2.gz OILGGTNPLKLYOC-GJBXTBEHSA-N 0 1 550.699 7.961 50 0 KKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000100426481 554388358 /nfs/dbraw/zinc/38/83/58/554388358.db2.gz WMZYZNQIGJSTFK-WRGVRERRSA-N 0 1 517.025 7.317 50 0 KKAAMN COc1ccc([C@@H]2C3=C(C[C@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000100426665 554388747 /nfs/dbraw/zinc/38/87/47/554388747.db2.gz PLNAJBFJSDKEEW-NRUKRWIHSA-N 0 1 535.043 8.213 50 0 KKAAMN COc1ccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1OC ZINC000100429653 554390936 /nfs/dbraw/zinc/39/09/36/554390936.db2.gz BYARULXIBFHDEY-UGDMGKLASA-N 0 1 520.585 7.161 50 0 KKAAMN Cc1ccc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)c2c1 ZINC000059612221 554412412 /nfs/dbraw/zinc/41/24/12/554412412.db2.gz ZAEOWHMFGUTTLI-UHFFFAOYSA-N 0 1 553.600 5.090 50 0 KKAAMN Cc1ccc(Cl)cc1N1C(=O)C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@@H]1c1cccc(F)c1 ZINC000100584620 554426062 /nfs/dbraw/zinc/42/60/62/554426062.db2.gz KQGVFQWANVKWPB-SFTDATJTSA-N 0 1 572.634 7.154 50 0 KKAAMN Cc1c(Cl)cccc1N1C(=O)C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@@H]1c1ccc(F)cc1 ZINC000100584472 554426097 /nfs/dbraw/zinc/42/60/97/554426097.db2.gz IDPFROTYIUTFLJ-SFTDATJTSA-N 0 1 572.634 7.154 50 0 KKAAMN O=C1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@@H](c2cccc(F)c2)N1c1ccc(Cl)c(Cl)c1 ZINC000100585892 554426468 /nfs/dbraw/zinc/42/64/68/554426468.db2.gz BCNITSJOQAHEJF-WOJBJXKFSA-N 0 1 593.052 7.499 50 0 KKAAMN Cc1cc(Cl)ccc1N1C(=O)C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@@H]1c1cccc(F)c1 ZINC000100585840 554426474 /nfs/dbraw/zinc/42/64/74/554426474.db2.gz PJBVBEQPKMVHRU-LEWJYISDSA-N 0 1 572.634 7.154 50 0 KKAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2cccc(F)c2)cc1Cl ZINC000100584638 554426495 /nfs/dbraw/zinc/42/64/95/554426495.db2.gz WWTAUXYNGBQUEE-LEWJYISDSA-N 0 1 572.634 7.154 50 0 KKAAMN Cc1cccc2c1NC(=O)[C@@]21N2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@]12c1ccccc1NC2=O ZINC000059796308 554430772 /nfs/dbraw/zinc/43/07/72/554430772.db2.gz HTVNOZMEKLYJJG-HSUBUAJGSA-N 0 1 513.597 5.163 50 0 KKAAMN CCN1CCN(CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc43)c3sc4ccccc4c32)CC1 ZINC000100766433 554470342 /nfs/dbraw/zinc/47/03/42/554470342.db2.gz AATCBLYHOUOCTO-UHFFFAOYSA-N 0 1 582.726 5.241 50 0 in-vitro KKAAMN COc1ccc(C(=O)[C@H]2C(=C(O)c3ccccc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000100818036 554478505 /nfs/dbraw/zinc/47/85/05/554478505.db2.gz DUKPJCXXGSYSGR-YQQRZDPSSA-N 0 1 526.592 5.551 50 0 KKAAMN CCOC(C[N@@H+](C)[C@H](Cc1ccc(OC)c(OCc2ccccc2)c1)c1ccc(OC)c(OCc2ccccc2)c1)OCC ZINC000100818476 554478669 /nfs/dbraw/zinc/47/86/69/554478669.db2.gz OAMNGNQWYXUGQN-JGCGQSQUSA-N 0 1 599.768 7.477 50 0 KKAAMN O=C(Nc1ccccc1)[C@H]1[C@@H](C(=O)c2ccc(Cl)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000100870010 554497453 /nfs/dbraw/zinc/49/74/53/554497453.db2.gz JAKBBRWOUVTXDQ-VGBJTSDXSA-N 0 1 546.026 5.952 50 0 KKAAMN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CCN2CCCCC2)C(=O)c2ccc(Cl)c(Cl)c2)o1 ZINC000100884045 554508102 /nfs/dbraw/zinc/50/81/02/554508102.db2.gz OMSDQAGMUFVGTR-UHFFFAOYSA-N 0 1 556.534 6.094 50 0 KKAAMN COc1ccc([C@@H]2C=C(Nc3ccc(Br)cc3)C(=O)N2c2ccc(Br)cc2)cc1OC ZINC000100887278 554509065 /nfs/dbraw/zinc/50/90/65/554509065.db2.gz UVDTWYJQZXCMPE-NRFANRHFSA-N 0 1 544.243 6.313 50 0 KKAAMN COc1ccc2cc3cc(C(=O)NCC4CCN(Cc5cccc(Cl)c5)CC4)sc3nc2c1Cl ZINC000065330831 554526312 /nfs/dbraw/zinc/52/63/12/554526312.db2.gz FVJBJLKRDLOMIE-UHFFFAOYSA-N 0 1 514.478 6.407 50 0 KKAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Nc2nc(C)cc(Nc3ccc(C)cc3)n2)cc1 ZINC000100957627 554540665 /nfs/dbraw/zinc/54/06/65/554540665.db2.gz ZTBZSYNUXLMDAI-UHFFFAOYSA-N 0 1 568.497 6.543 50 0 KKAAMN Cc1ccc(C2=CSC3=NC4=C(CN(C)C/C4=C\c4ccc(Cl)cc4)[C@H](c4ccc(Cl)cc4)N23)cc1 ZINC000100987434 554548677 /nfs/dbraw/zinc/54/86/77/554548677.db2.gz JMFMRYMHVVWDKJ-ZYTZQALASA-N 0 1 530.524 8.043 50 0 KKAAMN COc1cc(Br)cc2c1OC1(CCN(Cc3ccccc3)CC1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 ZINC000100989570 554549823 /nfs/dbraw/zinc/54/98/23/554549823.db2.gz PDBWOFPXERRCHW-RUZDIDTESA-N 0 1 552.900 6.647 50 0 KKAAMN 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 554562692 /nfs/dbraw/zinc/56/26/92/554562692.db2.gz FNDYDIKFWGWYQF-XAEBNIDXSA-N 0 1 536.628 5.292 50 0 KKAAMN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000101091114 554582181 /nfs/dbraw/zinc/58/21/81/554582181.db2.gz AWTMRMZOPKALKI-NLDZOOGBSA-N 0 1 534.568 5.274 50 0 KKAAMN COc1cc([C@H]2C3=C(C[C@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(C)=O)cc(OC)c1OC ZINC000101100448 554587366 /nfs/dbraw/zinc/58/73/66/554587366.db2.gz VHMNAMFQQZFDIU-ICACTRECSA-N 0 1 554.687 7.580 50 0 KKAAMN COC(=O)c1c2c(sc1Nc1nc3ccccc3nc1N1CCN(C(c3ccccc3)c3ccccc3)CC1)CCCC2 ZINC000101101206 554588004 /nfs/dbraw/zinc/58/80/04/554588004.db2.gz WEPXIYBYEXWMMK-UHFFFAOYSA-N 0 1 589.765 7.012 50 0 KKAAMN Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c2ccc(F)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000101136518 554651603 /nfs/dbraw/zinc/65/16/03/554651603.db2.gz MBJUJLJVGBJFIE-JVPIYLDOSA-N 0 1 508.593 5.723 50 0 KKAAMN Cc1ccc(C(O)=C2[C@@H](C(=O)c3ccccc3)N3c4ccc(Cl)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000101180501 554666888 /nfs/dbraw/zinc/66/68/88/554666888.db2.gz LXVVKALZLAJWHU-WFPUBZAHSA-N 0 1 545.038 6.505 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2C(=C(O)c3ccccc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000101195701 554672351 /nfs/dbraw/zinc/67/23/51/554672351.db2.gz HUECZYILIZAWIY-RCFASBGUSA-N 0 1 538.647 6.550 50 0 KKAAMN CN(CCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101205616 554675631 /nfs/dbraw/zinc/67/56/31/554675631.db2.gz DBVANVNXSDDHHB-UXHMFTDJSA-N 0 1 634.777 5.149 50 0 biogenic KKAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1Br ZINC000101231990 554689485 /nfs/dbraw/zinc/68/94/85/554689485.db2.gz APJKPZYGRPGHCC-BDTNDASRSA-N 0 1 513.775 5.162 50 0 KKAAMN COc1cccc(OCCN2CCN(c3cc(C)nc4c(-c5ccc(F)cc5)c(C(F)(F)F)nn43)CC2)c1 ZINC000101249000 554693788 /nfs/dbraw/zinc/69/37/88/554693788.db2.gz XYMZLRUQDDEKGK-UHFFFAOYSA-N 0 1 529.538 5.072 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000101254796 554695476 /nfs/dbraw/zinc/69/54/76/554695476.db2.gz QXQKUXWRKLZDRH-MGBGTMOVSA-N 0 1 643.854 5.413 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000101254837 554695499 /nfs/dbraw/zinc/69/54/99/554695499.db2.gz HRRJHFLXBYGZKG-WJOKGBTCSA-N 0 1 617.791 5.153 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000101254785 554695515 /nfs/dbraw/zinc/69/55/15/554695515.db2.gz GJSMFBIFWMGJEU-WJOKGBTCSA-N 0 1 599.801 5.014 50 0 KKAAMN O=C(C[C@@H]1C(=O)N(c2cccc(Cl)c2)C(=S)N1CCCN1CCN(Cc2ccccc2)CC1)Nc1ccc(Cl)cc1 ZINC000101254887 554695844 /nfs/dbraw/zinc/69/58/44/554695844.db2.gz OFHKWQNSBJRKHM-MUUNZHRXSA-N 0 1 610.611 5.532 50 0 KKAAMN Cc1ccc(C2C(=O)C(=O)N(c3nc(SCc4c(F)cccc4Cl)n[nH]3)[C@H]2c2ccccc2F)cc1 ZINC000101298575 554712542 /nfs/dbraw/zinc/71/25/42/554712542.db2.gz KIFKERJCOVICBW-QFIPXVFZSA-N 0 1 524.980 6.394 50 0 KKAAMN COc1ccc(-c2[nH]c(-c3ccc(SC)cc3)nc2SCC(=O)Nc2ccc3c(c2)OCCO3)cc1OC ZINC000101305764 554715107 /nfs/dbraw/zinc/71/51/07/554715107.db2.gz ZFEMPIBIRKMIPJ-UHFFFAOYSA-N 0 1 549.674 5.985 50 0 KKAAMN CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@H]3c3cccc(F)c3)CC2)cc1 ZINC000101340999 554735314 /nfs/dbraw/zinc/73/53/14/554735314.db2.gz NMSYDVRHSNRGCB-GDLZYMKVSA-N 0 1 569.768 5.055 50 0 KKAAMN C[C@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000101341601 554735934 /nfs/dbraw/zinc/73/59/34/554735934.db2.gz ZUBFLAGZJNQECR-MYUZEXMDSA-N 0 1 596.577 5.453 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@H](C(=O)c2ccc(Cl)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000101342613 554736150 /nfs/dbraw/zinc/73/61/50/554736150.db2.gz BHYUNAMVVSPDAI-UUZIFAJNSA-N 0 1 539.075 6.627 50 0 KKAAMN COc1ccc(/C=C2\Sc3ccc(C(=O)NCCCN4CCN(c5cccc(Cl)c5)CC4)cc3N(C)C2=O)cc1OC ZINC000101374066 554745843 /nfs/dbraw/zinc/74/58/43/554745843.db2.gz NIPKTZCVRNGTGC-FSGOGVSDSA-N 0 1 607.176 5.409 50 0 KKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101377865 554747058 /nfs/dbraw/zinc/74/70/58/554747058.db2.gz ZZEIYOYISSKPHU-JCOAXYOVSA-N 0 1 554.643 6.681 50 0 KKAAMN CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CCN(Cc3ccccc3)C[C@@H]12 ZINC000101391720 554755490 /nfs/dbraw/zinc/75/54/90/554755490.db2.gz CSTFUZXEARCNQU-IAPPQJPRSA-N 0 1 549.900 5.759 50 0 KKAAMN CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1cc(C(F)(F)F)ccc1N1CCN(Cc3ccccc3)C[C@@H]12 ZINC000101391695 554755558 /nfs/dbraw/zinc/75/55/58/554755558.db2.gz IQGLJKGZLRIGOW-IXCJQBJRSA-N 0 1 539.001 6.015 50 0 KKAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@]1(CC(=O)N2)C(=O)N(Cc2ccc(F)cc2)c2c1cc(Cl)cc2Cl ZINC000101407973 554762766 /nfs/dbraw/zinc/76/27/66/554762766.db2.gz OOZKTIDUJLRIRA-AREMUKBSSA-N 0 1 563.380 5.118 50 0 KKAAMN Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(C)c1CCC(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000101419231 554766685 /nfs/dbraw/zinc/76/66/85/554766685.db2.gz JVQFIVIGXOMNNB-UHFFFAOYSA-N 0 1 565.549 5.581 50 0 KKAAMN COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4ccc(OC)c(OC)c4)CC3=O)Nc3ccccc3N2C(C)=O)cc1 ZINC000101443275 554773586 /nfs/dbraw/zinc/77/35/86/554773586.db2.gz OSZYHWAHVAQBIZ-RCRUUEGKSA-N 0 1 526.589 6.060 50 0 KKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1ccc(C(=O)OC)cc1 ZINC000101446643 554774089 /nfs/dbraw/zinc/77/40/89/554774089.db2.gz GHZRULBIJXTUMZ-GPNASLBKSA-N 0 1 536.672 7.731 50 0 KKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@H]3c2cccc(F)c2)cc1 ZINC000101453511 554776087 /nfs/dbraw/zinc/77/60/87/554776087.db2.gz MKJQRDXJZARWAB-BNHRFMORSA-N 0 1 518.588 7.698 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1ccc(F)cc1 ZINC000101462594 554779350 /nfs/dbraw/zinc/77/93/50/554779350.db2.gz BNMXIPLMYHEPFD-QCBOHVIISA-N 0 1 538.707 9.254 50 0 KKAAMN CCOc1cc([C@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1 ZINC000101477731 554782900 /nfs/dbraw/zinc/78/29/00/554782900.db2.gz OLYXMMKZOLFIFH-XOAACPPSSA-N 0 1 607.150 9.196 50 0 KKAAMN COCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COCc1ccco1 ZINC000101507060 554791189 /nfs/dbraw/zinc/79/11/89/554791189.db2.gz MLELMVZRPINDNJ-SSEXGKCCSA-N 0 1 589.777 5.546 50 0 KKAAMN O=C(CCCN1c2ccccc2Sc2ncccc2C1=O)NCC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000101590454 554802749 /nfs/dbraw/zinc/80/27/49/554802749.db2.gz KUSDNZBMYNWOAK-UHFFFAOYSA-N 0 1 535.113 5.655 50 0 KKAAMN O=C(NCCN1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O ZINC000101637767 554813847 /nfs/dbraw/zinc/81/38/47/554813847.db2.gz ANQCVBILRGEJQW-QLKFWGTOSA-N 0 1 613.183 5.215 50 0 KKAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)c3ccc(CS(=O)(=O)c4c(Cl)cccc4Cl)o3)CC2)c1 ZINC000101639998 554814316 /nfs/dbraw/zinc/81/43/16/554814316.db2.gz DRLULGBEZKCKME-UHFFFAOYSA-N 0 1 564.535 5.119 50 0 KKAAMN COc1ccccc1-c1nc2c3c(ncn2n1)Oc1c(c(C)nn1-c1ccc(Cl)cc1)C3c1ccccc1OC ZINC000101673261 554826929 /nfs/dbraw/zinc/82/69/29/554826929.db2.gz PQEAVMXYPYLYSB-VWLOTQADSA-N 0 1 551.006 6.242 50 0 KKAAMN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)CC(=O)N2 ZINC000101731605 554833482 /nfs/dbraw/zinc/83/34/82/554833482.db2.gz DILLMBNPWVXODZ-SFHVURJKSA-N 0 1 520.380 5.207 50 0 KKAAMN COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000101736761 554833923 /nfs/dbraw/zinc/83/39/23/554833923.db2.gz QCBKONNTXDMMSS-ZOYWYXQUSA-N 0 1 546.598 7.476 50 0 KKAAMN OC[C@H](Cc1ccccc1)N=c1c(N(C2CCCCC2)C2CCCCC2)c1N(C1CCCCC1)C1CCCCC1 ZINC000101772569 554837709 /nfs/dbraw/zinc/83/77/09/554837709.db2.gz DXMGBELJCUJNQN-LJAQVGFWSA-N 0 1 545.856 8.010 50 0 KKAAMN COc1ccc(CN2C[C@@H](Sc3nc(C)cc(C)n3)C[C@H]2C(=O)N2CCN(c3ccccc3F)CC2)c2ccccc12 ZINC000101953935 554853027 /nfs/dbraw/zinc/85/30/27/554853027.db2.gz CEIPUCPLTDWGBJ-QCDSWUKFSA-N 0 1 585.749 5.478 50 0 KKAAMN Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)CC1 ZINC000101978786 554863354 /nfs/dbraw/zinc/86/33/54/554863354.db2.gz RKNHBRWTSPBISK-LOYHVIPDSA-N 0 1 579.210 5.975 50 0 KKAAMN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccc(CC(C)C)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000102191192 554894256 /nfs/dbraw/zinc/89/42/56/554894256.db2.gz VOGAWMZZDGLQNQ-VIBCZQBBSA-N 0 1 566.701 7.050 50 0 KKAAMN CC(C)Cc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102191227 554894359 /nfs/dbraw/zinc/89/43/59/554894359.db2.gz PRZDKXSSSNBCCY-JVNOLKNPSA-N 0 1 552.674 6.741 50 0 KKAAMN CC(C)Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102191430 554894951 /nfs/dbraw/zinc/89/49/51/554894951.db2.gz QPAIKQZCNOUISO-OYTZIAQDSA-N 0 1 567.129 7.127 50 0 KKAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)c(Cl)c1)C(c1ccc(Br)cc1)=N2 ZINC000102244016 554903270 /nfs/dbraw/zinc/90/32/70/554903270.db2.gz LFTBJKAKSQPYRS-UHFFFAOYSA-N 0 1 537.886 5.627 50 0 KKAAMN Cc1ccsc1CN(Cc1ccc2c(c1)OCO2)C(=O)CN(CCN1CCCC1)C(=O)c1ccccc1Cl ZINC000102336214 554912615 /nfs/dbraw/zinc/91/26/15/554912615.db2.gz UBDGIKNQQJBQQC-UHFFFAOYSA-N 0 1 554.112 5.206 50 0 KKAAMN CCCOc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccc(OC)cc3)CC2=O)Nc2ccccc2N1C(=O)C(F)(F)F ZINC000102337236 554912968 /nfs/dbraw/zinc/91/29/68/554912968.db2.gz CXBDIHYALJHLJN-ACSYHNTCSA-N 0 1 550.577 7.596 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VPDWQCSGRSINMO-GHMVGRGESA-N 0 1 595.393 8.497 50 0 KKAAMN COc1ccc([C@H]2C3=C(C[C@@H](c4cccs4)CC3=O)Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000102640621 554990395 /nfs/dbraw/zinc/99/03/95/554990395.db2.gz WBWBVCDANWMVSI-QTEAWJPNSA-N 0 1 590.532 9.319 50 0 KKAAMN COCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COCC(C)C ZINC000102661949 555000704 /nfs/dbraw/zinc/00/07/04/555000704.db2.gz BGLJFUADGXHCHS-SSEXGKCCSA-N 0 1 565.799 5.409 50 0 KKAAMN COCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COc1ccccc1 ZINC000102661976 555000777 /nfs/dbraw/zinc/00/07/77/555000777.db2.gz LWOYYHVMOCKPJU-WJOKGBTCSA-N 0 1 585.789 5.815 50 0 KKAAMN Cc1c(Cl)cccc1-n1c(O)c2c(c1O)[C@H](c1cc3ccccc3nc1Cl)N(c1ccccc1)O2 ZINC000102727316 555022372 /nfs/dbraw/zinc/02/23/72/555022372.db2.gz XECHRCZXJANQFM-TZRRMPRUSA-N 0 1 504.373 5.901 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000102740126 555029152 /nfs/dbraw/zinc/02/91/52/555029152.db2.gz VEBFZECWXXXTMH-ZONZVBGPSA-N 0 1 521.013 5.969 50 0 KKAAMN COc1ccc(Br)cc1[C@@H]1c2c(O)n(-c3ccc(Cl)cc3)c(O)c2ON1c1ccccc1 ZINC000102758882 555050875 /nfs/dbraw/zinc/05/08/75/555050875.db2.gz OATLEPQUFIVYPC-YPAWHYETSA-N 0 1 513.775 5.162 50 0 KKAAMN O=C(NCCN1CCN(Cc2ccccc2)CC1)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000102770741 555058041 /nfs/dbraw/zinc/05/80/41/555058041.db2.gz RSROZDDXKBBNFY-BCJTWVECSA-N 0 1 607.154 5.854 50 0 KKAAMN O=C(NCCN1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2 ZINC000102784678 555067251 /nfs/dbraw/zinc/06/72/51/555067251.db2.gz UMCHSWMTOQKFPK-UHFFFAOYSA-N 0 1 597.184 6.199 50 0 KKAAMN Cc1cc(NS(=O)(=O)c2cc3c(cc2Br)CCN3C(=O)C2CC2)ccc1N1C(=O)c2ccc(Cl)cc2C1=O ZINC000102840161 555081212 /nfs/dbraw/zinc/08/12/12/555081212.db2.gz SDPFVPFRGGGCOT-UHFFFAOYSA-N 0 1 614.905 5.311 50 0 KKAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000102840027 555081303 /nfs/dbraw/zinc/08/13/03/555081303.db2.gz RFSYZUIEKFFPTC-AFMDSPMNSA-N 0 1 542.532 5.684 50 0 KKAAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)Cc3ccc(Cl)cc3)[C@@H]2c2ccc(OCc3ccccc3)cc2)C1 ZINC000102860331 555090365 /nfs/dbraw/zinc/09/03/65/555090365.db2.gz UEOKNLGLYVQLJH-PGUFJCEWSA-N 0 1 577.124 8.954 50 0 KKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cccs2)[C@@H]3c2cccs2)cc1OC ZINC000102865077 555094930 /nfs/dbraw/zinc/09/49/30/555094930.db2.gz YRHPUTDOZKKAFI-ADXZGYQBSA-N 0 1 542.682 7.691 50 0 KKAAMN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000102866345 555095552 /nfs/dbraw/zinc/09/55/52/555095552.db2.gz XDLGDMKLZCIDCX-NLDZOOGBSA-N 0 1 552.558 5.413 50 0 KKAAMN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@H]1c1ccc(Cl)cc1Cl ZINC000102872700 555103214 /nfs/dbraw/zinc/10/32/14/555103214.db2.gz DXODVFBYVWZZRH-WENCNXQZSA-N 0 1 533.499 8.861 50 0 KKAAMN CC(C)(C)c1cc([C@@H]2C3=C(C[C@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)c2cccs2)cc(C(C)(C)C)c1O ZINC000102873373 555103660 /nfs/dbraw/zinc/10/36/60/555103660.db2.gz QTMQDHPCMAQKHH-OHWKKVTOSA-N 0 1 622.806 10.052 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1cccc(F)c1 ZINC000102882592 555110699 /nfs/dbraw/zinc/11/06/99/555110699.db2.gz KAWNRLDCAWYLRS-JIYROHSKSA-N 0 1 512.625 7.965 50 0 KKAAMN 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 555121524 /nfs/dbraw/zinc/12/15/24/555121524.db2.gz KOCHPUKKFCJRIZ-WKLUVDBGSA-N 0 1 550.655 5.682 50 0 KKAAMN 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 555121879 /nfs/dbraw/zinc/12/18/79/555121879.db2.gz KOCHPUKKFCJRIZ-MNFIMQGSSA-N 0 1 550.655 5.682 50 0 KKAAMN COc1ccc(-c2nc(-c3ccc(-c4[nH]c(-c5ccc(OC)c(O)c5)nc4-c4ccccc4)cc3)c(-c3ccccc3)[nH]2)cc1O ZINC000102893014 555129646 /nfs/dbraw/zinc/12/96/46/555129646.db2.gz AOQNFTPEEIULHT-UHFFFAOYSA-N 0 1 606.682 8.563 50 0 KKAAMN COc1ccc(-c2nc(-c3ccc(-c4nc(-c5ccc(OC)c(O)c5)[nH]c4-c4ccccc4)cc3)c(-c3ccccc3)[nH]2)cc1O ZINC000102893014 555129647 /nfs/dbraw/zinc/12/96/47/555129647.db2.gz AOQNFTPEEIULHT-UHFFFAOYSA-N 0 1 606.682 8.563 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2C(=C(O)c3ccc(F)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000102893022 555129670 /nfs/dbraw/zinc/12/96/70/555129670.db2.gz OMWRNGACGBMPBK-RCFASBGUSA-N 0 1 556.637 6.689 50 0 KKAAMN Ic1ccc(N=[P@](c2ccccc2)([C@@H]2CCCC=C2N2CCOCC2)N2CCOCC2)cc1 ZINC000102945688 555171680 /nfs/dbraw/zinc/17/16/80/555171680.db2.gz HPCVIMORDGQJLI-NYFMKLKXSA-N 0 1 577.447 5.465 50 0 KKAAMN O=C(c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000102967457 555180416 /nfs/dbraw/zinc/18/04/16/555180416.db2.gz QDEXTRMOYPERFT-UHFFFAOYSA-N 0 1 580.537 6.342 50 0 KKAAMN O=C(c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000102967457 555180418 /nfs/dbraw/zinc/18/04/18/555180418.db2.gz QDEXTRMOYPERFT-UHFFFAOYSA-N 0 1 580.537 6.342 50 0 KKAAMN COc1ccc(-c2cc(C(=O)Nc3ccc(C)c(S(=O)(=O)Nc4ccccc4OC)c3)c3ccccc3n2)cc1 ZINC000102976326 555186327 /nfs/dbraw/zinc/18/63/27/555186327.db2.gz ZLVFHNYACUWAHC-UHFFFAOYSA-N 0 1 553.640 6.281 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000102984551 555190169 /nfs/dbraw/zinc/19/01/69/555190169.db2.gz TUHNOBSLWGKJCG-UKPGIYTDSA-N 0 1 514.622 7.427 50 0 KKAAMN S=c1n(CN2CCN(Cc3ccccc3)CC2)nc(-c2ccc(Cl)cc2)n1-c1ccc(Oc2ccccc2)cc1 ZINC000102991986 555192905 /nfs/dbraw/zinc/19/29/05/555192905.db2.gz HJOIEGUUWWXFFQ-UHFFFAOYSA-N 0 1 568.146 7.291 50 0 KKAAMN S=c1n(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)nc(Cc2cccs2)n1CCc1ccccc1 ZINC000102992007 555192978 /nfs/dbraw/zinc/19/29/78/555192978.db2.gz QWCHNFXBVVUXSC-UHFFFAOYSA-N 0 1 565.812 6.674 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(F)cc3)c2)c1 ZINC000102994424 555194692 /nfs/dbraw/zinc/19/46/92/555194692.db2.gz UGLDWEKOXJHDFT-UHFFFAOYSA-N 0 1 599.662 5.005 50 0 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CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000150410942 571483536 /nfs/dbraw/zinc/48/35/36/571483536.db2.gz MXBKJDWRKPKLPG-VFHLRKMQSA-N 0 1 683.676 11.102 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCCN2CCN(c3ccccc3)CC2)cc1 ZINC000150414585 571485120 /nfs/dbraw/zinc/48/51/20/571485120.db2.gz IJQMRYIFOLIOHA-SSEXGKCCSA-N 0 1 650.245 5.681 50 0 KKAAMN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)c(Cl)cc2Cl)cc1 ZINC000150416705 571485952 /nfs/dbraw/zinc/48/59/52/571485952.db2.gz HDUJQSZBCRFNQP-UHFFFAOYSA-N 0 1 648.974 5.120 50 0 KKAAMN COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCCN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000150418951 571486869 /nfs/dbraw/zinc/48/68/69/571486869.db2.gz XBCIQXZFQISVMN-NDEPHWFRSA-N 0 1 640.181 5.040 50 0 KKAAMN CCOc1cc([C@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)CC(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000150419809 571487200 /nfs/dbraw/zinc/48/72/00/571487200.db2.gz FDTZXCWWFQBVBO-WZLIKJJVSA-N 0 1 649.231 10.222 50 0 KKAAMN COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000150429429 571492785 /nfs/dbraw/zinc/49/27/85/571492785.db2.gz APVMKVHUFSDOSA-LUWBXXKHSA-N 0 1 650.728 7.602 50 0 KKAAMN CCOc1cc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=S)Nc2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000150431189 571493545 /nfs/dbraw/zinc/49/35/45/571493545.db2.gz QEEATVDLZSISFX-PGUFJCEWSA-N 0 1 638.233 9.981 50 0 KKAAMN COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](c4ccc(C)cc4)C3)[C@@H]2c2cccc(Br)c2)cc(OC)c1OC ZINC000150437103 571496593 /nfs/dbraw/zinc/49/65/93/571496593.db2.gz VTZYMDZMMIMYLW-ZWVRTZEQSA-N 0 1 653.573 8.647 50 0 KKAAMN Cc1ccc(C)c(CN2C(=O)/C(=C/c3ccc(C(=O)NCCCN4CCN(c5cc(Cl)ccc5C)CC4)cc3)Sc3ccccc32)c1 ZINC000150438281 571496784 /nfs/dbraw/zinc/49/67/84/571496784.db2.gz VBLVYOVSOYKURA-PNEAAFPUSA-N 0 1 665.303 7.887 50 0 KKAAMN CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)Nc2ccc(N3CCCCC3)c(S(=O)(=O)Nc3ccccc3OC)c2)c1 ZINC000150438309 571496838 /nfs/dbraw/zinc/49/68/38/571496838.db2.gz VCFXBTPZSIQKBA-UHFFFAOYSA-N 0 1 683.897 5.759 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N(C)c3c(C)n(C)n(-c4ccccc4)c3=O)c2)ccc1N1CCCCC1 ZINC000150438368 571497088 /nfs/dbraw/zinc/49/70/88/571497088.db2.gz YFLCWMWAQGNBBB-UHFFFAOYSA-N 0 1 744.896 5.362 50 0 KKAAMN COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(N3CCCCC3)c(S(=O)(=O)Nc3ccccc3OC)c2)c1 ZINC000150438394 571497116 /nfs/dbraw/zinc/49/71/16/571497116.db2.gz KONIJLBMHJIWPM-UHFFFAOYSA-N 0 1 637.762 6.600 50 0 KKAAMN COc1cc([C@H]2C3=C(C[C@H](c4cccc(F)c4)CC3=O)Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000150439941 571497694 /nfs/dbraw/zinc/49/76/94/571497694.db2.gz BGYCHNWMNWNDNR-KGMZSHBCSA-N 0 1 662.545 9.414 50 0 KKAAMN COc1cc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(Cl)c2)cc(OC)c1OC ZINC000150440240 571497801 /nfs/dbraw/zinc/49/78/01/571497801.db2.gz QNFYXZLNIRQJDK-PKTZIBPZSA-N 0 1 644.722 7.041 50 0 KKAAMN COc1cc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000150440261 571497880 /nfs/dbraw/zinc/49/78/80/571497880.db2.gz UXOBXWGDZCVSBM-YADHBBJMSA-N 0 1 665.140 7.386 50 0 KKAAMN Ic1cccc(-c2nc(-c3ccc(-c4ccc(C5=NC(c6cccc(I)c6)=N[C@H]5c5ccccc5)cc4)cc3)c(-c3ccccc3)[nH]2)c1 ZINC000150451908 571503177 /nfs/dbraw/zinc/50/31/77/571503177.db2.gz VSXZKNTUHIWZJD-QNGWXLTQSA-N 0 1 842.522 11.278 50 0 KKAAMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(OCC(=O)Nc4ccc(OC)cc4)c(OC)c3)ccc2OC)cc1 ZINC000150452731 571503392 /nfs/dbraw/zinc/50/33/92/571503392.db2.gz ZTEUIOQJZZNYOS-UHFFFAOYSA-N 0 1 635.695 5.182 50 0 KKAAMN COc1ccc(Br)cc1[C@H]1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)C(=O)N1c1ccc(C)c(Cl)c1 ZINC000150453579 571503639 /nfs/dbraw/zinc/50/36/39/571503639.db2.gz ANGSSQIWVFSGMI-FCHUYYIVSA-N 0 1 663.566 7.786 50 0 KKAAMN COc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(OC)c(S(=O)(=O)Nc4ccc(OC)c(Br)c4)c3)cc2)cc1 ZINC000150453649 571503729 /nfs/dbraw/zinc/50/37/29/571503729.db2.gz KDMWAGDLDRTUHN-UHFFFAOYSA-N 0 1 676.567 5.329 50 0 KKAAMN COc1cc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cc(F)ccc2C)cc(OC)c1OC ZINC000150455864 571504618 /nfs/dbraw/zinc/50/46/18/571504618.db2.gz FTIBWEUUPGBKBX-PKTZIBPZSA-N 0 1 628.267 6.526 50 0 KKAAMN O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1[C@H](C(=O)c2ccc3c(c2)OCO3)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000150536081 571520469 /nfs/dbraw/zinc/52/04/69/571520469.db2.gz XDROSPZFMAZBPF-VCQQFVOTSA-N 0 1 646.699 6.721 50 0 KKAAMN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000150653884 571526289 /nfs/dbraw/zinc/52/62/89/571526289.db2.gz ZXPRMRWMMPZQED-AVFXGLFGSA-N 0 1 670.851 5.470 50 0 biogenic KKAAMN O=C(NCc1ccccc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169677609 571555066 /nfs/dbraw/zinc/55/50/66/571555066.db2.gz GIMKUDMQJZCYDI-AHWVRZQESA-N 0 1 513.991 5.538 50 0 KKAAMN CC(C)c1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)C[C@@H]1C ZINC000169680836 571556896 /nfs/dbraw/zinc/55/68/96/571556896.db2.gz HNWYPQMPLZHZNV-CAQRMWTPSA-N 0 1 590.809 7.236 50 0 KKAAMN CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC(=O)C5CC5)ncn4)cc3)cc2C(F)(F)F)CC1 ZINC000207333873 571573300 /nfs/dbraw/zinc/57/33/00/571573300.db2.gz KIKOYRNAERIVSJ-UHFFFAOYSA-N 0 1 569.588 5.028 50 0 in-vitro KKAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2ccc(OCC(C)C)c(OC)c2)cc1OC ZINC000263585564 572119262 /nfs/dbraw/zinc/11/92/62/572119262.db2.gz KCCLHZXDYJOFDN-IBGZPJMESA-N 0 1 546.572 5.667 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)Nc3ccc4nc(CCc5ccccc5)[nH]c4c3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263585955 572121048 /nfs/dbraw/zinc/12/10/48/572121048.db2.gz OEYQEKBCVARNGX-ZTOMLWHTSA-N 0 1 675.786 5.964 50 0 KKAAMN COC(=O)c1cc(C(=O)OC)cc(-c2ccc([C@H]3CC(=O)Oc4cc(=O)c5c(O)c(-c6ccc(OC)c(OC)c6)coc-5c43)o2)c1 ZINC000263586610 572124234 /nfs/dbraw/zinc/12/42/34/572124234.db2.gz WDBMFVQERIDONC-HXUWFJFHSA-N 0 1 626.570 5.457 50 0 KKAAMN O=C(COc1ccc(-c2ncccn2)cc1CN1CCc2ccccc2C1)N1CCC[C@H](c2ccccc2)CC1 ZINC000299781973 572136270 /nfs/dbraw/zinc/13/62/70/572136270.db2.gz VDKPDWXMGHWMQB-MHZLTWQESA-N 0 1 532.688 5.877 50 0 KKAAMN CCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000226815475 572142109 /nfs/dbraw/zinc/14/21/09/572142109.db2.gz WESRLCLWSYRRLZ-JIMJEQGWSA-N 0 1 506.986 5.579 50 0 KKAAMN CC(=O)[C@@H]1[C@H](C(=O)c2ccc(CC(C)C)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(F)ccc3N21 ZINC000226837910 572143432 /nfs/dbraw/zinc/14/34/32/572143432.db2.gz GLZOPFJFOAVXLU-MLSLEFIRSA-N 0 1 508.593 5.586 50 0 KKAAMN O=C(c1ccccc1F)[C@@H]1C(=C(O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000226922449 572145154 /nfs/dbraw/zinc/14/51/54/572145154.db2.gz JWRRNYZTZWGEFD-NBJHOTSESA-N 0 1 514.556 5.682 50 0 KKAAMN COc1cccc(C(O)=C2[C@@H](C(=O)c3ccccc3)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000227083695 572149788 /nfs/dbraw/zinc/14/97/88/572149788.db2.gz HYJFNQZOYUKNBF-RCFASBGUSA-N 0 1 554.646 6.250 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2C(=C(O)c3ccccc3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000227295876 572153404 /nfs/dbraw/zinc/15/34/04/572153404.db2.gz HUECZYILIZAWIY-ZHTWWQSJSA-N 0 1 538.647 6.550 50 0 KKAAMN C[C@@H]1CCC[C@@H](NC(=O)c2ccc(Cn3c(=O)c4cc(Br)ccc4[nH]c3=S)cc2)[C@H]1C ZINC000334158853 572153539 /nfs/dbraw/zinc/15/35/39/572153539.db2.gz RDUFJXLMSGZAHJ-QEEYODRMSA-N 0 1 500.462 5.051 50 0 KKAAMN O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1[C@H](C(=O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000229877881 572164513 /nfs/dbraw/zinc/16/45/13/572164513.db2.gz HFKVUXRQAYZYBS-URSNNPPXSA-N 0 1 681.586 7.755 50 0 KKAAMN O=C(c1ccccc1)[C@@H]1C(=C(O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N21 ZINC000229897833 572166822 /nfs/dbraw/zinc/16/68/22/572166822.db2.gz REYGPJKHQQHCIW-CILKRHGOSA-N 0 1 531.011 6.196 50 0 KKAAMN CC(C)(C)C(=O)[C@@H]1C(=C(O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000229927615 572170898 /nfs/dbraw/zinc/17/08/98/572170898.db2.gz PUZOFRLPUMZEQT-GURVGDRESA-N 0 1 589.917 6.691 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3ccc(OC)c(OC)c3)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229929799 572170912 /nfs/dbraw/zinc/17/09/12/572170912.db2.gz RZDHPPMODFUPJA-FJLMOIIKSA-N 0 1 586.644 5.569 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(=C(O)c1ccc3c(c1)OCO3)[C@@]21C(=O)Nc2ccccc21 ZINC000229937939 572171975 /nfs/dbraw/zinc/17/19/75/572171975.db2.gz GUAGTPGUTGYUGT-DDWAFBAVSA-N 0 1 554.602 5.662 50 0 KKAAMN CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229946782 572173049 /nfs/dbraw/zinc/17/30/49/572173049.db2.gz PWVNPKHAWAWJDD-HMYMNELBSA-N 0 1 553.102 6.881 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccc3c(c2)OCO3)[C@]12C(=O)Nc1ccccc12 ZINC000229959303 572173820 /nfs/dbraw/zinc/17/38/20/572173820.db2.gz XCICHDJMQPMFRE-IMRGVNHMSA-N 0 1 568.629 5.970 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(=C(O)c1ccc(F)cc1)[C@@]21C(=O)Nc2ccccc21 ZINC000229972271 572176097 /nfs/dbraw/zinc/17/60/97/572176097.db2.gz RINIXDQMIPUUAD-DCMQHHMNSA-N 0 1 528.583 6.072 50 0 KKAAMN CC(C)(C)C(=O)[C@@H]1C(=C(O)c2ccc(Cl)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000230017526 572179119 /nfs/dbraw/zinc/17/91/19/572179119.db2.gz AOQJUWHDEYTHRR-GURVGDRESA-N 0 1 545.466 6.582 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3cccc(OC)c3)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000230029519 572180235 /nfs/dbraw/zinc/18/02/35/572180235.db2.gz RZCCVEZFKPYESN-KVOHOPFUSA-N 0 1 556.618 5.560 50 0 KKAAMN CCCCN(CCNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1)Cc1ccco1 ZINC000230077066 572182705 /nfs/dbraw/zinc/18/27/05/572182705.db2.gz ALWRIKVPWYIDRQ-SXOMAYOGSA-N 0 1 507.700 5.696 50 0 KKAAMN O=C(c1ccccc1Cl)[C@@H]1C(=C(O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000245240085 572213554 /nfs/dbraw/zinc/21/35/54/572213554.db2.gz LEOQLMIJLWMJNP-CILKRHGOSA-N 0 1 531.011 6.196 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)[C@@H](C(=O)c1ccc(CC(C)C)cc1)[C@@]21C(=O)Nc2ccccc21 ZINC000245245684 572217826 /nfs/dbraw/zinc/21/78/26/572217826.db2.gz FXHZZFGCWKLNBS-ZHTWWQSJSA-N 0 1 572.730 7.193 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(=C(O)c1ccc3c(c1)OCO3)[C@]21C(=O)Nc2ccccc21 ZINC000245245652 572217871 /nfs/dbraw/zinc/21/78/71/572217871.db2.gz FPLRWFVCYHKRFR-AGKKXDHOSA-N 0 1 560.631 5.723 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccc(C)cc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245246117 572218705 /nfs/dbraw/zinc/21/87/05/572218705.db2.gz IYAXPSHEPWJHMB-IANDGLOUSA-N 0 1 560.675 6.311 50 0 KKAAMN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccc(Br)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000245246448 572219460 /nfs/dbraw/zinc/21/94/60/572219460.db2.gz LWEZLELYEWSZIC-DCMQHHMNSA-N 0 1 589.489 6.614 50 0 KKAAMN Cc1ccc2c(c1)N1[C@H](C(=O)c3ccccc3)C(=C(O)c3ccc(Br)cc3)[C@]3(C(=O)Nc4ccccc43)[C@@H]1C=C2 ZINC000245247163 572220406 /nfs/dbraw/zinc/22/04/06/572220406.db2.gz QTHCPGDTQYIYRO-CTMYTVLESA-N 0 1 589.489 6.614 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(=C(O)c1ccc(Br)cc1)[C@]21C(=O)Nc2ccccc21 ZINC000245247964 572221492 /nfs/dbraw/zinc/22/14/92/572221492.db2.gz ZWUKXFVQPKWIQI-BQUCCUTGSA-N 0 1 595.518 6.757 50 0 KKAAMN Cc1ccc2c(c1)N1[C@H](C(=O)c3ccccc3)C(=C(O)c3ccc(F)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]1C=C2 ZINC000245309136 572227139 /nfs/dbraw/zinc/22/71/39/572227139.db2.gz BORWYOQJADXEQG-AOFBEVEVSA-N 0 1 528.583 5.990 50 0 KKAAMN CC(=O)[C@@H]1[C@H](C(=O)c2ccc(CC(C)C)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(F)ccc3N21 ZINC000245309969 572227547 /nfs/dbraw/zinc/22/75/47/572227547.db2.gz GLZOPFJFOAVXLU-NGAUBYBASA-N 0 1 508.593 5.586 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1Cl)C(=C(O)c1ccccc1)[C@@]21C(=O)Nc2ccccc21 ZINC000245310370 572227991 /nfs/dbraw/zinc/22/79/91/572227991.db2.gz IMJXXWXDHQVWRC-AOFBEVEVSA-N 0 1 545.038 6.586 50 0 KKAAMN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccc(Cl)cc2)C(=C(O)c2ccccc2)[C@@]12C(=O)Nc1ccccc12 ZINC000245310316 572227997 /nfs/dbraw/zinc/22/79/97/572227997.db2.gz IDJVIDHNCGZBPO-AOFBEVEVSA-N 0 1 545.038 6.505 50 0 KKAAMN CC(=O)[C@@H]1C(=C(O)c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000245312040 572229849 /nfs/dbraw/zinc/22/98/49/572229849.db2.gz RXRRNGSZPYTQOJ-NXNJFABFSA-N 0 1 503.385 5.556 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccncc2)[C@@]12C(=O)Nc1ccccc12 ZINC000245313089 572230981 /nfs/dbraw/zinc/23/09/81/572230981.db2.gz ZWIGVAWXIVDOOY-DCMQHHMNSA-N 0 1 525.608 5.636 50 0 KKAAMN CCCOc1ccc(-n2c(O)c3c(c2O)[C@@H](c2cc4ccccc4nc2Cl)N(c2ccccc2)O3)cc1 ZINC000245325938 572231892 /nfs/dbraw/zinc/23/18/92/572231892.db2.gz HZSICYNQWBCOCM-TWJOJJKGSA-N 0 1 513.981 5.728 50 0 KKAAMN CCCCCc1ccc(C(O)=C2[C@H](C(=O)c3ccc(OC(C)=O)cc3)N3c4ccccc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245327307 572233671 /nfs/dbraw/zinc/23/36/71/572233671.db2.gz ODLMDFGRYDHVQJ-MRIQTALFSA-N 0 1 624.737 7.201 50 0 KKAAMN C[C@H]1CN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000245343192 572237676 /nfs/dbraw/zinc/23/76/76/572237676.db2.gz HSCHHAAYXUKTPQ-UZTOHYMASA-N 0 1 574.644 6.008 50 0 KKAAMN Cc1ccc(C(=O)N(CC(C)C)C[C@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3)C[C@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000245343313 572238091 /nfs/dbraw/zinc/23/80/91/572238091.db2.gz LRLFKNQGLFKLBZ-UHSQPCAPSA-N 0 1 576.625 8.047 50 0 KKAAMN O=C(Nc1cccc(Cl)c1)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247490897 572242431 /nfs/dbraw/zinc/24/24/31/572242431.db2.gz MMMBVLQYOTVKMC-GOSISDBHSA-N 0 1 523.862 6.292 50 0 KKAAMN O=C(NCc1ccccc1Cl)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247496641 572242568 /nfs/dbraw/zinc/24/25/68/572242568.db2.gz OJULPNNZVZVZOL-HXUWFJFHSA-N 0 1 537.889 5.970 50 0 KKAAMN O=C(NCc1ccccc1Cl)[C@H]1CCCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247524210 572242859 /nfs/dbraw/zinc/24/28/59/572242859.db2.gz YTLHLQORJMVPHZ-QFIPXVFZSA-N 0 1 507.465 5.920 50 0 KKAAMN O=C(Nc1cccc2ccccc21)[C@H]1CCCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247720644 572243844 /nfs/dbraw/zinc/24/38/44/572243844.db2.gz AFFDGHSTNVOXTN-DEOSSOPVSA-N 0 1 509.053 6.742 50 0 KKAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N(C1CCCCC1)C1CCCCC1 ZINC000247807914 572245290 /nfs/dbraw/zinc/24/52/90/572245290.db2.gz CISIYSQRBAOILC-SANMLTNESA-N 0 1 547.187 7.444 50 0 KKAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccc(F)c(Cl)c2)CC1 ZINC000247847207 572246354 /nfs/dbraw/zinc/24/63/54/572246354.db2.gz HKVKIARSJWROSW-HSZRJFAPSA-N 0 1 580.535 6.091 50 0 KKAAMN O=C(c1ccccc1)[C@@H]1C(=C(O)c2ccc(F)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000247855024 572246590 /nfs/dbraw/zinc/24/65/90/572246590.db2.gz JCYGMPZIRVWNQW-YGGCMVMVSA-N 0 1 514.556 5.682 50 0 KKAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccc(F)cc2F)CC1 ZINC000247862331 572246918 /nfs/dbraw/zinc/24/69/18/572246918.db2.gz NADPNDWLHOFCLR-NRFANRHFSA-N 0 1 533.598 5.004 50 0 KKAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000247868426 572247150 /nfs/dbraw/zinc/24/71/50/572247150.db2.gz PPUDDIXEGOGHDU-OAQYLSRUSA-N 0 1 566.508 6.032 50 0 KKAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2ccc(F)cc2F)CC1 ZINC000247870902 572247240 /nfs/dbraw/zinc/24/72/40/572247240.db2.gz QOOKZSPZWKPEJC-NRFANRHFSA-N 0 1 594.504 5.627 50 0 KKAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000247876010 572247584 /nfs/dbraw/zinc/24/75/84/572247584.db2.gz TWVVAIDTKZATTP-DEOSSOPVSA-N 0 1 562.545 5.952 50 0 KKAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2ccc(F)c(Cl)c2)CC1 ZINC000247879918 572247820 /nfs/dbraw/zinc/24/78/20/572247820.db2.gz VGURLSAZYRXRIZ-OAQYLSRUSA-N 0 1 610.959 6.141 50 0 KKAAMN Cc1ccc(NC(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)c(C)c1 ZINC000247876259 572247982 /nfs/dbraw/zinc/24/79/82/572247982.db2.gz ONLVXUZMKTUAIB-NRFANRHFSA-N 0 1 517.471 6.256 50 0 KKAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2ccc(F)c(Cl)c2)CC1 ZINC000247877830 572248119 /nfs/dbraw/zinc/24/81/19/572248119.db2.gz UNBFEPGUCWDJKK-NRFANRHFSA-N 0 1 610.959 6.141 50 0 KKAAMN Cc1ccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)c(C)c1 ZINC000247899965 572248913 /nfs/dbraw/zinc/24/89/13/572248913.db2.gz YYXBDPLOLUMWHF-RUZDIDTESA-N 0 1 586.578 5.966 50 0 KKAAMN Cc1cccc(NC(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)c1 ZINC000247989278 572251569 /nfs/dbraw/zinc/25/15/69/572251569.db2.gz LULIRUGBZXRONU-FQEVSTJZSA-N 0 1 503.444 5.947 50 0 KKAAMN CC1=NN(c2ccc(C)cc2)C(=O)[C@]12Cc1cc(C(F)(F)F)ccc1N1CCN(Cc3ccccc3)C[C@H]12 ZINC000247996691 572251573 /nfs/dbraw/zinc/25/15/73/572251573.db2.gz DCDZBOZBYSWDEO-LMSSTIIKSA-N 0 1 518.583 5.670 50 0 KKAAMN CC(C)n1c2ccccc2nc1CN1CCC[C@@H](C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C1 ZINC000247988391 572251639 /nfs/dbraw/zinc/25/16/39/572251639.db2.gz JJRCCTFTUSETBN-HXUWFJFHSA-N 0 1 542.511 5.121 50 0 KKAAMN Cc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000248001087 572251863 /nfs/dbraw/zinc/25/18/63/572251863.db2.gz SNPCNGLWMXRAOE-HXUWFJFHSA-N 0 1 503.444 5.947 50 0 KKAAMN Cc1ccccc1NC(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000248001087 572251865 /nfs/dbraw/zinc/25/18/65/572251865.db2.gz SNPCNGLWMXRAOE-HXUWFJFHSA-N 0 1 503.444 5.947 50 0 KKAAMN Cc1cccc(CCNC(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)c1 ZINC000248056524 572252956 /nfs/dbraw/zinc/25/29/56/572252956.db2.gz CEWAAOKDMKQCRY-RUZDIDTESA-N 0 1 501.074 5.617 50 0 KKAAMN Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)cc1 ZINC000248079232 572253219 /nfs/dbraw/zinc/25/32/19/572253219.db2.gz IKDJTOWLLYGFOD-QFIPXVFZSA-N 0 1 517.471 5.625 50 0 KKAAMN Cc1ccc(CNC(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)cc1 ZINC000248079232 572253220 /nfs/dbraw/zinc/25/32/20/572253220.db2.gz IKDJTOWLLYGFOD-QFIPXVFZSA-N 0 1 517.471 5.625 50 0 KKAAMN Cc1ccc(N2CCN(C(=O)[C@H]3CCCN(Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)cc1 ZINC000248126167 572254475 /nfs/dbraw/zinc/25/44/75/572254475.db2.gz UWHGQZGOXKYVSK-DEOSSOPVSA-N 0 1 511.645 5.034 50 0 KKAAMN Cc1cccc(N2CCN(C(=O)[C@H]3CCCN(Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)c1C ZINC000248153962 572255800 /nfs/dbraw/zinc/25/58/00/572255800.db2.gz KXGNXBCVZSIKDM-VWLOTQADSA-N 0 1 586.578 5.966 50 0 KKAAMN C[C@H](NC(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)c1ccccc1 ZINC000248262279 572257533 /nfs/dbraw/zinc/25/75/33/572257533.db2.gz RCSJLSWMZMUQPD-RBBKRZOGSA-N 0 1 517.471 5.877 50 0 KKAAMN CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C(C)=C[C@@H]3[C@]23c2ccccc2NC3=O)cc1 ZINC000248269695 572257590 /nfs/dbraw/zinc/25/75/90/572257590.db2.gz PSPQXTVPIFUNTA-IRYJCKHSSA-N 0 1 532.684 6.618 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@H](C(=O)c2ccc3c(c2)OCO3)[C@]12c1ccccc1NC2=O ZINC000248269668 572257668 /nfs/dbraw/zinc/25/76/68/572257668.db2.gz PRJYDBXFTUUXMI-UQKZMZALSA-N 0 1 548.639 5.702 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccc4c(c3)OCO4)[C@@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)c1 ZINC000248331072 572258177 /nfs/dbraw/zinc/25/81/77/572258177.db2.gz GMPLVWGCLIWWDZ-HXBWQCRLSA-N 0 1 584.628 5.670 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3cccc(OC)c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)c1 ZINC000248329676 572258203 /nfs/dbraw/zinc/25/82/03/572258203.db2.gz DRZDKYKOOMXBJK-CWDXJPQLSA-N 0 1 570.645 5.950 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(=C(O)c1ccc(F)cc1)[C@]21C(=O)Nc2ccccc21 ZINC000248338465 572258427 /nfs/dbraw/zinc/25/84/27/572258427.db2.gz RINIXDQMIPUUAD-YUAOJYLXSA-N 0 1 528.583 6.072 50 0 KKAAMN CCc1cccc(NC(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)c1 ZINC000252007405 572259791 /nfs/dbraw/zinc/25/97/91/572259791.db2.gz PQYGQNYRYYTAHV-OAQYLSRUSA-N 0 1 517.471 6.201 50 0 KKAAMN CCCc1ccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)cc1 ZINC000252257109 572260033 /nfs/dbraw/zinc/26/00/33/572260033.db2.gz MXTDDQFIHPJAEE-AREMUKBSSA-N 0 1 539.699 5.678 50 0 KKAAMN CN(C)[C@H](CNC(=O)COc1ccc([C@@H]2CC[C@@H](N(C)C(=O)c3ccc(Cl)cc3)CC2)cc1)c1cccs1 ZINC000252511177 572262076 /nfs/dbraw/zinc/26/20/76/572262076.db2.gz DRCOCFDINNOWNZ-FZBZCGEPSA-N 0 1 554.156 5.998 50 0 KKAAMN CCOc1ccc2c(c1)-c1c(ssc1=Nc1ccc(S(=O)(=O)Nc3ncccn3)cc1)C(C)(C)N2 ZINC000252666130 572272767 /nfs/dbraw/zinc/27/27/67/572272767.db2.gz AOVDEJYQLGTJOE-UHFFFAOYSA-N 0 1 525.681 5.359 50 0 KKAAMN COc1cc([C@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(Cl)cc5)coc-4c32)cc2c1OCCO2 ZINC000253397895 572284325 /nfs/dbraw/zinc/28/43/25/572284325.db2.gz BQXCRGMFSCPDOG-MRXNPFEDSA-N 0 1 506.894 5.040 50 0 KKAAMN COc1ccc(CCOc2c(OC)cccc2[C@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(Cl)cc5)coc-4c32)cc1 ZINC000253408546 572287021 /nfs/dbraw/zinc/28/70/21/572287021.db2.gz KVLGIWVMRWRSNE-XMMPIXPASA-N 0 1 599.035 6.899 50 0 KKAAMN COc1ccc2nc(N3CCOCC3)c([C@@H]3CC(=O)Oc4cc(=O)c5c(O)c(-c6ccc(Cl)cc6)coc-5c43)cc2c1 ZINC000253414059 572288653 /nfs/dbraw/zinc/28/86/53/572288653.db2.gz WIRSKEVYAYYJDP-NRFANRHFSA-N 0 1 585.012 5.653 50 0 KKAAMN COc1cc([C@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)c2c(O)cc(C)oc2=O)cc(OC)c1OC ZINC000253470813 572289528 /nfs/dbraw/zinc/28/95/28/572289528.db2.gz FXZJRQGOIKQAQP-HNNXBMFYSA-N 0 1 508.354 5.147 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccccc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4cc(C)ccc4N32)c1 ZINC000253487698 572290798 /nfs/dbraw/zinc/29/07/98/572290798.db2.gz OHFUJNZLLGQHOQ-HXBWQCRLSA-N 0 1 554.646 6.250 50 0 KKAAMN CCOC(=O)c1c(C)n(-c2ccc(Cl)cc2)c2cc(Br)c(OCc3n[nH]c(=S)n3-c3ccccc3)cc21 ZINC000253598815 572300720 /nfs/dbraw/zinc/30/07/20/572300720.db2.gz HOYSDBLNJDVKKY-UHFFFAOYSA-N 0 1 597.922 7.354 50 0 KKAAMN CCCc1ccc(N2CCN(C(=O)[C@H]3CCCN(Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)cc1 ZINC000253607351 572300870 /nfs/dbraw/zinc/30/08/70/572300870.db2.gz OSXGUIWLZRQMGJ-SANMLTNESA-N 0 1 600.605 6.301 50 0 KKAAMN COc1ccc(Cn2c(CN3CCC[C@H](C(=O)N4CCN(c5ccccc5C(C)C)CC4)C3)nc3ccccc32)cc1 ZINC000253607302 572300891 /nfs/dbraw/zinc/30/08/91/572300891.db2.gz JIGQNJSRPRNCGE-NDEPHWFRSA-N 0 1 565.762 5.777 50 0 KKAAMN COc1ccc(Cn2c(CN3CCC[C@@H](C(=O)N4CCN(c5ccc(C(C)C)cc5)CC4)C3)nc3ccccc32)cc1 ZINC000253607333 572300921 /nfs/dbraw/zinc/30/09/21/572300921.db2.gz MPZNZGJJCVCKEU-GDLZYMKVSA-N 0 1 565.762 5.777 50 0 KKAAMN CC(C)c1ccc(NC(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1 ZINC000253607651 572301060 /nfs/dbraw/zinc/30/10/60/572301060.db2.gz PJDAZNDJWUZZFV-QFIPXVFZSA-N 0 1 531.498 6.762 50 0 KKAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccccc2Cl)CC1 ZINC000253616774 572301448 /nfs/dbraw/zinc/30/14/48/572301448.db2.gz DLUUMPUNLQOEHY-DEOSSOPVSA-N 0 1 562.545 5.952 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CCSC)C(=O)Nc3n[nH]c(CCC4CCCC4)n3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409413151 1069808111 /nfs/dbraw/zinc/80/81/11/1069808111.db2.gz APCHDXMNBDNJEN-XNMGPUDCSA-N 0 1 678.856 5.276 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CCSC)C(=O)Nc3nc(CCC4CCCC4)n[nH]3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409413151 1069808123 /nfs/dbraw/zinc/80/81/23/1069808123.db2.gz APCHDXMNBDNJEN-XNMGPUDCSA-N 0 1 678.856 5.276 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)Nc3n[nH]c(CCC4CCCC4)n3)C(C)C)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409413708 1069809657 /nfs/dbraw/zinc/80/96/57/1069809657.db2.gz SQNZABIPTKALOQ-NJHZRGNWSA-N 0 1 646.789 5.179 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)Nc3nc(CCC4CCCC4)n[nH]3)C(C)C)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409413708 1069809686 /nfs/dbraw/zinc/80/96/86/1069809686.db2.gz SQNZABIPTKALOQ-NJHZRGNWSA-N 0 1 646.789 5.179 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)Nc3ccc4nc(C(C)C)[nH]c4c3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409414621 1069811014 /nfs/dbraw/zinc/81/10/14/1069811014.db2.gz NLZHCTXFAQIMEX-NAKRPHOHSA-N 0 1 673.836 6.035 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)Nc3ccc4nc(C)[nH]c4c3)C(C)C)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409415235 1069813084 /nfs/dbraw/zinc/81/30/84/1069813084.db2.gz XPRQINNUXKBVMF-XJFCNFDWSA-N 0 1 613.715 5.123 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@@H](C(=O)c3cccc(OC)c3)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000524735387 1069839388 /nfs/dbraw/zinc/83/93/88/1069839388.db2.gz ZFQGJWRMPKSSCL-QVJCSHTLSA-N 0 1 582.700 6.894 50 0 KKAAMN C[N@@H+](Cc1cccc(OC[C@@H]2CCCN(C(=O)c3ccc(-n4cccn4)cc3)C2)c1)Cc1ccc2ncccc2c1 ZINC000102229163 1069851047 /nfs/dbraw/zinc/85/10/47/1069851047.db2.gz QMOJNCKOGMUTAA-MUUNZHRXSA-N 0 1 545.687 5.984 50 0 KKAAMN COc1ccc2ccccc2c1CN1C[C@H](Sc2nc3ccccc3[nH]2)C[C@H]1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000102679402 1069862316 /nfs/dbraw/zinc/86/23/16/1069862316.db2.gz MWCYMGDUCKOUEJ-XJFCNFDWSA-N 0 1 595.744 5.948 50 0 KKAAMN COC(=O)C[C@@H](c1ccc(C(F)(F)F)cc1)c1c(O)c(C(C)=O)cc([C@@H]2OCc3cnc(C)c(O)c32)c1O ZINC000409415378 1070929282 /nfs/dbraw/zinc/92/92/82/1070929282.db2.gz DMIZCDRXPXQUFD-QYBDOPJKSA-N 0 1 531.483 5.043 50 0 KKAAMN CCOC(=O)c1c(NC=C2c3ccccc3C(=O)N(c3ccc(C(=O)OCC)cc3)C2=O)sc2c1CCN(CC)C2 ZINC000103004179 1070969088 /nfs/dbraw/zinc/96/90/88/1070969088.db2.gz NLLAMQKGDGFIRS-ULJHMMPZSA-N 0 1 573.671 5.120 50 0 KKAAMN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c(CCc2c[nH]c3ccccc23)n1 ZINC000888089320 1071059315 /nfs/dbraw/zinc/05/93/15/1071059315.db2.gz VIWPEBMGGLTDAF-YSKFDKHUSA-N 0 1 707.832 5.713 50 0 KKAAMN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(CCc2c[nH]c3ccccc23)n[nH]1 ZINC000888089320 1071059322 /nfs/dbraw/zinc/05/93/22/1071059322.db2.gz VIWPEBMGGLTDAF-YSKFDKHUSA-N 0 1 707.832 5.713 50 0 KKAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=O)/C=C\c2ccc3c(c2)OCO3)cc1 ZINC000102995001 1071081520 /nfs/dbraw/zinc/08/15/20/1071081520.db2.gz RBTNDPLFCYBTPZ-QCDXTXTGSA-N 0 1 545.411 5.029 50 0 KKAAMN O=[P@](/C=C(/Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000015906373 1071137033 /nfs/dbraw/zinc/13/70/33/1071137033.db2.gz IYLOHTJUGYBMSI-XRBXDRSNSA-N 0 1 515.377 9.114 50 0 KKAAMN O=C(Nc1ccc(-c2nc3ccc(-c4nc5cc(NC(=O)c6ccc(C(F)(F)F)cc6)ccc5[nH]4)cc3[nH]2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000575443889 1071144561 /nfs/dbraw/zinc/14/45/61/1071144561.db2.gz SAMJXICXDJYXAR-UHFFFAOYSA-N 0 1 684.600 9.315 50 0 KKAAMN O=C(Nc1ccc(-c2nc3cc(-c4nc5ccc(NC(=O)c6ccc(C(F)(F)F)cc6)cc5[nH]4)ccc3[nH]2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000575443889 1071144568 /nfs/dbraw/zinc/14/45/68/1071144568.db2.gz SAMJXICXDJYXAR-UHFFFAOYSA-N 0 1 684.600 9.315 50 0 KKAAMN CN(Cc1ccsc1)Cc1cccc(OC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1 ZINC000011871790 1071232966 /nfs/dbraw/zinc/23/29/66/1071232966.db2.gz PWBOPVMYWAACNQ-UHFFFAOYSA-N 0 1 506.693 5.765 50 0 KKAAMN COc1ccc(CCc2nc3cccnc3n2C2CCN(Cc3cc4c(cc3Cl)OCO4)CC2)cc1 ZINC000012151401 1071237803 /nfs/dbraw/zinc/23/78/03/1071237803.db2.gz MDGJZONSJJESCJ-UHFFFAOYSA-N 0 1 505.018 5.444 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000604418764 1071274458 /nfs/dbraw/zinc/27/44/58/1071274458.db2.gz APXNXQBKHBFFJU-JMNGKNCGSA-N 0 1 552.674 6.885 50 0 KKAAMN COc1ccc(C(=O)[C@H]2C(=C(O)c3ccc(OC)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000604418924 1071274521 /nfs/dbraw/zinc/27/45/21/1071274521.db2.gz VYVVVCHSIGQPSQ-UIUKDCGCSA-N 0 1 556.618 5.560 50 0 KKAAMN COc1ccc(-c2cc(O)c3c(=O)cc4c(c-3o2)[C@H](c2ccc(OC)c(OC(C)C)c2)CC(=O)O4)cc1O ZINC000217914388 1071293981 /nfs/dbraw/zinc/29/39/81/1071293981.db2.gz AMLCPQUTXNHDEU-KRWDZBQOSA-N 0 1 518.518 5.117 50 0 biogenic KKAAMN O=C1OC(C(c2ccccc2)c2ccccc2)=N/C1=C/c1cc(Br)cc(Br)c1O ZINC000003207955 1071317828 /nfs/dbraw/zinc/31/78/28/1071317828.db2.gz QCXBJHYOIUJKCU-XDHOZWIPSA-N 0 1 513.185 6.046 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)/C=C\c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)ccc1N1CCOCC1 ZINC000158734703 1072829509 /nfs/dbraw/zinc/82/95/09/1072829509.db2.gz VMACIZVEVGRVMB-BOPFTXTBSA-N 0 1 693.800 5.069 50 0 KKAAMN O=[N+]([O-])c1ccc([N-][NH+]=Cc2sc(N3CCOCC3)nc2-c2ccccc2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000254399613 1072852901 /nfs/dbraw/zinc/85/29/01/1072852901.db2.gz XCRXIIQCSTZITG-UHFFFAOYSA-N 0 1 599.094 5.455 50 0 KKAAMN CC(C)(C)c1ccc(C2N=NC(=S)N2N=Cc2cc(Br)cc(Br)c2O)cc1 ZINC000254698470 1072870458 /nfs/dbraw/zinc/87/04/58/1072870458.db2.gz IYQBQAHNBXOZQL-UHFFFAOYSA-N 0 1 510.255 5.644 50 0 KKAAMN Cc1cc(C=N/N=C2\NC(=O)C(Cc3ccc(SC(F)F)cc3)S2)c(C)n1-c1cc(Cl)ccc1Cl ZINC000254758281 1072877005 /nfs/dbraw/zinc/87/70/05/1072877005.db2.gz CRAHTEXFISTKLA-OAQYLSRUSA-N 0 1 553.487 6.880 50 0 KKAAMN CN(Cc1cccs1)Cc1cccc(OC2CCN(C(=O)c3cc(C4CC4)nc4ccccc43)CC2)c1 ZINC000014956196 1072892972 /nfs/dbraw/zinc/89/29/72/1072892972.db2.gz PFPYZLSZVXFHHV-UHFFFAOYSA-N 0 1 511.691 6.489 50 0 KKAAMN Cc1cc(C(=O)N2CCCC[C@@H]2CCOc2cccc(CN3CCN(c4cccc(Cl)c4)CC3)c2)n(C)n1 ZINC000015068573 1072896452 /nfs/dbraw/zinc/89/64/52/1072896452.db2.gz JDFAUVDBMBBIOF-AREMUKBSSA-N 0 1 536.120 5.168 50 0 KKAAMN C[C@@H](c1cc(-c2ccccc2)n[nH]1)N(C)Cc1cc2cc3c(cc2n(Cc2cccc(F)c2)c1=O)OCO3 ZINC000015072617 1072896777 /nfs/dbraw/zinc/89/67/77/1072896777.db2.gz GBLRPVFQOYAYBV-IBGZPJMESA-N 0 1 510.569 5.501 50 0 KKAAMN COc1cc2c(cc1CN1CCC(O)(c3ccc(Br)cc3)CC1)oc(C)c2-c1ccccc1 ZINC000016677713 1072897351 /nfs/dbraw/zinc/89/73/51/1072897351.db2.gz TUWIKDYKYLDXIQ-UHFFFAOYSA-N 0 1 506.440 6.663 50 0 KKAAMN O=C(c1ccco1)N1CCCC[C@@H]1CCOc1cccc(CN2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000055089070 1072899129 /nfs/dbraw/zinc/89/91/29/1072899129.db2.gz SJNHBJOHQKCUMK-RUZDIDTESA-N 0 1 508.062 5.719 50 0 KKAAMN Cc1ccsc1CN(Cc1ccc(F)cc1)C(=O)CN(CCN1CCCC1)C(=O)c1ccccc1F ZINC000000696173 551527944 /nfs/dbraw/zinc/52/79/44/551527944.db2.gz KDOZVDGLPZNNMR-UHFFFAOYSA-N 0 1 511.638 5.102 50 0 KKAAMN O=C(Nc1cccc2nsnc21)c1cc(Br)ccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000000754640 551541725 /nfs/dbraw/zinc/54/17/25/551541725.db2.gz KNAYOBVVUXPXHX-UHFFFAOYSA-N 0 1 523.821 5.160 50 0 KKAAMN CCC(=O)N1c2ccc(C(=O)c3ccccc3)cc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000000864960 551552377 /nfs/dbraw/zinc/55/23/77/551552377.db2.gz FTHDOMMRUHVGAD-LJAQVGFWSA-N 0 1 523.589 6.379 50 0 KKAAMN O=C(Nc1ccc(Br)cc1)c1ccc(Br)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000000888058 551561094 /nfs/dbraw/zinc/56/10/94/551561094.db2.gz GCMNZFKTIWQFCC-UHFFFAOYSA-N 0 1 510.207 5.265 50 0 KKAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(OCc4ccccc4)cc3)cc2)n1 ZINC000001033574 551598497 /nfs/dbraw/zinc/59/84/97/551598497.db2.gz GCATZGBASKYPAO-UHFFFAOYSA-N 0 1 503.584 5.117 50 0 KKAAMN CCOc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(OC)c(Cl)c3Cl)cc2)cc1 ZINC000001118224 551612342 /nfs/dbraw/zinc/61/23/42/551612342.db2.gz RWXQHBCZKLGGKN-UHFFFAOYSA-N 0 1 531.439 5.002 50 0 KKAAMN O=C(Nc1ccccc1)c1cc(S(=O)(=O)Nc2ccc(Br)cc2)c(Cl)cc1Cl ZINC000001196534 551622668 /nfs/dbraw/zinc/62/26/68/551622668.db2.gz JQXXSMNOVPBMDT-UHFFFAOYSA-N 0 1 500.201 5.809 50 0 KKAAMN COc1cccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)c3ccccc3n2)c1 ZINC000001218752 551627099 /nfs/dbraw/zinc/62/70/99/551627099.db2.gz UYVVJSCUPHOMDW-UHFFFAOYSA-N 0 1 525.590 5.062 50 0 KKAAMN CCOC(=O)c1cnc(SC)nc1Oc1cccc(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1 ZINC000001394781 551660900 /nfs/dbraw/zinc/66/09/00/551660900.db2.gz WNFJCJXPEFHZMU-UHFFFAOYSA-N 0 1 548.857 5.929 50 0 KKAAMN [O-]c1c(-c2ccccc2)cc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1-c1ccccc1 ZINC000001566069 551684586 /nfs/dbraw/zinc/68/45/86/551684586.db2.gz UWOVWIIOKHRNKU-UHFFFAOYSA-O 0 1 552.697 10.004 50 0 KKAAMN CCCN(CCC)Cc1c(OC(=O)c2ccc(C)cc2)ccc2c(=O)c(Oc3ccc(C)c(C)c3)c(C(F)(F)F)oc21 ZINC000001785091 551698894 /nfs/dbraw/zinc/69/88/94/551698894.db2.gz GEDXELBTUMRYLW-UHFFFAOYSA-N 0 1 581.631 8.371 50 0 KKAAMN O=C1C(=Nc2ccc(Br)cc2)C[C@@H](c2cccc(F)c2)N1c1ccc(Br)cc1 ZINC000001815298 551707364 /nfs/dbraw/zinc/70/73/64/551707364.db2.gz SXIHJYNVHHOYCD-NRFANRHFSA-N 0 1 502.181 6.435 50 0 KKAAMN O=C1C(=Nc2ccc(Br)cc2)C[C@@H](c2ccccc2F)N1c1ccc(Br)cc1 ZINC000001831792 551711395 /nfs/dbraw/zinc/71/13/95/551711395.db2.gz JCYPKLOQDXTZKW-NRFANRHFSA-N 0 1 502.181 6.435 50 0 KKAAMN CCOc1cc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000001869201 551719078 /nfs/dbraw/zinc/71/90/78/551719078.db2.gz FUWAYZYFEKSGHJ-OCBJUFRSSA-N 0 1 589.475 7.022 50 0 KKAAMN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000001920047 551734529 /nfs/dbraw/zinc/73/45/29/551734529.db2.gz AYXMPKWOTBCWKD-UHFFFAOYSA-N 0 1 561.874 7.801 50 0 KKAAMN O=C(c1ccc(Cl)cc1Cl)C1[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCCN2[C@]12C(=O)Nc1ccccc12 ZINC000002098194 551762092 /nfs/dbraw/zinc/76/20/92/551762092.db2.gz LKLZRYIWPSGWBV-QJGCUMMJSA-N 0 1 518.400 5.008 50 0 biogenic KKAAMN CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(-c2ccccc2)c1CN1CCC(C)CC1 ZINC000002204860 551793220 /nfs/dbraw/zinc/79/32/20/551793220.db2.gz UCMLRFCEJFQXEU-UHFFFAOYSA-N 0 1 513.432 5.727 50 0 KKAAMN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1cc2ccccc2cc1NS(=O)(=O)c1ccccc1 ZINC000002254610 551802463 /nfs/dbraw/zinc/80/24/63/551802463.db2.gz YMQFNSIUCSXOKM-UHFFFAOYSA-N 0 1 508.621 5.748 50 0 KKAAMN COc1cc([C@@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2Cc2ccco2)cc(Br)c1O ZINC000002351333 552100012 /nfs/dbraw/zinc/10/00/12/552100012.db2.gz MAJYQGLBNFTPEE-JOCHJYFZSA-N 0 1 524.371 5.214 50 0 KKAAMN O=C(Nc1ccc2c(c1)CCC2)c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(Cl)cc1Cl ZINC000002621877 552138123 /nfs/dbraw/zinc/13/81/23/552138123.db2.gz ZSBGXMRXMVLJIX-UHFFFAOYSA-N 0 1 529.367 6.554 50 0 KKAAMN Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)c(Cl)cc1Cl ZINC000002653391 552147643 /nfs/dbraw/zinc/14/76/43/552147643.db2.gz MVOASPWZFUUHEK-MRXNPFEDSA-N 0 1 567.466 6.549 50 0 KKAAMN O=C(NCCc1ccc(Cl)cc1)c1ccc(Cn2c(=O)c3cc(Br)ccc3[nH]c2=S)cc1 ZINC000002973681 552245500 /nfs/dbraw/zinc/24/55/00/552245500.db2.gz CZPHNAOOWKPDPH-UHFFFAOYSA-N 0 1 528.859 5.496 50 0 KKAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)c3ccc4c(c3)NC(=O)/C(=C/c3ccccc3)S4)CC2)c1 ZINC000003063941 552284432 /nfs/dbraw/zinc/28/44/32/552284432.db2.gz VXJTVZNYNYRBHP-BRPDVVIDSA-N 0 1 526.706 5.331 50 0 KKAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3sc4cc(F)ccc4c3Cl)cc2)n1 ZINC000003094455 552286955 /nfs/dbraw/zinc/28/69/55/552286955.db2.gz YQZPIVNHVMWDBH-UHFFFAOYSA-N 0 1 550.062 5.028 50 0 KKAAMN O=C(c1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(Cl)cc1Cl)N1CCN(c2ccccc2Cl)CC1 ZINC000003217103 552308033 /nfs/dbraw/zinc/30/80/33/552308033.db2.gz JQHRRCZQDGARQQ-UHFFFAOYSA-N 0 1 559.302 6.063 50 0 KKAAMN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)c(Cl)cc2Cl)cc1 ZINC000003232308 552315716 /nfs/dbraw/zinc/31/57/16/552315716.db2.gz NQMDAPDTWQXWNC-UHFFFAOYSA-N 0 1 534.248 6.752 50 0 KKAAMN Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)n2nc3c4c2cccc4C(=O)c2ccccc2-3)c1C ZINC000003237198 552317309 /nfs/dbraw/zinc/31/73/09/552317309.db2.gz CCSQNBXWSMTUSC-UHFFFAOYSA-N 0 1 535.625 5.971 50 0 KKAAMN O=C(NCc1ccc(Cl)cc1)c1cc(C(=O)c2cc(F)ccc2O)cn(Cc2ccc(Cl)cc2)c1=O ZINC000003260958 552326285 /nfs/dbraw/zinc/32/62/85/552326285.db2.gz QQBYHDMOTOEOJI-UHFFFAOYSA-N 0 1 525.363 5.209 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)Nc2cc3oc4ccccc4c3cc2OC)c1 ZINC000003376443 552376607 /nfs/dbraw/zinc/37/66/07/552376607.db2.gz XEOKTKDVSOACEH-GOSISDBHSA-N 0 1 574.611 5.588 50 0 KKAAMN CCOC(=O)c1c(NC=C2C(=O)N(c3ccccc3Cl)C(=O)c3ccccc32)sc2c1CCN(CC)C2 ZINC000003415110 552382661 /nfs/dbraw/zinc/38/26/61/552382661.db2.gz NNGPRFDQQSRHNR-HMMYKYKNSA-N 0 1 536.053 5.596 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)cc1 ZINC000003436451 552386693 /nfs/dbraw/zinc/38/66/93/552386693.db2.gz QGLLVOQBPSAUQZ-UHFFFAOYSA-N 0 1 567.092 6.170 50 0 KKAAMN COc1ccc(C(OC[C@@H](O)CN(C)Cc2cc(Br)ccc2OC)c2ccc(OC)cc2)cc1 ZINC000003495900 552390378 /nfs/dbraw/zinc/39/03/78/552390378.db2.gz RGXBRPGHYPIBKJ-QHCPKHFHSA-N 0 1 530.459 5.074 50 0 KKAAMN COc1ccc(OC)c(/C=C/C(=O)Nc2ccc3nc4c(c(Nc5ccccc5OC)c3c2)CCCC4)c1 ZINC000003654707 552403240 /nfs/dbraw/zinc/40/32/40/552403240.db2.gz FTALJVNAMYCLFM-SFQUDFHCSA-N 0 1 509.606 6.535 50 0 KKAAMN O=C1C(Nc2ccc(Br)cc2)=C[C@H](c2ccc3c(c2)OCO3)N1c1ccc(Br)cc1 ZINC000003669038 552410498 /nfs/dbraw/zinc/41/04/98/552410498.db2.gz KTSDPCUGYCTCHC-HXUWFJFHSA-N 0 1 528.200 6.024 50 0 KKAAMN CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000003842924 552420343 /nfs/dbraw/zinc/42/03/43/552420343.db2.gz UCQSBGOFELXYIN-UHFFFAOYSA-N 0 1 667.738 6.522 50 0 investigational KKAAMN CC(C)(C)c1ccc(Oc2cc(Oc3ccc(C(C)(C)C)cc3)nc(NS(=O)(=O)c3ccc(F)cc3)n2)cc1 ZINC000004106471 552436925 /nfs/dbraw/zinc/43/69/25/552436925.db2.gz DUBSSXAMFRMXDP-UHFFFAOYSA-N 0 1 549.668 7.596 50 0 KKAAMN O=C(C[C@H]1C(=O)N(c2ccc(F)cc2)C(=S)N1CCCN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(Cl)cc1 ZINC000004762170 552479082 /nfs/dbraw/zinc/47/90/82/552479082.db2.gz DQAPJJCFGHYTCM-MHZLTWQESA-N 0 1 598.119 5.161 50 0 KKAAMN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(Cl)cc1Cl ZINC000006017375 552519834 /nfs/dbraw/zinc/51/98/34/552519834.db2.gz FNHATVUYNAJQSA-UHFFFAOYSA-N 0 1 571.873 7.243 50 0 KKAAMN Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)O[C@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)c1C ZINC000006144690 552547040 /nfs/dbraw/zinc/54/70/40/552547040.db2.gz SNYRWXBBFQQROT-FOIQADDNSA-N 0 1 579.744 6.062 50 0 KKAAMN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccccc1NS(=O)(=O)c1cc(C)ccc1C ZINC000006146142 552547646 /nfs/dbraw/zinc/54/76/46/552547646.db2.gz JKUGHQQAEFKKFC-UHFFFAOYSA-N 0 1 569.104 6.915 50 0 KKAAMN CCn1c2ccccc2c2cc(NC(=O)c3ccccc3NS(=O)(=O)c3cccc(C(F)(F)F)c3)ccc21 ZINC000006146359 552548038 /nfs/dbraw/zinc/54/80/38/552548038.db2.gz YSWJRUDZMGCMQQ-UHFFFAOYSA-N 0 1 537.563 6.886 50 0 KKAAMN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1OC ZINC000006146439 552548229 /nfs/dbraw/zinc/54/82/29/552548229.db2.gz MCGSVHQZOZKTHG-UHFFFAOYSA-N 0 1 532.574 5.665 50 0 KKAAMN Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000006146630 552548244 /nfs/dbraw/zinc/54/82/44/552548244.db2.gz PXCIKKUSDHKJMQ-UHFFFAOYSA-N 0 1 535.563 6.196 50 0 KKAAMN CCCN(CCC)Cc1c(OC(=O)c2ccc(C)cc2)ccc2c(=O)c(Oc3ccc(Cl)c(C)c3)c(C(F)(F)F)oc21 ZINC000006166789 552556866 /nfs/dbraw/zinc/55/68/66/552556866.db2.gz KYQGKHZZOGGQJL-UHFFFAOYSA-N 0 1 602.049 8.716 50 0 KKAAMN CCCN(CCC)Cc1c(OC(=O)c2ccc(OC)cc2)ccc2c(=O)c(Oc3ccc(Cl)cc3)c(C(F)(F)F)oc21 ZINC000006166828 552557178 /nfs/dbraw/zinc/55/71/78/552557178.db2.gz BJUUIRXHRZNZBA-UHFFFAOYSA-N 0 1 604.021 8.107 50 0 KKAAMN CCCN(CCC)Cc1c(OC(=O)c2ccc(C(C)(C)C)cc2)ccc2c(=O)c(Oc3ccc(C)c(C)c3)c(C(F)(F)F)oc21 ZINC000006166866 552557470 /nfs/dbraw/zinc/55/74/70/552557470.db2.gz AULHWJWIVJEJCO-UHFFFAOYSA-N 0 1 623.712 9.360 50 0 KKAAMN O=C(Cc1ccccc1)Nc1ccc2[nH]c(-c3ccc(-c4nc5ccc(NC(=O)Cc6ccccc6)cc5[nH]4)cc3)nc2c1 ZINC000006446383 552589093 /nfs/dbraw/zinc/58/90/93/552589093.db2.gz FUMUGEGJFBOQRC-UHFFFAOYSA-N 0 1 576.660 7.136 50 0 KKAAMN O=C(CN(c1ccc(Br)cc1)S(=O)(=O)c1ccccc1)Nc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000008443016 553045110 /nfs/dbraw/zinc/04/51/10/553045110.db2.gz AGSXHYQJRLGBIU-UHFFFAOYSA-N 0 1 600.516 5.084 50 0 KKAAMN O=C(CSc1nnc(-c2ccccc2)n1C1CCCCC1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000008667147 553109798 /nfs/dbraw/zinc/10/97/98/553109798.db2.gz DVGMJCGZCMUJLO-UHFFFAOYSA-N 0 1 548.694 5.377 50 0 KKAAMN O=C1NC(=O)[C@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@H]32)C(=O)N1c1cc(Cl)ccc1Cl ZINC000008695460 553121727 /nfs/dbraw/zinc/12/17/27/553121727.db2.gz OPAXLTNMTZCRFY-WNCULLNHSA-N 0 1 521.404 5.354 50 0 KKAAMN Cc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)[nH]2)cc1Cl ZINC000008757014 553136440 /nfs/dbraw/zinc/13/64/40/553136440.db2.gz XEQMIJANJXPRBC-UHFFFAOYSA-N 0 1 506.049 5.005 50 0 KKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(Cl)c(C)cc4O)c3[C@@H]2c2ccccc2F)cc1OC ZINC000008845388 553165574 /nfs/dbraw/zinc/16/55/74/553165574.db2.gz RBCOATGZKHWSBN-MHZLTWQESA-N 0 1 521.976 5.688 50 0 KKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(C)cc(C)c4O)c3[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000008845557 553165793 /nfs/dbraw/zinc/16/57/93/553165793.db2.gz WUDFOMAMGMYFCC-NDEPHWFRSA-N 0 1 513.594 5.213 50 0 KKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(C)cc(C)c4O)c3[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000008845555 553165827 /nfs/dbraw/zinc/16/58/27/553165827.db2.gz WXMVJJFWXKSSBC-SANMLTNESA-N 0 1 522.432 6.502 50 0 KKAAMN CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)ccc1OC(=O)c1ccc(F)cc1 ZINC000008923393 553190529 /nfs/dbraw/zinc/19/05/29/553190529.db2.gz MDJLTDUZXUOZDK-XMMPIXPASA-N 0 1 509.603 5.701 50 0 KKAAMN CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C=C[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000009010077 553199702 /nfs/dbraw/zinc/19/97/02/553199702.db2.gz XHVBRGNDWWRRBB-OYTZIAQDSA-N 0 1 532.684 6.536 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccco5)nc4c32)cc1OC ZINC000009191922 553218817 /nfs/dbraw/zinc/21/88/17/553218817.db2.gz ZZSUBTFOSCNYAG-QHCPKHFHSA-N 0 1 506.522 5.182 50 0 KKAAMN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1Cl)c1c3nc(-c4ccccc4O)nn3cnc1O2 ZINC000009242719 553226611 /nfs/dbraw/zinc/22/66/11/553226611.db2.gz OKLPWLQDSBGYLV-QHCPKHFHSA-N 0 1 506.953 5.930 50 0 KKAAMN O=C(Oc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1)c1ccccc1 ZINC000009282023 553233579 /nfs/dbraw/zinc/23/35/79/553233579.db2.gz NVILDXNSTJZWOP-PFBJBMPXSA-N 0 1 508.505 5.096 50 0 KKAAMN COc1ccc(-c2csc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(C)cc3)n2)cc1OC ZINC000009354790 553246193 /nfs/dbraw/zinc/24/61/93/553246193.db2.gz COKKVCDDGKRDNJ-UHFFFAOYSA-N 0 1 509.609 5.189 50 0 KKAAMN COc1ccccc1C1c2c(C)nn(-c3ccccc3)c2Oc2ncn3nc(-c4ccccc4O)nc3c21 ZINC000009487707 553272938 /nfs/dbraw/zinc/27/29/38/553272938.db2.gz TUMLDSLGGYRLLV-DEOSSOPVSA-N 0 1 502.534 5.286 50 0 KKAAMN COc1ccccc1-c1nc2c3c(ncn2n1)Oc1c(c(C)nn1-c1ccccc1)C3c1ccccc1OC ZINC000009488143 553273085 /nfs/dbraw/zinc/27/30/85/553273085.db2.gz UNQUYQLBAIEKBG-VWLOTQADSA-N 0 1 516.561 5.589 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccccc5C)nc4c32)cc1 ZINC000009583971 553282380 /nfs/dbraw/zinc/28/23/80/553282380.db2.gz LCNOVHHTHKKJEJ-RUZDIDTESA-N 0 1 500.562 5.888 50 0 KKAAMN COc1ccc(-c2[nH]c(-c3ccc(F)cc3)nc2SCC(=O)Nc2ccc3c(c2)OCO3)cc1OC ZINC000009674202 553294754 /nfs/dbraw/zinc/29/47/54/553294754.db2.gz UTBKPDKIIPNQND-UHFFFAOYSA-N 0 1 507.543 5.360 50 0 KKAAMN C[C@@H](c1cccs1)N(C)Cc1cc(-c2ccccc2)ccc1OCC(=O)N1CCN(c2ncccn2)CC1 ZINC000012283408 553356360 /nfs/dbraw/zinc/35/63/60/553356360.db2.gz PWEBFBBPJVDRHP-QHCPKHFHSA-N 0 1 527.694 5.126 50 0 KKAAMN COc1ccc([C@@H]2c3c(n[nH]c3-c3cccc(OC)c3)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000012323991 553358271 /nfs/dbraw/zinc/35/82/71/553358271.db2.gz HVXBPMDPPGWZFH-GDLZYMKVSA-N 0 1 508.578 5.372 50 0 KKAAMN CCN(CC)c1ccc(NC(=O)c2cc3c(s2)CCCC3)cc1S(=O)(=O)Nc1ccccc1OC ZINC000012585138 553399615 /nfs/dbraw/zinc/39/96/15/553399615.db2.gz WEAYMSAQPYFFAV-UHFFFAOYSA-N 0 1 513.685 5.535 50 0 KKAAMN COc1ccccc1N1CCN(C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000012600323 553401455 /nfs/dbraw/zinc/40/14/55/553401455.db2.gz YJUXMKPPZOKJNL-XMMPIXPASA-N 0 1 501.454 5.291 50 0 KKAAMN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccccc1C(=O)OCc1ccc(Br)cc1 ZINC000012649159 553409357 /nfs/dbraw/zinc/40/93/57/553409357.db2.gz VCHFYBRPBMYNOG-UHFFFAOYSA-N 0 1 516.457 6.213 50 0 KKAAMN COc1cc2nc(SCc3ccc(C(F)(F)F)cc3)n3c(CC4CCCCC4)c(O)nc3c2cc1OC ZINC000012951484 553428520 /nfs/dbraw/zinc/42/85/20/553428520.db2.gz UGZFALDISCMXON-NRFANRHFSA-N 0 1 531.600 6.585 50 0 KKAAMN COc1cc2nc(SCc3cccc(C(F)(F)F)c3)n3c(CC4CCCCC4)c(O)nc3c2cc1OC ZINC000012951511 553428688 /nfs/dbraw/zinc/42/86/88/553428688.db2.gz FLMHWSTZMSEUOO-OAQYLSRUSA-N 0 1 531.600 6.585 50 0 KKAAMN COc1ccc2c(CC(=O)Nc3ccc(OC)c(S(=O)(=O)Nc4ccc(Cl)cc4)c3)coc2c1 ZINC000013141759 553454409 /nfs/dbraw/zinc/45/44/09/553454409.db2.gz OKZAANMABMIAFX-UHFFFAOYSA-N 0 1 500.960 5.085 50 0 KKAAMN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CCN(C4CCCCC4)CC3)cnn2-c2ccccc2)CC1 ZINC000015936389 553542799 /nfs/dbraw/zinc/54/27/99/553542799.db2.gz PVDREUDYAPZUNC-UHFFFAOYSA-N 0 1 521.706 5.077 50 0 KKAAMN CC(C)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccc(Cl)cc4Cl)cc2)N3)C1 ZINC000015947050 553545120 /nfs/dbraw/zinc/54/51/20/553545120.db2.gz KGTJJLUNRVXIFE-JOCHJYFZSA-N 0 1 516.450 6.470 50 0 KKAAMN COc1ccc(-c2n[nH]c(S[C@H](CC(=O)NCc3ccccc3)c3ccc(OC)c(OC)c3)n2)cc1 ZINC000015973949 553547842 /nfs/dbraw/zinc/54/78/42/553547842.db2.gz UEJNCDJBBHOIEA-XMMPIXPASA-N 0 1 504.612 5.037 50 0 KKAAMN CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C=C[C@H]3[C@]23c2ccccc2NC3=O)cc1 ZINC000016000115 553549696 /nfs/dbraw/zinc/54/96/96/553549696.db2.gz XHVBRGNDWWRRBB-HICIQRJKSA-N 0 1 532.684 6.536 50 0 KKAAMN O=C(c1ccccc1)[C@@H]1C(=C(O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000016039118 553552782 /nfs/dbraw/zinc/55/27/82/553552782.db2.gz JCYGMPZIRVWNQW-KCIBBDPESA-N 0 1 514.556 5.682 50 0 KKAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cc(Cl)ccc2OC)c1 ZINC000016687774 553572684 /nfs/dbraw/zinc/57/26/84/553572684.db2.gz SMUCHXHWCDOYKZ-UHFFFAOYSA-N 0 1 508.018 5.100 50 0 KKAAMN O=c1c2c3c(sc2nc(SCc2ccccc2)n1-c1ccccc1)CN(CCc1ccccc1)CC3 ZINC000020123583 553590938 /nfs/dbraw/zinc/59/09/38/553590938.db2.gz VFPAIDHXFQBDRT-UHFFFAOYSA-N 0 1 509.700 6.340 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1OC ZINC000017889582 553600267 /nfs/dbraw/zinc/60/02/67/553600267.db2.gz JMXJJWRHEJZENI-NXCFDTQHSA-N 0 1 506.986 5.579 50 0 KKAAMN CCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(OCC)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000018100931 553604164 /nfs/dbraw/zinc/60/41/64/553604164.db2.gz GBNWYUGARAOTQC-IARZGTGTSA-N 0 1 516.594 5.324 50 0 KKAAMN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(OCC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000018100931 553604165 /nfs/dbraw/zinc/60/41/65/553604165.db2.gz GBNWYUGARAOTQC-IARZGTGTSA-N 0 1 516.594 5.324 50 0 KKAAMN CC(C)(C)c1ccc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000018118886 553605098 /nfs/dbraw/zinc/60/50/98/553605098.db2.gz POKKWNDGYCCNNY-VXNXHJTFSA-N 0 1 505.412 5.798 50 0 KKAAMN CC(C)(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018118886 553605101 /nfs/dbraw/zinc/60/51/01/553605101.db2.gz POKKWNDGYCCNNY-VXNXHJTFSA-N 0 1 505.412 5.798 50 0 KKAAMN Cc1ccc([C@@H]2c3c(O)n(-c4ccc(C)c(Cl)c4)c(O)c3ON2c2cccc(Br)c2)cc1 ZINC000018145728 553606311 /nfs/dbraw/zinc/60/63/11/553606311.db2.gz YSNVCRQLJRUZRP-ZRBLBEILSA-N 0 1 511.803 5.770 50 0 KKAAMN CCN1CCc2c(sc3c2C(=O)N[C@H](c2ccc(COc4c(Cl)cc(Cl)cc4Cl)o2)N3)C1 ZINC000018195280 553608658 /nfs/dbraw/zinc/60/86/58/553608658.db2.gz JHQUZZVMMXLZMZ-FQEVSTJZSA-N 0 1 512.846 6.112 50 0 KKAAMN Cc1ccc(C)c(CN2c3cc(C(=O)NCCN4CCCC[C@H]4C)ccc3[S@@](=O)c3ccccc3C2=O)c1 ZINC000020242701 553627799 /nfs/dbraw/zinc/62/77/99/553627799.db2.gz QRYDFPQVLUNFAK-CCPAGJRDSA-N 0 1 529.706 5.235 50 0 KKAAMN C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN([C@@H](c5ccccc5)c5ccc(Cl)cc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000020411425 553646276 /nfs/dbraw/zinc/64/62/76/553646276.db2.gz FGXQERORDNVKRX-ZVLGWSDASA-N 0 1 535.128 5.332 50 0 biogenic KKAAMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=S)N=P(N2CCCCCC2)(N2CCCCCC2)C(C)(C)C)cc1 ZINC000096022684 553722113 /nfs/dbraw/zinc/72/21/13/553722113.db2.gz PHUKTZGXKQEVCU-UHFFFAOYSA-N 0 1 619.838 7.775 50 0 KKAAMN Cc1nc2sc([C@H](c3cccs3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c([O-])n2n1 ZINC000022784356 553749770 /nfs/dbraw/zinc/74/97/70/553749770.db2.gz HVFTUPZVYMGFIW-DEOSSOPVSA-N 0 1 501.681 5.363 50 0 KKAAMN O=S(=O)(NC[C@H](c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000022864438 553763160 /nfs/dbraw/zinc/76/31/60/553763160.db2.gz UPRHHAKSNYNSRQ-SSEXGKCCSA-N 0 1 546.136 5.767 50 0 KKAAMN CC(C)OC(=O)c1c(NC(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)sc2c1CCCC2 ZINC000022940553 553768483 /nfs/dbraw/zinc/76/84/83/553768483.db2.gz RBKLGIVOCWJDHS-UHFFFAOYSA-N 0 1 531.722 5.538 50 0 KKAAMN Fc1cccc(-c2cccc(-c3nc(CN4CCC(Cc5ccc(C(F)(F)F)cc5)CC4)cs3)c2)c1 ZINC000025150389 553796466 /nfs/dbraw/zinc/79/64/66/553796466.db2.gz WGUZDFPLUPUBJC-UHFFFAOYSA-N 0 1 510.600 8.090 50 0 KKAAMN COc1ccc(-c2cccc(-c3nc(CN4CCC(c5ccccc5)CC4)cs3)c2)c(OC)c1OC ZINC000025155340 553798482 /nfs/dbraw/zinc/79/84/82/553798482.db2.gz MQPUMYSSIBCERT-UHFFFAOYSA-N 0 1 500.664 6.883 50 0 KKAAMN COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000097954267 553822614 /nfs/dbraw/zinc/82/26/14/553822614.db2.gz AEFDWUVQUGACEF-NHKHRBQYSA-N 0 1 534.568 5.274 50 0 KKAAMN CCOc1cc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc(Br)c1O ZINC000097954909 553826452 /nfs/dbraw/zinc/82/64/52/553826452.db2.gz RKPQVONPAYTESG-XJUOHMSHSA-N 0 1 543.801 5.258 50 0 KKAAMN CCOc1cc([C@@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccccc2)cc(Br)c1O ZINC000097954986 553827032 /nfs/dbraw/zinc/82/70/32/553827032.db2.gz DLKDEKRTILPQDY-XJUOHMSHSA-N 0 1 543.801 5.258 50 0 KKAAMN CCCCOc1ccc([C@@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1 ZINC000027522883 553829621 /nfs/dbraw/zinc/82/96/21/553829621.db2.gz AGWKTPYZKLLUEU-RPWUZVMVSA-N 0 1 508.496 5.637 50 0 KKAAMN Cc1nn2c(nc(C)cc2N2CCN(CCOc3cccc4ccccc43)CC2)c1-c1ccccc1Cl ZINC000027585512 553835574 /nfs/dbraw/zinc/83/55/74/553835574.db2.gz ZXEDTXFGMKTIOA-UHFFFAOYSA-N 0 1 512.057 6.021 50 0 KKAAMN O=C1NC(=Cc2c(=O)n(-c3ccccc3)[nH]c2Cc2cccs2)C(=O)N1Cc1ccc(C(F)(F)F)cc1 ZINC000097956091 553836019 /nfs/dbraw/zinc/83/60/19/553836019.db2.gz KSVMASADUTZISI-HMAPJEAMSA-N 0 1 524.524 5.342 50 0 KKAAMN COc1ccccc1C1c2c(C)nn(-c3ccc(Cl)cc3)c2Oc2ncn3nc(-c4ccncc4)nc3c21 ZINC000097956595 553840086 /nfs/dbraw/zinc/84/00/86/553840086.db2.gz RZNCVNKZZHNEFP-HSZRJFAPSA-N 0 1 521.968 5.628 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4cccc(Cl)c4)c3Oc3ncn4nc(-c5ccccc5O)nc4c32)cc1 ZINC000097956598 553840142 /nfs/dbraw/zinc/84/01/42/553840142.db2.gz VFMZBGMKWWNAAI-DEOSSOPVSA-N 0 1 536.979 5.939 50 0 KKAAMN O=C1C[C@@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 ZINC000028641396 553843406 /nfs/dbraw/zinc/84/34/06/553843406.db2.gz FRFJJDVKAIXDGI-XMMPIXPASA-N 0 1 527.974 5.398 50 0 KKAAMN COc1cccc(OCCN2CCN(c3cc(C(C)(C)C)nc4c(-c5ccc(F)cc5)c(C)nn43)CC2)c1 ZINC000032929407 553876532 /nfs/dbraw/zinc/87/65/32/553876532.db2.gz GZNVZFHOMCERBY-UHFFFAOYSA-N 0 1 517.649 5.351 50 0 KKAAMN CC(C)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963437 553890151 /nfs/dbraw/zinc/89/01/51/553890151.db2.gz JBKLBISDNLPOGE-UHFFFAOYSA-N 0 1 628.845 6.791 50 0 KKAAMN CC(C)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963432 553890245 /nfs/dbraw/zinc/89/02/45/553890245.db2.gz XXRQHMQVTGWIBR-UHFFFAOYSA-N 0 1 594.828 6.464 50 0 KKAAMN CCOC(=O)c1c2cc(OC(C)=O)c3c(c(-c4ccccc4)nn3-c3ccccc3)c2n(C)c1CN(CC)CC ZINC000033353759 553926751 /nfs/dbraw/zinc/92/67/51/553926751.db2.gz VPBXYQSKMUDHRC-UHFFFAOYSA-N 0 1 538.648 6.128 50 0 KKAAMN COc1ccc([C@H]2[C@@H](C(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000033356770 553944240 /nfs/dbraw/zinc/94/42/40/553944240.db2.gz KWSJJVDGRSPSGS-CDZUIXILSA-N 0 1 591.152 5.170 50 0 KKAAMN O=C(c1ccc(Cn2c(=O)c3cc(Br)ccc3[nH]c2=S)cc1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000033357830 553951089 /nfs/dbraw/zinc/95/10/89/553951089.db2.gz QUXSPOVQYFOLBI-UHFFFAOYSA-N 0 1 618.475 5.639 50 0 KKAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2ccc3c(c2)OCO3)cc1Cl ZINC000033358423 553955531 /nfs/dbraw/zinc/95/55/31/553955531.db2.gz VROHMVOQHDRJRG-VXKWHMMOSA-N 0 1 598.653 6.743 50 0 KKAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2cccc(Br)c2)cc1C ZINC000033358507 553956319 /nfs/dbraw/zinc/95/63/19/553956319.db2.gz XKWOSNLTBCBMJV-FGZHOGPDSA-N 0 1 613.122 7.432 50 0 KKAAMN O=C1NC(=O)[C@]2(Cc3ccccc3N3CC[C@@H](c4ccccc4)C[C@@H]32)C(=O)N1c1cc(Cl)ccc1Cl ZINC000033429063 553959707 /nfs/dbraw/zinc/95/97/07/553959707.db2.gz FURJAQYMVOUBPA-MVIMSGIFSA-N 0 1 520.416 5.776 50 0 KKAAMN O=C1NC(=O)[C@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@@H]32)C(=O)N1c1cc(Cl)ccc1Cl ZINC000033429093 553959777 /nfs/dbraw/zinc/95/97/77/553959777.db2.gz OPAXLTNMTZCRFY-YIXXDRMTSA-N 0 1 521.404 5.354 50 0 KKAAMN CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1ccc(Cl)cc1N1CCN(Cc3ccccc3)C[C@@H]12 ZINC000033429024 553959808 /nfs/dbraw/zinc/95/98/08/553959808.db2.gz DMBVCXJRXPFFAC-IAPPQJPRSA-N 0 1 505.449 5.649 50 0 KKAAMN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CCN2CCCCC2)C(=O)c2ccccc2C)o1 ZINC000033516389 553961557 /nfs/dbraw/zinc/96/15/57/553961557.db2.gz XOGWQEAGHYOXDR-UHFFFAOYSA-N 0 1 501.671 5.096 50 0 KKAAMN CCCSc1ccccc1N1CCN(CCCCN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)CC1 ZINC000097973090 553968290 /nfs/dbraw/zinc/96/82/90/553968290.db2.gz NYRLRMSIBFBCPS-UHFFFAOYSA-N 0 1 542.749 5.587 50 0 KKAAMN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CCN2CCCC2)C(=O)c2ccc(Cl)cc2)o1 ZINC000033696871 553968881 /nfs/dbraw/zinc/96/88/81/553968881.db2.gz VIEUADDCUHTTJC-UHFFFAOYSA-N 0 1 508.062 5.051 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000097980479 553988969 /nfs/dbraw/zinc/98/89/69/553988969.db2.gz LGLTWIBEAXJJAB-XIEYBQDHSA-N 0 1 593.583 6.155 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ccc(C)c(C)c3)C2=O)c1 ZINC000097980474 553989036 /nfs/dbraw/zinc/98/90/36/553989036.db2.gz DWXHNYOYAQBJJP-ZXVVBBHZSA-N 0 1 553.640 5.753 50 0 KKAAMN O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000097980592 553989843 /nfs/dbraw/zinc/98/98/43/553989843.db2.gz IMAIAVOPAKKUDS-NYYWCZLTSA-N 0 1 515.340 6.465 50 0 KKAAMN COc1cccc(N2CCN(C(=O)c3ccc(C)nc3C3CCN(Cc4ccccc4Cl)CC3)CC2)c1 ZINC000034730214 553997329 /nfs/dbraw/zinc/99/73/29/553997329.db2.gz IIUPGJOWGMBFQT-UHFFFAOYSA-N 0 1 519.089 5.394 50 0 KKAAMN COc1ccc(CCNC(=O)c2ccc(C)nc2C2CCN(Cc3ccccc3Cl)CC2)cc1OC ZINC000034729884 553997403 /nfs/dbraw/zinc/99/74/03/553997403.db2.gz HWAMLIWDZKKKGS-UHFFFAOYSA-N 0 1 508.062 5.413 50 0 KKAAMN O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000097982867 554005517 /nfs/dbraw/zinc/00/55/17/554005517.db2.gz LGJDIZWVFXRBPG-UHFFFAOYSA-N 0 1 560.028 5.333 50 0 KKAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccccc3NS(=O)(=O)c3cc(C)ccc3C)ccc2C)cc1 ZINC000097982888 554005701 /nfs/dbraw/zinc/00/57/01/554005701.db2.gz NYFMUYUBGGVIJZ-UHFFFAOYSA-N 0 1 579.700 5.474 50 0 KKAAMN O=C(c1ccc(Cl)cc1Cl)C1[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCCN2[C@@]12C(=O)Nc1ccccc12 ZINC000034795863 554008838 /nfs/dbraw/zinc/00/88/38/554008838.db2.gz LKLZRYIWPSGWBV-ZGZOUGAKSA-N 0 1 518.400 5.008 50 0 biogenic KKAAMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=S)N=P(N3CCCCCC3)(N3CCCCCC3)C(C)(C)C)ccc2Cl)cc1 ZINC000097984151 554014286 /nfs/dbraw/zinc/01/42/86/554014286.db2.gz SGYABAAIVRIAAZ-UHFFFAOYSA-N 0 1 668.310 8.818 50 0 KKAAMN Cc1ccc(C(=O)N2CCCN(C(=O)[C@H](C)N3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000034830387 554015752 /nfs/dbraw/zinc/01/57/52/554015752.db2.gz GLOXOEOMNNNGES-FIPFOOKPSA-N 0 1 501.696 5.076 50 0 KKAAMN CC[C@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)Nc1ccc(C)cc1 ZINC000034832199 554018007 /nfs/dbraw/zinc/01/80/07/554018007.db2.gz MNLGMWWRHQKHFP-QFIPXVFZSA-N 0 1 506.670 5.603 50 0 KKAAMN Cc1nn(-c2ccccc2)c(N2CCN(C)CC2)c1CN(CCC(C)C)C(=O)c1ccc2ccccc2c1 ZINC000034834658 554018940 /nfs/dbraw/zinc/01/89/40/554018940.db2.gz ZFIJVSPMOYECEH-UHFFFAOYSA-N 0 1 509.698 5.774 50 0 KKAAMN CCN1CCN(c2c(CN(CCCOC)C(=O)c3ccc4ccccc4c3)c(C)nn2-c2ccccc2)CC1 ZINC000034835173 554019539 /nfs/dbraw/zinc/01/95/39/554019539.db2.gz VHHRLJNMCQKKND-UHFFFAOYSA-N 0 1 525.697 5.155 50 0 KKAAMN Cc1nn(-c2cccc(F)c2)c(N2CCN(C(C)C)CC2)c1CN(C(=O)c1ccc(C(C)(C)C)cc1)C(C)C ZINC000034835710 554020003 /nfs/dbraw/zinc/02/00/03/554020003.db2.gz DQLJIWFBUGXGTO-UHFFFAOYSA-N 0 1 533.736 6.199 50 0 KKAAMN Cc1nn(-c2cccc(F)c2)c(N2CCN(C(C)C)CC2)c1CN(C(=O)Nc1ccc(C)cc1)C(C)C ZINC000034835888 554020360 /nfs/dbraw/zinc/02/03/60/554020360.db2.gz LMIYFOFLYBXWAV-UHFFFAOYSA-N 0 1 506.670 5.601 50 0 KKAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CSc3nc(-c4ccccc4)c(-c4ccccc4)o3)cc2)n1 ZINC000097985360 554023100 /nfs/dbraw/zinc/02/31/00/554023100.db2.gz HMYRCMYCGAIAAL-UHFFFAOYSA-N 0 1 571.684 5.947 50 0 KKAAMN Cc1sc(N[P@@](=O)(/C=C(/Cl)c2ccccc2)/C=C(\Cl)c2ccccc2)nc1-c1ccccc1 ZINC000035132221 554035171 /nfs/dbraw/zinc/03/51/71/554035171.db2.gz VKFMAQRNMMLZJQ-QFFDILLMSA-N 0 1 511.414 9.283 50 0 KKAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(Cl)cc1)C(c1ccc(Br)cc1)=N2 ZINC000035397216 554048146 /nfs/dbraw/zinc/04/81/46/554048146.db2.gz PERCDTZFHDCAAO-UHFFFAOYSA-N 0 1 519.896 5.488 50 0 KKAAMN Cc1ccc(N2C(=O)[C@@H](C)S[C@]23c2ccccc2N(CN2CCN(C(c4ccccc4)c4ccccc4)CC2)C3=O)cc1Cl ZINC000098003540 554054740 /nfs/dbraw/zinc/05/47/40/554054740.db2.gz QIOMEZZNUTWCQZ-MJVKXCJRSA-N 0 1 623.222 6.681 50 0 KKAAMN Cc1ccc(N2C(=O)[C@H](C)S[C@@]23c2ccccc2N(CN2CCN(C(c4ccccc4)c4ccccc4)CC2)C3=O)cc1Cl ZINC000098003537 554054798 /nfs/dbraw/zinc/05/47/98/554054798.db2.gz QIOMEZZNUTWCQZ-RGJYROARSA-N 0 1 623.222 6.681 50 0 KKAAMN CCOP(=O)(OCC)[C@H](NC(=O)c1ccc(C)cc1)c1nnc(-c2cc(-c3cc(C)ccc3O)n[nH]2)o1 ZINC000035681976 554063031 /nfs/dbraw/zinc/06/30/31/554063031.db2.gz SXUKFZDYBHVXJV-VWLOTQADSA-N 0 1 525.502 5.144 50 0 KKAAMN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CCN2CCCCC2)C(=O)c2ccc(Cl)cc2)o1 ZINC000035809325 554078028 /nfs/dbraw/zinc/07/80/28/554078028.db2.gz WJOLUNJHYWMNPF-UHFFFAOYSA-N 0 1 522.089 5.441 50 0 KKAAMN Cc1ccccc1Cc1[nH]n(-c2ccccc2C)c(=O)c1C=C1NC(=O)N(Cc2ccc(F)cc2F)C1=O ZINC000035829522 554079544 /nfs/dbraw/zinc/07/95/44/554079544.db2.gz WZOCXSQBMMSUFY-MYYYXRDXSA-N 0 1 514.532 5.157 50 0 KKAAMN O=C(NCc1ccncc1)c1ccc(CSc2nc(N3CCN(Cc4ccccc4)CC3)cc(C(F)(F)F)n2)o1 ZINC000098015113 554095779 /nfs/dbraw/zinc/09/57/79/554095779.db2.gz UOOKOLVUONJUOI-UHFFFAOYSA-N 0 1 568.625 5.028 50 0 KKAAMN CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCCN(Cc3cc(OC)ccc3OC)CC2)n1 ZINC000035924696 554097110 /nfs/dbraw/zinc/09/71/10/554097110.db2.gz TVKVYQZRMUSTDF-UHFFFAOYSA-N 0 1 514.674 5.196 50 0 KKAAMN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CCN2CCCCC2)C(=O)c2ccc(Cl)c(Cl)c2)cc1OC ZINC000098019702 554114177 /nfs/dbraw/zinc/11/41/77/554114177.db2.gz ZGRVQOHLGXJHQI-UHFFFAOYSA-N 0 1 616.586 6.112 50 0 KKAAMN COc1ccc2[nH]c(SCC(=O)Nc3ccc(NC(=O)CSc4nc5ccc(OC)cc5[nH]4)cc3Cl)nc2c1 ZINC000098043360 554126785 /nfs/dbraw/zinc/12/67/85/554126785.db2.gz HSUZQNAHJAGECM-UHFFFAOYSA-N 0 1 583.095 5.571 50 0 KKAAMN COc1ccc2[nH]c(SCC(=O)Nc3ccc(NC(=O)CSc4nc5ccc(OC)cc5[nH]4)c(Cl)c3)nc2c1 ZINC000098043360 554126788 /nfs/dbraw/zinc/12/67/88/554126788.db2.gz HSUZQNAHJAGECM-UHFFFAOYSA-N 0 1 583.095 5.571 50 0 KKAAMN COc1ccc(OC)c([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Br)cc2)c1 ZINC000098049892 554169817 /nfs/dbraw/zinc/16/98/17/554169817.db2.gz DZFZCMMXFVROTD-FCHUYYIVSA-N 0 1 645.120 6.833 50 0 KKAAMN CCOc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cccc(OC)c2)cc1 ZINC000098049909 554170200 /nfs/dbraw/zinc/17/02/00/554170200.db2.gz NNCYTMBSSWBQKG-PKTZIBPZSA-N 0 1 580.251 6.460 50 0 KKAAMN CCOc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cc(Cl)cc(Cl)c2)cc1 ZINC000098049947 554170363 /nfs/dbraw/zinc/17/03/63/554170363.db2.gz HTEDPRISVQKJTI-FGZHOGPDSA-N 0 1 619.115 7.758 50 0 KKAAMN COc1ccc(OC)c([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cccc(C(F)(F)F)c2)c1 ZINC000098049956 554170442 /nfs/dbraw/zinc/17/04/42/554170442.db2.gz ZVORIYMOBHTXBH-FCHUYYIVSA-N 0 1 634.221 7.089 50 0 KKAAMN CCOc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000098049937 554170461 /nfs/dbraw/zinc/17/04/61/554170461.db2.gz HATLHKXVGYEPPY-YADHBBJMSA-N 0 1 629.121 7.214 50 0 KKAAMN COc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(C)c2)cc1Br ZINC000098049962 554170733 /nfs/dbraw/zinc/17/07/33/554170733.db2.gz TURSNAHHBDFBJS-GOTSBHOMSA-N 0 1 643.148 7.441 50 0 KKAAMN CCCCOc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000098049979 554170787 /nfs/dbraw/zinc/17/07/87/554170787.db2.gz ZFEMEZTYAWOJRD-DNQXCXABSA-N 0 1 657.175 7.994 50 0 KKAAMN COc1ccc(OC)c([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cc(Cl)ccc2C)c1 ZINC000098049986 554170822 /nfs/dbraw/zinc/17/08/22/554170822.db2.gz JMEDVICHYWTRPT-XZOQPEGZSA-N 0 1 614.696 7.032 50 0 KKAAMN COc1ccc(OC)c([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(F)c2)c1 ZINC000098050011 554171010 /nfs/dbraw/zinc/17/10/10/554171010.db2.gz ZWAPFFVMJYOOEU-PKTZIBPZSA-N 0 1 598.241 6.518 50 0 KKAAMN COc1ccc(OC)c([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Br)c(C)c2)c1 ZINC000098050015 554171036 /nfs/dbraw/zinc/17/10/36/554171036.db2.gz XLZPCXJJRCZLCT-PKTZIBPZSA-N 0 1 659.147 7.141 50 0 KKAAMN COc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cc(Cl)cc(Cl)c2)cc1Br ZINC000098050023 554171056 /nfs/dbraw/zinc/17/10/56/554171056.db2.gz IYZHXUPTMOHZHJ-RTWAWAEBSA-N 0 1 683.984 8.131 50 0 KKAAMN CCOc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Cl)c(Cl)c2)cc1 ZINC000098050027 554171409 /nfs/dbraw/zinc/17/14/09/554171409.db2.gz KGQBYAKAXUZSSY-YADHBBJMSA-N 0 1 619.115 7.758 50 0 KKAAMN COc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cc(Cl)cc(Cl)c2)cc1Br ZINC000098050025 554171414 /nfs/dbraw/zinc/17/14/14/554171414.db2.gz IYZHXUPTMOHZHJ-NHCUHLMSSA-N 0 1 683.984 8.131 50 0 KKAAMN COc1ccc(OC)c([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cccc(Cl)c2C)c1 ZINC000098050064 554171789 /nfs/dbraw/zinc/17/17/89/554171789.db2.gz KDTTYIWLQKEKLR-GOTSBHOMSA-N 0 1 614.696 7.032 50 0 KKAAMN COc1ccc(OC)c([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(F)cc2)c1 ZINC000098050095 554171967 /nfs/dbraw/zinc/17/19/67/554171967.db2.gz XAIXPIXCUWGUMM-YADHBBJMSA-N 0 1 584.214 6.209 50 0 KKAAMN O[C@H](COCc1ccco1)CN(Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146791 554198147 /nfs/dbraw/zinc/19/81/47/554198147.db2.gz NWXYRCUVHTYKDD-UNMCSNQZSA-N 0 1 507.389 5.298 50 0 KKAAMN Cc1ccc(CN(Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)Cc2ccccc2)cc1 ZINC000036157130 554198739 /nfs/dbraw/zinc/19/87/39/554198739.db2.gz ALZMBABESGATEL-UHFFFAOYSA-N 0 1 509.596 7.353 50 0 KKAAMN Cc1ccc(CN(Cc2ccc(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)o2)Cc2ccccc2)cc1 ZINC000036157134 554198722 /nfs/dbraw/zinc/19/87/22/554198722.db2.gz ALPFBKUYDBPFEL-UHFFFAOYSA-N 0 1 509.596 7.353 50 0 KKAAMN Cc1ccccc1CN(Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)C[C@H]1CCCO1 ZINC000036203252 554201099 /nfs/dbraw/zinc/20/10/99/554201099.db2.gz IMFHNUOKKPMJII-MUUNZHRXSA-N 0 1 503.589 6.332 50 0 KKAAMN COc1ccc(C(O)(c2ccc(CN(Cc3ccccc3C)C[C@H]3CCCO3)o2)c2ccc(OC)cc2)cc1 ZINC000036203200 554201161 /nfs/dbraw/zinc/20/11/61/554201161.db2.gz INJLQJGIFXVUKB-SSEXGKCCSA-N 0 1 527.661 6.071 50 0 KKAAMN CCc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1CN(C[C@H](O)COCc1ccccc1)C(C)C ZINC000036303430 554213370 /nfs/dbraw/zinc/21/33/70/554213370.db2.gz HKQGNEHQNXNDKF-MHZLTWQESA-N 0 1 517.645 6.154 50 0 KKAAMN Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1CN(C[C@H](O)COCc1ccccc1)CC1CC1 ZINC000036303574 554213847 /nfs/dbraw/zinc/21/38/47/554213847.db2.gz RISILECNKILUOF-MHZLTWQESA-N 0 1 532.084 6.416 50 0 KKAAMN CCc1nc(-c2ccccc2)nc(N2CCN(C[C@H](O)Cc3ccccc3)CC2)c1Cc1ccccc1F ZINC000036340834 554220279 /nfs/dbraw/zinc/22/02/79/554220279.db2.gz UKKJOKZIBJUBKE-HHHXNRCGSA-N 0 1 510.657 5.162 50 0 KKAAMN O=C(CN1CCC(Cc2ccccc2)CC1)N1N=C(c2ccccc2Cl)C[C@H]1c1ccc2c(c1)OCO2 ZINC000036341807 554221168 /nfs/dbraw/zinc/22/11/68/554221168.db2.gz OXYNZKZHBUNJBH-MHZLTWQESA-N 0 1 516.041 5.701 50 0 KKAAMN COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)CN2CCC(Cc3ccccc3)CC2)c(OC)c1 ZINC000036343395 554221940 /nfs/dbraw/zinc/22/19/40/554221940.db2.gz BSSHVTWCHBDTGL-SSEXGKCCSA-N 0 1 511.666 5.645 50 0 KKAAMN Nc1c2c(nn1Cc1ccccc1)nc(N1CCN(Cc3ccccc3)CC1)nc2-c1cccc(Cl)c1 ZINC000037359587 554235121 /nfs/dbraw/zinc/23/51/21/554235121.db2.gz VQJRFYSUMUILOJ-UHFFFAOYSA-N 0 1 510.045 5.099 50 0 KKAAMN CC(C)(C)C(=O)N1CCc2ccc(OCc3ccc(C(=O)NCCN4CCCC4)o3)cc2[C@H]1c1ccccc1 ZINC000037605262 554256789 /nfs/dbraw/zinc/25/67/89/554256789.db2.gz PIAFIGDRBAWFBQ-GDLZYMKVSA-N 0 1 529.681 5.204 50 0 KKAAMN CCOc1ccc(NC(=O)CSC2=NC3(CCN(CC)CC3)N=C2c2ccc(C(C)(C)C)cc2)cc1 ZINC000045912786 554314007 /nfs/dbraw/zinc/31/40/07/554314007.db2.gz HMSSVNRZULBRLG-UHFFFAOYSA-N 0 1 506.716 5.768 50 0 KKAAMN O=C(Nc1ccc2[nH]c(-c3ccc(-c4nc5ccc(NC(=O)c6cccs6)cc5[nH]4)cc3)nc2c1)c1cccs1 ZINC000050861485 554328158 /nfs/dbraw/zinc/32/81/58/554328158.db2.gz QYEDWQCDMJVZHX-UHFFFAOYSA-N 0 1 560.664 7.401 50 0 KKAAMN Cc1cc(Nc2nc3ccccc3nc2N2CCN(Cc3ccccc3)CC2)n(-c2nc3ccccc3n2C)n1 ZINC000052634583 554329628 /nfs/dbraw/zinc/32/96/28/554329628.db2.gz ZUBIQVMAWVFHQS-UHFFFAOYSA-N 0 1 529.652 5.076 50 0 KKAAMN CC(C)(C)c1cc(N2CCN(CCOc3cccc4ccccc43)CC2)n2ncc(-c3ccccc3)c2n1 ZINC000054284476 554349419 /nfs/dbraw/zinc/34/94/19/554349419.db2.gz VCBMHVKKURYPMQ-UHFFFAOYSA-N 0 1 505.666 6.048 50 0 KKAAMN COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000057222734 554352643 /nfs/dbraw/zinc/35/26/43/554352643.db2.gz WWKBNOMYLXYSQB-UHFFFAOYSA-N 0 1 505.618 5.715 50 0 KKAAMN O=C1C(=Nc2ccc(OC(F)(F)F)cc2)C[C@@H](c2ccc(Cl)cc2)N1c1ccc(OC(F)(F)F)cc1 ZINC000100384688 554364507 /nfs/dbraw/zinc/36/45/07/554364507.db2.gz OQFRJXYENKECTP-NRFANRHFSA-N 0 1 528.836 7.221 50 0 KKAAMN COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cc(Br)ccc2Cl)c1 ZINC000100405063 554373167 /nfs/dbraw/zinc/37/31/67/554373167.db2.gz MNZJKEQUSTVFTB-UHFFFAOYSA-N 0 1 542.861 5.464 50 0 KKAAMN COc1ccc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)cc1OC ZINC000100425643 554386991 /nfs/dbraw/zinc/38/69/91/554386991.db2.gz FVJKDAFAUQNRTJ-XHCCPWGMSA-N 0 1 522.523 6.816 50 0 KKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@H]3c2ccc(Cl)cc2)cc1OC ZINC000100426512 554388317 /nfs/dbraw/zinc/38/83/17/554388317.db2.gz SOJSSVZPBXSFFM-IANOAQMISA-N 0 1 565.069 8.221 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000100426499 554388446 /nfs/dbraw/zinc/38/84/46/554388446.db2.gz ZWHCYGGACPIZJJ-NHRFMIRVSA-N 0 1 559.106 8.488 50 0 KKAAMN COc1cccc([C@H]2C3=C(C[C@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000100426932 554389036 /nfs/dbraw/zinc/38/90/36/554389036.db2.gz CHKZUCRISBPPNW-MNAQKMTRSA-N 0 1 602.493 9.397 50 0 KKAAMN CC(=O)Oc1cccc([C@@H]2C3=C(C[C@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(C)=O)c1 ZINC000100426872 554389131 /nfs/dbraw/zinc/38/91/31/554389131.db2.gz VHCWFEBLOFHDDQ-KCWXNJEJSA-N 0 1 500.982 6.835 50 0 KKAAMN O=C(N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cccc(Cl)c1)C(F)(F)F ZINC000100426829 554389168 /nfs/dbraw/zinc/38/91/68/554389168.db2.gz HOSLRBUSDSJILQ-GKVSMKOHSA-N 0 1 531.361 8.106 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccs1 ZINC000100426992 554389221 /nfs/dbraw/zinc/38/92/21/554389221.db2.gz PRJWXSXABUUHRX-UKPGIYTDSA-N 0 1 530.690 7.896 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(F)cc1 ZINC000100427009 554389423 /nfs/dbraw/zinc/38/94/23/554389423.db2.gz XWCCDTUDGOVXJH-PVAZPRTOSA-N 0 1 542.651 7.973 50 0 KKAAMN CCCCCC(=O)N1c2cc(C)ccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(F)cc1 ZINC000100427141 554389558 /nfs/dbraw/zinc/38/95/58/554389558.db2.gz HTAHLXXJRMCQKD-GJBXTBEHSA-N 0 1 526.652 8.273 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000100429458 554390461 /nfs/dbraw/zinc/39/04/61/554390461.db2.gz DUJRNMOANRJRBT-WOPWWUTRSA-N 0 1 554.687 7.843 50 0 KKAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2ccc(F)cc2)cc1 ZINC000100574990 554422685 /nfs/dbraw/zinc/42/26/85/554422685.db2.gz RNAHJLXPXFUPAG-LEWJYISDSA-N 0 1 538.189 6.500 50 0 KKAAMN Cc1ccc(F)cc1N1C(=O)C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@H]1c1ccc2c(c1)OCO2 ZINC000100578042 554423991 /nfs/dbraw/zinc/42/39/91/554423991.db2.gz YAMVVGQQVHIQAK-FGZHOGPDSA-N 0 1 582.198 6.229 50 0 KKAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2ccc3c(c2)OCO3)cc1F ZINC000100578136 554424141 /nfs/dbraw/zinc/42/41/41/554424141.db2.gz QDFVZXHLNMUFOH-YADHBBJMSA-N 0 1 582.198 6.229 50 0 KKAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2ccc3c(c2)OCO3)cc1F ZINC000100578139 554424428 /nfs/dbraw/zinc/42/44/28/554424428.db2.gz QDFVZXHLNMUFOH-VXKWHMMOSA-N 0 1 582.198 6.229 50 0 KKAAMN Cc1cc(Cl)ccc1N1C(=O)C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@@H]1c1ccc2c(c1)OCO2 ZINC000100581963 554425046 /nfs/dbraw/zinc/42/50/46/554425046.db2.gz JFQYPYCRMBSDBV-VXKWHMMOSA-N 0 1 598.653 6.743 50 0 KKAAMN O=C1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@H](c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000100582669 554425437 /nfs/dbraw/zinc/42/54/37/554425437.db2.gz AVTMQTVCJMFYLK-VQTJNVASSA-N 0 1 558.607 6.845 50 0 KKAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2ccc(F)cc2)cc1F ZINC000100584282 554425701 /nfs/dbraw/zinc/42/57/01/554425701.db2.gz COXXCZRDUJMZMP-LEWJYISDSA-N 0 1 556.179 6.640 50 0 KKAAMN Cc1ccc(Cl)cc1N1C(=O)C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@@H]1c1cccc(F)c1 ZINC000100584627 554426181 /nfs/dbraw/zinc/42/61/81/554426181.db2.gz KQGVFQWANVKWPB-LEWJYISDSA-N 0 1 572.634 7.154 50 0 KKAAMN Cc1cc(Cl)ccc1N1C(=O)C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@@H]1c1cccc(F)c1 ZINC000100585833 554426445 /nfs/dbraw/zinc/42/64/45/554426445.db2.gz PJBVBEQPKMVHRU-SFTDATJTSA-N 0 1 572.634 7.154 50 0 KKAAMN COc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(F)c2)cc1OC ZINC000100585991 554426670 /nfs/dbraw/zinc/42/66/70/554426670.db2.gz AXHRWUZOZXMFDG-GOTSBHOMSA-N 0 1 598.241 6.518 50 0 KKAAMN COc1ccc(-c2[nH]nc3c2[C@H](c2ccc(Br)cc2)N(CCc2ccc(OC)c(OC)c2)C3=O)cc1 ZINC000059796262 554430385 /nfs/dbraw/zinc/43/03/85/554430385.db2.gz PPCFSYZUWPYTSV-MHZLTWQESA-N 0 1 548.437 5.653 50 0 KKAAMN O=C(Nc1ccc(Cl)cc1)[C@H]1C(C(=O)c2ccco2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000100849192 554492155 /nfs/dbraw/zinc/49/21/55/554492155.db2.gz CZMMBSYTMMDSBZ-KUYWTNKVSA-N 0 1 535.987 5.545 50 0 KKAAMN O=C(Nc1ccc(Cl)cc1)[C@H]1[C@@H](C(=O)c2ccco2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000100849192 554492156 /nfs/dbraw/zinc/49/21/56/554492156.db2.gz CZMMBSYTMMDSBZ-KUYWTNKVSA-N 0 1 535.987 5.545 50 0 KKAAMN CSc1ccc([C@@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000064557924 554511687 /nfs/dbraw/zinc/51/16/87/554511687.db2.gz DUIGBZNSPCEJFQ-HXUWFJFHSA-N 0 1 516.438 5.502 50 0 KKAAMN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C(=O)c2ccccc2)[C@@H](c2c(C)[nH]n(-c3ccccc3)c2=O)c2ccc(Cl)cc2)cc1 ZINC000101025594 554563884 /nfs/dbraw/zinc/56/38/84/554563884.db2.gz OBMCOVIZKCECDR-FIRIVFDPSA-N 0 1 629.138 5.860 50 0 KKAAMN Clc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2OC32CCN(Cc3ccccc3)CC2)c(Cl)c1 ZINC000101092059 554583015 /nfs/dbraw/zinc/58/30/15/554583015.db2.gz XBAOWEWDCZXQFW-RUZDIDTESA-N 0 1 557.319 7.292 50 0 KKAAMN Clc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2OC32CCN(Cc3ccccc3)CC2)c(Cl)c1 ZINC000101092055 554583064 /nfs/dbraw/zinc/58/30/64/554583064.db2.gz XBAOWEWDCZXQFW-VWLOTQADSA-N 0 1 557.319 7.292 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000101099905 554586823 /nfs/dbraw/zinc/58/68/23/554586823.db2.gz KBXMLDLMDMWVHZ-ZXFZPVEDSA-N 0 1 524.620 6.241 50 0 KKAAMN COc1cc([C@H]2C3=C(C[C@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc(OC)c1OC ZINC000101100341 554587177 /nfs/dbraw/zinc/58/71/77/554587177.db2.gz XPRHXNVPPJJLAT-HOYUZMNJSA-N 0 1 616.758 8.874 50 0 KKAAMN CCOc1cc([C@@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1 ZINC000101100376 554587444 /nfs/dbraw/zinc/58/74/44/554587444.db2.gz QRJBMNROSUAROU-ZTUXGFDNSA-N 0 1 623.149 8.896 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000101101129 554587996 /nfs/dbraw/zinc/58/79/96/554587996.db2.gz DVTBURAJNPLUJK-XAEBNIDXSA-N 0 1 520.629 5.674 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(OCCC)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000101131478 554650260 /nfs/dbraw/zinc/65/02/60/554650260.db2.gz KJDHSCHCWVWFPI-OCBJUFRSSA-N 0 1 544.648 6.104 50 0 KKAAMN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OCCC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000101131478 554650262 /nfs/dbraw/zinc/65/02/62/554650262.db2.gz KJDHSCHCWVWFPI-OCBJUFRSSA-N 0 1 544.648 6.104 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000101147246 554656345 /nfs/dbraw/zinc/65/63/45/554656345.db2.gz KMIKRSANLJWQSH-GXIQWAOMSA-N 0 1 534.656 5.982 50 0 KKAAMN O=C(Oc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1)c1ccccc1 ZINC000101152999 554657810 /nfs/dbraw/zinc/65/78/10/554657810.db2.gz AZTWLJFHYAFNLG-PFBJBMPXSA-N 0 1 524.960 5.610 50 0 KKAAMN Cc1ccc2c(c1)N1[C@H](C=C2)[C@@]2(C(=O)Nc3ccccc32)C(=C(O)c2ccc(Cl)cc2)[C@H]1C(=O)c1ccccc1 ZINC000101191887 554670770 /nfs/dbraw/zinc/67/07/70/554670770.db2.gz CYUVEEDKXBYBAR-WFPUBZAHSA-N 0 1 545.038 6.505 50 0 KKAAMN O=C(c1ccccc1F)[C@@H]1C(=C(O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000101196354 554672255 /nfs/dbraw/zinc/67/22/55/554672255.db2.gz MIISEJWQKNWLNG-UUQNIDNHSA-N 0 1 532.546 5.821 50 0 KKAAMN Cc1ccc(C(O)=C2[C@@H](C(=O)c3cccs3)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000101204633 554674735 /nfs/dbraw/zinc/67/47/35/554674735.db2.gz GNARQZJKIVFXNO-UUQNIDNHSA-N 0 1 530.649 6.303 50 0 KKAAMN CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(=C(O)c1ccccc1)[C@]21C(=O)Nc2ccccc21 ZINC000101208533 554677705 /nfs/dbraw/zinc/67/77/05/554677705.db2.gz GKXMUNUXSDHWSP-QODLHPCFSA-N 0 1 516.622 5.994 50 0 KKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(F)ccc3N21 ZINC000101250687 554694039 /nfs/dbraw/zinc/69/40/39/554694039.db2.gz AGKBOHNBAXQCCL-KALPRAJFSA-N 0 1 531.381 5.150 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000101254824 554695569 /nfs/dbraw/zinc/69/55/69/554695569.db2.gz WRWGMUDWADOOMG-YTTGMZPUSA-N 0 1 629.827 5.023 50 0 KKAAMN O=C(C[C@@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1CCCN1CCN(Cc2ccccc2)CC1)Nc1ccc(F)cc1 ZINC000101255154 554696561 /nfs/dbraw/zinc/69/65/61/554696561.db2.gz SZYWYLIXTSSIGU-MUUNZHRXSA-N 0 1 594.156 5.018 50 0 KKAAMN C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000101341546 554735527 /nfs/dbraw/zinc/73/55/27/554735527.db2.gz YFGKOZWXRWYBSB-RCRUUEGKSA-N 0 1 583.795 5.444 50 0 KKAAMN CCCOc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000101350109 554738033 /nfs/dbraw/zinc/73/80/33/554738033.db2.gz DNOKAXFGBOMXBG-UHFFFAOYSA-N 0 1 551.687 5.268 50 0 KKAAMN Cc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccc(Cl)cc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000101361020 554742496 /nfs/dbraw/zinc/74/24/96/554742496.db2.gz LXVVKALZLAJWHU-CDACFMRSSA-N 0 1 545.038 6.505 50 0 KKAAMN COc1cccc(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000101361033 554742761 /nfs/dbraw/zinc/74/27/61/554742761.db2.gz XRENAJQEJDRCEY-IDSQFFPFSA-N 0 1 532.621 5.613 50 0 KKAAMN CN1C(=O)/C(=C/c2ccccc2F)Sc2ccc(C(=O)NCCCN3CCN(c4ccc(F)cc4)CC3)cc21 ZINC000101373601 554745480 /nfs/dbraw/zinc/74/54/80/554745480.db2.gz ICXHNXMIIFLMBZ-RRAHZORUSA-N 0 1 548.659 5.017 50 0 KKAAMN COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000101373468 554745488 /nfs/dbraw/zinc/74/54/88/554745488.db2.gz MKSKONVZMMHRBM-DJUQAAIZSA-N 0 1 522.601 6.442 50 0 KKAAMN COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000101373469 554745534 /nfs/dbraw/zinc/74/55/34/554745534.db2.gz MKSKONVZMMHRBM-YUDQIZAISA-N 0 1 522.601 6.442 50 0 KKAAMN CN1C(=O)/C(=C/c2cccc(Cl)c2)Sc2ccc(C(=O)NCCCN3CCN(c4ccc(F)cc4)CC3)cc21 ZINC000101373467 554745557 /nfs/dbraw/zinc/74/55/57/554745557.db2.gz KMDFRJJLAJNWMI-USHMODERSA-N 0 1 565.114 5.531 50 0 KKAAMN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C=Cc2ccccc2)[C@H]3c2cccnc2)cc1 ZINC000101383413 554748734 /nfs/dbraw/zinc/74/87/34/554748734.db2.gz CPPNKGWJPYMOPK-LMKDROEOSA-N 0 1 511.625 7.654 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(C(=O)OC)cc1 ZINC000101434468 554771833 /nfs/dbraw/zinc/77/18/33/554771833.db2.gz XPXZBFGIKFTXKC-NLGDKJDOSA-N 0 1 522.645 7.604 50 0 KKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)Cc2ccccc2)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101468917 554781420 /nfs/dbraw/zinc/78/14/20/554781420.db2.gz OQBGXHBVCMGNAE-GNTYDJQKSA-N 0 1 604.703 7.514 50 0 KKAAMN CCOc1cc([C@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1 ZINC000101477733 554782924 /nfs/dbraw/zinc/78/29/24/554782924.db2.gz OLYXMMKZOLFIFH-AIJWEMPKSA-N 0 1 607.150 9.196 50 0 KKAAMN CCOc1cc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1 ZINC000101481748 554784358 /nfs/dbraw/zinc/78/43/58/554784358.db2.gz IACWEKZYYKMQGF-HGGZLQRRSA-N 0 1 593.123 8.888 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000101486597 554785331 /nfs/dbraw/zinc/78/53/31/554785331.db2.gz SMWWACBBGOWMGH-RCRUUEGKSA-N 0 1 512.606 7.197 50 0 KKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C=Cc2ccccc2)[C@H]3c2ccc(F)cc2)cc1 ZINC000101485844 554785353 /nfs/dbraw/zinc/78/53/53/554785353.db2.gz RNYXOHFKRCQICB-NZYQLMHLSA-N 0 1 544.626 8.098 50 0 KKAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)[C@H]3c4ccccc4C(=O)N(CC(C)C)[C@@H]3c3cccs3)CC2)c1 ZINC000101617916 554806420 /nfs/dbraw/zinc/80/64/20/554806420.db2.gz SYXQMQSCOLPHNI-IOWSJCHKSA-N 0 1 558.792 5.630 50 0 KKAAMN COc1ccccc1N1CCN(CCCNC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)CC1 ZINC000101618206 554806685 /nfs/dbraw/zinc/80/66/85/554806685.db2.gz PKYUEYFDSJUJFQ-KYJUHHDHSA-N 0 1 560.764 5.022 50 0 KKAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)[C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3cccs3)CC2)c1 ZINC000101618670 554806710 /nfs/dbraw/zinc/80/67/10/554806710.db2.gz FXZDDLBXFPVEOS-ROJLCIKYSA-N 0 1 570.803 5.917 50 0 KKAAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](c1ccc(Cl)cc1)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000101625392 554810987 /nfs/dbraw/zinc/81/09/87/554810987.db2.gz MRDJQDOFPWKMIJ-WDYNHAJCSA-N 0 1 590.076 6.041 50 0 KKAAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](c1ccc(Cl)cc1)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000101625400 554811143 /nfs/dbraw/zinc/81/11/43/554811143.db2.gz MRDJQDOFPWKMIJ-FQLXRVMXSA-N 0 1 590.076 6.041 50 0 KKAAMN O=C(NCCN1CCN(Cc2ccccc2)CC1)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1 ZINC000101637953 554813865 /nfs/dbraw/zinc/81/38/65/554813865.db2.gz DZKZDRBQLDWYLE-JGRMKTMXSA-N 0 1 623.222 6.568 50 0 KKAAMN COc1ccccc1-c1nc2c3c(ncn2n1)Oc1c(c(C)nn1-c1ccc(Cl)cc1)C3c1ccccc1OC ZINC000101673260 554826962 /nfs/dbraw/zinc/82/69/62/554826962.db2.gz PQEAVMXYPYLYSB-RUZDIDTESA-N 0 1 551.006 6.242 50 0 KKAAMN COc1ccccc1-c1nc2c3c(ncn2n1)Oc1c(c(C)nn1-c1cccc(Cl)c1)C3c1ccccc1OC ZINC000101673307 554826981 /nfs/dbraw/zinc/82/69/81/554826981.db2.gz XYVWSFADKRUAMG-RUZDIDTESA-N 0 1 551.006 6.242 50 0 KKAAMN O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)CS2 ZINC000101677457 554828115 /nfs/dbraw/zinc/82/81/15/554828115.db2.gz LWXMOXGWRANYBK-UHFFFAOYSA-N 0 1 587.548 5.714 50 0 KKAAMN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000101869347 554845394 /nfs/dbraw/zinc/84/53/94/554845394.db2.gz PFNHGSLWBQCDJH-DEOSSOPVSA-N 0 1 545.753 5.465 50 0 KKAAMN CCOCCC[N@H+](C)C1CCN(C(=O)c2oc3ccccc3c2[N-]C(=O)c2cc(-c3ccc(OC)cc3)on2)CC1 ZINC000101917492 554850936 /nfs/dbraw/zinc/85/09/36/554850936.db2.gz NVFONCQMTXUTEG-UHFFFAOYSA-N 0 1 560.651 5.312 50 0 KKAAMN CCOCCC[N@@H+](C)C1CCN(C(=O)c2oc3ccccc3c2[N-]C(=O)c2cc(-c3ccc(OC)cc3)on2)CC1 ZINC000101917492 554850938 /nfs/dbraw/zinc/85/09/38/554850938.db2.gz NVFONCQMTXUTEG-UHFFFAOYSA-N 0 1 560.651 5.312 50 0 KKAAMN COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000101972637 554860585 /nfs/dbraw/zinc/86/05/85/554860585.db2.gz SOUVLAYRZCYUOU-LOSJGSFVSA-N 0 1 533.053 5.835 50 0 KKAAMN CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)ccc1OC(=O)c1cccc2ccccc21 ZINC000102096558 554879397 /nfs/dbraw/zinc/87/93/97/554879397.db2.gz BVAVQFUZFPRRSB-MUUNZHRXSA-N 0 1 541.673 6.715 50 0 KKAAMN CCN1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)c(OC(=O)c4ccc(C)cc4)c(OC)c2)N3)C1 ZINC000102099663 554881204 /nfs/dbraw/zinc/88/12/04/554881204.db2.gz WWGVJAPQMASXGF-QHCPKHFHSA-N 0 1 556.482 5.854 50 0 KKAAMN CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(CC)C4)ccc1OC(=O)c1ccc(Br)cc1 ZINC000102099465 554881264 /nfs/dbraw/zinc/88/12/64/554881264.db2.gz CFMACVDCZGUKLJ-HSZRJFAPSA-N 0 1 556.482 5.935 50 0 KKAAMN Cc1ccc(S(=O)(=O)C2=C(O)C(=O)N(c3ccc(Br)cc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000102227128 554899537 /nfs/dbraw/zinc/89/95/37/554899537.db2.gz BLTGDIYSSKZJJL-FQEVSTJZSA-N 0 1 518.816 5.742 50 0 KKAAMN CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000102233558 554900766 /nfs/dbraw/zinc/90/07/66/554900766.db2.gz KUMGJCZFZFYIDZ-UHFFFAOYSA-N 0 1 559.040 6.437 50 0 KKAAMN COc1ccc(NC(=O)CSC2=NC3(CCN(C)CC3)N=C2c2ccc(Br)cc2)cc1Cl ZINC000102243944 554903326 /nfs/dbraw/zinc/90/33/26/554903326.db2.gz RTIHIARDOYLXPH-UHFFFAOYSA-N 0 1 535.895 5.106 50 0 KKAAMN CCOC(=O)[C@H]1CCC[N@H+](C2CCN(C(=O)c3ccc(-c4ccsc4)nc3N(C)Cc3ccccc3)CC2)C1 ZINC000102633709 554990241 /nfs/dbraw/zinc/99/02/41/554990241.db2.gz ALDOUODBZYUHDC-DEOSSOPVSA-N 0 1 546.737 5.326 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1O[C@H](C)CC ZINC000102661331 555000492 /nfs/dbraw/zinc/00/04/92/555000492.db2.gz DHJWEZGWCLEEJH-PRUPKLHBSA-N 0 1 596.768 9.012 50 0 biogenic KKAAMN COCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COCC(C)C ZINC000102661950 555000716 /nfs/dbraw/zinc/00/07/16/555000716.db2.gz BGLJFUADGXHCHS-PMERELPUSA-N 0 1 565.799 5.409 50 0 KKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(C)C)[C@@H]3c2ccc(F)cc2)cc1OC ZINC000102666688 555001646 /nfs/dbraw/zinc/00/16/46/555001646.db2.gz OYZABXHOLDFULF-URAOTHONSA-N 0 1 514.597 7.049 50 0 KKAAMN CCOc1cc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc(Br)c1O ZINC000102760926 555052555 /nfs/dbraw/zinc/05/25/55/555052555.db2.gz RKPQVONPAYTESG-MQSCRBSSSA-N 0 1 543.801 5.258 50 0 KKAAMN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)Nc3ccc(N4C(=O)c5ccc(Cl)cc5C4=O)c(C)c3)cc21 ZINC000102793340 555071003 /nfs/dbraw/zinc/07/10/03/555071003.db2.gz HDKGRRDBFXFTKN-UHFFFAOYSA-N 0 1 602.894 5.311 50 0 KKAAMN C[C@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000102844038 555084107 /nfs/dbraw/zinc/08/41/07/555084107.db2.gz MUWRZPPTJKTLKH-CHJDUVSTSA-N 0 1 547.740 5.895 50 0 KKAAMN C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000102844035 555084141 /nfs/dbraw/zinc/08/41/41/555084141.db2.gz MUWRZPPTJKTLKH-RCRUUEGKSA-N 0 1 547.740 5.895 50 0 KKAAMN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)C(=O)c1cccc(Br)c1 ZINC000102850431 555085554 /nfs/dbraw/zinc/08/55/54/555085554.db2.gz VEOMWWAFUPGFIZ-OAQYLSRUSA-N 0 1 538.534 5.526 50 0 KKAAMN CCN(CC)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@H]3c2ccc(F)cc2)cc1 ZINC000102857303 555088613 /nfs/dbraw/zinc/08/86/13/555088613.db2.gz PVXJIQAFTSYTOC-URNDWHGUSA-N 0 1 559.685 8.536 50 0 KKAAMN Cc1ccc2c(c1)N(C(=O)c1cccs1)[C@@H](c1ccc(F)cc1)C1C(=O)C[C@@H](c3ccccc3)CC1=N2 ZINC000102859506 555090058 /nfs/dbraw/zinc/09/00/58/555090058.db2.gz JBKXINNTTNTKBV-CHJDUVSTSA-N 0 1 508.618 8.060 50 0 KKAAMN CC(C)(C)c1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=S)Nc2ccccc2)cc1 ZINC000102868781 555098125 /nfs/dbraw/zinc/09/81/25/555098125.db2.gz USIDMJVHJIEJPA-GDLZYMKVSA-N 0 1 509.719 8.647 50 0 KKAAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccc(F)cc2)C1 ZINC000102874554 555104541 /nfs/dbraw/zinc/10/45/41/555104541.db2.gz JSCKJRNVNNDXCC-AREMUKBSSA-N 0 1 519.414 7.695 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1ccncc1 ZINC000102874847 555104920 /nfs/dbraw/zinc/10/49/20/555104920.db2.gz KPMBPLTWDAALRC-INJOXJOKSA-N 0 1 521.705 8.510 50 0 KKAAMN O=C(N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1OCc1ccccc1)C(F)(F)F ZINC000102875377 555105494 /nfs/dbraw/zinc/10/54/94/555105494.db2.gz KXPMNHFHBJNLAF-BNHRFMORSA-N 0 1 568.595 8.378 50 0 KKAAMN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@H]3c2cccc(F)c2)cc(OC)c1OC ZINC000102881090 555109915 /nfs/dbraw/zinc/10/99/15/555109915.db2.gz DPQDHIYWHCXKSM-SOKVYYICSA-N 0 1 570.539 6.964 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@H]1c1cccc(OC)c1 ZINC000102881748 555110117 /nfs/dbraw/zinc/11/01/17/555110117.db2.gz DVJCOPSKTDTCTD-JPQMRUPTSA-N 0 1 512.625 7.965 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@@H]1c1cccc(OC)c1 ZINC000102881744 555110235 /nfs/dbraw/zinc/11/02/35/555110235.db2.gz DVJCOPSKTDTCTD-HEIROHQZSA-N 0 1 512.625 7.965 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)cc1OC ZINC000102885232 555115140 /nfs/dbraw/zinc/11/51/40/555115140.db2.gz BXXVVYZUTAEBKP-NXCFDTQHSA-N 0 1 551.437 5.688 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 ZINC000102885286 555115386 /nfs/dbraw/zinc/11/53/86/555115386.db2.gz GYJZEXAULJKPHL-IARZGTGTSA-N 0 1 554.986 5.619 50 0 KKAAMN CCNC(=S)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000102894436 555132483 /nfs/dbraw/zinc/13/24/83/555132483.db2.gz ZJKMVRZNYRVKBY-HKBQPEDESA-N 0 1 590.189 8.478 50 0 KKAAMN COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@@H]3c2ccc(F)cc2)c1 ZINC000102925387 555149745 /nfs/dbraw/zinc/14/97/45/555149745.db2.gz VZBQJXNIUMYPHG-GPNASLBKSA-N 0 1 518.588 7.698 50 0 KKAAMN O=C(c1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(Cl)cc1Cl)N1CCN(Cc2ccccc2)CC1 ZINC000102956864 555174214 /nfs/dbraw/zinc/17/42/14/555174214.db2.gz HDWHKWKWZWBEKC-UHFFFAOYSA-N 0 1 538.884 5.406 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)c2)ccc1C ZINC000102959387 555174958 /nfs/dbraw/zinc/17/49/58/555174958.db2.gz CPSKOSPIUIQMOY-NRFANRHFSA-N 0 1 591.711 5.197 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3OCC)C2)[C@@H]1c1ccc(OC)cc1 ZINC000102985403 555190494 /nfs/dbraw/zinc/19/04/94/555190494.db2.gz OEOQYAYJZKFKPJ-ZWVRTZEQSA-N 0 1 538.688 8.224 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ccc(C)cc3)C2=O)c1 ZINC000103005036 555203232 /nfs/dbraw/zinc/20/32/32/555203232.db2.gz WICKGADIHMKINY-XHPQRKPJSA-N 0 1 539.613 5.444 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ccccc3C)C2=O)c1 ZINC000103005151 555203319 /nfs/dbraw/zinc/20/33/19/555203319.db2.gz SOZYGKZUCGTTBM-PLRJNAJWSA-N 0 1 539.613 5.444 50 0 KKAAMN CC[C@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000103024524 555214786 /nfs/dbraw/zinc/21/47/86/555214786.db2.gz WPEAQGJSUIOEGF-IBGZPJMESA-N 0 1 546.518 6.209 50 0 KKAAMN CCN1CCN(c2c(CN(CC(C)C)C(=O)c3cccc(Br)c3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000103025005 555215223 /nfs/dbraw/zinc/21/52/23/555215223.db2.gz AICGEYJBSORPBM-UHFFFAOYSA-N 0 1 556.524 5.523 50 0 KKAAMN CCCCOc1ccc(C(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000103040148 555224869 /nfs/dbraw/zinc/22/48/69/555224869.db2.gz WRQAGDADNSFIDQ-IPBJYNAHSA-N 0 1 563.739 5.777 50 0 KKAAMN Cc1ccc(NS(=O)(=O)c2cc(NC(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)ccc2Cl)c(C)c1 ZINC000103048814 555230665 /nfs/dbraw/zinc/23/06/65/555230665.db2.gz ARNNJAFNXYIIHS-UHFFFAOYSA-N 0 1 563.488 6.192 50 0 KKAAMN CCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000103064959 555245374 /nfs/dbraw/zinc/24/53/74/555245374.db2.gz VCQKEMVKMAUUQW-WJOKGBTCSA-N 0 1 604.235 7.232 50 0 KKAAMN CCOC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)c1ccccc1NS(=O)(=O)c1cc(C(C)(C)C)ccc1C ZINC000103090080 555269105 /nfs/dbraw/zinc/26/91/05/555269105.db2.gz KXRGSNSTXDYTOU-UHFFFAOYSA-N 0 1 586.732 5.744 50 0 KKAAMN O=C(Nc1ccc(-n2[nH]c3c(c2=O)CN(C(=O)c2ccccc2)CC3)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000103108901 555284281 /nfs/dbraw/zinc/28/42/81/555284281.db2.gz PVLAUVGDKJTBSU-FQEVSTJZSA-N 0 1 522.392 5.502 50 0 KKAAMN CCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COCc1ccccc1 ZINC000103176376 555327450 /nfs/dbraw/zinc/32/74/50/555327450.db2.gz KCIUKKCHMJAGTE-JGCGQSQUSA-N 0 1 569.790 6.326 50 0 KKAAMN O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(C(=O)NC2CCCCC2)c1 ZINC000103190626 555333308 /nfs/dbraw/zinc/33/33/08/555333308.db2.gz DNMJAOHFVPNVMZ-UHFFFAOYSA-N 0 1 579.667 6.734 50 0 KKAAMN CC(C)c1ccc(NC(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000103363063 555365202 /nfs/dbraw/zinc/36/52/02/555365202.db2.gz FCXWUYCGGPJHNB-CHJDUVSTSA-N 0 1 548.728 6.113 50 0 KKAAMN O=C(NCCN1CCCCC1)c1csc(CN(CCC(c2ccccc2)c2ccccc2)Cc2ccc(Cl)cc2)n1 ZINC000103432143 555413787 /nfs/dbraw/zinc/41/37/87/555413787.db2.gz OJXBYYLOLJBPFB-UHFFFAOYSA-N 0 1 587.233 7.237 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3cccc(OC)c3)N3c4ccccc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103519248 555424600 /nfs/dbraw/zinc/42/46/00/555424600.db2.gz ZTYDDRLGGLFHNO-CUTZTJRCSA-N 0 1 570.645 5.950 50 0 KKAAMN C[C@@H]1CCCCN1CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000169355777 562863783 /nfs/dbraw/zinc/86/37/83/562863783.db2.gz DAHYKHKOXKQRNL-SHUBACIRSA-N 0 1 536.097 5.271 50 0 KKAAMN Cc1ccc2c(c1C)NC(=O)[C@@]21N2CCC[C@@H]2[C@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000248342633 562881661 /nfs/dbraw/zinc/88/16/61/562881661.db2.gz YOTKJXYNGWBHAW-FSUFCWANSA-N 0 1 527.624 5.471 50 0 KKAAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)Nc3ccc(Cl)c(Cl)c3)[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000104062882 571372065 /nfs/dbraw/zinc/37/20/65/571372065.db2.gz RJXOJPFMSCJPQY-AREMUKBSSA-N 0 1 575.323 9.798 50 0 KKAAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)NC34CC5CC(CC(C5)C3)C4)[C@H]2c2ccc(Cl)cc2)C1 ZINC000104103602 571373965 /nfs/dbraw/zinc/37/39/65/571373965.db2.gz RLVXDOGQCUIIFW-UVZMICEWSA-N 0 1 530.112 8.284 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000105796425 571408715 /nfs/dbraw/zinc/40/87/15/571408715.db2.gz SNCHPGRCAVKONL-MPFGFTFXSA-N 0 1 619.899 6.741 50 0 KKAAMN CCOc1cc([C@@H]2c3c(O)n(-c4cccc(Cl)c4C)c(O)c3ON2c2ccccc2)cc(Br)c1O ZINC000106019503 571410692 /nfs/dbraw/zinc/41/06/92/571410692.db2.gz WSAKJUCXDCNCCF-CQOQZXRMSA-N 0 1 557.828 5.566 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000106535950 571412954 /nfs/dbraw/zinc/41/29/54/571412954.db2.gz KMIKRSANLJWQSH-UNMGZEBXSA-N 0 1 534.656 5.982 50 0 KKAAMN Cc1cc(C(=O)Oc2ccc([C@@H]3c4c(O)n(-c5ccc(Cl)c(Cl)c5)c(O)c4ON3c3ccccc3)cc2)n(C)n1 ZINC000106805901 571418454 /nfs/dbraw/zinc/41/84/54/571418454.db2.gz PCLIYQSQRUVLBO-JIMJEQGWSA-N 0 1 577.424 5.306 50 0 KKAAMN O=P(/C=C(\Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000108999013 571428075 /nfs/dbraw/zinc/42/80/75/571428075.db2.gz ZSFPVGLXPLEPQB-WVMMTVHUSA-N 0 1 573.504 9.147 50 0 KKAAMN CCCCCCOc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)cc4)c(C(F)(F)F)oc3c2CN(CCC)CCC)cc1 ZINC000150388828 571471250 /nfs/dbraw/zinc/47/12/50/571471250.db2.gz XMTUZTHGXHQOSS-UHFFFAOYSA-N 0 1 674.156 10.058 50 0 KKAAMN CCCN(CCC)Cc1c(OC(=O)c2ccc(OC)c(OC)c2)ccc2c(=O)c(Oc3ccc(Cl)c(C)c3)c(C(F)(F)F)oc21 ZINC000150389046 571471485 /nfs/dbraw/zinc/47/14/85/571471485.db2.gz FXFRAXJVHZLMOY-UHFFFAOYSA-N 0 1 648.074 8.424 50 0 KKAAMN COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCCN3CCN(c4ccc(F)cc4)CC3)C2=S)cc1Cl ZINC000150390630 571472910 /nfs/dbraw/zinc/47/29/10/571472910.db2.gz GIZRZGHJZHFZNI-MHZLTWQESA-N 0 1 644.600 5.684 50 0 KKAAMN CCC(C)(C)c1ccc(OCC(=O)Nc2cccc(C(=O)Nc3[nH]n(-c4c(Cl)cc(Cl)cc4Cl)c(=O)c3Sc3ccccc3)c2)c(C(C)(C)CC)c1 ZINC000150390995 571473311 /nfs/dbraw/zinc/47/33/11/571473311.db2.gz WQXWIMJGABTDQE-DHUJRADRSA-N 0 1 780.218 10.291 50 0 KKAAMN COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCCN3CCN(Cc4ccccc4)CC3)C2=S)cc1Cl ZINC000150396132 571476316 /nfs/dbraw/zinc/47/63/16/571476316.db2.gz GRHGIWBEULFGSU-NDEPHWFRSA-N 0 1 640.637 5.541 50 0 KKAAMN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCCN3CCN(c4cccc(Cl)c4)CC3)C2=S)cc1 ZINC000150396357 571476539 /nfs/dbraw/zinc/47/65/39/571476539.db2.gz SVMLZBZSLSVACA-LJAQVGFWSA-N 0 1 668.647 5.713 50 0 KKAAMN O=C(C[C@@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)C(=S)N1CCCN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(F)cc1 ZINC000150396517 571476544 /nfs/dbraw/zinc/47/65/44/571476544.db2.gz RSASTBQSEVOFEW-HHHXNRCGSA-N 0 1 649.019 6.329 50 0 KKAAMN CCOc1cc([C@@H]2C3=C(C[C@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(=O)C(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000150398790 571477486 /nfs/dbraw/zinc/47/74/86/571477486.db2.gz LKQSJBOWWGXSDG-WZPDBAAASA-N 0 1 655.622 10.177 50 0 KKAAMN COc1ccc(Br)cc1[C@H]1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)C(=O)N1c1ccc(Cl)cc1 ZINC000150403339 571478587 /nfs/dbraw/zinc/47/85/87/571478587.db2.gz OSGSHERXGSTTEC-LEWJYISDSA-N 0 1 649.539 7.477 50 0 KKAAMN COc1cc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Br)c(C)c2)cc(OC)c1OC ZINC000150403286 571478619 /nfs/dbraw/zinc/47/86/19/571478619.db2.gz NATAQRHKYPDJIH-PKTZIBPZSA-N 0 1 689.173 7.150 50 0 KKAAMN 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CIYNQOCICHZWMP-JPQMRUPTSA-N 0 1 632.385 9.928 50 0 KKAAMN CCOc1cc([C@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)ccc1OCc1ccc(Cl)cc1 ZINC000150416626 571486005 /nfs/dbraw/zinc/48/60/05/571486005.db2.gz LSEYQPZWCPMJKI-SNFDCCKOSA-N 0 1 649.187 9.286 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCCN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000150418549 571486683 /nfs/dbraw/zinc/48/66/83/571486683.db2.gz JFIRURLWQCKMJV-PMERELPUSA-N 0 1 668.235 5.820 50 0 KKAAMN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000150418771 571486711 /nfs/dbraw/zinc/48/67/11/571486711.db2.gz IGLWTZITVZSIEF-SSEXGKCCSA-N 0 1 678.255 5.064 50 0 KKAAMN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000150418771 571486712 /nfs/dbraw/zinc/48/67/12/571486712.db2.gz IGLWTZITVZSIEF-SSEXGKCCSA-N 0 1 678.255 5.064 50 0 KKAAMN Cn1cc(-c2nc(-c3ccc(-c4ccc(C5=NC(c6cn(C)c7ccccc67)=N[C@H]5c5ccccc5)cc4)cc3)c(-c3ccccc3)[nH]2)c2ccccc21 ZINC000150419089 571486855 /nfs/dbraw/zinc/48/68/55/571486855.db2.gz VIEKTGLUYPAFEL-QLKFWGTOSA-N 0 1 696.858 11.052 50 0 KKAAMN COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(-n2nc(OCC(C)C)nc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000150423538 571488858 /nfs/dbraw/zinc/48/88/58/571488858.db2.gz GEEIOMHVBVHOSU-UHFFFAOYSA-N 0 1 625.467 6.560 50 0 KKAAMN O=C(OC(c1ccccc1)c1ccccc1)[C@H]1[C@@H](C(=O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000150425960 571490226 /nfs/dbraw/zinc/49/02/26/571490226.db2.gz HFKVUXRQAYZYBS-UKVDXBKXSA-N 0 1 681.586 7.755 50 0 KKAAMN O=C(OC(c1ccccc1)c1ccccc1)[C@H]1[C@@H](C(=O)c2ccc3c(c2)OCO3)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000150426580 571490969 /nfs/dbraw/zinc/49/09/69/571490969.db2.gz XDROSPZFMAZBPF-NXLUEKNWSA-N 0 1 646.699 6.721 50 0 KKAAMN COc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cc(Cl)cc(Cl)c2)cc1OC ZINC000150430942 571493304 /nfs/dbraw/zinc/49/33/04/571493304.db2.gz WQMHETOZWHNHBF-YADHBBJMSA-N 0 1 635.114 7.377 50 0 KKAAMN CCOc1cc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=S)Nc2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000150431198 571493523 /nfs/dbraw/zinc/49/35/23/571493523.db2.gz QEEATVDLZSISFX-DHUJRADRSA-N 0 1 638.233 9.981 50 0 KKAAMN O=C(Nc1ccc(Cl)cc1)[C@@H]1C(=C(O)c2ccc(Br)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000150432016 571493899 /nfs/dbraw/zinc/49/38/99/571493899.db2.gz VBYWVFMUGVSZIX-GQPDOWDHSA-N 0 1 624.922 6.714 50 0 KKAAMN COc1cc([C@H]2C3=C(C[C@@H](c4cccc(F)c4)CC3=O)Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000150439929 571497605 /nfs/dbraw/zinc/49/76/05/571497605.db2.gz BGYCHNWMNWNDNR-BPJXYHRLSA-N 0 1 662.545 9.414 50 0 KKAAMN COc1cc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(Cl)c2)cc(OC)c1OC ZINC000150440247 571497871 /nfs/dbraw/zinc/49/78/71/571497871.db2.gz QNFYXZLNIRQJDK-DHIUTWEWSA-N 0 1 644.722 7.041 50 0 KKAAMN Fc1ccc(-c2nc(-c3ccc(-c4[nH]c(-c5ccc(F)c(Br)c5)nc4-c4ccccc4)cc3)c(-c3ccccc3)[nH]2)cc1Br ZINC000150448777 571501668 /nfs/dbraw/zinc/50/16/68/571501668.db2.gz GFZJDCGZRFINOF-UHFFFAOYSA-N 0 1 708.404 10.938 50 0 KKAAMN Fc1ccc(-c2nc(-c3ccc(-c4nc(-c5ccc(F)c(Br)c5)[nH]c4-c4ccccc4)cc3)c(-c3ccccc3)[nH]2)cc1Br ZINC000150448777 571501669 /nfs/dbraw/zinc/50/16/69/571501669.db2.gz GFZJDCGZRFINOF-UHFFFAOYSA-N 0 1 708.404 10.938 50 0 KKAAMN COc1ccc(OC)c(-c2nc(-c3ccc(-c4[nH]c(-c5cc(OC)ccc5OC)nc4-c4ccccc4)cc3)c(-c3ccccc3)[nH]2)c1 ZINC000150449235 571502022 /nfs/dbraw/zinc/50/20/22/571502022.db2.gz QBIVIPJSFOZWEZ-UHFFFAOYSA-N 0 1 634.736 9.169 50 0 KKAAMN COc1ccc(OC)c(-c2nc(-c3ccc(-c4nc(-c5cc(OC)ccc5OC)[nH]c4-c4ccccc4)cc3)c(-c3ccccc3)[nH]2)c1 ZINC000150449235 571502023 /nfs/dbraw/zinc/50/20/23/571502023.db2.gz QBIVIPJSFOZWEZ-UHFFFAOYSA-N 0 1 634.736 9.169 50 0 KKAAMN O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000150451364 571503016 /nfs/dbraw/zinc/50/30/16/571503016.db2.gz OVGLVEWRUKISEQ-UHFFFAOYSA-N 0 1 651.638 6.211 50 0 KKAAMN c1[nH]c2ccccc2c1-c1nc(-c2ccccc2)c(-c2ccc(-c3ccc(-c4nc(-c5c[nH]c6ccccc65)[nH]c4-c4ccccc4)cc3)cc2)[nH]1 ZINC000150454035 571503784 /nfs/dbraw/zinc/50/37/84/571503784.db2.gz PFSIIZMBYLTXGX-UHFFFAOYSA-N 0 1 668.804 11.764 50 0 KKAAMN c1[nH]c2ccccc2c1-c1nc(-c2ccc(-c3ccc(-c4nc(-c5c[nH]c6ccccc65)[nH]c4-c4ccccc4)cc3)cc2)c(-c2ccccc2)[nH]1 ZINC000150454035 571503785 /nfs/dbraw/zinc/50/37/85/571503785.db2.gz PFSIIZMBYLTXGX-UHFFFAOYSA-N 0 1 668.804 11.764 50 0 KKAAMN CSc1nc2c(sc3nc(N4CCOCC4)c4c(c32)CC(C)(C)OC4)c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000150457933 571505204 /nfs/dbraw/zinc/50/52/04/571505204.db2.gz OXNCRKNDFKVRIA-UHFFFAOYSA-N 0 1 652.890 6.561 50 0 KKAAMN O=C1c2cc(-c3nc(-c4ccc(Br)cc4)[nH]c3-c3ccccc3)ccc2-c2ccc(-c3[nH]c(-c4ccc(Br)cc4)nc3-c3ccccc3)cc21 ZINC000150613788 571523184 /nfs/dbraw/zinc/52/31/84/571523184.db2.gz RBOCWTQYCNKTCO-UHFFFAOYSA-N 0 1 774.516 11.871 50 0 KKAAMN O=C1c2cc(-c3nc(-c4ccc(Br)cc4)[nH]c3-c3ccccc3)ccc2-c2ccc(-c3nc(-c4ccc(Br)cc4)[nH]c3-c3ccccc3)cc21 ZINC000150613788 571523185 /nfs/dbraw/zinc/52/31/85/571523185.db2.gz RBOCWTQYCNKTCO-UHFFFAOYSA-N 0 1 774.516 11.871 50 0 KKAAMN O=c1/c(=C\c2cc(Br)cc(Br)c2O)sc2n1[C@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000150634713 571524338 /nfs/dbraw/zinc/52/43/38/571524338.db2.gz IOOBUGLLRRHISU-SEXPAEGTSA-N 0 1 628.773 6.203 50 0 KKAAMN O[C@@H](COCc1ccco1)CN(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000169678447 571555728 /nfs/dbraw/zinc/55/57/28/571555728.db2.gz UNHRXELDSPPWLW-IRLDBZIGSA-N 0 1 523.844 5.813 50 0 KKAAMN Cc1ccc(NC(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000169680834 571556904 /nfs/dbraw/zinc/55/69/04/571556904.db2.gz QFHVEBHURJSVJE-RBTNQOKQSA-N 0 1 520.674 5.298 50 0 KKAAMN CCCCCc1ccc(C(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000169680910 571557315 /nfs/dbraw/zinc/55/73/15/571557315.db2.gz CRAAZTDUHIJFSQ-NRUKRWIHSA-N 0 1 561.767 6.331 50 0 KKAAMN CC[C@@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H](O)COCc1ccccc1 ZINC000169681576 571557582 /nfs/dbraw/zinc/55/75/82/571557582.db2.gz UAXRSEWQUQEUOH-UFHPHHKVSA-N 0 1 529.681 6.160 50 0 KKAAMN O=C(NCc1ccco1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169681938 571557718 /nfs/dbraw/zinc/55/77/18/571557718.db2.gz PSYPOUXRHNSNTM-VWNXMTODSA-N 0 1 503.952 5.131 50 0 KKAAMN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000263585731 572119793 /nfs/dbraw/zinc/11/97/93/572119793.db2.gz LTLHGSXEQPSJMT-GUXYNYLLSA-N 0 1 613.715 5.205 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)Nc3ccc4nc[nH]c4c3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263585765 572119830 /nfs/dbraw/zinc/11/98/30/572119830.db2.gz MFDWYFAPRRCFQN-VWLOTQADSA-N 0 1 613.715 5.350 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)Nc3ccc4nc(CC(C)C)[nH]c4c3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263585792 572120453 /nfs/dbraw/zinc/12/04/53/572120453.db2.gz MNQVJEHJGGGQTR-NDEPHWFRSA-N 0 1 669.823 6.549 50 0 KKAAMN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1cccc(-c2nnc[nH]2)c1 ZINC000263585911 572121123 /nfs/dbraw/zinc/12/11/23/572121123.db2.gz NTTAQGNWXINQKV-JSXXVDJESA-N 0 1 640.741 5.113 50 0 KKAAMN Cc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3Cl)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000226913698 572145331 /nfs/dbraw/zinc/14/53/31/572145331.db2.gz HYGQBWAFLZQCDN-YQQRZDPSSA-N 0 1 545.038 6.505 50 0 KKAAMN COc1cccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000227083701 572149740 /nfs/dbraw/zinc/14/97/40/572149740.db2.gz HYJFNQZOYUKNBF-NLVFCZGTSA-N 0 1 554.646 6.250 50 0 KKAAMN CCCCCc1ccc(C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227086752 572150396 /nfs/dbraw/zinc/15/03/96/572150396.db2.gz VOSGPGIOPHVDAV-WUPCUQSLSA-N 0 1 581.156 7.661 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1OC ZINC000227235490 572151680 /nfs/dbraw/zinc/15/16/80/572151680.db2.gz KCTHGZUOXIIMGF-IRYJCKHSSA-N 0 1 564.682 5.991 50 0 KKAAMN C[C@@H]1CCC[C@H](NC(=O)c2ccc(Cn3c(=O)c4cc(Br)ccc4[nH]c3=S)cc2)[C@H]1C ZINC000334158854 572153528 /nfs/dbraw/zinc/15/35/28/572153528.db2.gz RDUFJXLMSGZAHJ-SIFCLUCFSA-N 0 1 500.462 5.051 50 0 KKAAMN CCCCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C(C)=C[C@H]3[C@]23c2ccccc2NC3=O)cc1 ZINC000229899644 572167232 /nfs/dbraw/zinc/16/72/32/572167232.db2.gz KMNZWHXZMZQCLV-UAAALTKLSA-N 0 1 574.765 7.706 50 0 KKAAMN CC(C)Cc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccc(Cl)cc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229900419 572167384 /nfs/dbraw/zinc/16/73/84/572167384.db2.gz MPWDKUJVRNPSBG-BEJGJRQXSA-N 0 1 587.119 7.395 50 0 KKAAMN CC(C)Cc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229918306 572169685 /nfs/dbraw/zinc/16/96/85/572169685.db2.gz PRZDKXSSSNBCCY-BEJGJRQXSA-N 0 1 552.674 6.741 50 0 KKAAMN CC(C)(C)C(=O)[C@@H]1[C@H](C(=O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000229932093 572170792 /nfs/dbraw/zinc/17/07/92/572170792.db2.gz CHJHJUPTLFDOAO-GURVGDRESA-N 0 1 555.472 6.038 50 0 KKAAMN CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccs3)N3c4ccccc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229935050 572171290 /nfs/dbraw/zinc/17/12/90/572171290.db2.gz CEUVDOPQEYOOPU-KVOHOPFUSA-N 0 1 558.703 6.947 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccc(Cl)cc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229951137 572173585 /nfs/dbraw/zinc/17/35/85/572173585.db2.gz NHINCRXLCFMLQI-CLWMVSBGSA-N 0 1 561.037 6.205 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c1ccc(CC(C)C)cc1)[C@@]21c2ccccc2NC1=O ZINC000229970960 572175402 /nfs/dbraw/zinc/17/54/02/572175402.db2.gz SDVIFERUKJDMKH-NRPAOZQWSA-N 0 1 546.711 6.864 50 0 KKAAMN O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000230014729 572179130 /nfs/dbraw/zinc/17/91/30/572179130.db2.gz HBDFOCFVBQODHH-KCIBBDPESA-N 0 1 546.026 5.952 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)[C@H](C(=O)c2ccc(CC(C)C)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000245245193 572217373 /nfs/dbraw/zinc/21/73/73/572217373.db2.gz BLSQYLSYJNHYJG-NXPJMSRNSA-N 0 1 586.757 7.501 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)[C@H](C(=O)c1ccc(Br)cc1)[C@@]21C(=O)Nc2ccccc21 ZINC000245245664 572217707 /nfs/dbraw/zinc/21/77/07/572217707.db2.gz FSIUZZMJEWPRPO-XTQYNZLPSA-N 0 1 569.499 6.428 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(=C(O)c1ccc3c(c1)OCO3)[C@]21C(=O)Nc2ccccc21 ZINC000245245656 572217748 /nfs/dbraw/zinc/21/77/48/572217748.db2.gz FPLRWFVCYHKRFR-KCIBBDPESA-N 0 1 560.631 5.723 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(=C(O)c1ccc(F)cc1)[C@]21C(=O)Nc2ccccc21 ZINC000245246041 572218436 /nfs/dbraw/zinc/21/84/36/572218436.db2.gz GKLRDEHHVUXRTM-BQUCCUTGSA-N 0 1 534.612 6.133 50 0 KKAAMN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccc(Br)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000245246446 572219233 /nfs/dbraw/zinc/21/92/33/572219233.db2.gz LWEZLELYEWSZIC-AOFBEVEVSA-N 0 1 589.489 6.614 50 0 KKAAMN 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 572219823 /nfs/dbraw/zinc/21/98/23/572219823.db2.gz NGPGDNUELGEEOY-WKLUVDBGSA-N 0 1 550.655 5.601 50 0 KKAAMN Cc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccc(C)cc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245247967 572221475 /nfs/dbraw/zinc/22/14/75/572221475.db2.gz ZZWIRYBYBNQXSK-ZPNDBRHUSA-N 0 1 524.620 6.160 50 0 KKAAMN Cc1ccc2c(c1)N1[C@H](C(=O)c3ccccc3)C(=C(O)c3ccc(Cl)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]1C=C2 ZINC000245309448 572227660 /nfs/dbraw/zinc/22/76/60/572227660.db2.gz CYUVEEDKXBYBAR-AOFBEVEVSA-N 0 1 545.038 6.505 50 0 KKAAMN Cc1ccc(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245310396 572228101 /nfs/dbraw/zinc/22/81/01/572228101.db2.gz ITEQSXGFUXVWLH-PJGOFDOSSA-N 0 1 516.622 5.913 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3F)N3c4ccccc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245312559 572229861 /nfs/dbraw/zinc/22/98/61/572229861.db2.gz VWLYEPWPZOISMM-IANDGLOUSA-N 0 1 544.582 5.690 50 0 KKAAMN Fc1ccccc1C1=NN2[C@H](C1)c1cc(Br)ccc1OC21CCN([C@H]2CCCc3ccccc32)CC1 ZINC000245313072 572231041 /nfs/dbraw/zinc/23/10/41/572231041.db2.gz ZMUUQGILHLYLIZ-WUFINQPMSA-N 0 1 546.484 7.001 50 0 KKAAMN CCCCCc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccccc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245325610 572232080 /nfs/dbraw/zinc/23/20/80/572232080.db2.gz GKEDSRMNCNPPAI-OTGBHNIOSA-N 0 1 580.728 7.666 50 0 KKAAMN CCc1ccc(NC(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000245326104 572232583 /nfs/dbraw/zinc/23/25/83/572232583.db2.gz DCQJUZJAQYDLIF-ONOMSOESSA-N 0 1 534.701 5.552 50 0 KKAAMN C[C@H]1CN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000245328304 572234787 /nfs/dbraw/zinc/23/47/87/572234787.db2.gz MUWRZPPTJKTLKH-SMSORMJASA-N 0 1 547.740 5.895 50 0 KKAAMN C[C@H]1CN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(Cl)cc1 ZINC000245328432 572234858 /nfs/dbraw/zinc/23/48/58/572234858.db2.gz OLTYFLBAIKJLOR-UZTOHYMASA-N 0 1 526.077 5.251 50 0 KKAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCCN(C(=O)c2cccc(Br)c2)CC1 ZINC000245343026 572237336 /nfs/dbraw/zinc/23/73/36/572237336.db2.gz CIHIKSQWZCLWSS-JIPXPUAJSA-N 0 1 566.565 5.530 50 0 KKAAMN O=C(NCCc1ccccc1)[C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247481993 572242545 /nfs/dbraw/zinc/24/25/45/572242545.db2.gz JJTFHGQBRPEFSK-QFIPXVFZSA-N 0 1 517.471 5.359 50 0 KKAAMN O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247722637 572243866 /nfs/dbraw/zinc/24/38/66/572243866.db2.gz BPIYIYGVFWSNSR-QGZVFWFLSA-N 0 1 558.307 6.946 50 0 KKAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000247842195 572245976 /nfs/dbraw/zinc/24/59/76/572245976.db2.gz FVSLFOILDLDCPS-QFIPXVFZSA-N 0 1 592.969 6.002 50 0 KKAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000247851203 572246423 /nfs/dbraw/zinc/24/64/23/572246423.db2.gz IUMSIEOZJKZUJC-QFIPXVFZSA-N 0 1 626.521 6.368 50 0 KKAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000247866861 572246794 /nfs/dbraw/zinc/24/67/94/572246794.db2.gz OYLRIMMTMJXKSV-QFIPXVFZSA-N 0 1 626.521 6.368 50 0 KKAAMN Cc1ccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)c(C)c1 ZINC000247872084 572247101 /nfs/dbraw/zinc/24/71/01/572247101.db2.gz LNJGRHUKNVXOOG-RUZDIDTESA-N 0 1 586.578 5.966 50 0 KKAAMN COc1ccc(Cn2c(CN3CCC[C@@H](C(=O)N4CCN(c5ccccc5C(F)(F)F)CC4)C3)nc3ccccc32)cc1 ZINC000247881097 572247858 /nfs/dbraw/zinc/24/78/58/572247858.db2.gz JBZHCTYZANZDCZ-RUZDIDTESA-N 0 1 591.678 5.673 50 0 KKAAMN COc1ccc(Cn2c(CN3CCC[C@H](C(=O)N4CCN(C(=O)c5ccc(Cl)c(Cl)c5)CC4)C3)nc3ccccc32)cc1 ZINC000247889222 572248289 /nfs/dbraw/zinc/24/82/89/572248289.db2.gz MHYAEJCHFRPABK-VWLOTQADSA-N 0 1 620.581 5.597 50 0 KKAAMN COc1ccc(Cn2c(CN3CCC[C@@H](C(=O)N(C4CCCCC4)C4CCCCC4)C3)nc3ccccc32)cc1 ZINC000247883904 572248357 /nfs/dbraw/zinc/24/83/57/572248357.db2.gz KHCGDBXHAOQXTM-HHHXNRCGSA-N 0 1 542.768 6.799 50 0 KKAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N(C1CCCCC1)C1CCCCC1 ZINC000247889803 572248463 /nfs/dbraw/zinc/24/84/63/572248463.db2.gz YCOBLRXDHATCFS-XMMPIXPASA-N 0 1 577.611 7.494 50 0 KKAAMN COc1ccc(Cn2c(CN3CCC[C@@H](C(=O)NCc4ccccc4Cl)C3)nc3ccccc32)cc1 ZINC000247894835 572248808 /nfs/dbraw/zinc/24/88/08/572248808.db2.gz OHAIOGMPTPMDOG-HSZRJFAPSA-N 0 1 503.046 5.275 50 0 KKAAMN COc1ccc(Cn2c(CN3CCC[C@@H](C(=O)N4CCN(c5c(C)cccc5C)CC4)C3)nc3ccccc32)cc1 ZINC000247915264 572249207 /nfs/dbraw/zinc/24/92/07/572249207.db2.gz VYPKDGLTJNNFAF-MUUNZHRXSA-N 0 1 551.735 5.271 50 0 KKAAMN O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000247949125 572250352 /nfs/dbraw/zinc/25/03/52/572250352.db2.gz RXMINRKATVJMAS-OAQYLSRUSA-N 0 1 655.424 6.291 50 0 KKAAMN CC(C)n1c2ccccc2nc1CN1CCC[C@@H](C(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)C1 ZINC000247970120 572251216 /nfs/dbraw/zinc/25/12/16/572251216.db2.gz CVDAHIXCSIKBCL-OAQYLSRUSA-N 0 1 513.608 5.197 50 0 KKAAMN CC(C)n1c2ccccc2nc1CN1CCC[C@@H](C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000247969120 572251237 /nfs/dbraw/zinc/25/12/37/572251237.db2.gz CQBQLSARSSICHV-HXUWFJFHSA-N 0 1 542.511 5.121 50 0 KKAAMN CC1=NN(c2ccc(C)cc2)C(=O)[C@@]12Cc1cc(C(F)(F)F)ccc1N1CCN(Cc3ccccc3)C[C@H]12 ZINC000247996703 572251632 /nfs/dbraw/zinc/25/16/32/572251632.db2.gz DCDZBOZBYSWDEO-YTMVLYRLSA-N 0 1 518.583 5.670 50 0 KKAAMN O=C(c1ccccc1)[C@@H]1C(=C(O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000248002442 572251838 /nfs/dbraw/zinc/25/18/38/572251838.db2.gz REYGPJKHQQHCIW-NBJHOTSESA-N 0 1 531.011 6.196 50 0 KKAAMN Cc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000248001083 572251929 /nfs/dbraw/zinc/25/19/29/572251929.db2.gz SNPCNGLWMXRAOE-FQEVSTJZSA-N 0 1 503.444 5.947 50 0 KKAAMN Cc1ccccc1NC(=O)[C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000248001083 572251931 /nfs/dbraw/zinc/25/19/31/572251931.db2.gz SNPCNGLWMXRAOE-FQEVSTJZSA-N 0 1 503.444 5.947 50 0 KKAAMN CCCCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@H]1CCCO1 ZINC000248002982 572251939 /nfs/dbraw/zinc/25/19/39/572251939.db2.gz AYIYLRIOAIWQDC-AZGAKELHSA-N 0 1 511.638 5.177 50 0 KKAAMN CCCCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@H]1CCCO1 ZINC000248002982 572251940 /nfs/dbraw/zinc/25/19/40/572251940.db2.gz AYIYLRIOAIWQDC-AZGAKELHSA-N 0 1 511.638 5.177 50 0 KKAAMN CC(C)n1c2ccccc2nc1CN1CCC[C@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000248007127 572251950 /nfs/dbraw/zinc/25/19/50/572251950.db2.gz PUCQXIMKHXFUNT-NRFANRHFSA-N 0 1 513.608 5.197 50 0 KKAAMN CCCCN(C(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)C(C)C ZINC000248014118 572252347 /nfs/dbraw/zinc/25/23/47/572252347.db2.gz SEEMXGBPRPORIF-OAQYLSRUSA-N 0 1 511.508 6.037 50 0 KKAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000248060337 572253001 /nfs/dbraw/zinc/25/30/01/572253001.db2.gz DGBGBNJZXBYKTR-JIPXPUAJSA-N 0 1 555.666 5.786 50 0 KKAAMN Cc1ccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)cc1 ZINC000248085872 572253231 /nfs/dbraw/zinc/25/32/31/572253231.db2.gz FJKJDMZJSROZEX-XMMPIXPASA-N 0 1 572.551 5.657 50 0 KKAAMN Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)cc1C ZINC000248132978 572254747 /nfs/dbraw/zinc/25/47/47/572254747.db2.gz BPFBNZZXKCDZEN-RUZDIDTESA-N 0 1 586.578 5.966 50 0 KKAAMN Cc1ccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)cc1C ZINC000248132978 572254748 /nfs/dbraw/zinc/25/47/48/572254748.db2.gz BPFBNZZXKCDZEN-RUZDIDTESA-N 0 1 586.578 5.966 50 0 KKAAMN COc1cccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)c1 ZINC000248139297 572255125 /nfs/dbraw/zinc/25/51/25/572255125.db2.gz OSBHOLAHQMDFCS-QHCPKHFHSA-N 0 1 588.550 5.357 50 0 KKAAMN COc1cccc(N2CCN(C(=O)[C@H]3CCCN(Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)c1 ZINC000248139297 572255126 /nfs/dbraw/zinc/25/51/26/572255126.db2.gz OSBHOLAHQMDFCS-QHCPKHFHSA-N 0 1 588.550 5.357 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3ccc(OC)c(OC)c3)N3c4ccccc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000248145075 572255407 /nfs/dbraw/zinc/25/54/07/572255407.db2.gz RZDHPPMODFUPJA-GSFCIGPDSA-N 0 1 586.644 5.569 50 0 KKAAMN COc1ccc(Cn2c(CN3CCC[C@@H](C(=O)N4CCN(c5cccc(C)c5C)CC4)C3)nc3ccccc32)cc1 ZINC000248162326 572256148 /nfs/dbraw/zinc/25/61/48/572256148.db2.gz POIHUFQOYQPEKW-MUUNZHRXSA-N 0 1 551.735 5.271 50 0 KKAAMN Cc1cc2c(c(C)c1)NC(=O)[C@]21N2CCC[C@@H]2[C@H](C(=O)c2ccc(Br)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000248332825 572258119 /nfs/dbraw/zinc/25/81/19/572258119.db2.gz JLEJNNHBBFNPSP-IECCPQQKSA-N 0 1 556.460 5.081 50 0 KKAAMN Cc1ccc2c(c1C)NC(=O)[C@@]21[N@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000248329684 572258190 /nfs/dbraw/zinc/25/81/90/572258190.db2.gz DSFLXWSYLKLABO-IPMXHECSSA-N 0 1 556.460 5.081 50 0 KKAAMN Cc1ccc2c(c1C)NC(=O)[C@@]21N2CCC[C@@H]2[C@H](C(=O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000248329684 572258191 /nfs/dbraw/zinc/25/81/91/572258191.db2.gz DSFLXWSYLKLABO-IPMXHECSSA-N 0 1 556.460 5.081 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(=C(O)c1ccncc1)[C@]21C(=O)Nc2ccccc21 ZINC000248335227 572258291 /nfs/dbraw/zinc/25/82/91/572258291.db2.gz MTZZNIYUKBMWAH-KCIBBDPESA-N 0 1 511.581 5.328 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(=C(O)c1ccccc1)[C@@]21C(=O)Nc2ccccc21 ZINC000248340628 572258423 /nfs/dbraw/zinc/25/84/23/572258423.db2.gz VEHPXVNIMUZWOI-AOFBEVEVSA-N 0 1 510.593 5.933 50 0 KKAAMN CCCCCN1[C@H](c2ccc(OC)cc2OC)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]2[C@]12CC(=O)N(c1ccc(C)cc1)C2=O ZINC000249800738 572258812 /nfs/dbraw/zinc/25/88/12/572258812.db2.gz NCFFNJNNMLKHOL-CUTZTJRCSA-N 0 1 609.723 5.376 50 0 KKAAMN CCc1ccccc1N1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000252013965 572259822 /nfs/dbraw/zinc/25/98/22/572259822.db2.gz UQNVPDTYVMDFBI-VWLOTQADSA-N 0 1 525.672 5.288 50 0 KKAAMN CN(CCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000252584829 572264214 /nfs/dbraw/zinc/26/42/14/572264214.db2.gz DBVANVNXSDDHHB-KGYSHXOESA-N 0 1 634.777 5.149 50 0 KKAAMN COc1ccc(C=NNc2c(Cl)cc(Cl)cc2Cl)cc1Cn1nc(C)c(Br)c1C ZINC000252625444 572270426 /nfs/dbraw/zinc/27/04/26/572270426.db2.gz QKBHDXZRDKNGGN-UHFFFAOYSA-N 0 1 516.654 6.726 50 0 KKAAMN O=c1c(=Cc2cc(Cl)cc(Cl)c2O)sc2n1[C@@H](c1ccc(Cl)cc1Cl)C1=C(N=2)c2ccccc2CC1 ZINC000252670093 572275561 /nfs/dbraw/zinc/27/55/61/572275561.db2.gz JNLPMLOGDRHXTE-DEOSSOPVSA-N 0 1 574.316 6.638 50 0 KKAAMN COc1ccc([C@H](CC(=O)N2CCCCC2)c2c(=O)cc(O)c3c(O)cc(-c4ccccc4)oc2-3)c(OC)c1OC ZINC000253403269 572285695 /nfs/dbraw/zinc/28/56/95/572285695.db2.gz HAAUVFBDWHAERN-NRFANRHFSA-N 0 1 559.615 5.432 50 0 KKAAMN CC(=O)c1c(O)c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1ccc(OCCc2ccc3c(c2)CCO3)cc1 ZINC000253407055 572286659 /nfs/dbraw/zinc/28/66/59/572286659.db2.gz JMPPUVBEIYOTAN-QFIPXVFZSA-N 0 1 526.541 5.007 50 0 KKAAMN COc1cc(OC)c([C@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(Cl)cc5)coc-4c32)cc1OC ZINC000253413047 572288357 /nfs/dbraw/zinc/28/83/57/572288357.db2.gz SVYZBSPULHNCLQ-MRXNPFEDSA-N 0 1 508.910 5.286 50 0 KKAAMN Cc1ccc(C)c(NC(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)c1 ZINC000253479654 572289982 /nfs/dbraw/zinc/28/99/82/572289982.db2.gz RQUMINIXJUZQHT-NRFANRHFSA-N 0 1 517.471 6.256 50 0 KKAAMN O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1[C@H](C(=O)c2ccc(F)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000253486999 572290109 /nfs/dbraw/zinc/29/01/09/572290109.db2.gz CDZOTDFZTYOTMC-RDEHZVQUSA-N 0 1 620.680 7.132 50 0 KKAAMN O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1[C@H](C(=O)c2ccc3c(c2)OCO3)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000253488110 572291271 /nfs/dbraw/zinc/29/12/71/572291271.db2.gz XDROSPZFMAZBPF-MDIQZDONSA-N 0 1 646.699 6.721 50 0 KKAAMN CCOC(=O)c1c(C)n(C2CCCCC2)c2ccc(OCc3n[nH]c(=S)n3-c3ccc(Cl)cc3)cc21 ZINC000253599971 572300686 /nfs/dbraw/zinc/30/06/86/572300686.db2.gz ZPWBILRIORHFTA-UHFFFAOYSA-N 0 1 525.074 7.107 50 0 KKAAMN CC(C)c1ccccc1N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000253607264 572300957 /nfs/dbraw/zinc/30/09/57/572300957.db2.gz HVOXUTDNQMPWRR-RUZDIDTESA-N 0 1 600.605 6.472 50 0 KKAAMN O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000253615533 572301330 /nfs/dbraw/zinc/30/13/30/572301330.db2.gz MEQLVTFDKPLPRM-NRFANRHFSA-N 0 1 655.424 6.291 50 0 KKAAMN O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000253615533 572301331 /nfs/dbraw/zinc/30/13/31/572301331.db2.gz MEQLVTFDKPLPRM-NRFANRHFSA-N 0 1 655.424 6.291 50 0 KKAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccccc2Cl)CC1 ZINC000253616775 572301454 /nfs/dbraw/zinc/30/14/54/572301454.db2.gz DLUUMPUNLQOEHY-XMMPIXPASA-N 0 1 562.545 5.952 50 0 KKAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N(C1CCCCC1)C1CCCCC1 ZINC000253616778 572301459 /nfs/dbraw/zinc/30/14/59/572301459.db2.gz DOJBBNACGFYIFK-DEOSSOPVSA-N 0 1 516.705 6.871 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)Nc3cccc(-c4nnc[nH]4)c3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409413177 1069808407 /nfs/dbraw/zinc/80/84/07/1069808407.db2.gz CLTBIDGKRYXVOI-HHHXNRCGSA-N 0 1 640.741 5.259 50 0 KKAAMN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc2nc(CC(C)C)[nH]c2c1 ZINC000409413432 1069809359 /nfs/dbraw/zinc/80/93/59/1069809359.db2.gz LRVIMHVVRUDHAZ-UKWFVQMLSA-N 0 1 669.823 6.403 50 0 KKAAMN COC(=O)C[C@H](c1cccc(OCc2ccccc2)c1)c1c(O)c(C(C)=O)cc([C@H]2OCc3cnc(C)c(O)c32)c1O ZINC000524730173 1069832044 /nfs/dbraw/zinc/83/20/44/1069832044.db2.gz YJZOHRSWCKOMTR-INJOXJOKSA-N 0 1 569.610 5.603 50 0 KKAAMN COC(=O)C[C@@H](c1cccc(OCc2ccccc2)c1)c1c(O)c(C(C)=O)cc([C@@H]2OCc3cnc(C)c(O)c32)c1O ZINC000524730174 1069832099 /nfs/dbraw/zinc/83/20/99/1069832099.db2.gz YJZOHRSWCKOMTR-JQJBXXCASA-N 0 1 569.610 5.603 50 0 KKAAMN C[N@@H+](Cc1cccc(OC[C@H]2CCCN(C(=O)c3ccc(-n4cccn4)cc3)C2)c1)Cc1ccc2ncccc2c1 ZINC000102229165 1069850400 /nfs/dbraw/zinc/85/04/00/1069850400.db2.gz QMOJNCKOGMUTAA-NDEPHWFRSA-N 0 1 545.687 5.984 50 0 KKAAMN COc1cccc(NC=C2c3ccccc3C(=O)N(c3cccc(S(=O)(=O)Nc4ccccc4OC)c3)C2=O)c1 ZINC000103005148 1070971932 /nfs/dbraw/zinc/97/19/32/1070971932.db2.gz FTRVQAIDUHXKAT-XHPQRKPJSA-N 0 1 555.612 5.145 50 0 KKAAMN CN(CCN(C)C(=O)OC(C)(C)C)Cc1cn([C@@H]2CCCCO2)nc1-c1ccc(O[C@H]2C[C@H](OCc3ccccc3)C2)cc1 ZINC000575442439 1071141395 /nfs/dbraw/zinc/14/13/95/1071141395.db2.gz OSBKEDOAZUPHOL-CPCREDONSA-N 0 1 604.792 6.675 50 0 KKAAMN CC(NC[C@@H]1c2ccccc2C(=O)N(CCc2ccccc2)[C@H]1c1ccc2c(c1)c1ccccc1n2C)=C1C(=O)NC(=O)N(C)C1=O ZINC000575442878 1071142172 /nfs/dbraw/zinc/14/21/72/1071142172.db2.gz IHBVCQHBKNABEK-BDKNHIOSSA-N 0 1 625.729 5.427 50 0 KKAAMN COc1cccc(NC(=O)COc2ccc(-c3ncccn3)cc2CN2CC=C(c3ccccc3)CC2)c1 ZINC000012053915 1071235889 /nfs/dbraw/zinc/23/58/89/1071235889.db2.gz QUTDNVCNAJOTNH-UHFFFAOYSA-N 0 1 506.606 5.459 50 0 KKAAMN O=C(c1cncs1)N1CCCC[C@H]1CCOc1cccc(CN2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000014981018 1071245408 /nfs/dbraw/zinc/24/54/08/1071245408.db2.gz NVEDLDMKLGJQHL-DEOSSOPVSA-N 0 1 525.118 5.583 50 0 KKAAMN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(-c2cc3ccccc3[nH]2)n[nH]1 ZINC000604405060 1071271797 /nfs/dbraw/zinc/27/17/97/1071271797.db2.gz PGERWJLHYICYQT-FZADTRDJSA-N 0 1 679.778 5.595 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccs3)N3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000016006962 1071314171 /nfs/dbraw/zinc/31/41/71/1071314171.db2.gz QBXBPMJJFOTNIV-HSUMMUPSSA-N 0 1 516.622 6.038 50 0 KKAAMN CN1CC2=C(N=C3SC=C(c4ccc(Br)cc4)N3[C@H]2c2ccc(OC(F)F)cc2)/C(=C/c2ccc(OC(F)F)cc2)C1 ZINC000150517378 1071327716 /nfs/dbraw/zinc/32/77/16/1071327716.db2.gz QMKYFYXUFCSLJR-BSKIJULFSA-N 0 1 658.515 8.393 50 0 KKAAMN O=[N+]([O-])c1cccc(-c2csc(N[P@@](=O)(/C=C(/Cl)c3ccccc3)/C=C(\Cl)c3ccccc3)n2)c1 ZINC000096022216 1072833566 /nfs/dbraw/zinc/83/35/66/1072833566.db2.gz ASHJIQWIEXLXKS-XRBXDRSNSA-N 0 1 542.384 8.883 50 0 KKAAMN FC(F)(F)c1cc(-c2ccc(Cl)cc2)n(-c2n[nH]c(=S)n2N=Cc2ccc(Br)cc2)n1 ZINC000254483381 1072857361 /nfs/dbraw/zinc/85/73/61/1072857361.db2.gz AUXMRWYVUXOMBB-UHFFFAOYSA-N 0 1 527.757 6.110 50 0 KKAAMN CCOc1ccc(N=C2SC(CC(=O)c3ccc(C)c(C)c3)C(=O)N2c2ccc(OCC)cc2)cc1 ZINC000254766108 1072878604 /nfs/dbraw/zinc/87/86/04/1072878604.db2.gz WFVKIHGXJLHZFK-MHZLTWQESA-N 0 1 502.636 6.510 50 0 KKAAMN CCOc1ccc(N=C2SC(CC(=O)c3ccc(OC)cc3)C(=O)N2c2ccc(OCC)cc2)cc1 ZINC000254854053 1072885526 /nfs/dbraw/zinc/88/55/26/1072885526.db2.gz MXDOWEXMQJTKFH-AREMUKBSSA-N 0 1 504.608 5.902 50 0 KKAAMN O=C(c1ccncc1)N1CCCC[C@@H]1CCOc1cccc(CN2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000015006740 1072896391 /nfs/dbraw/zinc/89/63/91/1072896391.db2.gz IKMIWNXVEMWELP-HHHXNRCGSA-N 0 1 519.089 5.521 50 0 KKAAMN O=C(c1ccoc1)N1CCCC[C@H]1CCOc1cccc(CN2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000055227062 1072899876 /nfs/dbraw/zinc/89/98/76/1072899876.db2.gz SJXUKKKNTMTKBZ-SANMLTNESA-N 0 1 508.062 5.719 50 0 KKAAMN O=C(c1ccccc1)N1CCN(C[C@@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1 ZINC000000639581 551506888 /nfs/dbraw/zinc/50/68/88/551506888.db2.gz DFPFJDYKYMTSJK-OAQYLSRUSA-N 0 1 571.313 5.138 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2cnn3c2nc(-c2ccc(C)cc2)cc3C(F)F)cc1 ZINC000000649272 551510993 /nfs/dbraw/zinc/51/09/93/551510993.db2.gz TZBQWHXRARTOMD-UHFFFAOYSA-N 0 1 563.586 5.704 50 0 KKAAMN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)c(Cl)c1Cl ZINC000000982806 551592268 /nfs/dbraw/zinc/59/22/68/551592268.db2.gz LFGRLUBPXKQAJM-UHFFFAOYSA-N 0 1 555.383 5.622 50 0 KKAAMN COC(=O)c1sccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000001027440 551597941 /nfs/dbraw/zinc/59/79/41/551597941.db2.gz CFHKZGXBNQJPEB-UHFFFAOYSA-N 0 1 525.448 6.165 50 0 KKAAMN O=C(NCc1ccc(S(=O)(=O)Nc2ccc(Oc3c(Cl)cccc3Cl)nc2)s1)c1ccccc1 ZINC000001035284 551598490 /nfs/dbraw/zinc/59/84/90/551598490.db2.gz MQVSQJHLSLYBAQ-UHFFFAOYSA-N 0 1 534.446 5.973 50 0 KKAAMN COc1ccc(Br)c(-c2nnc(-c3ccccc3NS(=O)(=O)c3ccc(Cl)cc3)o2)c1 ZINC000001044611 551599077 /nfs/dbraw/zinc/59/90/77/551599077.db2.gz HNHJXTVJJXUZFO-UHFFFAOYSA-N 0 1 520.792 5.629 50 0 KKAAMN CC(=O)c1ccc(NC(=O)CSc2nnc(-c3cc(-c4ccco4)n[nH]3)n2-c2cccc(C(F)(F)F)c2)cc1 ZINC000001441067 551672948 /nfs/dbraw/zinc/67/29/48/551672948.db2.gz AECNRGGNSSIDFD-UHFFFAOYSA-N 0 1 552.538 5.870 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000001870163 551719391 /nfs/dbraw/zinc/71/93/91/551719391.db2.gz TZUNLFJDWCLZIL-OCBJUFRSSA-N 0 1 599.481 6.396 50 0 KKAAMN CC(C)(C)c1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2ccccc2)cc(C(C)(C)C)c1O ZINC000001900894 551730913 /nfs/dbraw/zinc/73/09/13/551730913.db2.gz UTCYUDYBHIVTMJ-SLQPCKNISA-N 0 1 577.519 6.801 50 0 KKAAMN O=C1C(Nc2ccc(Br)cc2)=C[C@@H](c2ccc(Br)cc2)N1c1ccc(Br)cc1 ZINC000002591621 552133005 /nfs/dbraw/zinc/13/30/05/552133005.db2.gz OQLLPHLXATWDKK-NRFANRHFSA-N 0 1 563.087 7.058 50 0 KKAAMN Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=S)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000002855695 552202227 /nfs/dbraw/zinc/20/22/27/552202227.db2.gz HVVUSJJEEQIBRI-UHFFFAOYSA-N 0 1 562.508 5.255 50 0 KKAAMN O=C(Nc1ccccc1)c1ccc(Br)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 ZINC000003096184 552287221 /nfs/dbraw/zinc/28/72/21/552287221.db2.gz XTJKODSWLKCDBK-UHFFFAOYSA-N 0 1 510.207 5.265 50 0 KKAAMN COc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4OC)cc3)c3ccccc3n2)cc1 ZINC000003214838 552306466 /nfs/dbraw/zinc/30/64/66/552306466.db2.gz XEJQXVXCLJPBES-UHFFFAOYSA-N 0 1 539.613 5.972 50 0 KKAAMN O=C(Nc1ccccc1N1CCOCC1)c1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(Cl)cc1Cl ZINC000003215229 552306846 /nfs/dbraw/zinc/30/68/46/552306846.db2.gz ZEELZDHKQKZPLR-UHFFFAOYSA-N 0 1 540.856 5.537 50 0 KKAAMN COc1ccc(NC(=O)c2ccc(NC(=O)c3cc(S(=O)(=O)Nc4ccccc4OC)ccc3C)cc2)cc1 ZINC000003215537 552306978 /nfs/dbraw/zinc/30/69/78/552306978.db2.gz GJQVQMBCOHPZRE-UHFFFAOYSA-N 0 1 545.617 5.318 50 0 KKAAMN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000003264292 552327823 /nfs/dbraw/zinc/32/78/23/552327823.db2.gz FWDXOTJEOVTGPK-UHFFFAOYSA-N 0 1 575.495 6.952 50 0 KKAAMN S=C(Nc1ccccc1Cl)C1=C(N2CCCCC2)/C(=C/c2cccc(Oc3ccccc3)c2)CC1 ZINC000003279501 552335322 /nfs/dbraw/zinc/33/53/22/552335322.db2.gz QWBPSVKOEFHCGN-BSYVCWPDSA-N 0 1 501.095 8.489 50 0 KKAAMN Cc1ccc(-c2cc(NS(=O)(=O)c3cc(Br)ccc3Br)n(-c3ccccc3)n2)cc1 ZINC000003316119 552353940 /nfs/dbraw/zinc/35/39/40/552353940.db2.gz RMTXGOJRKPPPCG-UHFFFAOYSA-N 0 1 547.272 6.174 50 0 KKAAMN COc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000003328531 552358187 /nfs/dbraw/zinc/35/81/87/552358187.db2.gz LTLJZSQRRRWCBF-UHFFFAOYSA-N 0 1 519.362 5.162 50 0 KKAAMN COc1ccc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000003336772 552361369 /nfs/dbraw/zinc/36/13/69/552361369.db2.gz XQUGUZOXGZCAGR-UHFFFAOYSA-N 0 1 525.558 5.071 50 0 KKAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=S)Nc2cccc(C)c2C)cc1 ZINC000003340714 552362746 /nfs/dbraw/zinc/36/27/46/552362746.db2.gz SAJCYMSTSLAXRL-UHFFFAOYSA-N 0 1 534.501 6.074 50 0 KKAAMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)c2cc(C)n(Cc3ccc4c(c3)OCO4)c2C)n1 ZINC000003378374 552377071 /nfs/dbraw/zinc/37/70/71/552377071.db2.gz XPPFUCNRYFEYJS-UHFFFAOYSA-N 0 1 511.003 5.304 50 0 KKAAMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1c2ccccc2nc2c1CN(Cc1ccccc1)CC2 ZINC000003437937 552386806 /nfs/dbraw/zinc/38/68/06/552386806.db2.gz FJZHGDHTWMAUJR-UHFFFAOYSA-N 0 1 505.666 5.106 50 0 KKAAMN CCOc1ccc(/C=C/C(=O)Nc2ccc3nc4c(c(Nc5ccccc5OC)c3c2)CCCC4)cc1OC ZINC000003646161 552401623 /nfs/dbraw/zinc/40/16/23/552401623.db2.gz RCBKBLOTTUUJDZ-NBVRZTHBSA-N 0 1 523.633 6.925 50 0 KKAAMN COc1cccc(NC(=O)[C@@H](OC(=O)c2ccccc2NS(=O)(=O)c2cc(C)ccc2C)c2ccccc2)c1 ZINC000004529397 552463201 /nfs/dbraw/zinc/46/32/01/552463201.db2.gz CZWOVCXZUIEYPV-NDEPHWFRSA-N 0 1 544.629 5.650 50 0 KKAAMN CCCCOc1ccc([C@@H](C)NC(=O)c2c[nH]c3ccc(S(=O)(=O)Nc4ccc(CC)cc4)cc3c2=O)cc1 ZINC000004647457 552470641 /nfs/dbraw/zinc/47/06/41/552470641.db2.gz IPRDIFJCEGSEOP-HXUWFJFHSA-N 0 1 547.677 5.561 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCCN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000004761900 552478339 /nfs/dbraw/zinc/47/83/39/552478339.db2.gz LPYDEHCQWKPZTP-PMERELPUSA-N 0 1 621.754 5.297 50 0 KKAAMN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCCN2CCN(c3ccccc3)CC2)cc1 ZINC000004762083 552478772 /nfs/dbraw/zinc/47/87/72/552478772.db2.gz AFOAFQMXIOXLEO-PMERELPUSA-N 0 1 617.841 5.350 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCCN2CCN(c3ccccc3)CC2)cc1 ZINC000004762091 552478867 /nfs/dbraw/zinc/47/88/67/552478867.db2.gz MNEXNVCVZJIIJZ-JGCGQSQUSA-N 0 1 629.827 5.417 50 0 KKAAMN CSc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCCN3CCN(c4ccc(F)cc4)CC3)C2=S)c1 ZINC000004762190 552479135 /nfs/dbraw/zinc/47/91/35/552479135.db2.gz HIPONTQUJQXRSN-NDEPHWFRSA-N 0 1 626.223 5.744 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3cccc(C(C)=O)c3)C2=O)c1 ZINC000005940094 552513317 /nfs/dbraw/zinc/51/33/17/552513317.db2.gz PHIGTIGFTFXUAH-ZXVVBBHZSA-N 0 1 567.623 5.339 50 0 KKAAMN O=C1OC(C(c2ccccc2)c2ccccc2)=N/C1=C\c1cc(Br)cc(Br)c1O ZINC000006017252 552519945 /nfs/dbraw/zinc/51/99/45/552519945.db2.gz QCXBJHYOIUJKCU-UNOMPAQXSA-N 0 1 513.185 6.046 50 0 KKAAMN C[N@@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000006102570 552534522 /nfs/dbraw/zinc/53/45/22/552534522.db2.gz FMTODOGGTULXOJ-QHCPKHFHSA-N 0 1 528.518 6.297 50 0 KKAAMN C[N@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000006102570 552534526 /nfs/dbraw/zinc/53/45/26/552534526.db2.gz FMTODOGGTULXOJ-QHCPKHFHSA-N 0 1 528.518 6.297 50 0 KKAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1 ZINC000006141960 552543336 /nfs/dbraw/zinc/54/33/36/552543336.db2.gz BOKHIVYZLHBARI-VGOFMYFVSA-N 0 1 535.847 5.954 50 0 KKAAMN CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1 ZINC000006143754 552545428 /nfs/dbraw/zinc/54/54/28/552545428.db2.gz RKKQGZSCOWQTIJ-UHFFFAOYSA-N 0 1 559.673 5.362 50 0 KKAAMN COc1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(Br)cc3)cc2)cc1 ZINC000006146402 552547990 /nfs/dbraw/zinc/54/79/90/552547990.db2.gz DWERYKCGIUCXFF-UHFFFAOYSA-N 0 1 580.460 5.763 50 0 KKAAMN CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)c4ccc(C)cc4)c(CN(CCC)CCC)c3oc2C(F)(F)F)cc1 ZINC000006166774 552556656 /nfs/dbraw/zinc/55/66/56/552556656.db2.gz QEBTZXBEZKSKTC-UHFFFAOYSA-N 0 1 595.658 8.706 50 0 KKAAMN CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)c4ccc(OCC)cc4)c(CN(CCC)CCC)c3oc2C(F)(F)F)cc1 ZINC000006166891 552557559 /nfs/dbraw/zinc/55/75/59/552557559.db2.gz OYXHDPURNHUVFQ-UHFFFAOYSA-N 0 1 625.684 8.797 50 0 KKAAMN CCCN(CCC)Cc1c(OC(=O)c2ccc(OCC)cc2)ccc2c(=O)c(Oc3ccc(C)c(C)c3)c(C(F)(F)F)oc21 ZINC000006166916 552557776 /nfs/dbraw/zinc/55/77/76/552557776.db2.gz DSUUTUCXKJSTQI-UHFFFAOYSA-N 0 1 611.657 8.461 50 0 KKAAMN Fc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4nc(-c5ccc(F)cc5)[nH]c4-c4ccccc4)cc3)[nH]2)cc1 ZINC000006446720 552589471 /nfs/dbraw/zinc/58/94/71/552589471.db2.gz IIXVQSWSKSDNHE-UHFFFAOYSA-N 0 1 550.612 9.413 50 0 KKAAMN Fc1ccc(-c2nc(-c3ccc(-c4nc(-c5ccc(F)cc5)[nH]c4-c4ccccc4)cc3)c(-c3ccccc3)[nH]2)cc1 ZINC000006446720 552589474 /nfs/dbraw/zinc/58/94/74/552589474.db2.gz IIXVQSWSKSDNHE-UHFFFAOYSA-N 0 1 550.612 9.413 50 0 KKAAMN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000006489916 552595781 /nfs/dbraw/zinc/59/57/81/552595781.db2.gz UHENINWZJKENQF-UHFFFAOYSA-N 0 1 547.434 6.046 50 0 KKAAMN COc1ccc(-c2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)c(-c3ccc(F)cc3)[nH]2)cc1OC ZINC000008594769 553087614 /nfs/dbraw/zinc/08/76/14/553087614.db2.gz JSXARQVRRKRPGJ-UHFFFAOYSA-N 0 1 521.570 5.402 50 0 KKAAMN CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CCN(C4CCCCC4)CC3)cnn2-c2cccc(Cl)c2)CC1 ZINC000008596870 553091281 /nfs/dbraw/zinc/09/12/81/553091281.db2.gz BEUWHLVTRVMUQM-UHFFFAOYSA-N 0 1 556.151 5.731 50 0 KKAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)c3ccc4nc(N5CCC(C)CC5)sc4c3)CC2)c1 ZINC000008610306 553101282 /nfs/dbraw/zinc/10/12/82/553101282.db2.gz VYIYIQXHQKRQAQ-UHFFFAOYSA-N 0 1 505.732 5.092 50 0 KKAAMN O=C(NCc1ccc(S(=O)(=O)Nc2ccc(Oc3ncnc4cc(Cl)ccc43)nc2)s1)c1ccccc1 ZINC000008636685 553105173 /nfs/dbraw/zinc/10/51/73/553105173.db2.gz QVEPGTDUUNKSCM-UHFFFAOYSA-N 0 1 552.037 5.263 50 0 KKAAMN O=C(Nc1ccc(S(=O)(=O)Nc2nccc(/C=C/c3cccs3)n2)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000008695385 553121670 /nfs/dbraw/zinc/12/16/70/553121670.db2.gz TUQUVQAMDVZYTE-XVNBXDOJSA-N 0 1 546.461 6.460 50 0 KKAAMN O=C1NC(=O)[C@]2(Cc3cc(C(F)(F)F)ccc3N3CC[C@H](c4ccccc4)C[C@H]32)C(=O)N1c1ccccc1 ZINC000008695437 553121702 /nfs/dbraw/zinc/12/17/02/553121702.db2.gz XLCHVKBGAJZNNR-MPQSRKKISA-N 0 1 519.523 6.124 50 0 KKAAMN COc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc(C(F)(F)F)ccc4N4CC[C@@H](c5ccccc5)C[C@@H]43)C2=O)cc1 ZINC000008695438 553121714 /nfs/dbraw/zinc/12/17/14/553121714.db2.gz OEWAZWLVYAICKM-KECVGCMWSA-N 0 1 549.549 5.292 50 0 KKAAMN Clc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2OC32CCN(Cc3ccccc3)CC2)cc1 ZINC000008717733 553129139 /nfs/dbraw/zinc/12/91/39/553129139.db2.gz IPRXCUJBXRULAJ-VWLOTQADSA-N 0 1 522.874 6.638 50 0 KKAAMN Clc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2OC32CCN(Cc3ccccc3)CC2)cc1 ZINC000008717734 553129151 /nfs/dbraw/zinc/12/91/51/553129151.db2.gz IPRXCUJBXRULAJ-RUZDIDTESA-N 0 1 522.874 6.638 50 0 KKAAMN [O-][C@]1(C(F)(F)F)C=C(C=Cc2ccccc2O)[NH2+]N1c1nc(-c2ccc(Br)cc2)cs1 ZINC000008754037 553135712 /nfs/dbraw/zinc/13/57/12/553135712.db2.gz XKDYHQLEYRLWDR-OSICKASQSA-N 0 1 510.335 5.809 50 0 KKAAMN CCC1=Nc2cc(C(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)ccc2Sc2ccc(C)cc21 ZINC000008813163 553150621 /nfs/dbraw/zinc/15/06/21/553150621.db2.gz DRFCMOSHAIMDHG-UHFFFAOYSA-N 0 1 533.141 6.586 50 0 KKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(Cl)c(C)cc4O)c3[C@H]2c2ccc(Cl)cc2)cc1 ZINC000008845165 553165511 /nfs/dbraw/zinc/16/55/11/553165511.db2.gz TZDWLYWUNIYXCU-AREMUKBSSA-N 0 1 508.405 6.194 50 0 KKAAMN CCOc1cc([C@@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2Cc2ccccc2Cl)ccc1O ZINC000008845163 553165625 /nfs/dbraw/zinc/16/56/25/553165625.db2.gz ZBLTXNGNLXBQRN-AREMUKBSSA-N 0 1 503.986 5.902 50 0 KKAAMN COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)ccc1OC(=O)c1cccc2ccccc21 ZINC000008923133 553190330 /nfs/dbraw/zinc/19/03/30/553190330.db2.gz SPJXXTJDQBPIJC-MHZLTWQESA-N 0 1 527.646 6.325 50 0 KKAAMN CC(C)(C)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(Cl)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000009076597 553207950 /nfs/dbraw/zinc/20/79/50/553207950.db2.gz DVVAALJWNSDPOX-SQRAXXTESA-N 0 1 511.021 5.928 50 0 KKAAMN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(=C(O)c2ccccc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000009109805 553209927 /nfs/dbraw/zinc/20/99/27/553209927.db2.gz RPAOVPSORWAUDF-ACIRYHQQSA-N 0 1 525.048 6.237 50 0 KKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(C)cc(C)c4O)c3[C@@H]2c2cccc(Cl)c2)cc1OC ZINC000009123900 553212569 /nfs/dbraw/zinc/21/25/69/553212569.db2.gz XORIDVCYIHTBED-MHZLTWQESA-N 0 1 518.013 5.858 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccccc5Cl)nc4c32)cc1 ZINC000009215703 553221318 /nfs/dbraw/zinc/22/13/18/553221318.db2.gz GRBUPSYPFSIXKU-DEOSSOPVSA-N 0 1 520.980 6.233 50 0 KKAAMN O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)c1cc(-c2ccccc2)c(N2CCCCC2)s1 ZINC000009229165 553223311 /nfs/dbraw/zinc/22/33/11/553223311.db2.gz OBIYAFFLRGVTIL-UHFFFAOYSA-N 0 1 506.691 5.487 50 0 KKAAMN CCOc1ccc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2Cc2cccnc2)cc1OC ZINC000009243117 553226715 /nfs/dbraw/zinc/22/67/15/553226715.db2.gz RAROXOAPCDECFB-SANMLTNESA-N 0 1 504.974 5.292 50 0 KKAAMN Cc1ccc2c(c1)NC(C)(C)c1ss/c(=N\c3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)c1-2 ZINC000009327478 553241757 /nfs/dbraw/zinc/24/17/57/553241757.db2.gz SBPMRXVJBPKVDI-QYQHSDTDSA-N 0 1 509.682 5.577 50 0 KKAAMN CCCCN(CCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1)Cc1ccco1 ZINC000009433700 553263659 /nfs/dbraw/zinc/26/36/59/553263659.db2.gz WFEMJSZDVAMTCD-WUFINQPMSA-N 0 1 519.711 5.983 50 0 KKAAMN COc1ccc(-c2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)C4c2ccccc2OC)cc1 ZINC000009487777 553272924 /nfs/dbraw/zinc/27/29/24/553272924.db2.gz UZIIBFSTTMLMQM-RUZDIDTESA-N 0 1 516.561 5.589 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccc(C)cc5)nc4c32)cc1 ZINC000009583969 553282366 /nfs/dbraw/zinc/28/23/66/553282366.db2.gz KNUPPFSPOZENJI-VWLOTQADSA-N 0 1 500.562 5.888 50 0 KKAAMN O=c1c2sc3ccccc3c2nc(SCc2ccccc2F)n1C1CCN(Cc2ccccc2)CC1 ZINC000009665247 553293498 /nfs/dbraw/zinc/29/34/98/553293498.db2.gz KSBYNGNDFHUJQF-UHFFFAOYSA-N 0 1 515.679 6.880 50 0 KKAAMN CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)CC1 ZINC000010059887 553327449 /nfs/dbraw/zinc/32/74/49/553327449.db2.gz VMLQAPMTNRABKX-UHFFFAOYSA-N 0 1 502.398 5.434 50 0 KKAAMN CN(C)Cc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)NCCc1nc2cc(Cl)ccc2[nH]1 ZINC000011784898 553342660 /nfs/dbraw/zinc/34/26/60/553342660.db2.gz ZSCZAUBVUNDNOL-UHFFFAOYSA-N 0 1 520.058 5.292 50 0 KKAAMN CN(Cc1cc2ccccc2s1)C(=O)[C@@H]1C[C@@H](Sc2ncccn2)CN1CC1=CC[C@H]2C[C@@H]1C2(C)C ZINC000011997258 553349960 /nfs/dbraw/zinc/34/99/60/553349960.db2.gz SSGSUVLYPHBJKB-VHXCZSFDSA-N 0 1 518.752 5.877 50 0 KKAAMN CN(Cc1cnn(C)c1)Cc1ccc(OC2CCN(C(=O)[C@H](c3ccccc3)C3CCCC3)CC2)cc1 ZINC000012219207 553354624 /nfs/dbraw/zinc/35/46/24/553354624.db2.gz RWWFCNGZERGFLC-SSEXGKCCSA-N 0 1 500.687 5.396 50 0 KKAAMN O=C(/C=C/c1cccs1)N1CCC[C@@H](COc2ccc(CN3CCN(c4ccccc4)CC3)cc2)C1 ZINC000012247610 553355203 /nfs/dbraw/zinc/35/52/03/553355203.db2.gz ZHRDDCPCFRGFLZ-ZUSJUXBOSA-N 0 1 501.696 5.401 50 0 KKAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccccc2)cc1 ZINC000012624838 553404924 /nfs/dbraw/zinc/40/49/24/553404924.db2.gz MBRAOHVDLNAIAI-INIZCTEOSA-N 0 1 519.417 5.055 50 0 KKAAMN COc1ccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)c(OC)c1OC ZINC000013129169 553450331 /nfs/dbraw/zinc/45/03/31/553450331.db2.gz KSXLISIUGGVAFF-UHFFFAOYSA-N 0 1 511.383 5.072 50 0 KKAAMN CCCOc1ccc(C(=O)Nc2ccc(OC)c(NS(=O)(=O)c3ccc(F)cc3)c2)cc1OCC ZINC000013140032 553454182 /nfs/dbraw/zinc/45/41/82/553454182.db2.gz MYDQQIYCXFELOR-UHFFFAOYSA-N 0 1 502.564 5.075 50 0 KKAAMN COc1cc(OC)c(-c2nc(-c3cccc(Cl)c3Cl)c(-c3ccccc3)[nH]2)cc1Br ZINC000013533431 553469484 /nfs/dbraw/zinc/46/94/84/553469484.db2.gz SYFKTJDMUZRZGH-UHFFFAOYSA-N 0 1 504.211 7.497 50 0 KKAAMN CCOC(=O)/C=C(/CSc1nc2ccccc2s1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000013581684 553475794 /nfs/dbraw/zinc/47/57/94/553475794.db2.gz BDKYCZSCFKLOND-DAFNUICNSA-N 0 1 529.731 6.243 50 0 KKAAMN Cc1[nH]c2ccccc2c1[C@@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000013759232 553488565 /nfs/dbraw/zinc/48/85/65/553488565.db2.gz ZNEGYHPAXNBYEZ-SMIHKQSGSA-N 0 1 502.368 5.290 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4cccc(F)c4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000013806999 553491769 /nfs/dbraw/zinc/49/17/69/553491769.db2.gz CMVWLEGROGMBLI-VJGNERBWSA-N 0 1 504.558 5.454 50 0 KKAAMN CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(CC)C4)ccc1OC(=O)c1cccc2ccccc21 ZINC000015947263 553545112 /nfs/dbraw/zinc/54/51/12/553545112.db2.gz ZQOLKVJBARGKNO-HHHXNRCGSA-N 0 1 527.646 6.326 50 0 KKAAMN COc1ccc2c(Cl)c(C(=O)Nc3cccc(S(=O)(=O)Nc4ccccc4OC)c3)sc2c1 ZINC000015982290 553549036 /nfs/dbraw/zinc/54/90/36/553549036.db2.gz SARQHBPUPNREFA-UHFFFAOYSA-N 0 1 503.001 5.625 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2[C@H](C(C)=O)N3c4ccc5ccccc5c4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000016001753 553550090 /nfs/dbraw/zinc/55/00/90/553550090.db2.gz WFTKIDHKJDWAQE-RFGOCLGJSA-N 0 1 514.581 5.411 50 0 KKAAMN CCCCCc1ccc(C(=O)[C@H]2[C@@H](C(C)=O)N3c4ccccc4C=C[C@H]3[C@]23c2ccccc2NC3=O)cc1 ZINC000016040625 553552956 /nfs/dbraw/zinc/55/29/56/553552956.db2.gz KUKFSQBSHYCAEZ-CFNUTJGKSA-N 0 1 504.630 5.982 50 0 biogenic KKAAMN CCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(C(C)=O)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000017991135 553601070 /nfs/dbraw/zinc/60/10/70/553601070.db2.gz RAYJLBGXBQZTPU-FCEKVYKBSA-N 0 1 514.578 5.128 50 0 KKAAMN CCCCCc1ccc(C(=O)[C@@H]2[C@@H](C(C)=O)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@]23c2ccccc2NC3=O)cc1 ZINC000070686605 553605294 /nfs/dbraw/zinc/60/52/94/553605294.db2.gz SDJJXVSVWNITGM-ZGHMXWQUSA-N 0 1 532.684 6.680 50 0 biogenic KKAAMN O=C1Nc2ccc(Cl)cc2[C@@]12C(=C(O)c1ccc(Br)cc1)[C@]1(C(=O)Nc3ccccc31)[C@H]1CCCN12 ZINC000070686516 553605299 /nfs/dbraw/zinc/60/52/99/553605299.db2.gz PNDSHIATOJKPKN-SAYRZEODSA-N 0 1 562.851 5.117 50 0 biogenic KKAAMN CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(=C(O)c1ccc(CC(C)C)cc1)[C@]21C(=O)Nc2ccccc21 ZINC000070686759 553605555 /nfs/dbraw/zinc/60/55/55/553605555.db2.gz QYLVZMIETVLXEO-QVJCSHTLSA-N 0 1 566.701 7.131 50 0 biogenic KKAAMN CC(=O)[C@@H]1[C@@H](C(=O)c2ccc(CC(C)C)cc2)[C@@]2(c3ccccc3NC2=O)[C@H]2C=Cc3cc(C)ccc3N21 ZINC000070686749 553605629 /nfs/dbraw/zinc/60/56/29/553605629.db2.gz OJLMKJSKBFILEK-NDQSGYKOSA-N 0 1 504.630 5.756 50 0 biogenic KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(OCC)cc4)c(O)c3ON2c2ccccc2)cc1OC ZINC000018178877 553607508 /nfs/dbraw/zinc/60/75/08/553607508.db2.gz NVXWALLRGFWALS-IARZGTGTSA-N 0 1 516.594 5.324 50 0 KKAAMN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(OCC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000018178877 553607511 /nfs/dbraw/zinc/60/75/11/553607511.db2.gz NVXWALLRGFWALS-IARZGTGTSA-N 0 1 516.594 5.324 50 0 KKAAMN Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4nc(C(F)(F)F)c[nH]4)c3)ccc21 ZINC000018710085 553612460 /nfs/dbraw/zinc/61/24/60/553612460.db2.gz YABJJWZLRMPFSI-UHFFFAOYSA-N 0 1 518.421 6.932 50 0 investigational KKAAMN CCOc1ccc(CCNC(=O)[C@H]2CCCN(Cc3nc(-c4ccccc4C)oc3C)C2)cc1OCC ZINC000020240909 553626766 /nfs/dbraw/zinc/62/67/66/553626766.db2.gz WFTYPVSRZVKVGJ-DEOSSOPVSA-N 0 1 505.659 5.327 50 0 KKAAMN CCOC(=O)c1ccc2nc(C(F)(F)F)nc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000019881361 553629440 /nfs/dbraw/zinc/62/94/40/553629440.db2.gz ZTPNMYXCKANCJS-UHFFFAOYSA-N 0 1 520.555 5.737 50 0 KKAAMN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@H](c1cccc(OCc3cccc4ccccc43)c1)CC(=O)N2 ZINC000072402896 553651692 /nfs/dbraw/zinc/65/16/92/553651692.db2.gz XZYFWLUDPPQBGK-QHCPKHFHSA-N 0 1 501.550 5.703 50 0 KKAAMN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)COc5cc(O)c6c(=O)cc(-c7ccccc7)oc6c5)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1 ZINC000079183230 553666334 /nfs/dbraw/zinc/66/63/34/553666334.db2.gz TVGNSDOGCLLGGR-JITOJYLYSA-N 0 1 694.953 10.888 50 0 biogenic KKAAMN O=C(CCCc1cn(CN2CCN(c3nsc4ccccc43)CC2)c2ccccc12)N1CCCCC1 ZINC000020646942 553685264 /nfs/dbraw/zinc/68/52/64/553685264.db2.gz IQGUCDVAEKREHT-UHFFFAOYSA-N 0 1 501.700 5.366 50 0 KKAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2ccc(OCC(C)C)c(OC)c2)cc1 ZINC000085877512 553689416 /nfs/dbraw/zinc/68/94/16/553689416.db2.gz ICHRHVSPYKSFKO-FQEVSTJZSA-N 0 1 516.546 5.659 50 0 biogenic KKAAMN O=C(COc1cc(Cl)c(Cl)cc1Cl)NCCCN1CCN(CCCNC(=O)COc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000095862355 553714114 /nfs/dbraw/zinc/71/41/14/553714114.db2.gz NFNNAWJSSOTNTR-UHFFFAOYSA-N 0 1 675.268 5.695 50 0 KKAAMN O=C1C[C@@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000095883205 553714746 /nfs/dbraw/zinc/71/47/46/553714746.db2.gz WTOGLEYHVLFHJV-SSEXGKCCSA-N 0 1 517.629 5.518 50 0 KKAAMN Cc1[nH]c2ccccc2c1[C@H](c1ccc(F)cc1)N1CCN([C@H](c2c(C)[nH]c3ccccc32)c2ccc(F)cc2)CC1 ZINC000022030390 553722962 /nfs/dbraw/zinc/72/29/62/553722962.db2.gz CCGBCMYLKHZNND-ZPGRZCPFSA-N 0 1 560.692 8.041 50 0 KKAAMN S=c1n(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)nc([C@H]2COc3ccccc3O2)n1-c1ccccc1 ZINC000022036768 553723238 /nfs/dbraw/zinc/72/32/38/553723238.db2.gz NQFBNPJXHQLPMN-WJOKGBTCSA-N 0 1 575.738 6.280 50 0 KKAAMN Cn1c(-c2cccc3ccccc32)nn(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1=S ZINC000096523224 553755434 /nfs/dbraw/zinc/75/54/34/553755434.db2.gz QJOOMHZCFGBADH-UHFFFAOYSA-N 0 1 505.691 6.136 50 0 KKAAMN COc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022852779 553761458 /nfs/dbraw/zinc/76/14/58/553761458.db2.gz QQIHSKSLVGRWFL-HHHXNRCGSA-N 0 1 525.678 5.310 50 0 KKAAMN Cc1[nH]c2ccccc2c1[C@@H](c1cccnc1)N1CCN([C@H](c2c(C)[nH]c3ccccc32)c2cccnc2)CC1 ZINC000022917906 553766769 /nfs/dbraw/zinc/76/67/69/553766769.db2.gz XHWYPQPWPCTFKL-AQOUDTPCSA-N 0 1 526.688 6.553 50 0 KKAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc(OC)c(Br)c2)c1 ZINC000097948103 553791254 /nfs/dbraw/zinc/79/12/54/553791254.db2.gz HXCYIQZBMFYOPA-UHFFFAOYSA-N 0 1 552.469 5.209 50 0 KKAAMN Cc1cccc(-c2cc(C(=O)NCCCN3CCN(CCCNC(=O)c4cc(-c5cccc(C)c5)nc5ccccc54)CC3)c3ccccc3n2)c1 ZINC000097949255 553800963 /nfs/dbraw/zinc/80/09/63/553800963.db2.gz OOAODAJLAOHQFE-UHFFFAOYSA-N 0 1 690.892 7.291 50 0 KKAAMN COc1cccc(-c2cc(C(=O)NCCCN3CCN(CCCNC(=O)c4cc(-c5cccc(OC)c5)nc5ccccc54)CC3)c3ccccc3n2)c1 ZINC000097949282 553801012 /nfs/dbraw/zinc/80/10/12/553801012.db2.gz DTIYXZKWFBOTRN-UHFFFAOYSA-N 0 1 722.890 6.692 50 0 KKAAMN CC1=NN(c2ccccc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CCN(Cc3ccccc3)C[C@@H]12 ZINC000025184577 553805765 /nfs/dbraw/zinc/80/57/65/553805765.db2.gz SAVSFDPMZIGHSU-IXCJQBJRSA-N 0 1 515.455 5.105 50 0 KKAAMN CC1=NN(c2ccccc2)C(=O)[C@]12Cc1cc(C(F)(F)F)ccc1N1CCN(Cc3ccccc3)C[C@@H]12 ZINC000025184663 553805844 /nfs/dbraw/zinc/80/58/44/553805844.db2.gz JGIYYOLCDWVHMV-IXCJQBJRSA-N 0 1 504.556 5.361 50 0 KKAAMN Cc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)Nc2cccc3ccccc32)c(C)c1 ZINC000025390243 553806982 /nfs/dbraw/zinc/80/69/82/553806982.db2.gz FKIZFZYHVOKEKD-UHFFFAOYSA-N 0 1 502.592 5.361 50 0 KKAAMN COc1ccc(-c2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)C4c2ccc(OC)c(OC)c2)cc1 ZINC000097954083 553821260 /nfs/dbraw/zinc/82/12/60/553821260.db2.gz PLSMMTKSNHHUPY-SANMLTNESA-N 0 1 546.587 5.597 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccc(F)cc5)nc4c32)cc1OC ZINC000097954725 553824937 /nfs/dbraw/zinc/82/49/37/553824937.db2.gz XVMLXDNIYDWVIF-VWLOTQADSA-N 0 1 534.551 5.728 50 0 KKAAMN O=C(Nc1ccc(Oc2ccc(Cl)c3ccccc23)c(Cl)c1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000027086305 553825323 /nfs/dbraw/zinc/82/53/23/553825323.db2.gz IPCLAJZIJOPLJV-UHFFFAOYSA-N 0 1 632.352 9.299 50 0 KKAAMN Cn1c(CCN2CCN(c3ccc(F)cc3)CC2)nc2cc(NC(=O)c3cccc(Br)c3)ccc21 ZINC000097956267 553837290 /nfs/dbraw/zinc/83/72/90/553837290.db2.gz VJKAHMSGZHEOIX-UHFFFAOYSA-N 0 1 536.449 5.092 50 0 KKAAMN COc1ccc(Cc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)C4c2ccccc2OC)cc1 ZINC000097956690 553840769 /nfs/dbraw/zinc/84/07/69/553840769.db2.gz TVBRYFJUUQZVIV-MHZLTWQESA-N 0 1 530.588 5.512 50 0 KKAAMN O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(=O)N1c1ccc2nc(C=Cc3ccc(Cl)cc3)[nH]c2c1 ZINC000028645080 553843433 /nfs/dbraw/zinc/84/34/33/553843433.db2.gz OWZBLMBEMUXORE-FPYGCLRLSA-N 0 1 537.617 7.801 50 0 KKAAMN COc1ccc([C@H]2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccc6ccccc6n5)nc4c32)cc1 ZINC000097957191 553845179 /nfs/dbraw/zinc/84/51/79/553845179.db2.gz AHJODCUPHIZONR-MHZLTWQESA-N 0 1 537.583 6.128 50 0 KKAAMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 ZINC000029748499 553849746 /nfs/dbraw/zinc/84/97/46/553849746.db2.gz YCOWBPNEBIJAGM-HKBQPEDESA-N 0 1 587.723 5.831 50 0 KKAAMN Cc1ccc2nc(NC(=O)[C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCc3ccccc3)sc2c1 ZINC000033355526 553935244 /nfs/dbraw/zinc/93/52/44/553935244.db2.gz IMVZUUWFGZAXND-HXUWFJFHSA-N 0 1 713.335 5.996 50 0 KKAAMN O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000033355698 553936465 /nfs/dbraw/zinc/93/64/65/553936465.db2.gz COUHLFJHQDMRMA-KYJUHHDHSA-N 0 1 560.739 5.439 50 0 KKAAMN Cc1ccc(F)cc1N1C(=O)C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@@H]1c1cccs1 ZINC000033358454 553955700 /nfs/dbraw/zinc/95/57/00/553955700.db2.gz DXZCKFRLARVMDL-RBUKOAKNSA-N 0 1 544.218 6.562 50 0 KKAAMN O=C1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@@H](c2ccc(F)cc2)N1c1cccc(C(F)(F)F)c1 ZINC000033358475 553956119 /nfs/dbraw/zinc/95/61/19/553956119.db2.gz XKLZKSYQADFTLJ-UXHICEINSA-N 0 1 592.159 7.211 50 0 KKAAMN CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1ccc(Cl)cc1N1CCN(Cc3ccccc3)C[C@@H]12 ZINC000033429026 553959749 /nfs/dbraw/zinc/95/97/49/553959749.db2.gz DMBVCXJRXPFFAC-IXCJQBJRSA-N 0 1 505.449 5.649 50 0 KKAAMN O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000033719357 553970183 /nfs/dbraw/zinc/97/01/83/553970183.db2.gz SYVBIEIXVXCPGA-UHFFFAOYSA-N 0 1 521.505 6.070 50 0 KKAAMN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CCN2CCCCC2)C(=O)CCc2ccccc2)o1 ZINC000033776108 553973255 /nfs/dbraw/zinc/97/32/55/553973255.db2.gz VIAJYYOEKQCTHK-UHFFFAOYSA-N 0 1 515.698 5.107 50 0 KKAAMN Cc1ccc(/C=C2\CN(C)CC3=C2N=C2SC=C(c4ccc(Cl)cc4)N2[C@@H]3c2ccc(C)cc2)cc1 ZINC000033933715 553977648 /nfs/dbraw/zinc/97/76/48/553977648.db2.gz OQELHGRXMOMMAJ-ZMJKQRLJSA-N 0 1 510.106 7.698 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)/C=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)ccc1N1CCOCC1 ZINC000097980432 553988639 /nfs/dbraw/zinc/98/86/39/553988639.db2.gz VMACIZVEVGRVMB-GZTJUZNOSA-N 0 1 693.800 5.069 50 0 KKAAMN CCOC(=O)c1c(NC=C2c3ccccc3C(=O)N(c3cccc(S(=O)(=O)Nc4ccccc4OC)c3)C2=O)sc2c1CCCC2 ZINC000097980452 553988745 /nfs/dbraw/zinc/98/87/45/553988745.db2.gz CJCLPZHCKNQTSJ-LHLOQNFPSA-N 0 1 657.770 6.253 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ccc(C)cc3)C2=O)c1 ZINC000097980476 553989042 /nfs/dbraw/zinc/98/90/42/553989042.db2.gz WICKGADIHMKINY-LGUFXXKBSA-N 0 1 539.613 5.444 50 0 KKAAMN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)Nc3ccc(Br)cc3)ccc2OC)cc1 ZINC000097981271 553992654 /nfs/dbraw/zinc/99/26/54/553992654.db2.gz ZBRCONCKHBRZHQ-MRXNPFEDSA-N 0 1 553.500 5.573 50 0 KKAAMN Cc1ccc(N2CCCN(Cc3ccc(OC(F)(F)F)cc3)C2=O)c(NS(=O)(=O)c2ccccc2)c1 ZINC000034737779 553998543 /nfs/dbraw/zinc/99/85/43/553998543.db2.gz RIBFGWBRQGDDQZ-UHFFFAOYSA-N 0 1 519.545 5.527 50 0 KKAAMN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccccc1C(=O)OCC(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000097982288 554000866 /nfs/dbraw/zinc/00/08/66/554000866.db2.gz KHAMYUXTAFVNBD-VAPDBKPJSA-N 0 1 543.726 6.254 50 0 KKAAMN O=C(Nc1ccc(N2CCOCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000097982915 554006206 /nfs/dbraw/zinc/00/62/06/554006206.db2.gz WBVQKIGIOGVRQC-UHFFFAOYSA-N 0 1 661.589 5.684 50 0 KKAAMN Cc1cc2sc(N[P@@](=O)(/C=C(/Cl)c3ccccc3)/C=C(\Cl)c3ccccc3)nc2cc1Cl ZINC000097983720 554011362 /nfs/dbraw/zinc/01/13/62/554011362.db2.gz YCORVHPLERHNSH-TVGQLCNQSA-N 0 1 519.821 9.423 50 0 KKAAMN CCN1CCN(c2c(CN(CC(C)C)C(=O)c3ccc(C(F)(F)F)cc3)c(C)nn2-c2ccccc2)CC1 ZINC000034829547 554012177 /nfs/dbraw/zinc/01/21/77/554012177.db2.gz UEXFURVRTLRJKW-UHFFFAOYSA-N 0 1 527.635 5.640 50 0 KKAAMN CCN1CCN(c2c(CN(CC(C)C)C(=O)Nc3cccc(Cl)c3)c(C)nn2-c2ccccc2)CC1 ZINC000034829560 554012182 /nfs/dbraw/zinc/01/21/82/554012182.db2.gz TYUSGDHFBZTXCM-UHFFFAOYSA-N 0 1 509.098 5.666 50 0 KKAAMN CC(C)(C)P(=NC(=S)Nc1ccc(Cl)c(S(=O)(=O)Nc2cccc(Cl)c2)c1)(N1CCCCCC1)N1CCCCCC1 ZINC000097984075 554013855 /nfs/dbraw/zinc/01/38/55/554013855.db2.gz OLPUFWUKFBHKDU-UHFFFAOYSA-N 0 1 658.702 9.073 50 0 KKAAMN CN(C)P(=NC(=S)Nc1ccc(Cl)c(S(=O)(=O)Nc2cccc(Cl)c2)c1)(c1ccncc1)N(C)C ZINC000097984110 554014252 /nfs/dbraw/zinc/01/42/52/554014252.db2.gz MVCMQEKCQXAAPW-UHFFFAOYSA-N 0 1 571.496 5.366 50 0 KKAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000034830300 554015372 /nfs/dbraw/zinc/01/53/72/554015372.db2.gz LYTUNMVFZHHQPS-RXFWQSSRSA-N 0 1 508.087 5.031 50 0 KKAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000034830382 554015428 /nfs/dbraw/zinc/01/54/28/554015428.db2.gz LUEMCUCYSZVCBV-KDYSTLNUSA-N 0 1 522.114 5.421 50 0 KKAAMN CCN1CCN(c2c(CN(C(=O)c3ccc(C(F)(F)F)cc3)C(C)C)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831317 554016997 /nfs/dbraw/zinc/01/69/97/554016997.db2.gz FVCOFDANOCQXEW-UHFFFAOYSA-N 0 1 531.598 5.531 50 0 KKAAMN Cc1nn(-c2cccc(F)c2)c(N2CCN(C)CC2)c1CN(CCC(C)C)C(=O)CCc1ccccc1 ZINC000034834459 554018843 /nfs/dbraw/zinc/01/88/43/554018843.db2.gz MQKVAHWJNYOJNH-UHFFFAOYSA-N 0 1 505.682 5.079 50 0 KKAAMN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000034834988 554019389 /nfs/dbraw/zinc/01/93/89/554019389.db2.gz PHOBOOVLTQUJEG-HXUWFJFHSA-N 0 1 528.528 6.070 50 0 KKAAMN CCc1nn(-c2ccc(F)cc2)c(N2CCN(C(C)C)CC2)c1CN(CC(C)C)C(=O)C1CCCCC1 ZINC000034835311 554019503 /nfs/dbraw/zinc/01/95/03/554019503.db2.gz MUWYYFDWUNQKNP-UHFFFAOYSA-N 0 1 511.730 5.669 50 0 KKAAMN CCc1nn(-c2ccc(F)cc2)c(N2CCN(C(C)C)CC2)c1CN(CC(C)C)C(=O)COc1ccccc1 ZINC000034835329 554019528 /nfs/dbraw/zinc/01/95/28/554019528.db2.gz IYDJYYOWEGAEMC-UHFFFAOYSA-N 0 1 535.708 5.168 50 0 KKAAMN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)C(=O)c1ccc2ccccc2c1 ZINC000034835014 554019550 /nfs/dbraw/zinc/01/95/50/554019550.db2.gz ULFDVYOTBKNBRI-DEOSSOPVSA-N 0 1 509.698 5.917 50 0 KKAAMN CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCN(Cc3ccccc3)CC2)cc1Br ZINC000097995646 554036446 /nfs/dbraw/zinc/03/64/46/554036446.db2.gz CKOGHWLEGQROAK-UHFFFAOYSA-N 0 1 552.469 5.209 50 0 KKAAMN CN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)c(Cl)c1)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000035397148 554047477 /nfs/dbraw/zinc/04/74/77/554047477.db2.gz SJJBDRLEVFJDTL-UHFFFAOYSA-N 0 1 501.071 5.772 50 0 KKAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1Cl)C(c1ccc(Br)cc1)=N2 ZINC000035397210 554047752 /nfs/dbraw/zinc/04/77/52/554047752.db2.gz MBXYPSVTLIRGKO-UHFFFAOYSA-N 0 1 519.896 5.488 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(Cc5ccc(OC)c(OC)c5)nc4c32)cc1 ZINC000098000055 554048117 /nfs/dbraw/zinc/04/81/17/554048117.db2.gz VSLWSGMBIBNMHC-NDEPHWFRSA-N 0 1 560.614 5.521 50 0 KKAAMN Cc1ccccc1NC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(C(=O)NC2CCCCC2)c1 ZINC000035707384 554065217 /nfs/dbraw/zinc/06/52/17/554065217.db2.gz LCJAEQUDHBRBIB-UHFFFAOYSA-N 0 1 525.697 6.024 50 0 KKAAMN CC(=O)[C@@H]1C(=C(O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3c4ccccc4ccc3N21 ZINC000035843202 554081553 /nfs/dbraw/zinc/08/15/53/554081553.db2.gz JNONEFZBHJQXSE-SVYISMGTSA-N 0 1 519.000 6.055 50 0 KKAAMN O=C(NCCc1ccccc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12 ZINC000035871442 554085931 /nfs/dbraw/zinc/08/59/31/554085931.db2.gz XGMJJTFICUCZKJ-AHKZPQOWSA-N 0 1 511.563 5.067 50 0 KKAAMN COc1ccc(OC)c(CN2CCCN(c3nc(CC(C)C)nc4c3c(C)nn4-c3ccccc3)CC2)c1 ZINC000035924673 554097064 /nfs/dbraw/zinc/09/70/64/554097064.db2.gz APJRRILKPTUEKY-UHFFFAOYSA-N 0 1 514.674 5.052 50 0 KKAAMN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CCN2CCCCC2)C(=O)CCc2ccccc2)cc1OC ZINC000098019825 554114731 /nfs/dbraw/zinc/11/47/31/554114731.db2.gz XMIMRVJWYACMFF-UHFFFAOYSA-N 0 1 575.750 5.124 50 0 KKAAMN COC(=O)c1cccc(CN(CC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccc(Cl)c(Cl)c2)CC(C)C)c1 ZINC000098020070 554116532 /nfs/dbraw/zinc/11/65/32/554116532.db2.gz BKJXVUMTXYULQB-UHFFFAOYSA-N 0 1 580.556 6.991 50 0 KKAAMN CCc1ccc([C@@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000098046961 554145460 /nfs/dbraw/zinc/14/54/60/554145460.db2.gz QSQVSXRKRYSIRA-GDLZYMKVSA-N 0 1 532.040 6.112 50 0 KKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(Cl)c(C)cc4O)c3[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000098046959 554145516 /nfs/dbraw/zinc/14/55/16/554145516.db2.gz OTWGSXCFGHPGLU-HHHXNRCGSA-N 0 1 538.431 6.203 50 0 KKAAMN CCOc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000098049875 554169726 /nfs/dbraw/zinc/16/97/26/554169726.db2.gz ZVPCQNNUTUSRIV-DHIUTWEWSA-N 0 1 564.252 6.760 50 0 KKAAMN CCOc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cccc(OC)c2)cc1 ZINC000098049912 554170168 /nfs/dbraw/zinc/17/01/68/554170168.db2.gz NNCYTMBSSWBQKG-XZOQPEGZSA-N 0 1 580.251 6.460 50 0 KKAAMN CCOc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cccc(OC)c2)cc1 ZINC000098049911 554170215 /nfs/dbraw/zinc/17/02/15/554170215.db2.gz NNCYTMBSSWBQKG-DHIUTWEWSA-N 0 1 580.251 6.460 50 0 KKAAMN CCOc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cc(Cl)cc(Cl)c2)cc1 ZINC000098049946 554170448 /nfs/dbraw/zinc/17/04/48/554170448.db2.gz HTEDPRISVQKJTI-VXKWHMMOSA-N 0 1 619.115 7.758 50 0 KKAAMN COc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1Br ZINC000098050021 554171052 /nfs/dbraw/zinc/17/10/52/554171052.db2.gz XUXCVWWDPWMIQI-FGZHOGPDSA-N 0 1 663.566 7.786 50 0 KKAAMN COc1ccc(OC)c([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(F)c2)c1 ZINC000098050014 554171121 /nfs/dbraw/zinc/17/11/21/554171121.db2.gz ZWAPFFVMJYOOEU-XZOQPEGZSA-N 0 1 598.241 6.518 50 0 KKAAMN CCOc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cc(F)ccc2C)cc1 ZINC000098050039 554171311 /nfs/dbraw/zinc/17/13/11/554171311.db2.gz GRBSZLSBZQEAHK-PKTZIBPZSA-N 0 1 582.242 6.899 50 0 KKAAMN CCOc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cc(F)ccc2C)cc1 ZINC000098050042 554171424 /nfs/dbraw/zinc/17/14/24/554171424.db2.gz GRBSZLSBZQEAHK-XZOQPEGZSA-N 0 1 582.242 6.899 50 0 KKAAMN COc1ccc(OC)c([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cccc(Cl)c2C)c1 ZINC000098050065 554171731 /nfs/dbraw/zinc/17/17/31/554171731.db2.gz KDTTYIWLQKEKLR-DHIUTWEWSA-N 0 1 614.696 7.032 50 0 KKAAMN O=C1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@H](c2cccs2)N1c1ccc(Cl)c(Cl)c1 ZINC000098050084 554172054 /nfs/dbraw/zinc/17/20/54/554172054.db2.gz POKCVYFJWQBXHE-ROUUACIJSA-N 0 1 581.091 7.421 50 0 KKAAMN CCOc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(F)cc2)cc1 ZINC000098050137 554172301 /nfs/dbraw/zinc/17/23/01/554172301.db2.gz VAADGJPKVYCKQZ-VXKWHMMOSA-N 0 1 568.215 6.591 50 0 KKAAMN O[C@H](COCc1ccccc1)CN(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146367 554198221 /nfs/dbraw/zinc/19/82/21/554198221.db2.gz JTVUCQXNNMSOLD-ZEQRLZLVSA-N 0 1 517.428 5.705 50 0 KKAAMN COc1cc(CN(Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)C(C)C)cc(OC)c1 ZINC000036203694 554200980 /nfs/dbraw/zinc/20/09/80/554200980.db2.gz QTQGJSIRYLBSCS-UHFFFAOYSA-N 0 1 507.577 6.270 50 0 KKAAMN Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CN(C[C@H](O)COc1ccccc1C)CC1CC1 ZINC000036304908 554214892 /nfs/dbraw/zinc/21/48/92/554214892.db2.gz FLDVMXRNQGQICX-NDEPHWFRSA-N 0 1 511.666 6.242 50 0 KKAAMN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)cc1 ZINC000100097802 554219220 /nfs/dbraw/zinc/21/92/20/554219220.db2.gz YKJMFOZFQNMQBF-UHFFFAOYSA-N 0 1 540.439 6.269 50 0 KKAAMN Cc1ccc(Oc2c(CN(C[C@H](O)COC(C)(C)C)C[C@H]3CCCO3)c(-c3ccccc3)nn2C)cc1 ZINC000036316073 554219705 /nfs/dbraw/zinc/21/97/05/554219705.db2.gz USSMCBOWIAXEKC-AZGAKELHSA-N 0 1 507.675 5.345 50 0 KKAAMN COc1cccc(C2=NN(C(=O)CN3CCC(Cc4ccccc4)CC3)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000036341150 554220498 /nfs/dbraw/zinc/22/04/98/554220498.db2.gz VKOHHUUQZKVHLP-LJAQVGFWSA-N 0 1 502.058 5.981 50 0 KKAAMN COc1ccc(OC)c([C@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN2CCC(Cc3ccccc3)CC2)c1 ZINC000036341672 554220864 /nfs/dbraw/zinc/22/08/64/554220864.db2.gz WOWWEACVOBCZJG-GDLZYMKVSA-N 0 1 515.629 5.475 50 0 KKAAMN O=C1C[C@@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccccc1Sc1ccccc1 ZINC000100120824 554224116 /nfs/dbraw/zinc/22/41/16/554224116.db2.gz WRJVFYCWAFKQGZ-GDLZYMKVSA-N 0 1 533.697 5.877 50 0 KKAAMN O=C(NC1CCN(c2ccccc2C(=O)N2CCN(C3CCCC3)CC2)CC1)c1ccc(Cl)cc1Cl ZINC000037525529 554250536 /nfs/dbraw/zinc/25/05/36/554250536.db2.gz ATZOIVJHDINZQB-UHFFFAOYSA-N 0 1 529.512 5.093 50 0 KKAAMN Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000038146203 554269553 /nfs/dbraw/zinc/26/95/53/554269553.db2.gz ABZPZZXSHCGVQI-DHLKQENFSA-N 0 1 529.584 5.263 50 0 KKAAMN CC(=O)N1c2cc(S(=O)(=O)Nc3ccc(OCc4ccccc4)cc3)c(Br)cc2C[C@@H]1C ZINC000040450656 554285685 /nfs/dbraw/zinc/28/56/85/554285685.db2.gz GYODONVRJLUPNK-INIZCTEOSA-N 0 1 515.429 5.126 50 0 KKAAMN COc1ccc(-c2cc(C(=O)Nc3nnc(SCc4cccc5ccccc54)s3)no2)cc1OC ZINC000046086083 554320108 /nfs/dbraw/zinc/32/01/08/554320108.db2.gz VPUIGSJSVPZCCL-UHFFFAOYSA-N 0 1 504.593 5.908 50 0 KKAAMN CCCCOc1ccc(-c2cc(C(=O)Nc3nnc(SCc4ccccc4Cl)s3)no2)cc1 ZINC000046086938 554320613 /nfs/dbraw/zinc/32/06/13/554320613.db2.gz SUEUXOJUXAZLFE-UHFFFAOYSA-N 0 1 501.033 6.570 50 0 KKAAMN O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4cccc5ccccc54)cc3[nH]2)cc1)c1cccc2ccccc21 ZINC000049766460 554325363 /nfs/dbraw/zinc/32/53/63/554325363.db2.gz ZLGFMNZMKCNDBU-UHFFFAOYSA-N 0 1 532.603 8.041 50 0 KKAAMN O=c1[nH]c(=O)n(-c2ccc(Cl)cc2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(c1ccc(Cl)cc1)N2 ZINC000053337077 554342056 /nfs/dbraw/zinc/34/20/56/554342056.db2.gz KDYRZABUKMFDOK-UHFFFAOYSA-N 0 1 523.220 5.025 50 0 KKAAMN CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2N2CCN(Cc3ccccc3)CC2)cc1Cl ZINC000057222794 554352673 /nfs/dbraw/zinc/35/26/73/554352673.db2.gz QDTZQDXZGGRZFH-UHFFFAOYSA-N 0 1 508.018 5.100 50 0 KKAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc(OC(C)C)cc2)c1 ZINC000057223017 554353049 /nfs/dbraw/zinc/35/30/49/554353049.db2.gz MEJDSFKPUDWPCE-UHFFFAOYSA-N 0 1 501.627 5.225 50 0 KKAAMN O=C(Nc1ccc(S(=O)(=O)Nc2nccc(/C=C/c3ccc(Cl)cc3)n2)cc1)c1ccc(Br)cc1 ZINC000100399040 554372276 /nfs/dbraw/zinc/37/22/76/554372276.db2.gz BXLGTAGJZSZDBT-XCVCLJGOSA-N 0 1 569.868 6.116 50 0 KKAAMN COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc(OCc3ccccc3)cc2)c1 ZINC000100405069 554373270 /nfs/dbraw/zinc/37/32/70/554373270.db2.gz MQEUXDMUSWNBBK-UHFFFAOYSA-N 0 1 535.644 5.627 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C)cc3)CC(=O)C2[C@@H]1c1ccccc1Cl ZINC000100426020 554387437 /nfs/dbraw/zinc/38/74/37/554387437.db2.gz ZWGCQRIPKHTBDR-HEIROHQZSA-N 0 1 513.081 8.779 50 0 KKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000100426457 554388451 /nfs/dbraw/zinc/38/84/51/554388451.db2.gz YHFFVCZMKGNOBK-BHNGRWRESA-N 0 1 620.702 7.594 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1O[C@@H](C)CC ZINC000100426575 554388726 /nfs/dbraw/zinc/38/87/26/554388726.db2.gz DHJWEZGWCLEEJH-VJGBLHKLSA-N 0 1 596.768 9.012 50 0 biogenic KKAAMN CC[C@H](C)Oc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccc(OC)c(OC)c3)CC2=O)Nc2ccccc2N1C(C)=O ZINC000100426563 554388756 /nfs/dbraw/zinc/38/87/56/554388756.db2.gz NDFQGAPAMMDGMJ-XWNKHFJGSA-N 0 1 540.660 7.451 50 0 biogenic KKAAMN COc1ccc([C@@H]2C3=C(C[C@@H](c4ccc(OC)c(OC)c4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000100429525 554390555 /nfs/dbraw/zinc/39/05/55/554390555.db2.gz RVIQRGRUYCGPCN-QCBOHVIISA-N 0 1 560.650 7.576 50 0 KKAAMN CCN1CCN(c2cc(C)c3cc(NC(=O)CCC(=O)Nc4ccc(Br)cc4C)ccc3n2)CC1 ZINC000059514702 554401558 /nfs/dbraw/zinc/40/15/58/554401558.db2.gz SANXVBNZPFXQOR-UHFFFAOYSA-N 0 1 538.490 5.113 50 0 KKAAMN COc1cc([C@@H]2c3c(n[nH]c3-c3cc(C)c(C)cc3O)C(=O)N2Cc2ccccc2)cc(Br)c1O ZINC000059626559 554414882 /nfs/dbraw/zinc/41/48/82/554414882.db2.gz JXJZAYVNKKOLAW-RUZDIDTESA-N 0 1 534.410 5.621 50 0 KKAAMN COc1cc([C@@H]2c3c(n[nH]c3-c3cc(C)c(C)cc3O)C(=O)N2Cc2ccco2)cc(Br)c1O ZINC000059626788 554415143 /nfs/dbraw/zinc/41/51/43/554415143.db2.gz BKITZIYPFPTEQF-HSZRJFAPSA-N 0 1 524.371 5.214 50 0 KKAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000100574988 554422740 /nfs/dbraw/zinc/42/27/40/554422740.db2.gz RNAHJLXPXFUPAG-NHCUHLMSSA-N 0 1 538.189 6.500 50 0 KKAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2ccc3c(c2)OCO3)cc1F ZINC000100578144 554424478 /nfs/dbraw/zinc/42/44/78/554424478.db2.gz QDFVZXHLNMUFOH-FCHUYYIVSA-N 0 1 582.198 6.229 50 0 KKAAMN Cc1ccc(Cl)cc1N1C(=O)C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@H]1c1ccc(F)cc1 ZINC000100584373 554426050 /nfs/dbraw/zinc/42/60/50/554426050.db2.gz CAEHMNZMHBHXPW-NHCUHLMSSA-N 0 1 572.634 7.154 50 0 KKAAMN Cc1ccc(Cl)cc1N1C(=O)C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@@H]1c1ccc(F)cc1 ZINC000100584368 554426116 /nfs/dbraw/zinc/42/61/16/554426116.db2.gz CAEHMNZMHBHXPW-SFTDATJTSA-N 0 1 572.634 7.154 50 0 KKAAMN COc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(F)c2)cc1OC ZINC000100585987 554426641 /nfs/dbraw/zinc/42/66/41/554426641.db2.gz AXHRWUZOZXMFDG-PKTZIBPZSA-N 0 1 598.241 6.518 50 0 KKAAMN CCc1ccc2c(c1)[C@]1(C(=O)N2)N2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000059785693 554430401 /nfs/dbraw/zinc/43/04/01/554430401.db2.gz DEXFPUZLJYSAEO-WEZPGDKASA-N 0 1 527.624 5.417 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000100750466 554466193 /nfs/dbraw/zinc/46/61/93/554466193.db2.gz ZVYPWJUQUIOWIS-GZGVDWRWSA-N 0 1 582.697 7.621 50 0 biogenic KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000100750463 554466217 /nfs/dbraw/zinc/46/62/17/554466217.db2.gz ZVYPWJUQUIOWIS-XDCSYDRFSA-N 0 1 582.697 7.621 50 0 biogenic KKAAMN CC(C)N1CCc2c(sc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)c2-c2nc3ccccc3s2)C1 ZINC000100818176 554478453 /nfs/dbraw/zinc/47/84/53/554478453.db2.gz CTEKIXLVBLENDR-UHFFFAOYSA-N 0 1 530.675 5.697 50 0 KKAAMN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CCN2CCCCC2)C(=O)c2ccc(Cl)cc2Cl)o1 ZINC000100883962 554508071 /nfs/dbraw/zinc/50/80/71/554508071.db2.gz JKBQFPRQAXWUPT-UHFFFAOYSA-N 0 1 556.534 6.094 50 0 KKAAMN COC(=O)c1ccc([C@@H]2C(S(=O)(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)cc1 ZINC000064558249 554512067 /nfs/dbraw/zinc/51/20/67/554512067.db2.gz RVYBYNKZYBISQF-XMMPIXPASA-N 0 1 505.592 5.236 50 0 KKAAMN COc1ccc2cc3cc(C(=O)NCC4CCN(Cc5ccccc5Cl)CC4)sc3nc2c1Cl ZINC000065330836 554526282 /nfs/dbraw/zinc/52/62/82/554526282.db2.gz WTLWTJCAJXZNKA-UHFFFAOYSA-N 0 1 514.478 6.407 50 0 KKAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Nc2nc(C)cc(N3CCCC3)n2)cc1 ZINC000100957738 554540640 /nfs/dbraw/zinc/54/06/40/554540640.db2.gz CWIOTKBSAGYXQK-UHFFFAOYSA-N 0 1 532.464 5.091 50 0 KKAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Nc2nc(C)cc(N(CC)CC)n2)cc1 ZINC000100957861 554540892 /nfs/dbraw/zinc/54/08/92/554540892.db2.gz ICWSBBDQAPMJHN-UHFFFAOYSA-N 0 1 534.480 5.337 50 0 KKAAMN Cc1ccc(C2=CSC3=NC4=C(CN(C)C/C4=C\c4ccc(Cl)cc4)[C@@H](c4ccc(Cl)cc4)N23)cc1 ZINC000100987436 554548631 /nfs/dbraw/zinc/54/86/31/554548631.db2.gz JMFMRYMHVVWDKJ-TYDKCCNCSA-N 0 1 530.524 8.043 50 0 KKAAMN CC(C)(C)C(=O)[C@@H]1[C@@H](C(=O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000101064383 554571433 /nfs/dbraw/zinc/57/14/33/554571433.db2.gz CHJHJUPTLFDOAO-SQRAXXTESA-N 0 1 555.472 6.038 50 0 KKAAMN Cc1ccc2c(c1C)NC(=O)[C@@]21N2CCC[C@@H]2[C@@H](C(=O)c2ccc(Br)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000101064457 554571672 /nfs/dbraw/zinc/57/16/72/554571672.db2.gz DSFLXWSYLKLABO-GCDSYTDFSA-N 0 1 556.460 5.081 50 0 KKAAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=S)Nc3ccccc3)[C@H]2c2ccc(Br)cc2)C1 ZINC000101071525 554575689 /nfs/dbraw/zinc/57/56/89/554575689.db2.gz PJLOTOJIPNQRGJ-SANMLTNESA-N 0 1 532.507 8.112 50 0 KKAAMN CC(C)(C)c1ccc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000101075937 554577436 /nfs/dbraw/zinc/57/74/36/554577436.db2.gz POKKWNDGYCCNNY-SMIHKQSGSA-N 0 1 505.412 5.798 50 0 KKAAMN CC(C)(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000101075937 554577437 /nfs/dbraw/zinc/57/74/37/554577437.db2.gz POKKWNDGYCCNNY-SMIHKQSGSA-N 0 1 505.412 5.798 50 0 KKAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCCN(C(=O)c2cccc(Br)c2)CC1 ZINC000101098462 554585517 /nfs/dbraw/zinc/58/55/17/554585517.db2.gz CIHIKSQWZCLWSS-IDISGSTGSA-N 0 1 566.565 5.530 50 0 KKAAMN COc1cc([C@@H]2C3=C(C[C@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(C)=O)cc(OC)c1OC ZINC000101100451 554587466 /nfs/dbraw/zinc/58/74/66/554587466.db2.gz VHMNAMFQQZFDIU-GHRAFVERSA-N 0 1 554.687 7.580 50 0 KKAAMN CCOc1ccc([C@@H]2N[C@H](c3ccc(OCC)cc3)C3C(=O)C2[C@H](c2ccc(OCC)cc2)N[C@@H]3c2ccc(OCC)cc2)cc1 ZINC000101104895 554639882 /nfs/dbraw/zinc/63/98/82/554639882.db2.gz KEVVQDVLUNYZPF-CLBVNFDJSA-N 0 1 620.790 7.554 50 0 KKAAMN COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000101115215 554642804 /nfs/dbraw/zinc/64/28/04/554642804.db2.gz AEFDWUVQUGACEF-NLDZOOGBSA-N 0 1 534.568 5.274 50 0 KKAAMN COc1ccc([C@@H]2N[C@H](c3ccc(OC)cc3)C3C(=O)C2[C@H](c2ccc(OC)cc2)N[C@@H]3c2ccc(OC)cc2)cc1 ZINC000101118645 554643618 /nfs/dbraw/zinc/64/36/18/554643618.db2.gz SJYGOTYPICEFKJ-LLSWJAHXSA-N 0 1 564.682 5.994 50 0 KKAAMN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(CC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000101160434 554659588 /nfs/dbraw/zinc/65/95/88/554659588.db2.gz ZHNFUFCFIZKELK-FCEKVYKBSA-N 0 1 500.595 5.488 50 0 KKAAMN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000101171152 554661754 /nfs/dbraw/zinc/66/17/54/554661754.db2.gz KXJMVBKSEQZRNO-FCEKVYKBSA-N 0 1 500.595 5.624 50 0 KKAAMN COc1ccccc1Nc1c2cc(NC(=O)Cc3cccc(C(F)(F)F)c3)ccc2nc2c1CCCC2 ZINC000101193501 554671622 /nfs/dbraw/zinc/67/16/22/554671622.db2.gz OKDDMNBVWZZHTP-UHFFFAOYSA-N 0 1 505.540 7.066 50 0 KKAAMN CSc1cccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCCN3CCN(c4cccc(Cl)c4)CC3)C2=S)c1 ZINC000101216277 554683222 /nfs/dbraw/zinc/68/32/22/554683222.db2.gz BJCMEXIXRUNJSQ-MUUNZHRXSA-N 0 1 626.223 5.744 50 0 KKAAMN COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCCN3CCN(c4cccc(Cl)c4)CC3)C2=S)cc1 ZINC000101216564 554684037 /nfs/dbraw/zinc/68/40/37/554684037.db2.gz DHIUETCIWRHBJC-NDEPHWFRSA-N 0 1 626.610 5.545 50 0 KKAAMN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000101252402 554694245 /nfs/dbraw/zinc/69/42/45/554694245.db2.gz PFQZZQCRQNQZAQ-NLDZOOGBSA-N 0 1 514.622 5.932 50 0 KKAAMN O=C(c1ccco1)[C@H]1[C@@H](C(=O)c2cccs2)N2c3ccc(Cl)cc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000101341961 554735954 /nfs/dbraw/zinc/73/59/54/554735954.db2.gz QOVJHQZGOYEURW-GBXYDCMPSA-N 0 1 527.001 5.851 50 0 KKAAMN O=C(c1ccco1)C1[C@@H](C(=O)c2cccs2)N2c3ccc(Cl)cc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000101341961 554735955 /nfs/dbraw/zinc/73/59/55/554735955.db2.gz QOVJHQZGOYEURW-GBXYDCMPSA-N 0 1 527.001 5.851 50 0 KKAAMN Cc1ccc(Cl)cc1N1CCN(CCCNc2nc3ccc(C(=O)c4ccccc4)cc3n3cnnc23)CC1 ZINC000101357796 554740907 /nfs/dbraw/zinc/74/09/07/554740907.db2.gz ZXAHEEJSRXFQBT-UHFFFAOYSA-N 0 1 540.071 5.095 50 0 KKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=C(C)c3cc(C)ccc3N12 ZINC000101361529 554743048 /nfs/dbraw/zinc/74/30/48/554743048.db2.gz QBGDQVKNLNEOMM-LSMVNSQTSA-N 0 1 541.445 5.710 50 0 KKAAMN CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccc(C(=O)NCCCN3CCN(c4ccc(F)cc4)CC3)cc21 ZINC000101374465 554746177 /nfs/dbraw/zinc/74/61/77/554746177.db2.gz OZGWOPNKYSVPSZ-USHMODERSA-N 0 1 598.666 5.896 50 0 KKAAMN CN(CCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)CCN1C(=O)S/C(=C/c2ccc(C(C)(C)C)cc2)C1=O ZINC000101381609 554748520 /nfs/dbraw/zinc/74/85/20/554748520.db2.gz CHJATMATCZOTDK-GJHDBBOXSA-N 0 1 584.163 6.342 50 0 KKAAMN COc1ccc(-c2[nH]c(-c3ccc(OC)c(OC)c3)nc2SCC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000101384564 554749004 /nfs/dbraw/zinc/74/90/04/554749004.db2.gz SJPXDCAAGLIQNJ-UHFFFAOYSA-N 0 1 533.606 5.272 50 0 KKAAMN CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4cc(C(F)(F)F)ccc4N4CC[N@@H+](Cc5ccccc5)C[C@@H]43)C2=O)cc1 ZINC000101391601 554755009 /nfs/dbraw/zinc/75/50/09/554755009.db2.gz XOOCRHPVAVPKRB-GRKNLSHJSA-N 0 1 576.619 5.538 50 0 KKAAMN CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4cc(C(F)(F)F)ccc4N4CCN(Cc5ccccc5)C[C@@H]43)C2=O)cc1 ZINC000101391601 554755013 /nfs/dbraw/zinc/75/50/13/554755013.db2.gz XOOCRHPVAVPKRB-GRKNLSHJSA-N 0 1 576.619 5.538 50 0 KKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101424163 554768009 /nfs/dbraw/zinc/76/80/09/554768009.db2.gz UVFGIVLTUNCJCO-WRHNGFHOSA-N 0 1 582.575 6.833 50 0 KKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(C(=O)OC)cc1 ZINC000101428878 554769429 /nfs/dbraw/zinc/76/94/29/554769429.db2.gz ZKHYVCALIVDVKA-SMSORMJASA-N 0 1 510.590 6.442 50 0 KKAAMN COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccc(OC)c(OC)c4)CC3=O)Nc3ccccc3N2C(C)=O)cc1 ZINC000101443273 554773603 /nfs/dbraw/zinc/77/36/03/554773603.db2.gz OSZYHWAHVAQBIZ-CHJDUVSTSA-N 0 1 526.589 6.060 50 0 KKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)Cc2ccccc2)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101468912 554781414 /nfs/dbraw/zinc/78/14/14/554781414.db2.gz OQBGXHBVCMGNAE-CZTRJMPPSA-N 0 1 604.703 7.514 50 0 KKAAMN O=C(c1cccs1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000101485272 554785305 /nfs/dbraw/zinc/78/53/05/554785305.db2.gz JHRXHNLCEDNISS-OLILMLBXSA-N 0 1 529.036 8.405 50 0 KKAAMN COc1cc([C@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc(OC)c1OC ZINC000101501372 554788378 /nfs/dbraw/zinc/78/83/78/554788378.db2.gz NKUJGAYBQCABSG-BGOLNKOXSA-N 0 1 550.611 7.169 50 0 KKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccc(Cl)cc2)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101502494 554789025 /nfs/dbraw/zinc/78/90/25/554789025.db2.gz RPOLTNQYYAIFAE-NHOCJEJCSA-N 0 1 625.121 8.238 50 0 KKAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)[C@@H]3c4ccccc4C(=O)N(CC(C)C)[C@H]3c3cccs3)CC2)c1 ZINC000101617919 554806439 /nfs/dbraw/zinc/80/64/39/554806439.db2.gz SYXQMQSCOLPHNI-JSOSNVBQSA-N 0 1 558.792 5.630 50 0 KKAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)[C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3cccs3)CC2)c1 ZINC000101618676 554806935 /nfs/dbraw/zinc/80/69/35/554806935.db2.gz FXZDDLBXFPVEOS-ZWXJPIIXSA-N 0 1 570.803 5.917 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@@H](C(=O)c3ccc(OC)cc3)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000101669856 554823286 /nfs/dbraw/zinc/82/32/86/554823286.db2.gz LNTCLMHEGZCQOO-QVJCSHTLSA-N 0 1 582.700 6.894 50 0 KKAAMN COc1ccccc1-c1nc2c3c(ncn2n1)Oc1c(c(C)nn1-c1cccc(Cl)c1)C3c1ccccc1OC ZINC000101673311 554826940 /nfs/dbraw/zinc/82/69/40/554826940.db2.gz XYVWSFADKRUAMG-VWLOTQADSA-N 0 1 551.006 6.242 50 0 KKAAMN O=C(CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000101686897 554829677 /nfs/dbraw/zinc/82/96/77/554829677.db2.gz SIGJXRPSEANONV-USHMODERSA-N 0 1 615.121 6.167 50 0 KKAAMN O=C(CN1C(=O)/C(=C/c2ccc(Cl)cc2)Sc2ccccc21)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000101688592 554830288 /nfs/dbraw/zinc/83/02/88/554830288.db2.gz QZJMSEQKVZAERF-USHMODERSA-N 0 1 581.569 5.802 50 0 KKAAMN CC[C@@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000101865852 554845122 /nfs/dbraw/zinc/84/51/22/554845122.db2.gz WVVWSVHYKLDFFH-HSZRJFAPSA-N 0 1 563.743 5.604 50 0 KKAAMN Cc1nn(C)c(C)c1[C@@H](C)N(C)C(=O)COc1ccc(-c2cccs2)cc1CN1CCN(c2cccc(C)c2C)CC1 ZINC000101908868 554849172 /nfs/dbraw/zinc/84/91/72/554849172.db2.gz GFPAKUSUQRRQRS-AREMUKBSSA-N 0 1 585.818 6.303 50 0 KKAAMN COc1ccccc1N1CCN(CCCNC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)[C@H]2c2cccs2)CC1 ZINC000101979757 554863596 /nfs/dbraw/zinc/86/35/96/554863596.db2.gz ZNOOPHULBMEETJ-CONSDPRKSA-N 0 1 572.775 5.309 50 0 KKAAMN CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2c(Br)cc(Br)c([O-])c2Br)N3)C1 ZINC000102095770 554879207 /nfs/dbraw/zinc/87/92/07/554879207.db2.gz SASUUZDMJOKUPT-MRXNPFEDSA-N 0 1 580.140 5.937 50 0 KKAAMN CC(C)CN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1cccc(Cl)c1 ZINC000102102934 554882069 /nfs/dbraw/zinc/88/20/69/554882069.db2.gz WFTSUUYZMALHMX-UHFFFAOYSA-N 0 1 556.965 7.858 50 0 KKAAMN CC(C)Cc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccc(Cl)cc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102191203 554894287 /nfs/dbraw/zinc/89/42/87/554894287.db2.gz MPWDKUJVRNPSBG-JVNOLKNPSA-N 0 1 587.119 7.395 50 0 KKAAMN Nc1cccc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)c1 ZINC000102230540 554899917 /nfs/dbraw/zinc/89/99/17/554899917.db2.gz ZPZXQQWVSAQTSS-UHFFFAOYSA-N 0 1 531.615 5.056 50 0 KKAAMN CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000102233549 554900736 /nfs/dbraw/zinc/90/07/36/554900736.db2.gz JUSWLIKBXDJJLE-UHFFFAOYSA-N 0 1 577.030 6.577 50 0 KKAAMN COc1ccc(Cl)cc1NC(=O)CSC1=NC2(CCN(C)CC2)N=C1c1ccc(Br)cc1 ZINC000102243920 554903317 /nfs/dbraw/zinc/90/33/17/554903317.db2.gz LMSNFGRKOFRCMV-UHFFFAOYSA-N 0 1 535.895 5.106 50 0 KKAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000102254104 554904266 /nfs/dbraw/zinc/90/42/66/554904266.db2.gz RGYKOMQVFFEZHE-CCLHPLFOSA-N 0 1 556.559 6.074 50 0 KKAAMN COc1ccc(C2=NN(C(=O)CSc3nc(-c4ccc(Br)cc4)n[nH]3)[C@@H](c3ccco3)C2)cc1 ZINC000102320739 554912078 /nfs/dbraw/zinc/91/20/78/554912078.db2.gz WAXPNADGAYTCHE-HXUWFJFHSA-N 0 1 538.427 5.306 50 0 KKAAMN CCCCCOc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000102429954 554926836 /nfs/dbraw/zinc/92/68/36/554926836.db2.gz FJZQUGVOOLIBQS-RUZDIDTESA-N 0 1 500.561 7.610 50 0 KKAAMN FC(F)Oc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2OC32CCN(Cc3ccccc3)CC2)cc1 ZINC000102467957 554935911 /nfs/dbraw/zinc/93/59/11/554935911.db2.gz AKTRUFFRYKLPSC-VWLOTQADSA-N 0 1 554.435 6.586 50 0 KKAAMN COc1ccc(C2=NN(C(=O)CN3CCC(Cc4ccccc4)CC3)[C@H](c3ccc(OC)cc3OC)C2)c(OC)c1 ZINC000102602002 554977962 /nfs/dbraw/zinc/97/79/62/554977962.db2.gz UULKQYNYICGLSP-PMERELPUSA-N 0 1 557.691 5.353 50 0 KKAAMN CCCCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)[nH]c2=O)cc1 ZINC000102606494 554979608 /nfs/dbraw/zinc/97/96/08/554979608.db2.gz YQFWKSOHIUXXDQ-UHFFFAOYSA-N 0 1 549.674 5.468 50 0 KKAAMN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2NC(=O)N=C(C)C2C(=O)OCc2ccccc2)c(C)c1 ZINC000102621022 554986876 /nfs/dbraw/zinc/98/68/76/554986876.db2.gz SXSDPCVOIIGKOM-WJOKGBTCSA-N 0 1 550.659 6.398 50 0 KKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N(C(=O)C(F)(F)F)[C@@H]3c2cccs2)cc1 ZINC000102646023 554992170 /nfs/dbraw/zinc/99/21/70/554992170.db2.gz RSRBSWYINYTNAS-CRICUBBOSA-N 0 1 512.553 7.178 50 0 KKAAMN O=C(c1cccs1)N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C2[C@H]1c1ccccc1Cl ZINC000102646720 554992818 /nfs/dbraw/zinc/99/28/18/554992818.db2.gz BXSHOCVHOLGOSP-SONOPUAISA-N 0 1 529.036 8.405 50 0 KKAAMN O=C(c1cccs1)N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C2[C@@H]1c1ccccc1Cl ZINC000102646727 554992860 /nfs/dbraw/zinc/99/28/60/554992860.db2.gz BXSHOCVHOLGOSP-SLQAJWMNSA-N 0 1 529.036 8.405 50 0 KKAAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)Cc3ccccc3)[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000102648114 554993750 /nfs/dbraw/zinc/99/37/50/554993750.db2.gz ZYVCZVYNSCMUEN-NDEPHWFRSA-N 0 1 504.552 7.741 50 0 KKAAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)C(F)(F)F)[C@@H]2c2ccccc2OCc2ccccc2)C1 ZINC000102648485 554994044 /nfs/dbraw/zinc/99/40/44/554994044.db2.gz XRXLTHZVNZRBRU-HHHXNRCGSA-N 0 1 520.551 7.620 50 0 KKAAMN O=C(CN(CCN1CCCC1)C(=O)c1cccc(Br)c1)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1 ZINC000102679325 555005006 /nfs/dbraw/zinc/00/50/06/555005006.db2.gz BXUKCSDKIHKLPZ-SANMLTNESA-N 0 1 600.554 5.393 50 0 KKAAMN O=C(CSc1nc2c3ccccc3sc2c(=O)n1C1CCN(Cc2ccccc2)CC1)NC1CCCC1 ZINC000102728259 555022582 /nfs/dbraw/zinc/02/25/82/555022582.db2.gz ORQAOAQDWPIGMF-UHFFFAOYSA-N 0 1 532.735 5.599 50 0 KKAAMN CCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(OCC)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000102741760 555030565 /nfs/dbraw/zinc/03/05/65/555030565.db2.gz GBNWYUGARAOTQC-JCYYIGJDSA-N 0 1 516.594 5.324 50 0 KKAAMN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OCC)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC ZINC000102741760 555030569 /nfs/dbraw/zinc/03/05/69/555030569.db2.gz GBNWYUGARAOTQC-JCYYIGJDSA-N 0 1 516.594 5.324 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1OC ZINC000102750305 555044050 /nfs/dbraw/zinc/04/40/50/555044050.db2.gz JMXJJWRHEJZENI-TWJOJJKGSA-N 0 1 506.986 5.579 50 0 KKAAMN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC ZINC000102757705 555050258 /nfs/dbraw/zinc/05/02/58/555050258.db2.gz KXJMVBKSEQZRNO-JCYYIGJDSA-N 0 1 500.595 5.624 50 0 KKAAMN Cc1ccc(NS(=O)(=O)c2cc3c([nH]c4c3C(=O)CC(C)(C)C4)c(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1 ZINC000102783728 555066864 /nfs/dbraw/zinc/06/68/64/555066864.db2.gz VHAKOETVURUOIB-UHFFFAOYSA-N 0 1 551.690 5.541 50 0 KKAAMN Cc1ccccc1CN1c2ccccc2S/C(=C/c2ccc(C(=O)NCCN3CCN(Cc4ccccc4)CC3)cc2)C1=O ZINC000102787451 555068010 /nfs/dbraw/zinc/06/80/10/555068010.db2.gz GOYRJIYVMNQWSX-KVQDIILNSA-N 0 1 602.804 6.223 50 0 KKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000102788902 555068508 /nfs/dbraw/zinc/06/85/08/555068508.db2.gz UUWOPTGXMFQEMQ-UVDDSOTQSA-N 0 1 546.633 8.963 50 0 KKAAMN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc21 ZINC000102793334 555070978 /nfs/dbraw/zinc/07/09/78/555070978.db2.gz PQEGILUPMJBZSC-UHFFFAOYSA-N 0 1 545.299 5.587 50 0 KKAAMN COc1ccc(-c2cccc(-c3nc(CN4CCC[C@H](CCc5ccc(C(C)(C)C)cc5)C4)cs3)c2)c(OC)c1OC ZINC000102830536 555078414 /nfs/dbraw/zinc/07/84/14/555078414.db2.gz UKRVWVTXEJBPTJ-AREMUKBSSA-N 0 1 584.826 8.645 50 0 KKAAMN Cc1ccsc1CN(Cc1ccc(F)cc1)C(=O)CN(CCN1CCCC1)C(=O)CSc1ccccc1 ZINC000102838401 555080413 /nfs/dbraw/zinc/08/04/13/555080413.db2.gz UXCMTBVUCNMDJU-UHFFFAOYSA-N 0 1 539.742 5.441 50 0 KKAAMN C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000102843905 555084091 /nfs/dbraw/zinc/08/40/91/555084091.db2.gz NYUDNNDZEZYLFM-CLYVBNDRSA-N 0 1 560.522 5.905 50 0 KKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(C)C)[C@H]3c2cccs2)cc1OC ZINC000102863680 555093481 /nfs/dbraw/zinc/09/34/81/555093481.db2.gz VXDOWZPEHXSOJZ-GDJIYFAZSA-N 0 1 502.636 6.971 50 0 KKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(C)C)[C@@H]3c2cccs2)cc1OC ZINC000102863683 555093585 /nfs/dbraw/zinc/09/35/85/555093585.db2.gz VXDOWZPEHXSOJZ-HMILPKGGSA-N 0 1 502.636 6.971 50 0 KKAAMN O=C(N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C2[C@@H]1c1ccccc1Cl)C(F)(F)F ZINC000102878836 555108121 /nfs/dbraw/zinc/10/81/21/555108121.db2.gz WVFMTSZUSAGCOL-CPJLOUKISA-N 0 1 514.906 7.592 50 0 KKAAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)c3ccccc3)[C@H]2c2cccc(OCc3ccccc3)c2)C1 ZINC000102879066 555108156 /nfs/dbraw/zinc/10/81/56/555108156.db2.gz FUBAIOYRDOAKIR-XIFFEERXSA-N 0 1 528.652 8.372 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccc(F)c1 ZINC000102882585 555110657 /nfs/dbraw/zinc/11/06/57/555110657.db2.gz KAWNRLDCAWYLRS-UDNBHOFDSA-N 0 1 512.625 7.965 50 0 KKAAMN COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000102883587 555112102 /nfs/dbraw/zinc/11/21/02/555112102.db2.gz TWMUDXNVQVFUQP-NHKHRBQYSA-N 0 1 552.558 5.413 50 0 KKAAMN CCCCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102887339 555118936 /nfs/dbraw/zinc/11/89/36/555118936.db2.gz VOSGPGIOPHVDAV-RKVFUFCESA-N 0 1 581.156 7.661 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000102891813 555127849 /nfs/dbraw/zinc/12/78/49/555127849.db2.gz DMRFTMFYUPUYNI-IARZGTGTSA-N 0 1 554.986 5.619 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000102893969 555132045 /nfs/dbraw/zinc/13/20/45/555132045.db2.gz DCSMQSUQPJLMAR-IARZGTGTSA-N 0 1 607.421 6.411 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000102895099 555133809 /nfs/dbraw/zinc/13/38/09/555133809.db2.gz CNPGAFNPLJVXDW-UIUKDCGCSA-N 0 1 575.064 6.595 50 0 KKAAMN CCN(CC)c1ccc(Nc2nc(-c3cccs3)nc3ccccc32)cc1S(=O)(=O)Nc1ccccc1OC ZINC000102918831 555144554 /nfs/dbraw/zinc/14/45/54/555144554.db2.gz VLACOKSUUHBIRR-UHFFFAOYSA-N 0 1 559.717 6.758 50 0 KKAAMN Cc1cc(C(=O)Oc2ccc([C@@H]3c4c(O)n(-c5ccc(Cl)c(Cl)c5)c(O)c4ON3c3ccccc3)cc2)n(C)n1 ZINC000102928771 555154482 /nfs/dbraw/zinc/15/44/82/555154482.db2.gz PCLIYQSQRUVLBO-CYXNTTPDSA-N 0 1 577.424 5.306 50 0 KKAAMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=S)NC(=O)c3ccc(Oc4ccccc4)cc3)ccc2OC)cc1 ZINC000102929845 555156145 /nfs/dbraw/zinc/15/61/45/555156145.db2.gz PRVLCVJALMDJKH-UHFFFAOYSA-N 0 1 577.684 5.814 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000102931170 555158580 /nfs/dbraw/zinc/15/85/80/555158580.db2.gz OIRWBXMOGKGXBN-IARZGTGTSA-N 0 1 599.437 5.728 50 0 KKAAMN Ic1ccc(N=[P@@](c2ccccc2)([C@@H]2CCCC=C2N2CCOCC2)N2CCOCC2)cc1 ZINC000102945690 555171688 /nfs/dbraw/zinc/17/16/88/555171688.db2.gz HPCVIMORDGQJLI-UTONBFNKSA-N 0 1 577.447 5.465 50 0 KKAAMN COCCC[N@@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccc(OC)c(OC)c1 ZINC000102953151 555173261 /nfs/dbraw/zinc/17/32/61/555173261.db2.gz YXEIYUQEXLYKMY-UHFFFAOYSA-N 0 1 537.603 5.898 50 0 KKAAMN COCCCN(Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccc(OC)c(OC)c1 ZINC000102953151 555173262 /nfs/dbraw/zinc/17/32/62/555173262.db2.gz YXEIYUQEXLYKMY-UHFFFAOYSA-N 0 1 537.603 5.898 50 0 KKAAMN O=C(c1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(Cl)cc1Cl)N1CCC(Cc2ccccc2)CC1 ZINC000102956885 555174177 /nfs/dbraw/zinc/17/41/77/555174177.db2.gz PUFYHWBWIPPAFU-UHFFFAOYSA-N 0 1 537.896 6.543 50 0 KKAAMN COc1ccc(NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000102993927 555193702 /nfs/dbraw/zinc/19/37/02/555193702.db2.gz ZHRUOVOPKFNPKL-HSZRJFAPSA-N 0 1 548.036 5.072 50 0 KKAAMN COc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000102993977 555193973 /nfs/dbraw/zinc/19/39/73/555193973.db2.gz VFQBMHQAGPIOIE-UHFFFAOYSA-N 0 1 587.325 7.093 50 0 KKAAMN O=C(CNC(=O)c1sc2ccccc2c1Cl)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000102998797 555198058 /nfs/dbraw/zinc/19/80/58/555198058.db2.gz HTSBBKFIFVDAJA-UHFFFAOYSA-N 0 1 568.891 6.031 50 0 KKAAMN CC(C)C[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccccc3F)C2=O)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 ZINC000103002143 555201730 /nfs/dbraw/zinc/20/17/30/555201730.db2.gz CTAJWSNPWCGOIY-OWLPFRGLSA-N 0 1 532.015 5.045 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)ccc1C ZINC000103012643 555207460 /nfs/dbraw/zinc/20/74/60/555207460.db2.gz NLAKNLXFFJBRFG-UHFFFAOYSA-N 0 1 573.074 6.563 50 0 KKAAMN Cc1ccc([C@@H]2c3c(O)n(-c4cccc(C(F)(F)F)c4)c(O)c3ON2c2cccc(Br)c2)cc1 ZINC000103025135 555215522 /nfs/dbraw/zinc/21/55/22/555215522.db2.gz UBUGFDQTDHKARO-YPAWHYETSA-N 0 1 531.328 5.827 50 0 KKAAMN Cc1ccc([C@@H]2c3c(O)n(-c4ccc(C)c(Cl)c4)c(O)c3ON2c2cccc(Br)c2)cc1 ZINC000103025140 555215530 /nfs/dbraw/zinc/21/55/30/555215530.db2.gz YSNVCRQLJRUZRP-YTFSRNRJSA-N 0 1 511.803 5.770 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccccc2Br)ccc1N1CCCC1 ZINC000103049576 555231524 /nfs/dbraw/zinc/23/15/24/555231524.db2.gz MYCWEJZSYFJOIY-UHFFFAOYSA-N 0 1 530.444 5.111 50 0 KKAAMN CCOCCOc1nc(-c2ccc(F)cc2)n(-c2ccc(NS(=O)(=O)c3cc(Br)ccc3OC)cc2)n1 ZINC000103065772 555246324 /nfs/dbraw/zinc/24/63/24/555246324.db2.gz RQPKEUNBSPMZNP-UHFFFAOYSA-N 0 1 591.459 5.061 50 0 KKAAMN CCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1cccc(C(F)(F)F)c1 ZINC000103072347 555252231 /nfs/dbraw/zinc/25/22/31/555252231.db2.gz ISZLJUAQHPEGED-UHFFFAOYSA-N 0 1 590.517 8.367 50 0 KKAAMN CSc1ccc(NC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)c(C(=O)NC3CCCCC3)c2)cc1 ZINC000103113292 555286367 /nfs/dbraw/zinc/28/63/67/555286367.db2.gz PEFZVRAADOGMRW-UHFFFAOYSA-N 0 1 557.764 6.437 50 0 KKAAMN CC(C)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COCc1ccccc1 ZINC000103204604 555338771 /nfs/dbraw/zinc/33/87/71/555338771.db2.gz GNVYSLWFVCJBOJ-YTTGMZPUSA-N 0 1 569.790 6.325 50 0 KKAAMN CCCOc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)CC)[C@@H]2c1ccc(OC)cc1 ZINC000103313144 555358353 /nfs/dbraw/zinc/35/83/53/555358353.db2.gz CHHMUAGNGFKZSO-GHRAFVERSA-N 0 1 510.634 7.444 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@H](C(=O)c3ccc(Br)cc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103332686 555359642 /nfs/dbraw/zinc/35/96/42/555359642.db2.gz HJLKJDMBLZZHSI-CUTZTJRCSA-N 0 1 617.543 7.258 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103332854 555359919 /nfs/dbraw/zinc/35/99/19/555359919.db2.gz NMKBECSUGZNALP-CDACFMRSSA-N 0 1 544.676 6.557 50 0 KKAAMN COCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1 ZINC000103439031 555418854 /nfs/dbraw/zinc/41/88/54/555418854.db2.gz PLGGPWWWHDZTFT-UHFFFAOYSA-N 0 1 538.519 6.585 50 0 KKAAMN O=C(c1cccs1)[C@@H]1C(=C(O)c2ccc(Cl)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000103529928 555430393 /nfs/dbraw/zinc/43/03/93/555430393.db2.gz MOGNANHQJGBVJZ-MFUXGYHDSA-N 0 1 537.040 6.258 50 0 KKAAMN FC(F)Oc1ccccc1C1=NN2[C@H](C1)c1cc(Br)ccc1OC21CCN(Cc2ccccc2)CC1 ZINC000103623434 555457054 /nfs/dbraw/zinc/45/70/54/555457054.db2.gz GWNGXBUPMMDDPN-XMMPIXPASA-N 0 1 554.435 6.586 50 0 KKAAMN Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2C(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000169341604 562860833 /nfs/dbraw/zinc/86/08/33/562860833.db2.gz QZUGMNXETPARLI-UHFFFAOYSA-N 0 1 517.554 6.190 50 0 KKAAMN Cc1cccc2c1NC(=O)[C@@]21[N@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000248331722 562881617 /nfs/dbraw/zinc/88/16/17/562881617.db2.gz HTVNOZMEKLYJJG-WMKRSEKRSA-N 0 1 513.597 5.163 50 0 KKAAMN Cc1cccc2c1NC(=O)[C@@]21N2CCC[C@@H]2[C@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000248331722 562881618 /nfs/dbraw/zinc/88/16/18/562881618.db2.gz HTVNOZMEKLYJJG-WMKRSEKRSA-N 0 1 513.597 5.163 50 0 KKAAMN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C=Cc4ccccc4)[C@@H]3c3ccco3)C2)cc1 ZINC000103984422 571370807 /nfs/dbraw/zinc/37/08/07/571370807.db2.gz CKCPWWSSPNWQFS-SGRBUWMRSA-N 0 1 500.598 7.852 50 0 KKAAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]2c2ccc(F)cc2)C1 ZINC000104076089 571372302 /nfs/dbraw/zinc/37/23/02/571372302.db2.gz GTFXQBYCBXRTSH-SANMLTNESA-N 0 1 524.423 8.631 50 0 KKAAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)Cc3ccc(Cl)cc3)[C@H]2c2ccc3c(c2)OCO3)C1 ZINC000104152819 571375565 /nfs/dbraw/zinc/37/55/65/571375565.db2.gz NYZWIOMNNLUHIQ-LJAQVGFWSA-N 0 1 515.009 7.104 50 0 KKAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCCN(C(=O)c2cccc(Br)c2)CC1 ZINC000105060434 571390716 /nfs/dbraw/zinc/39/07/16/571390716.db2.gz CIHIKSQWZCLWSS-ZBLYBZFDSA-N 0 1 566.565 5.530 50 0 KKAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCCN(C(=O)CCC2CCCC2)CC1 ZINC000105060411 571390790 /nfs/dbraw/zinc/39/07/90/571390790.db2.gz MNYODBKMFQHKQZ-BTYSJIOQSA-N 0 1 507.744 5.424 50 0 KKAAMN C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)Nc1cccc(Cl)c1Cl ZINC000105060487 571390847 /nfs/dbraw/zinc/39/08/47/571390847.db2.gz FWZPRJIMSLCVPB-DNOBIOAJSA-N 0 1 575.537 6.296 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000106014646 571410347 /nfs/dbraw/zinc/41/03/47/571410347.db2.gz DEWWSCGSCXXTIC-JCYYIGJDSA-N 0 1 589.431 6.272 50 0 KKAAMN CCOc1cc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000106017653 571410558 /nfs/dbraw/zinc/41/05/58/571410558.db2.gz FUWAYZYFEKSGHJ-IDZRBWSNSA-N 0 1 589.475 7.022 50 0 KKAAMN O=C(c1cccs1)[C@@H]1C(=C(O)c2ccc(Br)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000106020989 571410831 /nfs/dbraw/zinc/41/08/31/571410831.db2.gz OUGHCFNSUKARNM-BYBRNZAOSA-N 0 1 581.491 6.367 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000106020339 571410879 /nfs/dbraw/zinc/41/08/79/571410879.db2.gz MERBINIMWJKIGN-JCYYIGJDSA-N 0 1 572.976 5.758 50 0 KKAAMN O=C1C2=C(C(c3ccccc3)=NCCN2)[C@H](c2ccc(Br)cc2)N1c1cccc(C(F)(F)F)c1 ZINC000106419860 571412449 /nfs/dbraw/zinc/41/24/49/571412449.db2.gz KSLGMIVDLDZALJ-DEOSSOPVSA-N 0 1 526.356 5.902 50 0 KKAAMN Cc1c2c(c(C)c(C)c1S(=O)(=O)NC(=[NH2+])NCCC[C@H](CC(=O)[O-])NC(=O)OCC1c3ccccc3-c3ccccc31)OC(C)(C)C2 ZINC000150343976 571459157 /nfs/dbraw/zinc/45/91/57/571459157.db2.gz SPUZTADXOCHTJW-HSZRJFAPSA-N 0 1 662.809 5.290 50 0 KKAAMN COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCCN3CCN(Cc4ccccc4)CC3)C2=S)cc1Cl ZINC000150396137 571476218 /nfs/dbraw/zinc/47/62/18/571476218.db2.gz GRHGIWBEULFGSU-MUUNZHRXSA-N 0 1 640.637 5.541 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000150396103 571476257 /nfs/dbraw/zinc/47/62/57/571476257.db2.gz HWAWYDAEOFZDMI-WJOKGBTCSA-N 0 1 664.272 5.676 50 0 KKAAMN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCCN3CCN(c4cccc(Cl)c4)CC3)C2=S)cc1 ZINC000150396367 571476504 /nfs/dbraw/zinc/47/65/04/571476504.db2.gz TXZUBJCYGZJXDA-LJAQVGFWSA-N 0 1 652.192 5.199 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000150396508 571476604 /nfs/dbraw/zinc/47/66/04/571476604.db2.gz KJHCZVNSRWMCSC-HKBQPEDESA-N 0 1 668.691 6.321 50 0 KKAAMN O=C(C[C@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)C(=S)N1CCCN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Cl)cc1 ZINC000150396523 571476625 /nfs/dbraw/zinc/47/66/25/571476625.db2.gz RIKAKCAUSMEISA-MHZLTWQESA-N 0 1 665.474 6.843 50 0 KKAAMN O=C(C[C@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)C(=S)N1CCCN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(F)cc1 ZINC000150396518 571476645 /nfs/dbraw/zinc/47/66/45/571476645.db2.gz RSASTBQSEVOFEW-MHZLTWQESA-N 0 1 649.019 6.329 50 0 KKAAMN COc1ccc(Br)cc1[C@@H]1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)C(=O)N1c1ccc(Cl)cc1C ZINC000150403317 571478598 /nfs/dbraw/zinc/47/85/98/571478598.db2.gz ZYBHJDMYUWQQRL-FGZHOGPDSA-N 0 1 663.566 7.786 50 0 KKAAMN Cc1cc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2ccc3c(c2)OCO3)ccc1Br ZINC000150403242 571478632 /nfs/dbraw/zinc/47/86/32/571478632.db2.gz ANMOMCZYUZRQSX-FCHUYYIVSA-N 0 1 643.104 6.853 50 0 KKAAMN COc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(F)c2)cc1Br ZINC000150403363 571478650 /nfs/dbraw/zinc/47/86/50/571478650.db2.gz LFWKUIRPCGFQQL-VXKWHMMOSA-N 0 1 647.111 7.272 50 0 KKAAMN COc1ccc(Br)cc1[C@@H]1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)C(=O)N1c1ccc(Cl)cc1C ZINC000150403313 571478676 /nfs/dbraw/zinc/47/86/76/571478676.db2.gz ZYBHJDMYUWQQRL-YADHBBJMSA-N 0 1 663.566 7.786 50 0 KKAAMN COc1ccc(-c2nc(-c3ccccc3)c(-c3ccc4sc5ccc(-c6nc(-c7ccc(OC)cc7)[nH]c6-c6ccccc6)cc5c4c3)[nH]2)cc1 ZINC000150406004 571479507 /nfs/dbraw/zinc/47/95/07/571479507.db2.gz NHWCDXICDQFVST-UHFFFAOYSA-N 0 1 680.833 11.520 50 0 KKAAMN COc1ccc(-c2nc(-c3ccc4sc5ccc(-c6nc(-c7ccc(OC)cc7)[nH]c6-c6ccccc6)cc5c4c3)c(-c3ccccc3)[nH]2)cc1 ZINC000150406004 571479509 /nfs/dbraw/zinc/47/95/09/571479509.db2.gz NHWCDXICDQFVST-UHFFFAOYSA-N 0 1 680.833 11.520 50 0 KKAAMN CCOc1cc([C@@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)ccc1OCc1ccc(Cl)cc1 ZINC000150414563 571485027 /nfs/dbraw/zinc/48/50/27/571485027.db2.gz FRBZBSIQVLUFJL-XKWLHOGNSA-N 0 1 677.119 9.439 50 0 KKAAMN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCCN2CCN(c3ccccc3)CC2)cc1 ZINC000150414616 571485088 /nfs/dbraw/zinc/48/50/88/571485088.db2.gz RNHKBOGCVNNKCL-LJAQVGFWSA-N 0 1 664.228 5.069 50 0 KKAAMN CCOc1cc([C@@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)ccc1OCc1ccc(Cl)cc1 ZINC000150416611 571485972 /nfs/dbraw/zinc/48/59/72/571485972.db2.gz LSEYQPZWCPMJKI-LJTBLCAVSA-N 0 1 649.187 9.286 50 0 KKAAMN CCOc1cc([C@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000150419702 571487107 /nfs/dbraw/zinc/48/71/07/571487107.db2.gz SIIKAVVURVKLAN-BMWXWXOGSA-N 0 1 685.220 10.190 50 0 KKAAMN COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000150429436 571492775 /nfs/dbraw/zinc/49/27/75/571492775.db2.gz APVMKVHUFSDOSA-JEHQLEFQSA-N 0 1 650.728 7.602 50 0 KKAAMN COc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000150431676 571493655 /nfs/dbraw/zinc/49/36/55/571493655.db2.gz HHUONSCCAPUPTL-XZOQPEGZSA-N 0 1 630.695 6.732 50 0 KKAAMN O=C(Nc1ccc(Cl)cc1)[C@@H]1C(=C(O)c2ccc(Br)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000150432009 571493928 /nfs/dbraw/zinc/49/39/28/571493928.db2.gz VBYWVFMUGVSZIX-UODPJZIASA-N 0 1 624.922 6.714 50 0 KKAAMN COc1cccc([C@@H]2C3=C(N=c4s/c(=C\c5cc(I)c(O)c(I)c5)c(=O)n42)c2ccccc2CC3)c1 ZINC000150436962 571496439 /nfs/dbraw/zinc/49/64/39/571496439.db2.gz UHUZCDBUBAWGAK-VVNKCDPRSA-N 0 1 718.354 5.242 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cc3c(C)nn(Cc4c(Cl)cccc4Cl)c3s2)ccc1N1CCOCC1 ZINC000150438294 571496832 /nfs/dbraw/zinc/49/68/32/571496832.db2.gz QWDPFYKAGGAICM-UHFFFAOYSA-N 0 1 686.643 6.660 50 0 KKAAMN COc1cc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cc(Cl)cc(Cl)c2)cc(OC)c1OC ZINC000150440217 571497863 /nfs/dbraw/zinc/49/78/63/571497863.db2.gz TWOHEVSOPVWMIT-YADHBBJMSA-N 0 1 665.140 7.386 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2[C@H](C(=O)OC(c3ccccc3)c3ccccc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1OC ZINC000150444450 571499833 /nfs/dbraw/zinc/49/98/33/571499833.db2.gz IYERFCUYSKPHJI-PAMYEKIESA-N 0 1 662.742 7.010 50 0 KKAAMN COc1cc(-c2cc(C(=O)Nc3ccc(Cl)c(S(=O)(=O)Nc4cccc(Cl)c4)c3)c3ccccc3n2)cc(OC)c1OC ZINC000150449086 571501867 /nfs/dbraw/zinc/50/18/67/571501867.db2.gz QMTPXCLZFSJOFA-UHFFFAOYSA-N 0 1 638.529 7.288 50 0 KKAAMN CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cccs2)[C@@H]3c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 ZINC000150449417 571502063 /nfs/dbraw/zinc/50/20/63/571502063.db2.gz PFOKXASPPIPPQE-NGXVIIRPSA-N 0 1 660.924 11.210 50 0 KKAAMN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)c(Cl)cc2Cl)cc1 ZINC000150453127 571503403 /nfs/dbraw/zinc/50/34/03/571503403.db2.gz BOTRKWXLGCDHOA-UHFFFAOYSA-N 0 1 648.974 5.120 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3Cl)nc3ccccc32)ccc1N1CCCCC1 ZINC000150453684 571503804 /nfs/dbraw/zinc/50/38/04/571503804.db2.gz SSMXIBUWIXGTCE-UHFFFAOYSA-N 0 1 696.056 8.914 50 0 KKAAMN Cc1ccc(NC2=C(Sc3ccc(NS(=O)(=O)c4cccc(Cl)c4Cl)cc3)C(=O)N(Cc3ccco3)C2=O)cc1C ZINC000150456082 571504550 /nfs/dbraw/zinc/50/45/50/571504550.db2.gz PEOSNRJDKHTHDF-UHFFFAOYSA-N 0 1 628.559 6.989 50 0 KKAAMN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](C)OC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)c(OC)cc2OC)c1 ZINC000150462364 571506571 /nfs/dbraw/zinc/50/65/71/571506571.db2.gz BJKRDNKTSWJRHE-SFHVURJKSA-N 0 1 673.165 6.247 50 0 KKAAMN CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@@H](O)COCc1ccccc1 ZINC000169680360 571556773 /nfs/dbraw/zinc/55/67/73/571556773.db2.gz JUYMECFYFTYQJZ-GGXMVOPNSA-N 0 1 536.738 5.276 50 0 KKAAMN CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@@H](O)COCc1ccccc1 ZINC000169680360 571556774 /nfs/dbraw/zinc/55/67/74/571556774.db2.gz JUYMECFYFTYQJZ-GGXMVOPNSA-N 0 1 536.738 5.276 50 0 KKAAMN CCc1ccc(NC(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000169681772 571557455 /nfs/dbraw/zinc/55/74/55/571557455.db2.gz DCQJUZJAQYDLIF-KCWXNJEJSA-N 0 1 534.701 5.552 50 0 KKAAMN CCc1ccc(NC(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000169681772 571557456 /nfs/dbraw/zinc/55/74/56/571557456.db2.gz DCQJUZJAQYDLIF-KCWXNJEJSA-N 0 1 534.701 5.552 50 0 KKAAMN O=C(NCCc1ccccc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12 ZINC000169681828 571557691 /nfs/dbraw/zinc/55/76/91/571557691.db2.gz XGMJJTFICUCZKJ-VPUSJEBWSA-N 0 1 511.563 5.067 50 0 KKAAMN COC(=O)c1ccc(-c2ccc([C@@H]3CC(=O)Oc4cc(=O)c5c(O)c(-c6ccc(OC)c(OC)c6)coc-5c43)o2)cc1 ZINC000263585944 572121107 /nfs/dbraw/zinc/12/11/07/572121107.db2.gz OBWJXZXWGFDGIU-IBGZPJMESA-N 0 1 568.534 5.670 50 0 KKAAMN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000263585994 572121734 /nfs/dbraw/zinc/12/17/34/572121734.db2.gz ORCSDDXRZCRAIF-OVUFZDSYSA-N 0 1 627.742 5.513 50 0 KKAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2cccc(OC)c2OCCc2ccccc2)cc1OC ZINC000263586160 572122189 /nfs/dbraw/zinc/12/21/89/572122189.db2.gz QTGDWWJFEXBDQH-QHCPKHFHSA-N 0 1 594.616 6.254 50 0 KKAAMN COc1ccccc1N1CCN([C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2CCC(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000299800903 572138265 /nfs/dbraw/zinc/13/82/65/572138265.db2.gz WDKKIPBRQIMLKL-QCENPCRXSA-N 0 1 553.751 5.011 50 0 KKAAMN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC ZINC000226828343 572142560 /nfs/dbraw/zinc/14/25/60/572142560.db2.gz KXJMVBKSEQZRNO-UPRLRBBYSA-N 0 1 500.595 5.624 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(OC)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000226823047 572142968 /nfs/dbraw/zinc/14/29/68/572142968.db2.gz SGYNSRYDTADTRE-UPRLRBBYSA-N 0 1 516.594 5.324 50 0 KKAAMN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC ZINC000226823047 572142969 /nfs/dbraw/zinc/14/29/69/572142969.db2.gz SGYNSRYDTADTRE-UPRLRBBYSA-N 0 1 516.594 5.324 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000226841489 572143547 /nfs/dbraw/zinc/14/35/47/572143547.db2.gz APQGGCINDKCRQR-ZQPSKXNCSA-N 0 1 525.048 6.237 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000227022064 572147490 /nfs/dbraw/zinc/14/74/90/572147490.db2.gz BBOHAIIIDKKKOY-UPRLRBBYSA-N 0 1 556.521 5.244 50 0 KKAAMN CCCc1ccc(C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227021541 572147619 /nfs/dbraw/zinc/14/76/19/572147619.db2.gz PWVNPKHAWAWJDD-GXIQWAOMSA-N 0 1 553.102 6.881 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000227065944 572148893 /nfs/dbraw/zinc/14/88/93/572148893.db2.gz DEWWSCGSCXXTIC-UPRLRBBYSA-N 0 1 589.431 6.272 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)cc1OC ZINC000227085152 572149641 /nfs/dbraw/zinc/14/96/41/572149641.db2.gz BXXVVYZUTAEBKP-JIMJEQGWSA-N 0 1 551.437 5.688 50 0 KKAAMN 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 572149878 /nfs/dbraw/zinc/14/98/78/572149878.db2.gz NGPGDNUELGEEOY-MNFIMQGSSA-N 0 1 550.655 5.601 50 0 KKAAMN CCCCCc1ccc(C(O)=C2[C@@H](C(=O)c3ccccc3F)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227236132 572151578 /nfs/dbraw/zinc/15/15/78/572151578.db2.gz IRKBDBGPVWPMLQ-QVJCSHTLSA-N 0 1 584.691 7.415 50 0 KKAAMN CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccs3)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227234755 572151834 /nfs/dbraw/zinc/15/18/34/572151834.db2.gz CEUVDOPQEYOOPU-UIUKDCGCSA-N 0 1 558.703 6.947 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000227244480 572152746 /nfs/dbraw/zinc/15/27/46/572152746.db2.gz HXMUMYVNZGBUIT-ZGIBFIJWSA-N 0 1 585.454 6.088 50 0 KKAAMN Cc1ccc(C(O)=C2[C@@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227242611 572152998 /nfs/dbraw/zinc/15/29/98/572152998.db2.gz MRBCRXCYBAFLPE-QODLHPCFSA-N 0 1 551.067 6.566 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229629542 572157885 /nfs/dbraw/zinc/15/78/85/572157885.db2.gz KMIKRSANLJWQSH-MNFIMQGSSA-N 0 1 534.656 5.982 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3cccc(OC)c3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229647556 572158912 /nfs/dbraw/zinc/15/89/12/572158912.db2.gz RZCCVEZFKPYESN-UIUKDCGCSA-N 0 1 556.618 5.560 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3cccc(OC)c3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=Cc4ccccc4N32)c1 ZINC000229648730 572159085 /nfs/dbraw/zinc/15/90/85/572159085.db2.gz QFCRDRIZLIPPSP-OLBUMSFYSA-N 0 1 556.618 5.560 50 0 KKAAMN COc1cccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000229678955 572159404 /nfs/dbraw/zinc/15/94/04/572159404.db2.gz QCJAKAPRBRZDBT-YQQRZDPSSA-N 0 1 526.592 5.551 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(=C(O)c1ccc(Cl)cc1)[C@@]21C(=O)Nc2ccccc21 ZINC000229912057 572169068 /nfs/dbraw/zinc/16/90/68/572169068.db2.gz LDEGROAVJRFWPN-OAJQQGRKSA-N 0 1 551.067 6.648 50 0 KKAAMN O=C(Nc1ccccc1)[C@@H]1[C@H](C(=O)c2ccc(Cl)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000229978903 572176565 /nfs/dbraw/zinc/17/65/65/572176565.db2.gz JAKBBRWOUVTXDQ-KCIBBDPESA-N 0 1 546.026 5.952 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c1ccc(Cl)cc1)[C@@]21C(=O)Nc2ccccc21 ZINC000230017755 572179208 /nfs/dbraw/zinc/17/92/08/572179208.db2.gz NEFDMADXSQLBSS-UCDUTVGFSA-N 0 1 525.048 6.319 50 0 KKAAMN Cc1ccc(C(O)=C2[C@@H](C(=O)c3cccs3)N3c4ccccc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000230024694 572179642 /nfs/dbraw/zinc/17/96/42/572179642.db2.gz GNARQZJKIVFXNO-KCIBBDPESA-N 0 1 530.649 6.303 50 0 KKAAMN Cc1cc(Cl)cc2c1NC(=O)[C@@]21N[C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]21 ZINC000230029160 572180083 /nfs/dbraw/zinc/18/00/83/572180083.db2.gz RPUKYEYTCDNLPT-RWJVBYDYSA-N 0 1 563.416 5.090 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3cccc(OC)c3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4ccccc4N32)c1 ZINC000230031152 572180173 /nfs/dbraw/zinc/18/01/73/572180173.db2.gz DRZDKYKOOMXBJK-BSYZOHBLSA-N 0 1 570.645 5.950 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccc(F)cc3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=Cc4ccccc4N23)c1 ZINC000230189160 572185106 /nfs/dbraw/zinc/18/51/06/572185106.db2.gz SDVTXTLGUFYSAS-CTMYTVLESA-N 0 1 544.582 5.690 50 0 KKAAMN CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(OC)cc4)[C@]3(c3ccccc3)C2=O)cc1 ZINC000239287414 572192967 /nfs/dbraw/zinc/19/29/67/572192967.db2.gz CSPMPBHDTIPGRZ-PRMIEGHPSA-N 0 1 520.585 5.467 50 0 KKAAMN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC)cc4)[C@]3(c3ccccc3)C2=O)cc1 ZINC000239287414 572192968 /nfs/dbraw/zinc/19/29/68/572192968.db2.gz CSPMPBHDTIPGRZ-PRMIEGHPSA-N 0 1 520.585 5.467 50 0 KKAAMN CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccs3)N3c4ccccc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245245226 572217387 /nfs/dbraw/zinc/21/73/87/572217387.db2.gz CEUVDOPQEYOOPU-ZPNDBRHUSA-N 0 1 558.703 6.947 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccccc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245245158 572217394 /nfs/dbraw/zinc/21/73/94/572217394.db2.gz APXNXQBKHBFFJU-DQGIEBHESA-N 0 1 552.674 6.885 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)[C@H](C(=O)c1ccc(Br)cc1)[C@]21C(=O)Nc2ccccc21 ZINC000245245662 572217761 /nfs/dbraw/zinc/21/77/61/572217761.db2.gz FSIUZZMJEWPRPO-ACIRYHQQSA-N 0 1 569.499 6.428 50 0 KKAAMN CCCCCc1ccc(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245246124 572218618 /nfs/dbraw/zinc/21/86/18/572218618.db2.gz JBAPVEUVVINPCP-GSFCIGPDSA-N 0 1 572.730 7.337 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(=C(O)c2ccccc2Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000245246140 572218874 /nfs/dbraw/zinc/21/88/74/572218874.db2.gz JLXABJXTIHIMBM-CILKRHGOSA-N 0 1 565.094 6.956 50 0 KKAAMN COc1cccc(C(O)=C2[C@H](C(=O)Nc3ccc(Cl)cc3)N3c4ccccc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000245246377 572219384 /nfs/dbraw/zinc/21/93/84/572219384.db2.gz JXPUQSZNRYXNKE-IANDGLOUSA-N 0 1 576.052 5.961 50 0 KKAAMN CC(C)Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245247182 572220356 /nfs/dbraw/zinc/22/03/56/572220356.db2.gz RCTOPHZWRMEQHQ-ZPNDBRHUSA-N 0 1 558.703 6.803 50 0 KKAAMN Cc1cccc(NC(=O)[C@H](CN(Cc2ccc3c(c2)OCO3)C[C@H]2CCCO2)Oc2cccc(C)c2)c1 ZINC000245280448 572224774 /nfs/dbraw/zinc/22/47/74/572224774.db2.gz QMTCUQUMPWAUCA-UHSQPCAPSA-N 0 1 502.611 5.099 50 0 KKAAMN Cc1ccc2c(c1)N1[C@H](C(=O)c3ccccc3)C(=C(O)c3ccc(F)cc3)[C@]3(C(=O)Nc4ccccc43)[C@@H]1C=C2 ZINC000245309137 572227082 /nfs/dbraw/zinc/22/70/82/572227082.db2.gz BORWYOQJADXEQG-CTMYTVLESA-N 0 1 528.583 5.990 50 0 KKAAMN COc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCN([C@H]3CCCc4ccccc43)CC2)cc1OC ZINC000245309689 572227501 /nfs/dbraw/zinc/22/75/01/572227501.db2.gz FLHKCCSOWHLZHB-WUFINQPMSA-N 0 1 509.650 6.117 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(=C(O)c1ccccc1)[C@@]21C(=O)Nc2ccccc21 ZINC000245309801 572227525 /nfs/dbraw/zinc/22/75/25/572227525.db2.gz GKXMUNUXSDHWSP-WPQKMFINSA-N 0 1 516.622 5.994 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(=C(O)c1ccccc1)[C@]21C(=O)Nc2ccccc21 ZINC000245309796 572227530 /nfs/dbraw/zinc/22/75/30/572227530.db2.gz GKXMUNUXSDHWSP-BQUCCUTGSA-N 0 1 516.622 5.994 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245309426 572227564 /nfs/dbraw/zinc/22/75/64/572227564.db2.gz CSFVDXPSRXRALB-WASVBOSJSA-N 0 1 541.047 5.937 50 0 KKAAMN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccc(Cl)cc2)C(=C(O)c2ccccc2)[C@@]12C(=O)Nc1ccccc12 ZINC000245310318 572228005 /nfs/dbraw/zinc/22/80/05/572228005.db2.gz IDJVIDHNCGZBPO-DCMQHHMNSA-N 0 1 545.038 6.505 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2C(=C(O)c3ccncc3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000245310117 572228130 /nfs/dbraw/zinc/22/81/30/572228130.db2.gz HYGHLBUQCYKRDY-OLBUMSFYSA-N 0 1 539.635 5.945 50 0 KKAAMN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c2ccc(CC(C)C)cc2)[C@]12c1ccccc1NC2=O ZINC000245312568 572229867 /nfs/dbraw/zinc/22/98/67/572229867.db2.gz VYVHRPGSHGXTNI-MSMWPWNWSA-N 0 1 546.711 6.782 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(C(=O)c3ccco3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)c1 ZINC000245312096 572229888 /nfs/dbraw/zinc/22/98/88/572229888.db2.gz SGSXNADEYJDAMK-NBJHOTSESA-N 0 1 530.580 5.534 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccncc2)[C@@]12C(=O)Nc1ccccc12 ZINC000245313088 572230867 /nfs/dbraw/zinc/23/08/67/572230867.db2.gz ZWIGVAWXIVDOOY-AOFBEVEVSA-N 0 1 525.608 5.636 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccc(C)cc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245327779 572234429 /nfs/dbraw/zinc/23/44/29/572234429.db2.gz QYVYGXIWUJOHGA-XGHZCBFSSA-N 0 1 566.701 7.194 50 0 KKAAMN CCc1ccc(C(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000245330409 572236501 /nfs/dbraw/zinc/23/65/01/572236501.db2.gz YGVLIVLQCUTCGO-ONOMSOESSA-N 0 1 519.686 5.160 50 0 KKAAMN Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000245343320 572238040 /nfs/dbraw/zinc/23/80/40/572238040.db2.gz LUEMCUCYSZVCBV-JIPXPUAJSA-N 0 1 522.114 5.421 50 0 KKAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000245343320 572238042 /nfs/dbraw/zinc/23/80/42/572238042.db2.gz LUEMCUCYSZVCBV-JIPXPUAJSA-N 0 1 522.114 5.421 50 0 KKAAMN CSc1ccc(NC(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000245343272 572238251 /nfs/dbraw/zinc/23/82/51/572238251.db2.gz KBOITOQUUWEKPB-PIIWDFAUSA-N 0 1 552.741 5.712 50 0 KKAAMN CSc1ccc(NC(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000245343272 572238255 /nfs/dbraw/zinc/23/82/55/572238255.db2.gz KBOITOQUUWEKPB-PIIWDFAUSA-N 0 1 552.741 5.712 50 0 KKAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000245343379 572238464 /nfs/dbraw/zinc/23/84/64/572238464.db2.gz NDXPHCQJFPTDEB-WUIMFCPGSA-N 0 1 527.734 5.257 50 0 KKAAMN C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000245343403 572238669 /nfs/dbraw/zinc/23/86/69/572238669.db2.gz NYUDNNDZEZYLFM-DNOBIOAJSA-N 0 1 560.522 5.905 50 0 KKAAMN Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000245343544 572238942 /nfs/dbraw/zinc/23/89/42/572238942.db2.gz RGYKOMQVFFEZHE-NFQMXDRXSA-N 0 1 556.559 6.074 50 0 KKAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000245343544 572238943 /nfs/dbraw/zinc/23/89/43/572238943.db2.gz RGYKOMQVFFEZHE-NFQMXDRXSA-N 0 1 556.559 6.074 50 0 KKAAMN O=C(NCCc1ccccc1)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247481990 572242378 /nfs/dbraw/zinc/24/23/78/572242378.db2.gz JJTFHGQBRPEFSK-JOCHJYFZSA-N 0 1 517.471 5.359 50 0 KKAAMN O=C(NCc1ccc(Cl)cc1)[C@@H]1CCCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247489591 572242425 /nfs/dbraw/zinc/24/24/25/572242425.db2.gz LXDOBCPACMYBJP-JOCHJYFZSA-N 0 1 507.465 5.920 50 0 KKAAMN O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247504645 572242808 /nfs/dbraw/zinc/24/28/08/572242808.db2.gz RDXQSARHZNOSNV-KRWDZBQOSA-N 0 1 558.307 6.946 50 0 KKAAMN O=C(NCc1ccc(Br)cc1)[C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)C1 ZINC000247521095 572242882 /nfs/dbraw/zinc/24/28/82/572242882.db2.gz XJAXTKHHAOUVRO-FQEVSTJZSA-N 0 1 521.434 5.456 50 0 KKAAMN O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247726615 572243849 /nfs/dbraw/zinc/24/38/49/572243849.db2.gz DRLIOSCWJRJHGA-VWLOTQADSA-N 0 1 595.541 7.218 50 0 KKAAMN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247734154 572244050 /nfs/dbraw/zinc/24/40/50/572244050.db2.gz JRWHFSAXCAYLPH-GOSISDBHSA-N 0 1 557.414 6.658 50 0 KKAAMN O=C(Nc1ccc(Br)cc1)[C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247739851 572244150 /nfs/dbraw/zinc/24/41/50/572244150.db2.gz NFRRAOIOKKXVDM-SFHVURJKSA-N 0 1 568.313 6.401 50 0 KKAAMN O=C(Nc1ccccc1C(F)(F)F)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247737803 572244211 /nfs/dbraw/zinc/24/42/11/572244211.db2.gz LVJJGECIKPXQRE-GOSISDBHSA-N 0 1 557.414 6.658 50 0 KKAAMN O=C(Nc1ccc(Cl)cc1)[C@@H]1C(=C(O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000247744882 572244377 /nfs/dbraw/zinc/24/43/77/572244377.db2.gz PXAJLINWNJTMMK-YGGCMVMVSA-N 0 1 580.471 6.605 50 0 KKAAMN O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247754747 572244626 /nfs/dbraw/zinc/24/46/26/572244626.db2.gz WNICLMRSUCSYHR-QGZVFWFLSA-N 0 1 558.307 6.946 50 0 KKAAMN O=C(Nc1ccccc1Cl)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247758773 572244725 /nfs/dbraw/zinc/24/47/25/572244725.db2.gz ZCPQVKWUKDDWQR-GOSISDBHSA-N 0 1 523.862 6.292 50 0 KKAAMN O=C(c1ccc(Cl)c(Cl)c1)N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000247826160 572245625 /nfs/dbraw/zinc/24/56/25/572245625.db2.gz JGXOCHKFLKKATN-QFIPXVFZSA-N 0 1 655.424 6.291 50 0 KKAAMN O=C(c1ccc(Cl)c(Cl)c1)N1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000247826160 572245627 /nfs/dbraw/zinc/24/56/27/572245627.db2.gz JGXOCHKFLKKATN-QFIPXVFZSA-N 0 1 655.424 6.291 50 0 KKAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccc(F)c(Cl)c2)CC1 ZINC000247847212 572246331 /nfs/dbraw/zinc/24/63/31/572246331.db2.gz HKVKIARSJWROSW-QHCPKHFHSA-N 0 1 580.535 6.091 50 0 KKAAMN COc1ccc(Cn2c(CN3CCC[C@@H](C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)C3)nc3ccccc32)cc1 ZINC000247867310 572246754 /nfs/dbraw/zinc/24/67/54/572246754.db2.gz BHPQXGWUAADBSP-RUZDIDTESA-N 0 1 591.678 5.673 50 0 KKAAMN COc1ccc(Cn2c(CN3CCC[C@@H](C(=O)Nc4cccc5ccccc54)C3)nc3ccccc32)cc1 ZINC000247867240 572246799 /nfs/dbraw/zinc/24/67/99/572246799.db2.gz BGERCDNRNGNUHN-RUZDIDTESA-N 0 1 504.634 6.097 50 0 KKAAMN COc1ccc(Cn2c(CN3CCC[C@H](C(=O)Nc4cccc5ccccc54)C3)nc3ccccc32)cc1 ZINC000247867246 572246924 /nfs/dbraw/zinc/24/69/24/572246924.db2.gz BGERCDNRNGNUHN-VWLOTQADSA-N 0 1 504.634 6.097 50 0 KKAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2ccccc2)CC1 ZINC000247874649 572247485 /nfs/dbraw/zinc/24/74/85/572247485.db2.gz SOKPWDCDBFMGSM-HSZRJFAPSA-N 0 1 558.524 5.349 50 0 KKAAMN O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000247875872 572247566 /nfs/dbraw/zinc/24/75/66/572247566.db2.gz NWHZGQIHQJPDQE-OAQYLSRUSA-N 0 1 655.424 6.291 50 0 KKAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000247877050 572247756 /nfs/dbraw/zinc/24/77/56/572247756.db2.gz UKNDYFJDGAXMEF-QFIPXVFZSA-N 0 1 532.063 5.379 50 0 KKAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccccc2)CC1 ZINC000247881309 572247796 /nfs/dbraw/zinc/24/77/96/572247796.db2.gz VSALLOTZMOVXMY-RUZDIDTESA-N 0 1 528.100 5.299 50 0 KKAAMN Cc1cccc(C)c1N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000247885023 572248390 /nfs/dbraw/zinc/24/83/90/572248390.db2.gz SRUNXSHMUHYJHG-RUZDIDTESA-N 0 1 586.578 5.966 50 0 KKAAMN COc1ccc(CNC(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)cc1 ZINC000247919880 572249461 /nfs/dbraw/zinc/24/94/61/572249461.db2.gz XGXPKAGJUKAIKQ-OAQYLSRUSA-N 0 1 533.470 5.325 50 0 KKAAMN COc1ccc(CNC(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1 ZINC000247921724 572249614 /nfs/dbraw/zinc/24/96/14/572249614.db2.gz YBRKITHYQRTRLJ-OAQYLSRUSA-N 0 1 533.470 5.325 50 0 KKAAMN COc1ccc(Cn2c(CN3CCC[C@H](C(=O)NCc4ccc(Br)cc4)C3)nc3ccccc32)cc1 ZINC000247924261 572249678 /nfs/dbraw/zinc/24/96/78/572249678.db2.gz YVANHRDAMSFUEQ-QHCPKHFHSA-N 0 1 547.497 5.384 50 0 KKAAMN Cc1cc(Cl)cc2c1NC(=O)[C@@]21N[C@H](Cc2c[nH]c3ccccc23)[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]21 ZINC000247934191 572249813 /nfs/dbraw/zinc/24/98/13/572249813.db2.gz RPUKYEYTCDNLPT-CAFXQFFASA-N 0 1 563.416 5.090 50 0 KKAAMN CC(C)n1c2ccccc2nc1CN1CCC[C@@H](C(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)C1 ZINC000248033270 572252857 /nfs/dbraw/zinc/25/28/57/572252857.db2.gz YHAJZGRGDPSNIC-HXUWFJFHSA-N 0 1 514.501 5.485 50 0 KKAAMN Cc1cccc(N2CCN(C(=O)[C@H]3CCCN(Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)c1 ZINC000248118024 572254131 /nfs/dbraw/zinc/25/41/31/572254131.db2.gz QLNSDPDISZWENL-DEOSSOPVSA-N 0 1 511.645 5.034 50 0 KKAAMN COc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000248117842 572254152 /nfs/dbraw/zinc/25/41/52/572254152.db2.gz CAWYTZWQSARKTQ-HSZRJFAPSA-N 0 1 588.550 5.357 50 0 KKAAMN COc1cccc(N2CCN(C(=O)[C@H]3CCCN(Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)c1 ZINC000248124673 572254443 /nfs/dbraw/zinc/25/44/43/572254443.db2.gz HBNCXBWIWBXCLK-QHCPKHFHSA-N 0 1 588.550 5.357 50 0 KKAAMN Cc1ccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)cc1 ZINC000248126174 572254498 /nfs/dbraw/zinc/25/44/98/572254498.db2.gz UWHGQZGOXKYVSK-XMMPIXPASA-N 0 1 511.645 5.034 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2[C@H](C(=O)Nc3ccc(Cl)cc3)N3c4ccccc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000248137474 572255108 /nfs/dbraw/zinc/25/51/08/572255108.db2.gz NXWDDGDDTWIZOE-IANDGLOUSA-N 0 1 576.052 5.961 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3cccc(OC)c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N32)c1 ZINC000248141575 572255260 /nfs/dbraw/zinc/25/52/60/572255260.db2.gz QFCRDRIZLIPPSP-FKGBSIOTSA-N 0 1 556.618 5.560 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccc4c(c3)OCO4)[C@@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4cc(C)ccc4N32)c1 ZINC000248149498 572255621 /nfs/dbraw/zinc/25/56/21/572255621.db2.gz VDKDCQCYZSIFDO-HREFQMLDSA-N 0 1 598.655 5.979 50 0 KKAAMN Cc1cccc(N2CCN(C(=O)[C@H]3CCCN(Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)c1C ZINC000248152948 572255809 /nfs/dbraw/zinc/25/58/09/572255809.db2.gz KNFYZLOWBBUDMA-VWLOTQADSA-N 0 1 525.672 5.342 50 0 KKAAMN CC(C)Cc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000248196106 572256537 /nfs/dbraw/zinc/25/65/37/572256537.db2.gz PRZDKXSSSNBCCY-CSSWAUQYSA-N 0 1 552.674 6.741 50 0 KKAAMN CC(C)C[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000248199000 572256656 /nfs/dbraw/zinc/25/66/56/572256656.db2.gz SXAGVEHGYUSQRE-BKZIBCHUSA-N 0 1 562.497 5.555 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000248240810 572256903 /nfs/dbraw/zinc/25/69/03/572256903.db2.gz DZAUPJNSMSKIDR-WASVBOSJSA-N 0 1 506.602 5.284 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)[C@H](C(=O)c1ccc(F)cc1)[C@@]21C(=O)Nc2ccccc21 ZINC000248261222 572257346 /nfs/dbraw/zinc/25/73/46/572257346.db2.gz MLTJVINZDMTDMW-XTQYNZLPSA-N 0 1 508.593 5.804 50 0 KKAAMN CCc1cccc(NC(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)c1 ZINC000251923436 572259554 /nfs/dbraw/zinc/25/95/54/572259554.db2.gz BQIOMTNMJQCPGM-OAQYLSRUSA-N 0 1 517.471 6.201 50 0 KKAAMN CCc1ccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)cc1 ZINC000251999719 572259642 /nfs/dbraw/zinc/25/96/42/572259642.db2.gz MAESCUSNYDMNOD-RUZDIDTESA-N 0 1 525.672 5.288 50 0 KKAAMN CCCc1ccc(N2CCN(C(=O)[C@H]3CCCN(Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)cc1 ZINC000252257110 572260045 /nfs/dbraw/zinc/26/00/45/572260045.db2.gz MXTDDQFIHPJAEE-SANMLTNESA-N 0 1 539.699 5.678 50 0 KKAAMN Brc1ccc2[nH]c(=NN=Cc3cn(-c4ccccc4)nc3-c3ccccc3)cc(-c3ccccc3)c2c1 ZINC000252606367 572267822 /nfs/dbraw/zinc/26/78/22/572267822.db2.gz GSBMXVSNEUBQLZ-UHFFFAOYSA-N 0 1 544.456 7.963 50 0 KKAAMN Brc1ccc2nc(N=NCc3cn(-c4ccccc4)nc3-c3ccccc3)cc(-c3ccccc3)c2c1 ZINC000252606367 572267824 /nfs/dbraw/zinc/26/78/24/572267824.db2.gz GSBMXVSNEUBQLZ-UHFFFAOYSA-N 0 1 544.456 7.963 50 0 KKAAMN CCN(CC)c1nc(=NN=Cc2ccc(Br)c([N+](=O)[O-])c2)nc(Nc2ccc(C)c(Cl)c2)[nH]1 ZINC000252610541 572268175 /nfs/dbraw/zinc/26/81/75/572268175.db2.gz ICIRALVCQRLFCQ-UHFFFAOYSA-N 0 1 533.818 5.540 50 0 KKAAMN COc1ccc([C@@H](CC(=O)N2CCCCC2)c2c(=O)cc(O)c3c(O)cc(-c4ccccc4)oc2-3)c(OC)c1OC ZINC000253403272 572285673 /nfs/dbraw/zinc/28/56/73/572285673.db2.gz HAAUVFBDWHAERN-OAQYLSRUSA-N 0 1 559.615 5.432 50 0 KKAAMN COc1cc([C@@H](CC(=O)N2CCCCC2)c2c(=O)cc(O)c3c(O)cc(-c4ccccc4)oc2-3)cc(OC)c1O ZINC000253410686 572287390 /nfs/dbraw/zinc/28/73/90/572287390.db2.gz NPEUUGMNKVWNML-HXUWFJFHSA-N 0 1 545.588 5.129 50 0 KKAAMN COc1cccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(Cl)cc5)coc-4c32)c1OCCc1ccc2c(c1)CCO2 ZINC000253412231 572287919 /nfs/dbraw/zinc/28/79/19/572287919.db2.gz QHGWHGIVPAPRJT-DEOSSOPVSA-N 0 1 611.046 6.825 50 0 KKAAMN COc1ccc2cc3c(nc2c1)Oc1cc(=O)c2c(O)cc(-c4ccccc4)oc-2c1[C@H]3CC(=O)N1CCCCC1 ZINC000253412891 572288270 /nfs/dbraw/zinc/28/82/70/572288270.db2.gz SJWNYAFXXWPCDV-QFIPXVFZSA-N 0 1 548.595 6.363 50 0 KKAAMN COc1cc([C@@H](CC(=O)N2CCCCC2)c2c(=O)cc(O)c3c(O)cc(-c4ccccc4)oc2-3)cc2c1OCO2 ZINC000253413589 572288523 /nfs/dbraw/zinc/28/85/23/572288523.db2.gz VEDWORJSFGZRTD-HXUWFJFHSA-N 0 1 543.572 5.143 50 0 KKAAMN Cc1ccc([C@H]2CC(c3cccc(N(C)C)c3)=NN2c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)cc1 ZINC000253429901 572289378 /nfs/dbraw/zinc/28/93/78/572289378.db2.gz DLSSABDSAUDJEW-SSEXGKCCSA-N 0 1 518.064 7.680 50 0 KKAAMN Cc1ccc(C)c(NC(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)c1 ZINC000253479655 572289986 /nfs/dbraw/zinc/28/99/86/572289986.db2.gz RQUMINIXJUZQHT-OAQYLSRUSA-N 0 1 517.471 6.256 50 0 KKAAMN O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1[C@H](C(=O)c2ccc3c(c2)OCO3)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000253488109 572291277 /nfs/dbraw/zinc/29/12/77/572291277.db2.gz XDROSPZFMAZBPF-JAJQIJGUSA-N 0 1 646.699 6.721 50 0 KKAAMN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)COc5cc(O)c6c(=O)cc(-c7ccccc7)oc6c5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253497355 572291989 /nfs/dbraw/zinc/29/19/89/572291989.db2.gz WXIZXILJEQMMHV-LYSFYLNXSA-N 0 1 680.926 10.498 50 0 KKAAMN CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]2O[C@H](SC)[C@H](O)[C@@H]3O[C@@H](c4ccc(OC)cc4)O[C@@H]32)N(C)C1 ZINC000257359383 572322148 /nfs/dbraw/zinc/32/21/48/572322148.db2.gz ZXIDTTGVCKUJNE-PXWDYGGNSA-N 0 1 767.001 6.929 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)Nc3n[nH]c(CCC4CCCC4)n3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409413150 1069808665 /nfs/dbraw/zinc/80/86/65/1069808665.db2.gz APCHDXMNBDNJEN-VPUSJEBWSA-N 0 1 678.856 5.276 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)Nc3nc(CCC4CCCC4)n[nH]3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409413150 1069808686 /nfs/dbraw/zinc/80/86/86/1069808686.db2.gz APCHDXMNBDNJEN-VPUSJEBWSA-N 0 1 678.856 5.276 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CCSC)C(=O)Nc3ccc4nc(C(C)C)[nH]c4c3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000409414619 1069811068 /nfs/dbraw/zinc/81/10/68/1069811068.db2.gz NLZHCTXFAQIMEX-LBNVMWSVSA-N 0 1 673.836 6.035 50 0 KKAAMN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc2nc(CCc3ccccc3)[nH]c2c1 ZINC000409415128 1069812407 /nfs/dbraw/zinc/81/24/07/1069812407.db2.gz UJMRFMVRHLFUPD-KHZJDHKHSA-N 0 1 717.867 6.990 50 0 KKAAMN CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(=C(O)c1ccc(Cl)cc1)[C@]21C(=O)Nc2ccccc21 ZINC000524733007 1069836687 /nfs/dbraw/zinc/83/66/87/1069836687.db2.gz LDEGROAVJRFWPN-QODLHPCFSA-N 0 1 551.067 6.648 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@@H](C(=O)c3ccccc3)N3c4ccc(C)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000524734030 1069837073 /nfs/dbraw/zinc/83/70/73/1069837073.db2.gz PCDDREDJSVDBSH-JMNGKNCGSA-N 0 1 552.674 6.804 50 0 KKAAMN CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(=C(O)c1ccc3c(c1)OCO3)[C@]21C(=O)Nc2ccccc21 ZINC000524733939 1069837286 /nfs/dbraw/zinc/83/72/86/1069837286.db2.gz GUAGTPGUTGYUGT-ZXFZPVEDSA-N 0 1 554.602 5.662 50 0 KKAAMN CC(=O)Nc1ccc(-c2nc(-c3ccccc3Br)c(-c3ccc(Br)cc3)[nH]2)cc1 ZINC000002921235 1069842424 /nfs/dbraw/zinc/84/24/24/1069842424.db2.gz ZMHGFKVQTUXIJK-UHFFFAOYSA-N 0 1 511.217 6.894 50 0 KKAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc2nc(CCc3ccccc3)[nH]c2c1 ZINC000409415127 1070929341 /nfs/dbraw/zinc/92/93/41/1070929341.db2.gz UJMRFMVRHLFUPD-HUWZVGPSSA-N 0 1 717.867 6.990 50 0 KKAAMN COc1ccc(CCc2nnc(NC(=O)CCCCCNc3ccc4c(cc3=O)[C@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)[nH]2)cc1OC ZINC000888090782 1071066331 /nfs/dbraw/zinc/06/63/31/1071066331.db2.gz UTGDKUNKHNEAGJ-MUUNZHRXSA-N 0 1 728.847 5.395 50 0 KKAAMN COc1ccc(CCc2n[nH]c(NC(=O)CCCCCNc3ccc4c(cc3=O)[C@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)n2)cc1OC ZINC000888090782 1071066342 /nfs/dbraw/zinc/06/63/42/1071066342.db2.gz UTGDKUNKHNEAGJ-MUUNZHRXSA-N 0 1 728.847 5.395 50 0 KKAAMN CCOC(=O)[C@@H]1CCCN(c2nc3cc(OC)c(OC)cc3cc2CNCc2cccc(C(F)(F)F)c2)C1 ZINC000299758768 1071128206 /nfs/dbraw/zinc/12/82/06/1071128206.db2.gz MZNSWQZUIHPKFS-LJQANCHMSA-N 0 1 531.575 5.340 50 0 KKAAMN CC(NC[C@H]1c2ccccc2C(=O)N(CCc2ccccc2)[C@H]1c1ccc2c(c1)c1ccccc1n2C)=C1C(=O)NC(=O)N(C)C1=O ZINC000575442913 1071142056 /nfs/dbraw/zinc/14/20/56/1071142056.db2.gz IHBVCQHBKNABEK-MHISISCBSA-N 0 1 625.729 5.427 50 0 KKAAMN CCCCCCCCn1c2ccccc2nc1N=Cc1cc(Br)cc(Br)c1O ZINC000263628678 1071154514 /nfs/dbraw/zinc/15/45/14/1071154514.db2.gz DVUIITQZWIJJCB-UHFFFAOYSA-N 0 1 507.270 7.378 50 0 KKAAMN O=[P@](/C=C(/Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@@H]2[C@@H]1c1ccc(Cl)cc1 ZINC000227021366 1071185032 /nfs/dbraw/zinc/18/50/32/1071185032.db2.gz PRTIUQQATSLMAY-CHGNNWOASA-N 0 1 678.427 12.343 50 0 KKAAMN CN(Cc1ccsc1)Cc1cccc(OC2CCN(C(=O)c3ccc(-c4cccc(F)c4)cc3)CC2)c1 ZINC000014951120 1071245296 /nfs/dbraw/zinc/24/52/96/1071245296.db2.gz ZZJKJGRMRDMFCE-UHFFFAOYSA-N 0 1 514.666 6.870 50 0 KKAAMN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(-c2ccccc2OC)n[nH]1 ZINC000604403945 1071268563 /nfs/dbraw/zinc/26/85/63/1071268563.db2.gz 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/nfs/dbraw/zinc/84/34/06/1072843406.db2.gz AMHMFDBBGUDGHQ-DEOSSOPVSA-N 0 1 524.662 6.192 50 0 KKAAMN N#CC1=C([S-])N[C@](O)(c2ccccc2)[C@H]([n+]2ccc3ccccc3c2)[C@H]1c1cccc(I)c1 ZINC000254305577 1072846310 /nfs/dbraw/zinc/84/63/10/1072846310.db2.gz JGBVALJFVXWYQO-WEWMWRJBSA-O 0 1 562.456 5.170 50 0 KKAAMN CCOC(=O)C(=NNc1cc(C(F)(F)F)ccc1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000254760903 1072877519 /nfs/dbraw/zinc/87/75/19/1072877519.db2.gz CBKBUCQPNNTPRX-UHFFFAOYSA-N 0 1 545.005 6.055 50 0 KKAAMN CCOC(=O)C(=NNc1cc(Cl)ccc1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000254770686 1072878387 /nfs/dbraw/zinc/87/83/87/1072878387.db2.gz DZKDKGHEWGVLDO-UHFFFAOYSA-N 0 1 511.453 5.689 50 0 KKAAMN Cc1ccc(S(=O)(=O)Nc2cc(Br)c(Br)cc2NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000000625527 551503697 /nfs/dbraw/zinc/50/36/97/551503697.db2.gz HQTDELJACHUANE-UHFFFAOYSA-N 0 1 574.316 5.430 50 0 KKAAMN O=C(c1ccccc1)N1CCN(C[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1 ZINC000000639580 551506901 /nfs/dbraw/zinc/50/69/01/551506901.db2.gz 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O=C(Nc1ccc(F)cc1Cl)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 ZINC000003293242 552341554 /nfs/dbraw/zinc/34/15/54/552341554.db2.gz VTQGEEJTZADGTF-UHFFFAOYSA-N 0 1 518.191 5.948 50 0 KKAAMN CC(=O)c1cccc(NC(=O)COC(=O)c2ccccc2NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)c1 ZINC000003319622 552355022 /nfs/dbraw/zinc/35/50/22/552355022.db2.gz CFGGYYYBHGFPRI-UHFFFAOYSA-N 0 1 522.623 5.091 50 0 KKAAMN CCOC(=O)c1c(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3OC)ccc2C)sc2c1CCCC2 ZINC000003321944 552355693 /nfs/dbraw/zinc/35/56/93/552355693.db2.gz ZSKGHJAOYKPHMJ-UHFFFAOYSA-N 0 1 528.652 5.174 50 0 KKAAMN O=C(COC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)c(Cl)cc1Cl)Nc1ccc(Cl)cc1 ZINC000003346811 552364976 /nfs/dbraw/zinc/36/49/76/552364976.db2.gz SWVJDUJXLGXDCJ-UHFFFAOYSA-N 0 1 531.776 5.382 50 0 KKAAMN Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)Nc3cc(Cl)ccc3N3CCN(C)CC3)c12 ZINC000003432781 552385774 /nfs/dbraw/zinc/38/57/74/552385774.db2.gz HGRVCFCAXSKKJH-UHFFFAOYSA-N 0 1 543.096 6.115 50 0 KKAAMN COc1ccccc1Nc1c2cc(NC(=O)/C=C/c3ccc(OCCC(C)C)cc3)ccc2nc2c1CCCC2 ZINC000003646157 552401658 /nfs/dbraw/zinc/40/16/58/552401658.db2.gz YUZSQTORQYYKLD-XMHGGMMESA-N 0 1 535.688 7.943 50 0 KKAAMN O=C1C(Nc2ccc(Br)cc2)=C[C@@H](c2ccc3c(c2)OCO3)N1c1ccc(Br)cc1 ZINC000003669037 552410419 /nfs/dbraw/zinc/41/04/19/552410419.db2.gz KTSDPCUGYCTCHC-FQEVSTJZSA-N 0 1 528.200 6.024 50 0 KKAAMN CN1CC2=C(N=C3SC=C(c4ccc(F)cc4)N3[C@@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 ZINC000004481329 552461920 /nfs/dbraw/zinc/46/19/20/552461920.db2.gz UIPGYHGLNQKDCY-GHMVGRGESA-N 0 1 534.487 7.874 50 0 KKAAMN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCCN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000004761922 552478370 /nfs/dbraw/zinc/47/83/70/552478370.db2.gz VKOPELHILUKHBE-MUUNZHRXSA-N 0 1 610.155 5.031 50 0 KKAAMN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCCN2CCN(c3ccccc3)CC2)cc1 ZINC000004762076 552478479 /nfs/dbraw/zinc/47/84/79/552478479.db2.gz KQKAORAWBUFXCE-LJAQVGFWSA-N 0 1 606.192 5.282 50 0 KKAAMN CCOc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCCN3CCN(c4ccc(F)cc4)CC3)C2=S)cc1 ZINC000004762158 552478853 /nfs/dbraw/zinc/47/88/53/552478853.db2.gz GHAJHBUSVJQQDE-LJAQVGFWSA-N 0 1 624.182 5.421 50 0 KKAAMN CCOc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCCN3CCN(c4ccc(F)cc4)CC3)C2=S)cc1 ZINC000004762162 552478954 /nfs/dbraw/zinc/47/89/54/552478954.db2.gz GHAJHBUSVJQQDE-GDLZYMKVSA-N 0 1 624.182 5.421 50 0 KKAAMN CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3cccc(S(=O)(=O)Nc4ccccc4OC)c3)C2=O)cc1 ZINC000005940459 552513345 /nfs/dbraw/zinc/51/33/45/552513345.db2.gz BELCWUYULWXYPO-NHFJDJAPSA-N 0 1 597.649 5.313 50 0 KKAAMN CCN(CC)c1ccc(NC(=O)c2ccccc2Br)cc1S(=O)(=O)Nc1ccccc1OC ZINC000005940382 552513406 /nfs/dbraw/zinc/51/34/06/552513406.db2.gz GHCQADBLCQGQIC-UHFFFAOYSA-N 0 1 532.460 5.357 50 0 aggregator KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3cc(Cl)ccc3C)C2=O)c1 ZINC000005941885 552514081 /nfs/dbraw/zinc/51/40/81/552514081.db2.gz FESUBQCMVKAANH-XIEYBQDHSA-N 0 1 574.058 6.098 50 0 KKAAMN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccccc1NS(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC000006146141 552547663 /nfs/dbraw/zinc/54/76/63/552547663.db2.gz CQBDOYJEFOPSSA-UHFFFAOYSA-N 0 1 597.158 7.532 50 0 KKAAMN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000006146143 552547667 /nfs/dbraw/zinc/54/76/67/552547667.db2.gz UOANDGGNQLPZRZ-UHFFFAOYSA-N 0 1 577.030 6.577 50 0 KKAAMN Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000006146776 552548588 /nfs/dbraw/zinc/54/85/88/552548588.db2.gz ABZPZZXSHCGVQI-RCZVLFRGSA-N 0 1 529.584 5.263 50 0 KKAAMN O=C(Nc1ccc(I)cc1)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000006146975 552548643 /nfs/dbraw/zinc/54/86/43/552548643.db2.gz RYFBSBHMWMKPMP-UHFFFAOYSA-N 0 1 557.207 5.107 50 0 KKAAMN O=S(=O)(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(Cl)c1)c1cccn1-c1ncc(C(F)(F)F)cc1Cl ZINC000006198901 552570472 /nfs/dbraw/zinc/57/04/72/552570472.db2.gz WBTOPEPPKSBXOQ-UHFFFAOYSA-N 0 1 597.324 7.205 50 0 KKAAMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CN(c4cc(Cl)ccc4C)S(=O)(=O)c4ccccc4)cc3)cc2)c1 ZINC000008384461 552989372 /nfs/dbraw/zinc/98/93/72/552989372.db2.gz HPNAJPPIQLCHLS-UHFFFAOYSA-N 0 1 706.242 7.114 50 0 KKAAMN O=C(Nc1ccc(-c2nc3ccc(-c4ccc5[nH]c(-c6ccc(NC(=O)c7cccc8ccccc87)cc6)nc5c4)cc3[nH]2)cc1)c1cccc2ccccc21 ZINC000008399907 553002598 /nfs/dbraw/zinc/00/25/98/553002598.db2.gz XYWXRUCWYUFPII-UHFFFAOYSA-N 0 1 724.824 11.251 50 0 KKAAMN O=C(Nc1ccc(-c2nc3ccc(-c4ccc5nc(-c6ccc(NC(=O)c7cccc8ccccc87)cc6)[nH]c5c4)cc3[nH]2)cc1)c1cccc2ccccc21 ZINC000008399907 553002601 /nfs/dbraw/zinc/00/26/01/553002601.db2.gz XYWXRUCWYUFPII-UHFFFAOYSA-N 0 1 724.824 11.251 50 0 KKAAMN CCN(CC)CC(=O)N1N=C(c2c(=O)[nH]c3ccc(Br)cc3c2-c2ccccc2)C[C@@H]1c1ccc(Br)cc1 ZINC000008434884 553029062 /nfs/dbraw/zinc/02/90/62/553029062.db2.gz AUPYLVQVLTXCGR-AREMUKBSSA-N 0 1 636.388 6.740 50 0 KKAAMN COC(=O)[C@@](NC(=O)c1ccc(Cl)cc1Cl)(Nc1nc2ccc(C(C)C)cc2s1)C(F)(F)F ZINC000008445400 553054186 /nfs/dbraw/zinc/05/41/86/553054186.db2.gz UZAPHNNWVBVROL-HXUWFJFHSA-N 0 1 520.360 6.000 50 0 KKAAMN O=c1oc(-c2cc(Cl)ccc2NS(=O)(=O)c2ccc(-c3ccccc3)cc2)nc2ccc(Cl)cc21 ZINC000008453535 553066244 /nfs/dbraw/zinc/06/62/44/553066244.db2.gz FBKALJPTUBRXHB-UHFFFAOYSA-N 0 1 523.397 6.630 50 0 KKAAMN CCN(C(=O)[C@@H](NS(=O)(=O)c1ccc(Br)s1)c1ccccc1)c1ccc(C)c(C)c1 ZINC000008593903 553086888 /nfs/dbraw/zinc/08/68/88/553086888.db2.gz RDUNPFJIAVGHNG-NRFANRHFSA-N 0 1 507.475 5.200 50 0 KKAAMN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC[C@H](C(=O)N2CCN(c3cc(C)ccc3C)CC2)C1 ZINC000008597809 553094040 /nfs/dbraw/zinc/09/40/40/553094040.db2.gz ZXPOFMKVXXTLDN-DEOSSOPVSA-N 0 1 507.078 5.481 50 0 KKAAMN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC[C@H](C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)C1 ZINC000008597820 553094107 /nfs/dbraw/zinc/09/41/07/553094107.db2.gz RMTPABMEPSZLAP-QFIPXVFZSA-N 0 1 527.496 5.826 50 0 KKAAMN Cc1oc(-c2cccc(C)c2)nc1CN1CCC[C@H](C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)C1 ZINC000008597886 553094331 /nfs/dbraw/zinc/09/43/31/553094331.db2.gz ZCRBWOCNAMRUDA-DEOSSOPVSA-N 0 1 507.078 5.481 50 0 KKAAMN O=C1NC(=O)[C@]2(Cc3cccc(F)c3N3CC[C@@H](c4ccccc4)C[C@H]32)C(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000008695432 553121683 /nfs/dbraw/zinc/12/16/83/553121683.db2.gz MAXQVMWNRPMCRJ-WNARCLILSA-N 0 1 537.513 5.423 50 0 KKAAMN CC(C)c1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCCc4ccc(Cl)cc4)c(=O)c3c2)cc1 ZINC000008813758 553151055 /nfs/dbraw/zinc/15/10/55/553151055.db2.gz BTYXJFHTXYQREO-UHFFFAOYSA-N 0 1 524.042 5.078 50 0 KKAAMN COc1cc([C@@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2Cc2ccccc2Cl)ccc1O ZINC000008845397 553165540 /nfs/dbraw/zinc/16/55/40/553165540.db2.gz LGLMKNVHTJNXLD-RUZDIDTESA-N 0 1 510.377 5.857 50 0 KKAAMN CCCCOc1ccc([C@@H](C)NC(=O)C2CCN(Cc3nc(-c4ccc(CC)cc4)oc3C)CC2)cc1 ZINC000008878371 553175558 /nfs/dbraw/zinc/17/55/58/553175558.db2.gz LCNHHHNXAPAVOP-JOCHJYFZSA-N 0 1 503.687 6.481 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000009088181 553208932 /nfs/dbraw/zinc/20/89/32/553208932.db2.gz DZAUPJNSMSKIDR-ZQPSKXNCSA-N 0 1 506.602 5.284 50 0 KKAAMN CC(=O)[C@@H]1C(=C(O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000009109954 553210036 /nfs/dbraw/zinc/21/00/36/553210036.db2.gz RXRRNGSZPYTQOJ-PAHOUZJPSA-N 0 1 503.385 5.556 50 0 KKAAMN CC(C)(C)C(=O)[C@@H]1[C@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000009111386 553210290 /nfs/dbraw/zinc/21/02/90/553210290.db2.gz POGLVPOVFGUXSU-ZGQJUUMOSA-N 0 1 511.021 5.928 50 0 KKAAMN Cc1nn(-c2ccccc2)c2c1C(c1ccccc1)c1c3nc(-c4cccc5ccccc54)nn3cnc1O2 ZINC000009281423 553233417 /nfs/dbraw/zinc/23/34/17/553233417.db2.gz WRKNEDGVBCANBR-HHHXNRCGSA-N 0 1 506.569 6.725 50 0 KKAAMN COc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCN([C@@H]3CCCc4ccccc43)CC2)cc1OC ZINC000009345817 553244217 /nfs/dbraw/zinc/24/42/17/553244217.db2.gz FLHKCCSOWHLZHB-VSGBNLITSA-N 0 1 509.650 6.117 50 0 KKAAMN Cc1oc(-c2cccc(Br)c2)nc1CN1CCC(C(=O)N[C@@H](C)CCc2ccccc2)CC1 ZINC000009490453 553273650 /nfs/dbraw/zinc/27/36/50/553273650.db2.gz GZLJLNCKKWAIEI-IBGZPJMESA-N 0 1 510.476 5.762 50 0 KKAAMN COc1ccc(-c2[nH]c(-c3cccc(OC)c3)nc2SCC(=O)Nc2ccc(OC)c(OC)c2)cc1 ZINC000009674193 553294714 /nfs/dbraw/zinc/29/47/14/553294714.db2.gz JSAYPIHOVXKAMV-UHFFFAOYSA-N 0 1 505.596 5.509 50 0 KKAAMN Cc1ccc(-c2c3ccccc3c(=O)oc2C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000009678369 553295386 /nfs/dbraw/zinc/29/53/86/553295386.db2.gz JBNXQAMGNJCWOG-UHFFFAOYSA-N 0 1 516.041 5.364 50 0 KKAAMN COc1ccc(-c2nc(CN3CCC(C(=O)NCCCSC4CCCCC4)CC3)c(C)o2)cc1OC ZINC000009731703 553302682 /nfs/dbraw/zinc/30/26/82/553302682.db2.gz FHEFIYBILUMZEJ-UHFFFAOYSA-N 0 1 515.720 5.451 50 0 KKAAMN CN(Cc1cc2ccccc2s1)C(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)CN1Cc1ccccc1 ZINC000012246624 553355146 /nfs/dbraw/zinc/35/51/46/553355146.db2.gz DJSLHQJACHZONN-BVAGGSTKSA-N 0 1 512.704 6.171 50 0 KKAAMN Cc1ccc(-c2n[nH]c(SCC(=O)N3N=C(c4ccc5ccccc5c4)C[C@@H]3c3ccccc3)n2)cc1 ZINC000012529065 553385014 /nfs/dbraw/zinc/38/50/14/553385014.db2.gz HDOLJABKJUZVOG-HHHXNRCGSA-N 0 1 503.631 6.403 50 0 KKAAMN COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccc2C)cc1Cl ZINC000012634731 553406300 /nfs/dbraw/zinc/40/63/00/553406300.db2.gz DXQBGOYRZPJXNC-NRFANRHFSA-N 0 1 515.031 5.274 50 0 KKAAMN COc1ccc([C@@H](CNC(=O)c2ccccc2SCC(=O)Nc2ccc(F)cc2)N2CCCCC2)cc1 ZINC000012681270 553412729 /nfs/dbraw/zinc/41/27/29/553412729.db2.gz HSLLZQRCZXHTJS-AREMUKBSSA-N 0 1 521.658 5.522 50 0 KKAAMN COC(=O)c1sccc1NC(=O)CSc1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000012950930 553428354 /nfs/dbraw/zinc/42/83/54/553428354.db2.gz FRLWDVQDQKUMCL-UHFFFAOYSA-N 0 1 530.571 5.085 50 0 KKAAMN COc1cc2nc(SCc3ccc(C(F)(F)F)cc3)n3c(CC4CCCCC4)c(O)nc3c2cc1OC ZINC000012951488 553428527 /nfs/dbraw/zinc/42/85/27/553428527.db2.gz UGZFALDISCMXON-OAQYLSRUSA-N 0 1 531.600 6.585 50 0 KKAAMN COc1cc2nc(SCc3ccc(Cl)cc3Cl)n3c(Cc4ccccc4)c(O)nc3c2cc1OC ZINC000012951571 553428677 /nfs/dbraw/zinc/42/86/77/553428677.db2.gz MPKVANVVNMDSBG-OAQYLSRUSA-N 0 1 526.445 6.145 50 0 KKAAMN COc1cc2nc(SCc3ccc(Cl)cc3Cl)n3c(Cc4ccccc4)c(O)nc3c2cc1OC ZINC000012951567 553428780 /nfs/dbraw/zinc/42/87/80/553428780.db2.gz MPKVANVVNMDSBG-NRFANRHFSA-N 0 1 526.445 6.145 50 0 KKAAMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(OC(F)(F)F)cc3)ccc2OC)cc1 ZINC000013063036 553443530 /nfs/dbraw/zinc/44/35/30/553443530.db2.gz HFMIKUKFRLVIIB-UHFFFAOYSA-N 0 1 510.490 5.046 50 0 KKAAMN COc1cc(OC)c(-c2nc(-c3ccccc3)c(-c3ccc(-c4ccccc4)cc3)[nH]2)cc1Br ZINC000013644421 553479739 /nfs/dbraw/zinc/47/97/39/553479739.db2.gz FPMMYAOKEDNLLC-UHFFFAOYSA-N 0 1 511.419 7.857 50 0 KKAAMN COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c(OC)c1 ZINC000014965418 553522575 /nfs/dbraw/zinc/52/25/75/553522575.db2.gz NBTNHSGBRGTFJS-UHFFFAOYSA-N 0 1 568.678 5.943 50 0 in-vitro KKAAMN CCOc1ccc(NC(=O)c2c(NC(=O)CNCc3ccccc3)sc3c2CC[C@H](C(C)(C)C)C3)cc1 ZINC000015946762 553544632 /nfs/dbraw/zinc/54/46/32/553544632.db2.gz KNZXJFFWJVKDPM-NRFANRHFSA-N 0 1 519.711 6.278 50 0 KKAAMN CC(=O)[C@@H]1C(=C(O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3c4ccccc4ccc3N12 ZINC000015999253 553549660 /nfs/dbraw/zinc/54/96/60/553549660.db2.gz JNONEFZBHJQXSE-FQNXFSSYSA-N 0 1 519.000 6.055 50 0 KKAAMN COc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(Nc2nc(C)cc(Nc3ccccc3)n2)cc1 ZINC000017013654 553586237 /nfs/dbraw/zinc/58/62/37/553586237.db2.gz PDZDEJAYTAJNDP-UHFFFAOYSA-N 0 1 517.655 6.379 50 0 KKAAMN COc1ccc(C(O)=C2[C@@H](C(=O)c3ccc(OC(C)=O)cc3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000070680974 553604862 /nfs/dbraw/zinc/60/48/62/553604862.db2.gz YJQIXJWNMSZHIL-RCFASBGUSA-N 0 1 584.628 5.477 50 0 biogenic KKAAMN Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccc(CC(C)C)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000070681078 553604885 /nfs/dbraw/zinc/60/48/85/553604885.db2.gz VOGAWMZZDGLQNQ-QVJCSHTLSA-N 0 1 566.701 7.050 50 0 biogenic KKAAMN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(OCCC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000018152800 553606299 /nfs/dbraw/zinc/60/62/99/553606299.db2.gz YOUZGMQPDKYUSK-NHKHRBQYSA-N 0 1 530.621 5.714 50 0 KKAAMN CCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000018156617 553606646 /nfs/dbraw/zinc/60/66/46/553606646.db2.gz QQLFJLVMQCIPOZ-FCEKVYKBSA-N 0 1 500.595 5.542 50 0 KKAAMN CCCc1nc2ccccc2c(NC(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1CC ZINC000019805767 553617655 /nfs/dbraw/zinc/61/76/55/553617655.db2.gz WCFJHYXCMVQEPM-UHFFFAOYSA-N 0 1 506.694 6.095 50 0 KKAAMN CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(c4cccc(CC)c4NC3=O)[C@]23c2ccccc2NC3=O)c1 ZINC000070700500 553618503 /nfs/dbraw/zinc/61/85/03/553618503.db2.gz GLWRMFMMGBCTKK-MRPYTORDSA-N 0 1 535.644 5.052 50 0 biogenic KKAAMN COc1cccc(-c2cc(C(F)(F)F)nc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)c1 ZINC000019894411 553632090 /nfs/dbraw/zinc/63/20/90/553632090.db2.gz JYGYJMCMSHMLNJ-UHFFFAOYSA-N 0 1 504.556 6.083 50 0 KKAAMN O=C([O-])[C@@H](c1c[nH]c2cc(Br)ccc21)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020677837 553687749 /nfs/dbraw/zinc/68/77/49/553687749.db2.gz SJVRYQIZJKYBCC-AREMUKBSSA-N 0 1 504.428 5.463 50 0 KKAAMN CC1(C)CC(NC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)ccc2Cl)CC(C)(C)[NH2+]1 ZINC000095351733 553701006 /nfs/dbraw/zinc/70/10/06/553701006.db2.gz ULABRGXBZUDRQZ-UHFFFAOYSA-N 0 1 518.001 5.199 50 0 KKAAMN O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4ccc(NC(=O)c5cccc6ccccc65)cc4)cc3[nH]2)cc1)c1ccc(NC(=O)c2cccc3ccccc32)cc1 ZINC000095755422 553713204 /nfs/dbraw/zinc/71/32/04/553713204.db2.gz LCQSIPGMILQWBX-UHFFFAOYSA-N 0 1 770.849 10.546 50 0 KKAAMN COc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022852780 553761501 /nfs/dbraw/zinc/76/15/01/553761501.db2.gz QQIHSKSLVGRWFL-MHZLTWQESA-N 0 1 525.678 5.310 50 0 KKAAMN Cc1nc2sc([C@@H](c3ccc(C)cc3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c([O-])n2n1 ZINC000022852755 553761597 /nfs/dbraw/zinc/76/15/97/553761597.db2.gz ZVKWTZAEPOMTJJ-HHHXNRCGSA-N 0 1 509.679 5.610 50 0 KKAAMN CCC(C)(C)c1ccc(Oc2ccc(NC(=O)c3cc(I)c4ccccc4c3O)cc2)cc1 ZINC000097940240 553764149 /nfs/dbraw/zinc/76/41/49/553764149.db2.gz SUTRXPHYKZXUGH-UHFFFAOYSA-N 0 1 551.424 7.882 50 0 KKAAMN Cc1ccc(-c2ccc(OC[C@H](O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c(C)c2)cc1 ZINC000022926818 553767463 /nfs/dbraw/zinc/76/74/63/553767463.db2.gz FBIBNJBKJMGGMY-JGCGQSQUSA-N 0 1 506.690 6.117 50 0 KKAAMN Cc1ccc(-c2cc(C(=O)NCCCN3CCN(CCCNC(=O)c4cc(-c5ccc(C)c(C)c5)nc5ccccc54)CC3)c3ccccc3n2)cc1C ZINC000097949281 553801025 /nfs/dbraw/zinc/80/10/25/553801025.db2.gz MIZYOEWHXCJKJR-UHFFFAOYSA-N 0 1 718.946 7.908 50 0 KKAAMN CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1cc(C(F)(F)F)ccc1N1CCN(Cc3ccccc3)C[C@@H]12 ZINC000025184656 553805745 /nfs/dbraw/zinc/80/57/45/553805745.db2.gz JGIYYOLCDWVHMV-IAPPQJPRSA-N 0 1 504.556 5.361 50 0 KKAAMN O=C(Nc1cccc([C@@H]2NC[C@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)c1)c1ccc(Cl)cc1 ZINC000025462503 553809467 /nfs/dbraw/zinc/80/94/67/553809467.db2.gz WNWZXPIYKLTWKS-YWEHKCAJSA-N 0 1 512.440 7.552 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccc(N(C)C)cc5)nc4c32)cc1 ZINC000097954065 553820952 /nfs/dbraw/zinc/82/09/52/553820952.db2.gz IZJIHTITNFHUMZ-AREMUKBSSA-N 0 1 529.604 5.646 50 0 KKAAMN Cc1nn(-c2ccccc2)c2c1C(c1ccccc1)c1c3nc(-c4ccc(Cl)cc4Cl)nn3cnc1O2 ZINC000097954677 553824714 /nfs/dbraw/zinc/82/47/14/553824714.db2.gz KSDSGEOLWUDTIK-HSZRJFAPSA-N 0 1 525.399 6.878 50 0 KKAAMN O=C(Oc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000097954679 553824769 /nfs/dbraw/zinc/82/47/69/553824769.db2.gz LMJKUQKVRQKBDU-VJGNERBWSA-N 0 1 542.950 5.749 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccc(F)cc5)nc4c32)cc1OC ZINC000097954724 553825001 /nfs/dbraw/zinc/82/50/01/553825001.db2.gz XVMLXDNIYDWVIF-RUZDIDTESA-N 0 1 534.551 5.728 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccc(Cl)cc4)c3Oc3ncn4nc(-c5ccccc5O)nc4c32)cc1 ZINC000097956256 553837394 /nfs/dbraw/zinc/83/73/94/553837394.db2.gz XKIUFZYKHKTQDA-DEOSSOPVSA-N 0 1 536.979 5.939 50 0 KKAAMN COc1ccccc1C1c2c(C)nn(-c3cccc(Cl)c3)c2Oc2ncn3nc(-c4cccnc4)nc3c21 ZINC000097956726 553841116 /nfs/dbraw/zinc/84/11/16/553841116.db2.gz DNZNOGLCHCJTNV-HSZRJFAPSA-N 0 1 521.968 5.628 50 0 KKAAMN O=C1S/C(=C\c2cc(I)c(O)c(I)c2)C(=O)N1Cc1c(F)cccc1Cl ZINC000029492926 553846136 /nfs/dbraw/zinc/84/61/36/553846136.db2.gz XWMXRZUWUMBVOC-NSIKDUERSA-N 0 1 615.589 5.630 50 0 KKAAMN COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5cc(I)c(O)c(I)c5)c(=O)n42)c2ccccc2CC3)c1 ZINC000097962528 553884126 /nfs/dbraw/zinc/88/41/26/553884126.db2.gz UHUZCDBUBAWGAK-YXDQGSNCSA-N 0 1 718.354 5.242 50 0 KKAAMN CC(C)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963434 553890109 /nfs/dbraw/zinc/89/01/09/553890109.db2.gz UBPVCQDCMZGWDY-SFTDATJTSA-N 0 1 608.855 6.710 50 0 KKAAMN CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCN(C(C)C)C3)cc1 ZINC000097963428 553890143 /nfs/dbraw/zinc/89/01/43/553890143.db2.gz LSZYBVNBUFABMJ-UHFFFAOYSA-N 0 1 596.844 6.854 50 0 KKAAMN CSc1cccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCCN3CCN(Cc4ccccc4)CC3)C2=S)c1 ZINC000033357098 553946347 /nfs/dbraw/zinc/94/63/47/553946347.db2.gz AIQSOBWIXQIKFL-GDLZYMKVSA-N 0 1 622.260 5.601 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC=C2c3ccccc3C(=O)N(c3ccc(C)c(C)c3)C2=O)c1 ZINC000097980485 553988989 /nfs/dbraw/zinc/98/89/89/553988989.db2.gz NFNPBIHQZNKEJS-ZXVVBBHZSA-N 0 1 553.640 5.753 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3cccc(C)c3)C2=O)c1 ZINC000097980469 553989026 /nfs/dbraw/zinc/98/90/26/553989026.db2.gz IEKACRKLBCWCSP-LGUFXXKBSA-N 0 1 539.613 5.444 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1ccc(OC)c(NC(=O)c2cccc(NS(=O)(=O)/C=C/c3ccccc3)c2)c1 ZINC000097980609 553989995 /nfs/dbraw/zinc/98/99/95/553989995.db2.gz YZVUXKYPMKPZTE-ISLYRVAYSA-N 0 1 593.683 5.170 50 0 KKAAMN Cc1cc(C)c(-c2csc(N[P@@](=O)(/C=C(/Cl)c3ccccc3)/C=C(\Cl)c3ccccc3)n2)c(C)c1 ZINC000097983578 554010304 /nfs/dbraw/zinc/01/03/04/554010304.db2.gz ARVPBONQIXHXBI-DRPBVWSQSA-N 0 1 539.468 9.900 50 0 KKAAMN O=P1(Nc2ccc(Cl)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)C=C(c2ccccc2)OC(c2ccccc2)=C1 ZINC000097983933 554013195 /nfs/dbraw/zinc/01/31/95/554013195.db2.gz JHKAUDNLFDFUBL-UHFFFAOYSA-N 0 1 583.433 8.512 50 0 KKAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000034830301 554015269 /nfs/dbraw/zinc/01/52/69/554015269.db2.gz LYTUNMVFZHHQPS-FNZWTVRRSA-N 0 1 508.087 5.031 50 0 KKAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCCN(C(=O)CCC2CCCC2)CC1 ZINC000034830392 554015537 /nfs/dbraw/zinc/01/55/37/554015537.db2.gz MNYODBKMFQHKQZ-MUAVYFROSA-N 0 1 507.744 5.424 50 0 KKAAMN CCCC[C@H](CC)C(=O)N1CCCN(C(=O)[C@H](C)N2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830411 554015599 /nfs/dbraw/zinc/01/55/99/554015599.db2.gz QDGPRDNTJMHSBT-QONNDPFASA-N 0 1 509.760 5.670 50 0 KKAAMN Cc1ccccc1C(=O)N1CCCN(C(=O)[C@H](C)N2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830401 554015658 /nfs/dbraw/zinc/01/56/58/554015658.db2.gz LUQQPNLBSSZAGB-FIPFOOKPSA-N 0 1 501.696 5.076 50 0 KKAAMN CCN1CCN(c2c(CN(CC(C)C)C(=O)c3ccccc3Cl)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831323 554016888 /nfs/dbraw/zinc/01/68/88/554016888.db2.gz GXHJUWQBMCWOJN-UHFFFAOYSA-N 0 1 512.073 5.414 50 0 KKAAMN CCCC[C@@H](CC)C(=O)N(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(C(C)C)CC1)CC(C)C ZINC000034835332 554019602 /nfs/dbraw/zinc/01/96/02/554019602.db2.gz VJUCPBBILIQJNK-RUZDIDTESA-N 0 1 527.773 6.305 50 0 KKAAMN CCCC[C@H](CC)C(=O)N(CCC)Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(C(C)C)CC1 ZINC000034835430 554019888 /nfs/dbraw/zinc/01/98/88/554019888.db2.gz LBEACRNNGLMSJO-DEOSSOPVSA-N 0 1 513.746 6.059 50 0 KKAAMN CCN1CCN(c2c(CN(C(=O)c3ccc(C(C)(C)C)cc3)C3CC3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034835612 554019924 /nfs/dbraw/zinc/01/99/24/554019924.db2.gz FIRGEPGPESVBPS-UHFFFAOYSA-N 0 1 517.693 5.564 50 0 KKAAMN CN1CC2=C(N=C3SC=C(c4ccccc4)N3[C@@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 ZINC000034850660 554021315 /nfs/dbraw/zinc/02/13/15/554021315.db2.gz SWRQOJMJJGLIMD-COHPBREESA-N 0 1 516.497 7.735 50 0 KKAAMN COc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2SCC(=O)Nc2ccc3c(c2)OCO3)cc1OC ZINC000097986778 554025466 /nfs/dbraw/zinc/02/54/66/554025466.db2.gz OIKMNSHIEXSOHQ-UHFFFAOYSA-N 0 1 523.998 5.874 50 0 KKAAMN Cc1nc(-c2coc3cc(OCc4nc5ccc(Cl)cn5c4Br)cc(O)c3c2=O)cs1 ZINC000097987853 554027566 /nfs/dbraw/zinc/02/75/66/554027566.db2.gz ZWBSTGXGCCJSIP-UHFFFAOYSA-N 0 1 518.776 5.573 50 0 KKAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cc(Br)cc(C)c2OC)c1 ZINC000097995669 554036783 /nfs/dbraw/zinc/03/67/83/554036783.db2.gz FMKDABXNVSSLBF-UHFFFAOYSA-N 0 1 566.496 5.517 50 0 KKAAMN COc1ccc(Cc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)[C@H]4c2ccc(OC)c(OC)c2)cc1 ZINC000098000007 554047748 /nfs/dbraw/zinc/04/77/48/554047748.db2.gz TXZIAOSXIRJVJM-MUUNZHRXSA-N 0 1 560.614 5.521 50 0 KKAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(C)c(C)c1)C(c1ccc(Br)cc1)=N2 ZINC000035397205 554047799 /nfs/dbraw/zinc/04/77/99/554047799.db2.gz OGOYARMOYGCZMF-UHFFFAOYSA-N 0 1 513.505 5.451 50 0 KKAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1cccc(Cl)c1C)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000035397174 554047862 /nfs/dbraw/zinc/04/78/62/554047862.db2.gz YQXYTWMYEHFGHK-UHFFFAOYSA-N 0 1 511.135 6.331 50 0 KKAAMN CCN(CC)P1(=O)Oc2ccc3cccc(c3c2)OP(=O)(N(CC)CC)Oc2cccc3ccc(cc32)O1 ZINC000098003746 554056622 /nfs/dbraw/zinc/05/66/22/554056622.db2.gz HPOFFJSEBXJBLU-UHFFFAOYSA-N 0 1 554.520 8.122 50 0 KKAAMN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CCN2CCCCC2)C(=O)NC(C)(C)C)s1 ZINC000035808323 554077165 /nfs/dbraw/zinc/07/71/65/554077165.db2.gz ISDPQZXYQZIEPZ-UHFFFAOYSA-N 0 1 502.700 5.020 50 0 KKAAMN CCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COCC(C)C ZINC000035842586 554080935 /nfs/dbraw/zinc/08/09/35/554080935.db2.gz BEPRMVVJKLGBJD-GDLZYMKVSA-N 0 1 535.773 5.782 50 0 KKAAMN CC[C@H](O)CN(CCCOC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1 ZINC000035842607 554081290 /nfs/dbraw/zinc/08/12/90/554081290.db2.gz MJACKRSEKSYCSY-MHZLTWQESA-N 0 1 507.719 5.146 50 0 KKAAMN O=C(NCc1cccc(F)c1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12 ZINC000035871970 554086222 /nfs/dbraw/zinc/08/62/22/554086222.db2.gz PCRSEICAIJDUFM-AOYPEHQESA-N 0 1 515.526 5.163 50 0 KKAAMN O=C(NCc1ccc(F)cc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12 ZINC000035908043 554092408 /nfs/dbraw/zinc/09/24/08/554092408.db2.gz LRNXZRZFTIELAZ-AOYPEHQESA-N 0 1 515.526 5.163 50 0 KKAAMN CCOc1ccc([C@@H]2N[C@H](c3ccc(OCC)cc3)C3C(=O)C2[C@@H](c2ccc(OCC)cc2)N[C@H]3c2ccc(OCC)cc2)cc1 ZINC000035955956 554107843 /nfs/dbraw/zinc/10/78/43/554107843.db2.gz KEVVQDVLUNYZPF-LNJUUQFZSA-N 0 1 620.790 7.554 50 0 KKAAMN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CCN2CCCC2)C(=O)c2ccccc2Cl)cc1OC ZINC000098019721 554114121 /nfs/dbraw/zinc/11/41/21/554114121.db2.gz AEHHGIDCCITWOD-UHFFFAOYSA-N 0 1 568.114 5.068 50 0 KKAAMN CCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1cccc(F)c1 ZINC000098020090 554116539 /nfs/dbraw/zinc/11/65/39/554116539.db2.gz CESBRZXUVLLPIU-UHFFFAOYSA-N 0 1 540.510 7.487 50 0 KKAAMN Cc1ccc2[nH]c(SCC(=O)Nc3ccc(-c4ccc(NC(=O)CSc5nc6ccc(C)cc6[nH]5)cc4)cc3)nc2c1 ZINC000098045200 554131297 /nfs/dbraw/zinc/13/12/97/554131297.db2.gz UPIHPXMTPSDCID-UHFFFAOYSA-N 0 1 592.750 7.185 50 0 KKAAMN Cc1ccc2nc(SCC(=O)Nc3ccc(-c4ccc(NC(=O)CSc5nc6ccc(C)cc6[nH]5)cc4)cc3)[nH]c2c1 ZINC000098045200 554131300 /nfs/dbraw/zinc/13/13/00/554131300.db2.gz UPIHPXMTPSDCID-UHFFFAOYSA-N 0 1 592.750 7.185 50 0 KKAAMN CCCCOc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(OC)c(Cl)c2)cc1 ZINC000098049886 554169753 /nfs/dbraw/zinc/16/97/53/554169753.db2.gz HHENJCLBKRTFDY-DQEYMECFSA-N 0 1 642.750 7.894 50 0 KKAAMN COc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2cccc(Br)c2)cc1Cl ZINC000098049893 554169785 /nfs/dbraw/zinc/16/97/85/554169785.db2.gz BPVDEFDBNNODLT-RTWAWAEBSA-N 0 1 649.539 7.477 50 0 KKAAMN CCOc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cc(Cl)cc(Cl)c2)cc1 ZINC000098049948 554170375 /nfs/dbraw/zinc/17/03/75/554170375.db2.gz HTEDPRISVQKJTI-FCHUYYIVSA-N 0 1 619.115 7.758 50 0 KKAAMN CCOc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000098049938 554170390 /nfs/dbraw/zinc/17/03/90/554170390.db2.gz HATLHKXVGYEPPY-VXKWHMMOSA-N 0 1 629.121 7.214 50 0 KKAAMN COc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(C)c2)cc1Br ZINC000098049961 554170730 /nfs/dbraw/zinc/17/07/30/554170730.db2.gz TURSNAHHBDFBJS-PKTZIBPZSA-N 0 1 643.148 7.441 50 0 KKAAMN COc1ccc(OC)c([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cc(Cl)ccc2C)c1 ZINC000098049984 554170816 /nfs/dbraw/zinc/17/08/16/554170816.db2.gz JMEDVICHYWTRPT-GOTSBHOMSA-N 0 1 614.696 7.032 50 0 KKAAMN O=C1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@@H](c2cccs2)N1c1ccc(Cl)c(Cl)c1 ZINC000098050085 554172037 /nfs/dbraw/zinc/17/20/37/554172037.db2.gz POKCVYFJWQBXHE-QZTJIDSGSA-N 0 1 581.091 7.421 50 0 KKAAMN CCOc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(F)cc2)cc1 ZINC000098050138 554172313 /nfs/dbraw/zinc/17/23/13/554172313.db2.gz VAADGJPKVYCKQZ-FGZHOGPDSA-N 0 1 568.215 6.591 50 0 KKAAMN O=C1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@H](c2cccs2)N1c1ccc(Cl)cc1 ZINC000098050141 554172356 /nfs/dbraw/zinc/17/23/56/554172356.db2.gz AKVASPZVXGNXLB-ROUUACIJSA-N 0 1 546.646 6.768 50 0 KKAAMN COc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2cccs2)cc1Cl ZINC000098050152 554172595 /nfs/dbraw/zinc/17/25/95/554172595.db2.gz JACDAKAZFAWVCW-MOPGFXCFSA-N 0 1 576.672 6.776 50 0 KKAAMN O=C(c1ccc(F)cc1)N(CCN1CCCCC1)Cc1csc(COc2cc(Cl)ccc2Cl)n1 ZINC000036124400 554196600 /nfs/dbraw/zinc/19/66/00/554196600.db2.gz WZJSPUPNEJAVEY-UHFFFAOYSA-N 0 1 522.473 6.296 50 0 KKAAMN COc1ccc(Oc2c(CN(CC(C)C)C[C@@H](O)COc3ccccc3)c(C)nn2-c2ccccc2)cc1 ZINC000036302340 554212309 /nfs/dbraw/zinc/21/23/09/554212309.db2.gz LLJVVLLXLBRCDB-AREMUKBSSA-N 0 1 515.654 5.880 50 0 KKAAMN COc1ccc(Oc2c(CN(CC(C)C)C[C@@H](O)COc3ccccc3C)c(C)nn2-c2ccccc2)cc1 ZINC000036302372 554212445 /nfs/dbraw/zinc/21/24/45/554212445.db2.gz LKPBEQOOSPQNNS-HHHXNRCGSA-N 0 1 529.681 6.188 50 0 KKAAMN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CN(C[C@H](O)COCc1ccccc1)C(C)C ZINC000036304094 554214517 /nfs/dbraw/zinc/21/45/17/554214517.db2.gz XOIDUNNOQHHDQY-SANMLTNESA-N 0 1 521.608 6.039 50 0 KKAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@@H](O)COC(C)(C)C ZINC000036304969 554214950 /nfs/dbraw/zinc/21/49/50/554214950.db2.gz ISGQHFPSGRKVEV-OAQYLSRUSA-N 0 1 502.055 5.157 50 0 KKAAMN COc1ccc(C2=NN(C(=O)CN3CCC(Cc4ccccc4)CC3)[C@@H](c3ccccc3C)C2)c(OC)c1 ZINC000036344938 554223332 /nfs/dbraw/zinc/22/33/32/554223332.db2.gz GACXGWADESKLJV-SSEXGKCCSA-N 0 1 511.666 5.645 50 0 KKAAMN CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc21 ZINC000040450267 554285138 /nfs/dbraw/zinc/28/51/38/554285138.db2.gz JXIFBZKJGQJHGS-UHFFFAOYSA-N 0 1 511.747 5.221 50 0 KKAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000057222979 554353014 /nfs/dbraw/zinc/35/30/14/554353014.db2.gz DMQQVARWOXIPTJ-UHFFFAOYSA-N 0 1 512.437 5.745 50 0 KKAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cccc(Br)c2)c1 ZINC000057222975 554353035 /nfs/dbraw/zinc/35/30/35/554353035.db2.gz JRKSSAWEXANLPT-UHFFFAOYSA-N 0 1 522.443 5.200 50 0 KKAAMN CCCOc1ccc(C(=O)Nc2cc(C(=O)OCC)ccc2N2CCN(Cc3ccccc3)CC2)cc1 ZINC000057222921 554353108 /nfs/dbraw/zinc/35/31/08/554353108.db2.gz QIOUUEKJQZDCFI-UHFFFAOYSA-N 0 1 501.627 5.227 50 0 KKAAMN O=C(Cc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2nccc(/C=C/c3ccccc3Cl)n2)cc1 ZINC000100399682 554372617 /nfs/dbraw/zinc/37/26/17/554372617.db2.gz NBIRYXCSFQUMCT-JXMROGBWSA-N 0 1 539.444 5.936 50 0 KKAAMN COc1ccc([C@H]2C3=C(C[C@@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000100425466 554386587 /nfs/dbraw/zinc/38/65/87/554386587.db2.gz QVQULIOXIUHIFF-KCEHZKJRSA-N 0 1 603.933 9.519 50 0 KKAAMN COc1ccc([C@H]2C3=C(C[C@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000100425474 554386606 /nfs/dbraw/zinc/38/66/06/554386606.db2.gz QVQULIOXIUHIFF-ICACTRECSA-N 0 1 603.933 9.519 50 0 KKAAMN O=C(c1ccc(Cl)c(Cl)c1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000100425514 554386618 /nfs/dbraw/zinc/38/66/18/554386618.db2.gz MYBHOLYAHAUXMQ-XBBWARJSSA-N 0 1 563.868 9.104 50 0 KKAAMN O=C(N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1ccc(Cl)cc1Cl)C(F)(F)F ZINC000100425717 554387088 /nfs/dbraw/zinc/38/70/88/554387088.db2.gz PPVWINMLXBPWBJ-PUAOIOHZSA-N 0 1 531.361 8.106 50 0 KKAAMN COc1cc([C@@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(C)=O)cc(OC)c1OC ZINC000100425902 554387275 /nfs/dbraw/zinc/38/72/75/554387275.db2.gz JCJVTMQOEIDULR-URAOTHONSA-N 0 1 512.606 6.591 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000100426449 554388424 /nfs/dbraw/zinc/38/84/24/554388424.db2.gz FEAVEDJQLGUJBU-JEHQLEFQSA-N 0 1 614.739 7.860 50 0 KKAAMN O=C(N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccc(Cl)c1)C(F)(F)F ZINC000100426842 554389177 /nfs/dbraw/zinc/38/91/77/554389177.db2.gz HOSLRBUSDSJILQ-CRICUBBOSA-N 0 1 531.361 8.106 50 0 KKAAMN CCCCCC(=O)N1c2cc(C)ccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000100427134 554389466 /nfs/dbraw/zinc/38/94/66/554389466.db2.gz HTAHLXXJRMCQKD-IANOAQMISA-N 0 1 526.652 8.273 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(F)cc1 ZINC000100427005 554389495 /nfs/dbraw/zinc/38/94/95/554389495.db2.gz XWCCDTUDGOVXJH-FLASPHMUSA-N 0 1 542.651 7.973 50 0 KKAAMN COc1cc(C[C@@H]2c3cc(OC)c(OC)cc3CCN2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@@H](C3)N(C)CC4)cc1OC ZINC000059364559 554392812 /nfs/dbraw/zinc/39/28/12/554392812.db2.gz ZCTJIMXXSXQXRI-LOYHVIPDSA-N 0 1 696.841 7.063 50 0 biogenic KKAAMN Cc1ccc(F)cc1N1C(=O)C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@@H]1c1ccc2c(c1)OCO2 ZINC000100578045 554423964 /nfs/dbraw/zinc/42/39/64/554423964.db2.gz YAMVVGQQVHIQAK-FCHUYYIVSA-N 0 1 582.198 6.229 50 0 KKAAMN O=C1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@@H](c2ccc(F)cc2)N1c1cc(Cl)cc(Cl)c1 ZINC000100582830 554425249 /nfs/dbraw/zinc/42/52/49/554425249.db2.gz HFNQXHHBUZYJMT-WOJBJXKFSA-N 0 1 593.052 7.499 50 0 KKAAMN Cc1ccc(Cl)cc1N1C(=O)C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@@H]1c1ccc(F)cc1 ZINC000100584376 554426152 /nfs/dbraw/zinc/42/61/52/554426152.db2.gz CAEHMNZMHBHXPW-LEWJYISDSA-N 0 1 572.634 7.154 50 0 KKAAMN Cc1ccc(Cl)cc1N1C(=O)C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@H]1c1cccc(F)c1 ZINC000100584616 554426156 /nfs/dbraw/zinc/42/61/56/554426156.db2.gz KQGVFQWANVKWPB-RTWAWAEBSA-N 0 1 572.634 7.154 50 0 KKAAMN C[C@H](Oc1cc(-n2cnc3ccc(CN4CCN(C)CC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F ZINC000059715991 554426253 /nfs/dbraw/zinc/42/62/53/554426253.db2.gz ZHJGWYRLJUCMRT-KRWDZBQOSA-N 0 1 543.615 5.092 50 0 investigational KKAAMN COc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1OC ZINC000100586071 554426691 /nfs/dbraw/zinc/42/66/91/554426691.db2.gz HPIRVQKBFWQCIQ-GOTSBHOMSA-N 0 1 614.696 7.032 50 0 KKAAMN COc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(F)cc2)cc1OC ZINC000100586052 554426729 /nfs/dbraw/zinc/42/67/29/554426729.db2.gz OTRAZMACFDGYAP-YADHBBJMSA-N 0 1 584.214 6.209 50 0 KKAAMN COc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1OC ZINC000100586069 554426751 /nfs/dbraw/zinc/42/67/51/554426751.db2.gz HPIRVQKBFWQCIQ-PKTZIBPZSA-N 0 1 614.696 7.032 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(C(=O)OC)cc1 ZINC000100750468 554466213 /nfs/dbraw/zinc/46/62/13/554466213.db2.gz ZVYPWJUQUIOWIS-WNSROMTISA-N 0 1 582.697 7.621 50 0 biogenic KKAAMN CCCCCc1ccc(C(=O)[C@@H]2[C@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000100846726 554491478 /nfs/dbraw/zinc/49/14/78/554491478.db2.gz OWOQNXIYDYCWDZ-SAHGSRCJSA-N 0 1 539.075 6.635 50 0 KKAAMN O=C(Nc1ccc(Cl)cc1)[C@H]1[C@@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000100848325 554491836 /nfs/dbraw/zinc/49/18/36/554491836.db2.gz HBDFOCFVBQODHH-VGBJTSDXSA-N 0 1 546.026 5.952 50 0 KKAAMN Cc1nn(-c2ccccc2)c2nc(Cc3ccc(C)cc3)nc(N3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)c12 ZINC000100900891 554514376 /nfs/dbraw/zinc/51/43/76/554514376.db2.gz OBSZHGCVJUVLMM-UHFFFAOYSA-N 0 1 556.636 6.364 50 0 KKAAMN O=C(c1ccc(Cl)cc1)[C@@H]1C(=C(O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000100953583 554538152 /nfs/dbraw/zinc/53/81/52/554538152.db2.gz JEGCPPWIGKYPJP-UUQNIDNHSA-N 0 1 531.011 6.196 50 0 KKAAMN COc1cc(Br)cc2c1OC1(CCN(Cc3ccccc3)CC1)N1N=C(c3ccc(F)cc3)C[C@H]21 ZINC000100989559 554549881 /nfs/dbraw/zinc/54/98/81/554549881.db2.gz MGHYPHNKHXMCAM-RUZDIDTESA-N 0 1 536.445 6.133 50 0 KKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000101064295 554570982 /nfs/dbraw/zinc/57/09/82/554570982.db2.gz VLYVFFQCIYDANP-KALPRAJFSA-N 0 1 547.836 5.665 50 0 KKAAMN O=C(COc1ccc(-c2csc3ccccc23)cc1C[N@H+]1CCc2ccccc2C1)NCc1nnc(-c2ccccc2)o1 ZINC000101068157 554573294 /nfs/dbraw/zinc/57/32/94/554573294.db2.gz GSOXQWRGLWIBNN-UHFFFAOYSA-N 0 1 586.717 6.872 50 0 KKAAMN O=C(COc1ccc(-c2csc3ccccc23)cc1CN1CCc2ccccc2C1)NCc1nnc(-c2ccccc2)o1 ZINC000101068157 554573297 /nfs/dbraw/zinc/57/32/97/554573297.db2.gz GSOXQWRGLWIBNN-UHFFFAOYSA-N 0 1 586.717 6.872 50 0 KKAAMN Brc1ccc2c(c1)[C@H]1CC(c3ccc(-c4ccccc4)cc3)=NN1C1(CCN(Cc3ccccc3)CC1)O2 ZINC000101092052 554582852 /nfs/dbraw/zinc/58/28/52/554582852.db2.gz BUAFUNGFMOWTNA-WJOKGBTCSA-N 0 1 564.527 7.652 50 0 KKAAMN O=C(CN1C(=O)/C(=C\c2cccc(Br)c2)Sc2ccccc21)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000101097704 554584906 /nfs/dbraw/zinc/58/49/06/554584906.db2.gz HSCFWTZLQDYWMT-TURZUDJPSA-N 0 1 626.020 5.911 50 0 KKAAMN Cc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)c(C2CCN(C(=O)c3cccc(Br)c3)CC2)n1 ZINC000101098396 554585093 /nfs/dbraw/zinc/58/50/93/554585093.db2.gz UCBIQKQJLXWMML-UHFFFAOYSA-N 0 1 553.545 5.263 50 0 KKAAMN COc1cc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc(OC)c1OC ZINC000101101264 554588194 /nfs/dbraw/zinc/58/81/94/554588194.db2.gz SCHXHXIXYSVFRI-IIMAJNMQSA-N 0 1 524.617 6.673 50 0 KKAAMN CCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000101111011 554641646 /nfs/dbraw/zinc/64/16/46/554641646.db2.gz QUTMYCXWAXWEMC-CYXNTTPDSA-N 0 1 541.431 6.232 50 0 KKAAMN CCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000101112099 554641954 /nfs/dbraw/zinc/64/19/54/554641954.db2.gz WESRLCLWSYRRLZ-CYXNTTPDSA-N 0 1 506.986 5.579 50 0 KKAAMN CCOc1cc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000101123805 554644114 /nfs/dbraw/zinc/64/41/14/554644114.db2.gz DMWNFBDNJMRPTL-JBOQNHBVSA-N 0 1 520.585 5.715 50 0 KKAAMN CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000101123805 554644115 /nfs/dbraw/zinc/64/41/15/554644115.db2.gz DMWNFBDNJMRPTL-JBOQNHBVSA-N 0 1 520.585 5.715 50 0 KKAAMN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000101166592 554661055 /nfs/dbraw/zinc/66/10/55/554661055.db2.gz WSGXYDUGBGMQTN-FCEKVYKBSA-N 0 1 500.595 5.624 50 0 KKAAMN O=C(c1ccccc1)[C@@H]1C(=C(O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000101177073 554664939 /nfs/dbraw/zinc/66/49/39/554664939.db2.gz REYGPJKHQQHCIW-UUQNIDNHSA-N 0 1 531.011 6.196 50 0 KKAAMN O=C(c1ccco1)[C@@H]1[C@@H](C(=O)c2cccs2)N2c3ccc(Cl)cc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000101192312 554670839 /nfs/dbraw/zinc/67/08/39/554670839.db2.gz QOVJHQZGOYEURW-XHHBKWMTSA-N 0 1 527.001 5.851 50 0 KKAAMN O=C(c1ccco1)C1[C@@H](C(=O)c2cccs2)N2c3ccc(Cl)cc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000101192312 554670842 /nfs/dbraw/zinc/67/08/42/554670842.db2.gz QOVJHQZGOYEURW-XHHBKWMTSA-N 0 1 527.001 5.851 50 0 KKAAMN CC(C)(C)C(=O)[C@@H]1C(=C(O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000101208277 554677485 /nfs/dbraw/zinc/67/74/85/554677485.db2.gz FFFLNPZJGHOYDF-SQRAXXTESA-N 0 1 529.011 6.068 50 0 KKAAMN O=C(C[C@H]1C(=O)N(c2ccc(F)cc2)C(=S)N1CCCN1CCN(Cc2ccccc2)CC1)Nc1ccc(Cl)cc1 ZINC000101254867 554695920 /nfs/dbraw/zinc/69/59/20/554695920.db2.gz KYDREQSXADOZFY-NDEPHWFRSA-N 0 1 594.156 5.018 50 0 KKAAMN O=C(CCN1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000101341479 554735551 /nfs/dbraw/zinc/73/55/51/554735551.db2.gz JSKRKRYCNHXIAO-AREMUKBSSA-N 0 1 582.550 5.065 50 0 KKAAMN Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@H]2C)c(C)c1 ZINC000101341578 554735946 /nfs/dbraw/zinc/73/59/46/554735946.db2.gz KUGOJTZHVXDPIL-BTYSJIOQSA-N 0 1 569.768 5.072 50 0 KKAAMN Cc1cccc(/C=C2\Sc3ccc(C(=O)NCCCN4CCN(c5cccc(Cl)c5)CC4)cc3N(C)C2=O)c1 ZINC000101373737 554745474 /nfs/dbraw/zinc/74/54/74/554745474.db2.gz JSNKVRZQQKKDIP-CEUNXORHSA-N 0 1 561.151 5.700 50 0 KKAAMN CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CCN(Cc3ccccc3)C[C@@H]12 ZINC000101391721 554755453 /nfs/dbraw/zinc/75/54/53/554755453.db2.gz CSTFUZXEARCNQU-IXCJQBJRSA-N 0 1 549.900 5.759 50 0 KKAAMN 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CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000102788384 555068593 /nfs/dbraw/zinc/06/85/93/555068593.db2.gz BJXBBPALIOOKJA-OSPAZUARSA-N 0 1 528.652 8.226 50 0 KKAAMN COc1ccc(-c2cccc(-c3nc(CN4CCC(CCc5ccc(C(C)(C)C)cc5)CC4)cs3)c2)c(OC)c1OC ZINC000102830541 555078476 /nfs/dbraw/zinc/07/84/76/555078476.db2.gz YNADWYZEOXACKN-UHFFFAOYSA-N 0 1 584.826 8.645 50 0 KKAAMN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)C(=O)c1cccc(Br)c1 ZINC000102850434 555085484 /nfs/dbraw/zinc/08/54/84/555085484.db2.gz VEOMWWAFUPGFIZ-NRFANRHFSA-N 0 1 538.534 5.526 50 0 KKAAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)NC34CC5CC(CC(C5)C3)C4)[C@H]2c2ccc(F)cc2)C1 ZINC000102859529 555090034 /nfs/dbraw/zinc/09/00/34/555090034.db2.gz FGBKZKFXXGNEQT-UVZMICEWSA-N 0 1 513.657 7.770 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000102872487 555103184 /nfs/dbraw/zinc/10/31/84/555103184.db2.gz NNTIUAYUQKWPSI-NHRFMIRVSA-N 0 1 592.658 8.853 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000102872491 555103225 /nfs/dbraw/zinc/10/32/25/555103225.db2.gz NNTIUAYUQKWPSI-FLASPHMUSA-N 0 1 592.658 8.853 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C2[C@@H]1c1ccccc1Cl ZINC000102876418 555106213 /nfs/dbraw/zinc/10/62/13/555106213.db2.gz HHRVHDNNYJEPCB-UKPGIYTDSA-N 0 1 517.044 8.610 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@H]1c1ccccc1Cl ZINC000102879777 555108751 /nfs/dbraw/zinc/10/87/51/555108751.db2.gz VLKLAEJZMIDSMT-YUYWZBKDSA-N 0 1 555.162 9.768 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccnc1 ZINC000102880818 555109480 /nfs/dbraw/zinc/10/94/80/555109480.db2.gz AKEKJNGDSKBVIH-HEIROHQZSA-N 0 1 525.649 7.229 50 0 KKAAMN CCCCCOc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CCCCC)cc1 ZINC000102881251 555109755 /nfs/dbraw/zinc/10/97/55/555109755.db2.gz PXLOYJOUWJRGNZ-WJOKGBTCSA-N 0 1 502.699 8.628 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000102888989 555122721 /nfs/dbraw/zinc/12/27/21/555122721.db2.gz AAAJFWWGPFFRCY-NHKHRBQYSA-N 0 1 603.444 6.227 50 0 KKAAMN CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccs3)N3c4ccccc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102889614 555124291 /nfs/dbraw/zinc/12/42/91/555124291.db2.gz CEUVDOPQEYOOPU-IEMSDXTESA-N 0 1 558.703 6.947 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000102893965 555131981 /nfs/dbraw/zinc/13/19/81/555131981.db2.gz DCSMQSUQPJLMAR-FCEKVYKBSA-N 0 1 607.421 6.411 50 0 KKAAMN CS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCCCC3)c2)cc1 ZINC000102909103 555141895 /nfs/dbraw/zinc/14/18/95/555141895.db2.gz QMUGTEONBBSDAC-UHFFFAOYSA-N 0 1 616.083 5.806 50 0 KKAAMN COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@H]3c2ccc(F)cc2)c1 ZINC000102925376 555149715 /nfs/dbraw/zinc/14/97/15/555149715.db2.gz VZBQJXNIUMYPHG-BNHRFMORSA-N 0 1 518.588 7.698 50 0 KKAAMN COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@H]3c2ccc(F)cc2)c1 ZINC000102925379 555149770 /nfs/dbraw/zinc/14/97/70/555149770.db2.gz VZBQJXNIUMYPHG-QNLPTKCRSA-N 0 1 518.588 7.698 50 0 KKAAMN COc1cc(C(=O)N2c3ccccc3N=C3CC(C)(C)CC(=O)C3[C@@H]2c2cccc(Br)c2)cc(OC)c1OC ZINC000102929745 555155837 /nfs/dbraw/zinc/15/58/37/555155837.db2.gz BBCLGYFZTQTECC-NDEPHWFRSA-N 0 1 591.502 7.581 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(-c2nnc(SCc3ccc(Cl)cc3Cl)n2[C@@H](C)CCCC(C)C)c1 ZINC000102931098 555158296 /nfs/dbraw/zinc/15/82/96/555158296.db2.gz DIYFNAYQMOSCOO-NRFANRHFSA-N 0 1 633.667 8.741 50 0 KKAAMN COc1cc(OC)c(NS(=O)(=O)c2cccc(C(=O)OCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)c2)cc1Cl ZINC000102933645 555160854 /nfs/dbraw/zinc/16/08/54/555160854.db2.gz MOHZRZNLXAXKPQ-UHFFFAOYSA-N 0 1 608.283 5.914 50 0 KKAAMN Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC000102935452 555162801 /nfs/dbraw/zinc/16/28/01/555162801.db2.gz GARZVLPPTCBMQH-UHFFFAOYSA-N 0 1 596.923 8.224 50 0 KKAAMN CC[C@H]1N[C@@]2(c3ccccc3N(Cc3cccc4ccccc43)C2=O)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 ZINC000102937559 555165465 /nfs/dbraw/zinc/16/54/65/555165465.db2.gz ZRZZJVAOTLZBAC-SIAWKFEWSA-N 0 1 536.031 5.423 50 0 KKAAMN Cc1ccc(NS(=O)(=O)c2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc2Cl)c(C)c1 ZINC000102972439 555182272 /nfs/dbraw/zinc/18/22/72/555182272.db2.gz RCEWMCKOFLVDFR-UHFFFAOYSA-N 0 1 529.865 5.321 50 0 KKAAMN COc1ccc(NC(=O)C[C@H](NC(C)=O)c2ccccc2)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000102993988 555193949 /nfs/dbraw/zinc/19/39/49/555193949.db2.gz RTMFVHHLZWFAOL-NRFANRHFSA-N 0 1 536.437 5.009 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ccc(C(C)=O)cc3)C2=O)c1 ZINC000102995579 555195138 /nfs/dbraw/zinc/19/51/38/555195138.db2.gz VHWXIYYVKMOWPK-DIBXZPPDSA-N 0 1 567.623 5.339 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ccc(C)c(C)c3)C2=O)c1 ZINC000103005099 555203226 /nfs/dbraw/zinc/20/32/26/555203226.db2.gz DWXHNYOYAQBJJP-DIBXZPPDSA-N 0 1 553.640 5.753 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ccccc3Cl)C2=O)c1 ZINC000103005072 555203309 /nfs/dbraw/zinc/20/33/09/555203309.db2.gz CAGOWLALMPNHND-NKFKGCMQSA-N 0 1 560.031 5.789 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc32)ccc1C ZINC000103012647 555207475 /nfs/dbraw/zinc/20/74/75/555207475.db2.gz LGEXPCGMRLURLC-UHFFFAOYSA-N 0 1 583.666 6.289 50 0 KKAAMN CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(C(C)C)CC1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000103025297 555215459 /nfs/dbraw/zinc/21/54/59/555215459.db2.gz DCOBDWQGXBCJDU-UHFFFAOYSA-N 0 1 547.763 6.454 50 0 KKAAMN Cc1nn(-c2cccc(F)c2)c(N2CCN(C(C)C)CC2)c1CN(C(=O)c1ccc(Cl)c(Cl)c1)C(C)C ZINC000103025337 555215493 /nfs/dbraw/zinc/21/54/93/555215493.db2.gz KVQHBBKHNWVUQO-UHFFFAOYSA-N 0 1 546.518 6.208 50 0 KKAAMN CCN1CCN(c2c(CN(C(=O)c3ccccc3Br)C(C)C)c(C)nn2-c2cccc(F)c2)CC1 ZINC000103025509 555215663 /nfs/dbraw/zinc/21/56/63/555215663.db2.gz DJRKTQVEFQHDGN-UHFFFAOYSA-N 0 1 542.497 5.275 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1ccc(OC)c(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)c1 ZINC000103034281 555221902 /nfs/dbraw/zinc/22/19/02/555221902.db2.gz IYSYPPDIBWYUFT-UHFFFAOYSA-N 0 1 574.058 6.626 50 0 KKAAMN CCOCCOc1nc(-c2ccc(C)cc2)n(-c2ccc(NS(=O)(=O)c3cc(Br)ccc3OC)cc2)n1 ZINC000103047340 555229041 /nfs/dbraw/zinc/22/90/41/555229041.db2.gz SDKNNQLLIQHVSJ-UHFFFAOYSA-N 0 1 587.496 5.230 50 0 KKAAMN COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(-n2nc(OC(C)C)nc2-c2cccc(F)c2)cc1 ZINC000103047283 555229086 /nfs/dbraw/zinc/22/90/86/555229086.db2.gz BFIHQHRODREPOO-UHFFFAOYSA-N 0 1 561.433 5.433 50 0 KKAAMN COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(-n2nc(OCC(C)C)nc2-c2ccccc2F)cc1 ZINC000103065724 555246097 /nfs/dbraw/zinc/24/60/97/555246097.db2.gz QNJAHIHBRPWYOX-UHFFFAOYSA-N 0 1 575.460 5.680 50 0 KKAAMN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)c1 ZINC000103071670 555251802 /nfs/dbraw/zinc/25/18/02/555251802.db2.gz LUSXJGCJYBFLOY-UHFFFAOYSA-N 0 1 542.086 5.380 50 0 KKAAMN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)OC(=O)c3ccccc3NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)ccc21 ZINC000103090055 555269139 /nfs/dbraw/zinc/26/91/39/555269139.db2.gz YYZODVNKPXCVEM-HSZRJFAPSA-N 0 1 611.764 7.405 50 0 KKAAMN CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccccc2NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)c1C ZINC000103090083 555269203 /nfs/dbraw/zinc/26/92/03/555269203.db2.gz MQSXFHLGESIRLL-UHFFFAOYSA-N 0 1 554.665 5.255 50 0 KKAAMN CCOC(=O)C1C(CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2F)=NC(=O)N[C@@H]1c1ccccc1 ZINC000103090314 555269221 /nfs/dbraw/zinc/26/92/21/555269221.db2.gz XUPOMWPPASCRMF-XMMPIXPASA-N 0 1 547.587 5.176 50 0 KKAAMN CCOC(=O)C1C(CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2F)=NC(=O)N[C@H]1c1ccccc1 ZINC000103090318 555269244 /nfs/dbraw/zinc/26/92/44/555269244.db2.gz XUPOMWPPASCRMF-DEOSSOPVSA-N 0 1 547.587 5.176 50 0 KKAAMN Cc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)Nc2ccc(Br)c(C)c2)c(C)c1 ZINC000103092160 555271112 /nfs/dbraw/zinc/27/11/12/555271112.db2.gz OJUBWYHDABUQOG-UHFFFAOYSA-N 0 1 545.455 5.279 50 0 KKAAMN COc1ccc(C(=O)N(CCN2CCCCC2)Cc2csc(COc3cc(Cl)ccc3Cl)n2)cc1 ZINC000103122581 555291085 /nfs/dbraw/zinc/29/10/85/555291085.db2.gz DOZYXAAGXJJJJG-UHFFFAOYSA-N 0 1 534.509 6.166 50 0 KKAAMN COCCCN(Cc1c(C)nn(-c2ccccc2)c1N1CCN(C)CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000103212114 555340198 /nfs/dbraw/zinc/34/01/98/555340198.db2.gz YZKWBVQAQUNQLR-UHFFFAOYSA-N 0 1 545.515 5.310 50 0 KKAAMN C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Nc1cccc(Cl)c1 ZINC000103363254 555365250 /nfs/dbraw/zinc/36/52/50/555365250.db2.gz KIKISGOANDWTGW-WINIVTDRSA-N 0 1 541.092 5.643 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1OC ZINC000103514887 555422759 /nfs/dbraw/zinc/42/27/59/555422759.db2.gz AXJFRACHOKARFO-LSBIRFPWSA-N 0 1 536.628 5.292 50 0 KKAAMN O=C(c1ccccc1F)[C@@H]1C(=C(O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000103521238 555426523 /nfs/dbraw/zinc/42/65/23/555426523.db2.gz MIISEJWQKNWLNG-KCIBBDPESA-N 0 1 532.546 5.821 50 0 KKAAMN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccc(Cl)cc2)C(=C(O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000103534429 555434765 /nfs/dbraw/zinc/43/47/65/555434765.db2.gz IDJVIDHNCGZBPO-CTMYTVLESA-N 0 1 545.038 6.505 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3ccc(OC)c(OC)c3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103547075 555441288 /nfs/dbraw/zinc/44/12/88/555441288.db2.gz RZDHPPMODFUPJA-CUTZTJRCSA-N 0 1 586.644 5.569 50 0 KKAAMN FC(F)Oc1ccccc1C1=NN2[C@@H](C1)c1cc(Br)ccc1OC21CCN(Cc2ccccc2)CC1 ZINC000103623428 555456913 /nfs/dbraw/zinc/45/69/13/555456913.db2.gz GWNGXBUPMMDDPN-DEOSSOPVSA-N 0 1 554.435 6.586 50 0 KKAAMN CCc1cc(O)c(F)cc1-c1ccc2c(c1)[nH]nc2-c1nc2c([nH]1)CN(C(=O)c1cnc(N3CCCCC3)cn1)CC2 ZINC000146057035 562838017 /nfs/dbraw/zinc/83/80/17/562838017.db2.gz XDJGNPSZQSWJCV-UHFFFAOYSA-N 0 1 566.641 5.006 50 0 in-vitro KKAAMN Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000104003353 571370983 /nfs/dbraw/zinc/37/09/83/571370983.db2.gz TUPUSDYGTGJOAO-UHFFFAOYSA-N 0 1 611.529 8.152 50 0 KKAAMN O=C(Nc1ccc(Cl)cc1)[C@@H]1C(=C(O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000104073494 571372269 /nfs/dbraw/zinc/37/22/69/571372269.db2.gz SZTCXLXVQOTQNF-NBJHOTSESA-N 0 1 564.016 6.091 50 0 KKAAMN COc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000104150303 571375433 /nfs/dbraw/zinc/37/54/33/571375433.db2.gz QZANSCYTWATPGA-HHHXNRCGSA-N 0 1 536.459 8.500 50 0 KKAAMN COc1ccc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)cc1OC ZINC000104161726 571375832 /nfs/dbraw/zinc/37/58/32/571375832.db2.gz VUHMEKSATSTFJD-IVCQMTBJSA-N 0 1 512.484 6.409 50 0 KKAAMN O[C@@H](COCc1ccco1)CN(Cc1cccc(F)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104985335 571388705 /nfs/dbraw/zinc/38/87/05/571388705.db2.gz NWXYRCUVHTYKDD-IFMALSPDSA-N 0 1 507.389 5.298 50 0 KKAAMN O[C@H](COCc1ccco1)CN(Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104984900 571388826 /nfs/dbraw/zinc/38/88/26/571388826.db2.gz YWJCPDUGNPGTHU-RBBKRZOGSA-N 0 1 507.389 5.298 50 0 KKAAMN Cc1ccc(Oc2c(CN(C[C@@H](O)COCC(C)C)C[C@@H]3CCCO3)c(-c3ccccc3)nn2C)cc1 ZINC000105007150 571389206 /nfs/dbraw/zinc/38/92/06/571389206.db2.gz LAUGOIOKYRAZNE-VPUSJEBWSA-N 0 1 507.675 5.202 50 0 KKAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000105061841 571391030 /nfs/dbraw/zinc/39/10/30/571391030.db2.gz VGZUEQGSTMMCAP-HLADLETHSA-N 0 1 543.777 6.065 50 0 KKAAMN COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000106017283 571410525 /nfs/dbraw/zinc/41/05/25/571410525.db2.gz TWMUDXNVQVFUQP-MPFGFTFXSA-N 0 1 552.558 5.413 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2[C@H](C(C)=O)N3c4ccc5ccccc5c4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000106808130 571418383 /nfs/dbraw/zinc/41/83/83/571418383.db2.gz PVSVFJJTMSKTFU-XHKFQDSHSA-N 0 1 514.581 5.411 50 0 KKAAMN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccccc1C(=O)OCC(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000110530803 571431432 /nfs/dbraw/zinc/43/14/32/571431432.db2.gz KHAMYUXTAFVNBD-AMZDPNTKSA-N 0 1 543.726 6.254 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C)cc3)C2)[C@@H]1c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000150347278 571460795 /nfs/dbraw/zinc/46/07/95/571460795.db2.gz LLOFYJSPZHLKPU-BMWXWXOGSA-N 0 1 663.258 10.757 50 0 KKAAMN CC(=O)Nc1ccccc1C(=O)Nc1ccc2[nH]c(-c3ccc(-c4nc5ccc(NC(=O)c6ccccc6NC(C)=O)cc5[nH]4)cc3)nc2c1 ZINC000150384219 571468146 /nfs/dbraw/zinc/46/81/46/571468146.db2.gz CWVYWFZAWRNVBA-UHFFFAOYSA-N 0 1 662.710 7.195 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@H]3C)c2)ccc1N1CCCC1 ZINC000150386737 571469538 /nfs/dbraw/zinc/46/95/38/571469538.db2.gz ZFMVDGZVAZYTEZ-HSZRJFAPSA-N 0 1 646.791 5.488 50 0 KKAAMN CCCCCCOc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(C)c(C)c4)c(C(F)(F)F)oc3c2CN(CCC)CCC)cc1 ZINC000150388815 571471063 /nfs/dbraw/zinc/47/10/63/571471063.db2.gz WBAKANGOQUXAQD-UHFFFAOYSA-N 0 1 667.765 10.021 50 0 KKAAMN Cc1ccc(C)c(-c2nc(-c3ccc4c(c3)oc3cc(-c5[nH]c(-c6cc(C)ccc6C)nc5-c5ccccc5)ccc34)c(-c3ccccc3)[nH]2)c1 ZINC000150388707 571471100 /nfs/dbraw/zinc/47/11/00/571471100.db2.gz ZDTWCRFYVTYXBD-UHFFFAOYSA-N 0 1 660.821 12.268 50 0 KKAAMN Cc1ccc(C)c(-c2nc(-c3ccc4c(c3)oc3cc(-c5nc(-c6cc(C)ccc6C)[nH]c5-c5ccccc5)ccc34)c(-c3ccccc3)[nH]2)c1 ZINC000150388707 571471102 /nfs/dbraw/zinc/47/11/02/571471102.db2.gz ZDTWCRFYVTYXBD-UHFFFAOYSA-N 0 1 660.821 12.268 50 0 KKAAMN CCCN(CCC)Cc1c(OC(=O)c2cc(OC)c(OC)c(OC)c2)ccc2c(=O)c(Oc3ccc(Cl)cc3)c(C(F)(F)F)oc21 ZINC000150389110 571471426 /nfs/dbraw/zinc/47/14/26/571471426.db2.gz VKVSFSXVVLHMJF-UHFFFAOYSA-N 0 1 664.073 8.125 50 0 KKAAMN CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)c(CN(CCC)CCC)c3oc2C(F)(F)F)cc1 ZINC000150389073 571471437 /nfs/dbraw/zinc/47/14/37/571471437.db2.gz YGLHFMQCKVQDQY-UHFFFAOYSA-N 0 1 671.709 8.424 50 0 KKAAMN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCCN3CCN(c4ccc(F)cc4)CC3)C2=S)cc1 ZINC000150390552 571472828 /nfs/dbraw/zinc/47/28/28/571472828.db2.gz ZOSCSUAYGWJANS-GDLZYMKVSA-N 0 1 652.192 5.199 50 0 KKAAMN CSc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCCN3CCN(c4cccc(Cl)c4)CC3)C2=S)c1 ZINC000150396249 571476366 /nfs/dbraw/zinc/47/63/66/571476366.db2.gz FQCVUSOATGFSAW-NDEPHWFRSA-N 0 1 642.678 6.259 50 0 KKAAMN O=C(C[C@@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)C(=S)N1CCCN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Cl)cc1 ZINC000150396521 571476577 /nfs/dbraw/zinc/47/65/77/571476577.db2.gz RIKAKCAUSMEISA-HHHXNRCGSA-N 0 1 665.474 6.843 50 0 KKAAMN COc1ccc(Br)cc1[C@H]1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)C(=O)N1c1ccc(Br)c(C)c1 ZINC000150403356 571478602 /nfs/dbraw/zinc/47/86/02/571478602.db2.gz OVCHECSQFKKQOO-FCHUYYIVSA-N 0 1 708.017 7.895 50 0 KKAAMN COc1ccc(Br)cc1[C@H]1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)C(=O)N1c1ccc(C)c(F)c1 ZINC000150403254 571478668 /nfs/dbraw/zinc/47/86/68/571478668.db2.gz AEAJKSZKWQAAGI-VXKWHMMOSA-N 0 1 647.111 7.272 50 0 KKAAMN COc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2cc(Br)ccc2OC)cc1 ZINC000150403264 571478680 /nfs/dbraw/zinc/47/86/80/571478680.db2.gz GCVNVDRGAXPNFL-VXKWHMMOSA-N 0 1 645.120 6.833 50 0 KKAAMN COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](c4cc(OC)c(OC)c(OC)c4)C3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000150410306 571482718 /nfs/dbraw/zinc/48/27/18/571482718.db2.gz MPJYHPGQIDHCQO-TXQSWDKBSA-N 0 1 740.806 7.628 50 0 KKAAMN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000150414619 571485114 /nfs/dbraw/zinc/48/51/14/571485114.db2.gz ZGQCYVMPHDUMDP-WJOKGBTCSA-N 0 1 659.878 5.124 50 0 KKAAMN CC(C)Cc1ccc(C(O)=C2[C@H](C(=O)c3ccc(Br)cc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000150419061 571486866 /nfs/dbraw/zinc/48/68/66/571486866.db2.gz PEJWZSVCSMCFQF-JVNOLKNPSA-N 0 1 631.570 7.504 50 0 KKAAMN Cn1cc(-c2nc(-c3ccc(-c4ccc(C5=NC(c6cn(C)c7ccccc67)=N[C@@H]5c5ccccc5)cc4)cc3)c(-c3ccccc3)[nH]2)c2ccccc21 ZINC000150419082 571486880 /nfs/dbraw/zinc/48/68/80/571486880.db2.gz VIEKTGLUYPAFEL-VZUYHUTRSA-N 0 1 696.858 11.052 50 0 KKAAMN COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4ccccc4)C3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000150419958 571487148 /nfs/dbraw/zinc/48/71/48/571487148.db2.gz YZOPLKIMLXNHAW-NMRUTFGKSA-N 0 1 650.728 7.602 50 0 KKAAMN CCOc1cc([C@@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)CC(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000150419796 571487202 /nfs/dbraw/zinc/48/72/02/571487202.db2.gz FDTZXCWWFQBVBO-HFOCTHEHSA-N 0 1 649.231 10.222 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2N2CCOCC2)ccc1C ZINC000150420634 571487376 /nfs/dbraw/zinc/48/73/76/571487376.db2.gz RCJOFSJLOIMMQH-UHFFFAOYSA-N 0 1 671.197 5.348 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2[C@H](C(=O)OC(c3ccccc3)c3ccccc3)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1OC ZINC000150424481 571489148 /nfs/dbraw/zinc/48/91/48/571489148.db2.gz IYERFCUYSKPHJI-NEZYTNNNSA-N 0 1 662.742 7.010 50 0 KKAAMN O=C(OC(c1ccccc1)c1ccccc1)[C@H]1[C@@H](C(=O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000150425962 571490262 /nfs/dbraw/zinc/49/02/62/571490262.db2.gz HFKVUXRQAYZYBS-QHXNCVDGSA-N 0 1 681.586 7.755 50 0 KKAAMN Clc1cccc(-c2nc(-c3ccccc3)c(-c3ccc(Oc4ccc(-c5nc(-c6cccc(Cl)c6)[nH]c5-c5ccccc5)cc4)cc3)[nH]2)c1 ZINC000150437155 571496590 /nfs/dbraw/zinc/49/65/90/571496590.db2.gz QXUKCASNHHZOEA-UHFFFAOYSA-N 0 1 675.619 12.234 50 0 KKAAMN Clc1cccc(-c2nc(-c3ccccc3)c(-c3ccc(Oc4ccc(-c5[nH]c(-c6cccc(Cl)c6)nc5-c5ccccc5)cc4)cc3)[nH]2)c1 ZINC000150437155 571496591 /nfs/dbraw/zinc/49/65/91/571496591.db2.gz QXUKCASNHHZOEA-UHFFFAOYSA-N 0 1 675.619 12.234 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)ccc1N1CCCCC1 ZINC000150438383 571497082 /nfs/dbraw/zinc/49/70/82/571497082.db2.gz KYEDGZALPUEWGL-UHFFFAOYSA-N 0 1 660.818 5.486 50 0 KKAAMN COc1cc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Cl)cc2)cc(OC)c1OC ZINC000150440284 571497899 /nfs/dbraw/zinc/49/78/99/571497899.db2.gz NRGIENJQXHWYGS-VXKWHMMOSA-N 0 1 630.695 6.732 50 0 KKAAMN O=C1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@@H](c2ccc3c(c2)OCO3)N1c1ccc(Br)cc1 ZINC000150449103 571501781 /nfs/dbraw/zinc/50/17/81/571501781.db2.gz JQYNIJWAMISWNP-RTWAWAEBSA-N 0 1 629.077 6.544 50 0 KKAAMN CCC(C)(C)c1ccc(OCC(=O)Nc2ccc(-n3[nH]c(Nc4ccccc4Cl)c(Sc4nnnn4-c4ccccc4)c3=O)cc2)c(C(C)(C)CC)c1 ZINC000150531589 571520501 /nfs/dbraw/zinc/52/05/01/571520501.db2.gz XHNNRTQZUIEHMZ-PGUFJCEWSA-N 0 1 751.357 8.642 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000150644327 571525032 /nfs/dbraw/zinc/52/50/32/571525032.db2.gz QBRYVBBYJJPODK-MPFGFTFXSA-N 0 1 664.350 6.850 50 0 KKAAMN O=C(NCc1ccccc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169677608 571555140 /nfs/dbraw/zinc/55/51/40/571555140.db2.gz GIMKUDMQJZCYDI-RSXGOPAZSA-N 0 1 513.991 5.538 50 0 KKAAMN O=C(NCc1ccccc1F)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169681925 571557780 /nfs/dbraw/zinc/55/77/80/571557780.db2.gz CAUVRAMUISFTTM-OZXSUGGESA-N 0 1 531.981 5.677 50 0 KKAAMN CC[C@H](C)Oc1ccccc1[C@H]1C2=C(C[C@H](c3ccc(OC)c(OC)c3)CC2=O)Nc2ccccc2N1C(=O)c1ccccc1 ZINC000225857143 572077922 /nfs/dbraw/zinc/07/79/22/572077922.db2.gz NIWLAWAOUAVREA-QZDQGYFBSA-N 0 1 602.731 8.745 50 0 biogenic KKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1O[C@@H](C)CC ZINC000225954123 572086430 /nfs/dbraw/zinc/08/64/30/572086430.db2.gz GFYWSKZRDYFRCN-UHGZUPIWSA-N 0 1 554.687 7.841 50 0 biogenic KKAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2ccc(OC(C)C)c(OC)c2)cc1OC ZINC000263585074 572116533 /nfs/dbraw/zinc/11/65/33/572116533.db2.gz DVSJITXHYNWHQH-SFHVURJKSA-N 0 1 532.545 5.420 50 0 KKAAMN O=C(c1cccs1)[C@@H]1C(=C(O)c2ccc3c(c2)OCO3)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000226922019 572145136 /nfs/dbraw/zinc/14/51/36/572145136.db2.gz FIJBDJDXNHOIDY-WPQKMFINSA-N 0 1 546.604 5.333 50 0 KKAAMN O=C(Oc1ccc([C@@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccccc2)cc1)c1ccccc1 ZINC000226931818 572145968 /nfs/dbraw/zinc/14/59/68/572145968.db2.gz FGYBWTFVCYLGRF-OYUWMTPXSA-N 0 1 524.960 5.610 50 0 KKAAMN CC(C)Cc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccc(Cl)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227022264 572147628 /nfs/dbraw/zinc/14/76/28/572147628.db2.gz MPWDKUJVRNPSBG-CSSWAUQYSA-N 0 1 587.119 7.395 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccc(Cl)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227022148 572147720 /nfs/dbraw/zinc/14/77/20/572147720.db2.gz NHINCRXLCFMLQI-YQQRZDPSSA-N 0 1 561.037 6.205 50 0 KKAAMN COc1ccc(OC)c(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000227238549 572152385 /nfs/dbraw/zinc/15/23/85/572152385.db2.gz TXPDZRGFCPSHFU-VGBJTSDXSA-N 0 1 562.647 5.621 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccc4c(c3)OCO4)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=Cc4ccccc4N32)c1 ZINC000229613279 572156303 /nfs/dbraw/zinc/15/63/03/572156303.db2.gz QYHDOVMMBAAWSD-OLBUMSFYSA-N 0 1 570.601 5.280 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@H](C(=O)c3ccc(Br)cc3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229857420 572161489 /nfs/dbraw/zinc/16/14/89/572161489.db2.gz HJLKJDMBLZZHSI-NLVFCZGTSA-N 0 1 617.543 7.258 50 0 KKAAMN CCCCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229890131 572165619 /nfs/dbraw/zinc/16/56/19/572165619.db2.gz VOSGPGIOPHVDAV-OWGRSJDOSA-N 0 1 581.156 7.661 50 0 KKAAMN 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 572166212 /nfs/dbraw/zinc/16/62/12/572166212.db2.gz BWEQFPMJXCVAOS-UCDUTVGFSA-N 0 1 559.493 6.972 50 0 KKAAMN CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccs3)N3c4ccc(C)cc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229915123 572168970 /nfs/dbraw/zinc/16/89/70/572168970.db2.gz YTUCUWNWMOXVHH-FJLMOIIKSA-N 0 1 572.730 7.255 50 0 KKAAMN CCCCCc1ccc(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccccc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229921440 572169664 /nfs/dbraw/zinc/16/96/64/572169664.db2.gz CMMYHEXUPJBYIO-BEJGJRQXSA-N 0 1 586.757 7.727 50 0 KKAAMN CC1=C[C@@H]2N(c3ccc(Cl)cc31)[C@H](C(=O)C(C)(C)C)[C@H](C(=O)c1ccc(CC(C)C)cc1)[C@]21C(=O)Nc2ccccc21 ZINC000229940735 572171941 /nfs/dbraw/zinc/17/19/41/572171941.db2.gz KXURFAPLYHJJQG-GHFJTSGJSA-N 0 1 581.156 7.517 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229939110 572172021 /nfs/dbraw/zinc/17/20/21/572172021.db2.gz VMXXIZXSKCFXJO-CLWMVSBGSA-N 0 1 579.121 7.210 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)[C@@H](C(=O)c1ccc(CC(C)C)cc1)[C@]21C(=O)Nc2ccccc21 ZINC000229953995 572173635 /nfs/dbraw/zinc/17/36/35/572173635.db2.gz FXHZZFGCWKLNBS-IMRGVNHMSA-N 0 1 572.730 7.193 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc(Cl)cc1)C(=C(O)c1ccccc1)[C@@]21C(=O)Nc2ccccc21 ZINC000230023754 572179534 /nfs/dbraw/zinc/17/95/34/572179534.db2.gz BRXVSJPHZYSPQO-DCMQHHMNSA-N 0 1 545.038 6.586 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000230031385 572180093 /nfs/dbraw/zinc/18/00/93/572180093.db2.gz KBXMLDLMDMWVHZ-WYODCFETSA-N 0 1 524.620 6.241 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccc(F)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000230034137 572180714 /nfs/dbraw/zinc/18/07/14/572180714.db2.gz HZGSWTBAPPLUJK-WYODCFETSA-N 0 1 542.610 6.380 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2C(=C(O)c3ccccc3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000230088745 572183376 /nfs/dbraw/zinc/18/33/76/572183376.db2.gz HUECZYILIZAWIY-BSYZOHBLSA-N 0 1 538.647 6.550 50 0 KKAAMN Cc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccc(Cl)cc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000230189014 572184950 /nfs/dbraw/zinc/18/49/50/572184950.db2.gz LXVVKALZLAJWHU-CLWMVSBGSA-N 0 1 545.038 6.505 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(=C(O)c1ccccc1)[C@@]21C(=O)Nc2ccccc21 ZINC000230189517 572185083 /nfs/dbraw/zinc/18/50/83/572185083.db2.gz GKXMUNUXSDHWSP-OAJQQGRKSA-N 0 1 516.622 5.994 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000245245157 572217365 /nfs/dbraw/zinc/21/73/65/572217365.db2.gz APXNXQBKHBFFJU-CSSWAUQYSA-N 0 1 552.674 6.885 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(=C(O)c1ccc3c(c1)OCO3)[C@@]21C(=O)Nc2ccccc21 ZINC000245246056 572218578 /nfs/dbraw/zinc/21/85/78/572218578.db2.gz GUAGTPGUTGYUGT-OLBUMSFYSA-N 0 1 554.602 5.662 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(=C(O)c1ccc3c(c1)OCO3)[C@]21C(=O)Nc2ccccc21 ZINC000245246058 572218849 /nfs/dbraw/zinc/21/88/49/572218849.db2.gz GUAGTPGUTGYUGT-XYIJYTLJSA-N 0 1 554.602 5.662 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@H](C(=O)c3ccc(OC)cc3)N3c4ccccc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245246431 572219203 /nfs/dbraw/zinc/21/92/03/572219203.db2.gz LNTCLMHEGZCQOO-XGHZCBFSSA-N 0 1 582.700 6.894 50 0 KKAAMN CCCCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C(C)=C[C@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000245246395 572219324 /nfs/dbraw/zinc/21/93/24/572219324.db2.gz KMNZWHXZMZQCLV-FBMQAJKJSA-N 0 1 574.765 7.706 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@H](C(=O)c3ccc(C)cc3)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000245247184 572220267 /nfs/dbraw/zinc/22/02/67/572220267.db2.gz RDTKWHJDEOVLTE-BQFNBOMDSA-N 0 1 580.728 7.502 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(=C(O)c1ccccc1F)[C@]21C(=O)Nc2ccccc21 ZINC000245309743 572227429 /nfs/dbraw/zinc/22/74/29/572227429.db2.gz FXNTZKVFCSKVPN-GZNUUUAQSA-N 0 1 508.593 5.804 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1Cl)C(=C(O)c1ccccc1)[C@]21C(=O)Nc2ccccc21 ZINC000245310371 572228148 /nfs/dbraw/zinc/22/81/48/572228148.db2.gz IMJXXWXDHQVWRC-CTMYTVLESA-N 0 1 545.038 6.586 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2C(=C(O)c3cccnc3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000245311125 572228696 /nfs/dbraw/zinc/22/86/96/572228696.db2.gz MPYXLRDDQSGUAQ-DDWAFBAVSA-N 0 1 539.635 5.945 50 0 KKAAMN CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245327745 572234026 /nfs/dbraw/zinc/23/40/26/572234026.db2.gz PWVNPKHAWAWJDD-WKLUVDBGSA-N 0 1 553.102 6.881 50 0 KKAAMN CCCCCc1ccc(C(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000245343040 572237183 /nfs/dbraw/zinc/23/71/83/572237183.db2.gz CRAAZTDUHIJFSQ-GPNASLBKSA-N 0 1 561.767 6.331 50 0 KKAAMN C[C@H]1CN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000245343571 572239481 /nfs/dbraw/zinc/23/94/81/572239481.db2.gz SGHUENSJVVOIES-XRHLQHRESA-N 0 1 575.537 6.296 50 0 KKAAMN O=C(NCCc1ccccc1)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247464698 572242409 /nfs/dbraw/zinc/24/24/09/572242409.db2.gz CEWYQWIONLSANJ-JOCHJYFZSA-N 0 1 517.471 5.359 50 0 KKAAMN O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247465573 572242417 /nfs/dbraw/zinc/24/24/17/572242417.db2.gz CLSFPNBTWDUAFM-OAQYLSRUSA-N 0 1 551.916 6.012 50 0 KKAAMN O=C(NCc1ccccc1Cl)[C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247496630 572242584 /nfs/dbraw/zinc/24/25/84/572242584.db2.gz OJULPNNZVZVZOL-FQEVSTJZSA-N 0 1 537.889 5.970 50 0 KKAAMN O=C1NC(=O)[C@]2(Cc3cc(C(F)(F)F)ccc3N3CC[C@H](c4ccccc4)C[C@@H]32)C(=O)N1c1ccccc1 ZINC000247692780 572243234 /nfs/dbraw/zinc/24/32/34/572243234.db2.gz XLCHVKBGAJZNNR-HGIQPGCESA-N 0 1 519.523 5.284 50 0 KKAAMN O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247754552 572244803 /nfs/dbraw/zinc/24/48/03/572244803.db2.gz WFLCYMVAZHQCRY-SFHVURJKSA-N 0 1 523.862 6.292 50 0 KKAAMN O=C(c1ccc(Cl)c(Cl)c1)N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000247826156 572245582 /nfs/dbraw/zinc/24/55/82/572245582.db2.gz JGXOCHKFLKKATN-JOCHJYFZSA-N 0 1 655.424 6.291 50 0 KKAAMN O=C(c1ccc(Cl)c(Cl)c1)N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000247826156 572245583 /nfs/dbraw/zinc/24/55/83/572245583.db2.gz JGXOCHKFLKKATN-JOCHJYFZSA-N 0 1 655.424 6.291 50 0 KKAAMN O=C(c1ccccc1Cl)N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000247828048 572245640 /nfs/dbraw/zinc/24/56/40/572245640.db2.gz JVPOUEPEGBSJJR-QFIPXVFZSA-N 0 1 560.073 5.015 50 0 KKAAMN O=C(c1ccccc1Cl)N1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000247828048 572245642 /nfs/dbraw/zinc/24/56/42/572245642.db2.gz JVPOUEPEGBSJJR-QFIPXVFZSA-N 0 1 560.073 5.015 50 0 KKAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2ccccc2F)CC1 ZINC000247842930 572245966 /nfs/dbraw/zinc/24/59/66/572245966.db2.gz FZTQSCRLCHIVMZ-QFIPXVFZSA-N 0 1 576.514 5.488 50 0 KKAAMN Cc1ccc(NC(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)c(C)c1 ZINC000247860009 572246490 /nfs/dbraw/zinc/24/64/90/572246490.db2.gz FRDGXLJPCAFPDZ-NRFANRHFSA-N 0 1 517.471 6.256 50 0 KKAAMN Cc1cccc(C)c1N1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000247857621 572246525 /nfs/dbraw/zinc/24/65/25/572246525.db2.gz DNSRONZYSXNCCQ-MHZLTWQESA-N 0 1 556.154 5.916 50 0 KKAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000247859647 572246582 /nfs/dbraw/zinc/24/65/82/572246582.db2.gz MDORLIAZVNIAEA-HSZRJFAPSA-N 0 1 596.990 6.606 50 0 KKAAMN Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)c(C)c1 ZINC000247860013 572246640 /nfs/dbraw/zinc/24/66/40/572246640.db2.gz FRDGXLJPCAFPDZ-OAQYLSRUSA-N 0 1 517.471 6.256 50 0 KKAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000247868422 572247185 /nfs/dbraw/zinc/24/71/85/572247185.db2.gz PPUDDIXEGOGHDU-NRFANRHFSA-N 0 1 566.508 6.032 50 0 KKAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000247868522 572247286 /nfs/dbraw/zinc/24/72/86/572247286.db2.gz PTAQYLFHRYBJMG-QFIPXVFZSA-N 0 1 592.969 6.002 50 0 KKAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000247876011 572247375 /nfs/dbraw/zinc/24/73/75/572247375.db2.gz TWVVAIDTKZATTP-XMMPIXPASA-N 0 1 562.545 5.952 50 0 KKAAMN COc1ccc(Cn2c(CN3CCC[C@@H](C(=O)N4CCN(c5ccc(Cl)cc5)CC4)C3)nc3ccccc32)cc1 ZINC000247877588 572248048 /nfs/dbraw/zinc/24/80/48/572248048.db2.gz HRKUDLRLOWSQRK-RUZDIDTESA-N 0 1 558.126 5.307 50 0 KKAAMN COc1ccc(Cn2c(CN3CCC[C@@H](C(=O)N4CCN(c5ccc(F)c(Cl)c5)CC4)C3)nc3ccccc32)cc1 ZINC000247882243 572248409 /nfs/dbraw/zinc/24/84/09/572248409.db2.gz JHTFZAGYGKWYPI-XMMPIXPASA-N 0 1 576.116 5.447 50 0 KKAAMN COc1ccc(Cn2c(CN3CCC[C@@H](C(=O)N4CCN(c5ccc(C)c(C)c5)CC4)C3)nc3ccccc32)cc1 ZINC000247910063 572249196 /nfs/dbraw/zinc/24/91/96/572249196.db2.gz UERBSOCHHLJTAY-MUUNZHRXSA-N 0 1 551.735 5.271 50 0 KKAAMN O=C(c1ccccc1Cl)N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000247939349 572249915 /nfs/dbraw/zinc/24/99/15/572249915.db2.gz OYDGXEWGGXGYOI-JOCHJYFZSA-N 0 1 620.979 5.638 50 0 KKAAMN CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1cc(C(F)(F)F)ccc1N1CCN(Cc3ccccc3)C[C@H]12 ZINC000248009358 572252270 /nfs/dbraw/zinc/25/22/70/572252270.db2.gz IQGLJKGZLRIGOW-XCZPVHLTSA-N 0 1 539.001 6.015 50 0 KKAAMN Cc1ccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)cc1 ZINC000248083684 572253281 /nfs/dbraw/zinc/25/32/81/572253281.db2.gz DQVFRHXIWXRRCN-XMMPIXPASA-N 0 1 572.551 5.657 50 0 KKAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCCN(C(=O)CCC2CCCC2)CC1 ZINC000248091452 572253402 /nfs/dbraw/zinc/25/34/02/572253402.db2.gz MNYODBKMFQHKQZ-RNWIMVQKSA-N 0 1 507.744 5.424 50 0 KKAAMN Cc1ccccc1N1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000248100979 572253555 /nfs/dbraw/zinc/25/35/55/572253555.db2.gz JOUBMNNMQPSEBR-DEOSSOPVSA-N 0 1 511.645 5.034 50 0 KKAAMN COc1cccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)c1 ZINC000248132476 572254773 /nfs/dbraw/zinc/25/47/73/572254773.db2.gz LIWKFODRJVSXHM-RUZDIDTESA-N 0 1 558.126 5.307 50 0 KKAAMN COc1cccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)c1 ZINC000248132476 572254774 /nfs/dbraw/zinc/25/47/74/572254774.db2.gz LIWKFODRJVSXHM-RUZDIDTESA-N 0 1 558.126 5.307 50 0 KKAAMN COc1ccccc1NC(=O)[C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000248139790 572255224 /nfs/dbraw/zinc/25/52/24/572255224.db2.gz QUENYTKDWSSOIW-IBGZPJMESA-N 0 1 519.443 5.647 50 0 KKAAMN Cc1cccc(N2CCN(C(=O)[C@H]3CCCN(Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)c1C ZINC000248160187 572255977 /nfs/dbraw/zinc/25/59/77/572255977.db2.gz ODJQVBCFNBETAD-VWLOTQADSA-N 0 1 586.578 5.966 50 0 KKAAMN Cc1cccc(N2CCN(C(=O)[C@H]3CCCN(Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)c1C ZINC000248167442 572256244 /nfs/dbraw/zinc/25/62/44/572256244.db2.gz SMZIVQGSJKQGLY-MHZLTWQESA-N 0 1 556.154 5.916 50 0 KKAAMN 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 572256865 /nfs/dbraw/zinc/25/68/65/572256865.db2.gz FNDYDIKFWGWYQF-CPWWYQHDSA-N 0 1 536.628 5.292 50 0 KKAAMN C[C@H](NC(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)c1ccccc1 ZINC000248274433 572257791 /nfs/dbraw/zinc/25/77/91/572257791.db2.gz XQGNBFUTMDLDSY-RBBKRZOGSA-N 0 1 517.471 5.877 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@H](C(=O)c2ccc(F)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000248299275 572257853 /nfs/dbraw/zinc/25/78/53/572257853.db2.gz ZHXMHXAMVWYVPG-YENKVUBUSA-N 0 1 522.620 6.113 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)[C@H](C(=O)c1ccc3c(c1)OCO3)[C@@]21c2ccccc2NC1=O ZINC000248292433 572257865 /nfs/dbraw/zinc/25/78/65/572257865.db2.gz USPDOZISWIZQIT-UUZIFAJNSA-N 0 1 534.612 5.394 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(=C(O)c1ccc(F)cc1)[C@@]21C(=O)Nc2ccccc21 ZINC000248338463 572258265 /nfs/dbraw/zinc/25/82/65/572258265.db2.gz RINIXDQMIPUUAD-AOFBEVEVSA-N 0 1 528.583 6.072 50 0 KKAAMN CCc1ccccc1NC(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000252011069 572259668 /nfs/dbraw/zinc/25/96/68/572259668.db2.gz SBTGKISUTXKMIF-OAQYLSRUSA-N 0 1 517.471 6.201 50 0 KKAAMN CC(=O)[C@@H]1[C@H](C(=O)c2ccc(CC(C)C)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000252517715 572262285 /nfs/dbraw/zinc/26/22/85/572262285.db2.gz PMAFBANPUHTOCE-NGAUBYBASA-N 0 1 525.048 6.101 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CCSC)C(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000252537624 572263002 /nfs/dbraw/zinc/26/30/02/572263002.db2.gz LVQUXHKZDJLRJA-XLJNKUFUSA-N 0 1 688.891 5.177 50 0 KKAAMN COc1ccc(CCNC(=O)C[C@@H]2c3cccnc3Oc3cc(=O)c4c(O)cc(-c5ccccc5)oc-4c32)cc1 ZINC000253411981 572287645 /nfs/dbraw/zinc/28/76/45/572287645.db2.gz PMOCWJBQLGYRFO-HSZRJFAPSA-N 0 1 534.568 5.556 50 0 KKAAMN COc1cccc([C@@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)c1OCCc1ccc2c(c1)CCO2 ZINC000253411537 572287666 /nfs/dbraw/zinc/28/76/66/572287666.db2.gz OTKYSJWIWQVDBN-NRFANRHFSA-N 0 1 556.567 5.016 50 0 KKAAMN COc1cc([C@@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)ccc1OCCc1ccc2c(c1)CCO2 ZINC000253414626 572289001 /nfs/dbraw/zinc/28/90/01/572289001.db2.gz XZTNROBQGPRVSA-NRFANRHFSA-N 0 1 556.567 5.016 50 0 KKAAMN O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1[C@H](C(=O)c2ccc(Br)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000253487242 572290280 /nfs/dbraw/zinc/29/02/80/572290280.db2.gz HFKVUXRQAYZYBS-RDEHZVQUSA-N 0 1 681.586 7.755 50 0 KKAAMN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccc(CC(C)C)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000253488019 572291124 /nfs/dbraw/zinc/29/11/24/572291124.db2.gz VOGAWMZZDGLQNQ-OXWPWTPBSA-N 0 1 566.701 7.050 50 0 KKAAMN CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)COc5cc(O)c6c(=O)cc(-c7ccccc7)oc6c5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253506706 572297561 /nfs/dbraw/zinc/29/75/61/572297561.db2.gz WXIZXILJEQMMHV-HEKBWYHNSA-N 0 1 680.926 10.498 50 0 KKAAMN CC(C)c1ccccc1N1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000253607393 572300963 /nfs/dbraw/zinc/30/09/63/572300963.db2.gz QUVHGMSQBNXAKF-VWLOTQADSA-N 0 1 539.699 5.849 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C(=O)Nc3ccc4nc(C)[nH]c4c3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000409415233 1069813376 /nfs/dbraw/zinc/81/33/76/1069813376.db2.gz XPRQINNUXKBVMF-QXNWPYRLSA-N 0 1 613.715 5.123 50 0 KKAAMN O=C(c1cccs1)[C@@H]1C(=C(O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000524734273 1069837863 /nfs/dbraw/zinc/83/78/63/1069837863.db2.gz OUGHCFNSUKARNM-ANOKCIKSSA-N 0 1 581.491 6.367 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C(=O)Nc3ccc4nc(CC(C)C)[nH]c4c3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000409413495 1069848078 /nfs/dbraw/zinc/84/80/78/1069848078.db2.gz MORUMOGZYRQVLQ-UVMFRMCBSA-N 0 1 655.796 6.013 50 0 KKAAMN O=C(Cc1ccc2c(c1)OCO2)N1CCCC[C@H]1CCOc1cccc(CN2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000102469983 1069859034 /nfs/dbraw/zinc/85/90/34/1069859034.db2.gz TUYRNODSKLRTHV-NDEPHWFRSA-N 0 1 576.137 5.784 50 0 KKAAMN 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O=C(Nc1ccc(-c2nc3ccc(-c4nc5cc(NC(=O)c6ccco6)ccc5[nH]4)cc3[nH]2)cc1)c1ccco1 ZINC000575443910 1071144489 /nfs/dbraw/zinc/14/44/89/1071144489.db2.gz WBHTYSMIMQVTMM-UHFFFAOYSA-N 0 1 528.528 6.464 50 0 KKAAMN O=C(Nc1ccc(-c2nc3cc(-c4nc5ccc(NC(=O)c6ccco6)cc5[nH]4)ccc3[nH]2)cc1)c1ccco1 ZINC000575443910 1071144493 /nfs/dbraw/zinc/14/44/93/1071144493.db2.gz WBHTYSMIMQVTMM-UHFFFAOYSA-N 0 1 528.528 6.464 50 0 KKAAMN CCOC(=O)c1c(NC=C2c3ccccc3C(=O)N(c3cccc(S(=O)(=O)Nc4ccccc4OC)c3)C2=O)sc2c1CC[C@@H](C)C2 ZINC000150386761 1071170430 /nfs/dbraw/zinc/17/04/30/1071170430.db2.gz WQDRWONLFKRIOY-SHBKTDBZSA-N 0 1 671.797 6.499 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC=C2c3ccccc3C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1N1CCCCC1 ZINC000150579946 1071174174 /nfs/dbraw/zinc/17/41/74/1071174174.db2.gz WGQAXQNSYJQYGL-WMMMYUQOSA-N 0 1 636.774 6.743 50 0 KKAAMN O=[P@](/C=C(/Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@@H]2[C@@H]1c1ccc(Cl)cc1 ZINC000226368283 1071185010 /nfs/dbraw/zinc/18/50/10/1071185010.db2.gz PRTIUQQATSLMAY-YWLIQUIZSA-N 0 1 678.427 12.343 50 0 KKAAMN CCOC(=O)N1CCC(N2CCOc3c(cc(-c4csc5ccccc45)cc3O[C@H]3CCOC3)C2)CC1 ZINC000012282835 1071223913 /nfs/dbraw/zinc/22/39/13/1071223913.db2.gz SHLNAEADAZMPGD-QHCPKHFHSA-N 0 1 522.667 5.551 50 0 KKAAMN COc1ccc2ccccc2c1CN1C[C@H](Sc2nc3ccccc3[nH]2)C[C@H]1C(=O)NCc1cccnc1 ZINC000011911371 1071233664 /nfs/dbraw/zinc/23/36/64/1071233664.db2.gz CJMQRTBHXPAIKN-AMGIVPHBSA-N 0 1 523.662 5.171 50 0 KKAAMN Cc1ccc(-c2ccc(C(=O)N3CCC(Oc4cccc(CN(C)Cc5ccsc5)c4)CC3)cc2)cc1 ZINC000011982148 1071234628 /nfs/dbraw/zinc/23/46/28/1071234628.db2.gz FRTMLQDAVXGSKR-UHFFFAOYSA-N 0 1 510.703 7.039 50 0 KKAAMN CCOC(=O)C1CCN(c2nc3c(OC)ccc(OC)c3cc2CNCc2cccc(C(F)(F)F)c2)CC1 ZINC000011998339 1071234659 /nfs/dbraw/zinc/23/46/59/1071234659.db2.gz GGNXUELXQHGAGG-UHFFFAOYSA-N 0 1 531.575 5.340 50 0 KKAAMN CC(=O)N1CCC(N2CCOc3c(cc(-c4csc5ccccc45)cc3OCCc3ccccn3)C2)CC1 ZINC000012182905 1071238334 /nfs/dbraw/zinc/23/83/34/1071238334.db2.gz MGBFVAYLYOHTSU-UHFFFAOYSA-N 0 1 527.690 5.790 50 0 KKAAMN CCOC(=O)N1CCC(N2CCOc3c(cc(-c4ccc(C)s4)cc3OC[C@@H]3CCCCO3)C2)CC1 ZINC000012327172 1071244554 /nfs/dbraw/zinc/24/45/54/1071244554.db2.gz PPQUALLNHMZHCB-DEOSSOPVSA-N 0 1 514.688 5.487 50 0 KKAAMN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c(CCCc2c[nH]c3ccccc23)n1 ZINC000604405131 1071271856 /nfs/dbraw/zinc/27/18/56/1071271856.db2.gz XCNTVFJFDXIERL-CNZKLNFNSA-N 0 1 721.859 6.103 50 0 KKAAMN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(CCCc2c[nH]c3ccccc23)n[nH]1 ZINC000604405131 1071271867 /nfs/dbraw/zinc/27/18/67/1071271867.db2.gz XCNTVFJFDXIERL-CNZKLNFNSA-N 0 1 721.859 6.103 50 0 KKAAMN CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)[C@@H](C(=O)c1ccc(CC(C)C)cc1)[C@]21C(=O)Nc2ccccc21 ZINC000604419551 1071275240 /nfs/dbraw/zinc/27/52/40/1071275240.db2.gz FXHZZFGCWKLNBS-RCFASBGUSA-N 0 1 572.730 7.193 50 0 KKAAMN CCOC(=O)c1ccc(NC=C2c3ccccc3C(=O)N(c3cccc(S(=O)(=O)Nc4ccccc4OC)c3)C2=O)cc1 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ZINC000254799483 1072879994 /nfs/dbraw/zinc/87/99/94/1072879994.db2.gz XXYVSJJTXBBTOJ-VWLOTQADSA-N 0 1 503.624 5.957 50 0 KKAAMN O=C(c1ccccn1)N1CCCC[C@@H]1CCOc1cccc(CN2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000055253213 1072899600 /nfs/dbraw/zinc/89/96/00/1072899600.db2.gz WWDBUEDVHHMCLT-AREMUKBSSA-N 0 1 519.089 5.521 50 0 KKAAMN O=[N+]([O-])c1cccc(-c2nc(-c3ccc(Oc4ccc(-c5[nH]c(-c6cccc([N+](=O)[O-])c6)nc5-c5ccccc5)cc4)cc3)c(-c3ccccc3)[nH]2)c1 ZINC000150490226 1072905288 /nfs/dbraw/zinc/90/52/88/1072905288.db2.gz CIJJXQBWVROVEN-UHFFFAOYSA-N 0 1 696.723 10.744 50 0 KKAAMN O=[N+]([O-])c1cccc(-c2nc(-c3ccccc3)c(-c3ccc(Oc4ccc(-c5[nH]c(-c6cccc([N+](=O)[O-])c6)nc5-c5ccccc5)cc4)cc3)[nH]2)c1 ZINC000150490226 1072905297 /nfs/dbraw/zinc/90/52/97/1072905297.db2.gz CIJJXQBWVROVEN-UHFFFAOYSA-N 0 1 696.723 10.744 50 0 KKAAMN COc1cc(NC(=O)c2ccc(Cl)cc2)c(Cl)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000000671297 551519243 /nfs/dbraw/zinc/51/92/43/551519243.db2.gz WITSTLXRTWLLRU-UHFFFAOYSA-N 0 1 507.439 6.353 50 0 KKAAMN 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CCOc1cc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)cc(Br)c1O ZINC000001238719 551630366 /nfs/dbraw/zinc/63/03/66/551630366.db2.gz RJVSPADDYRLXHJ-XPNTWCBSSA-N 0 1 588.252 5.367 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000001314933 551640343 /nfs/dbraw/zinc/64/03/43/551640343.db2.gz DMRFTMFYUPUYNI-FCEKVYKBSA-N 0 1 554.986 5.619 50 0 KKAAMN O=C(CSc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1Cl ZINC000001406195 551661925 /nfs/dbraw/zinc/66/19/25/551661925.db2.gz XRKBFMHWHZTPAA-UHFFFAOYSA-N 0 1 501.844 6.178 50 0 KKAAMN O=C(Nc1ccc(Br)cc1)c1ccc(Br)c(S(=O)(=O)Nc2cccc(Br)c2)c1 ZINC000001436608 551671184 /nfs/dbraw/zinc/67/11/84/551671184.db2.gz UZDBVJYSIPNFDK-UHFFFAOYSA-N 0 1 589.103 6.027 50 0 KKAAMN O=C(Nc1ccc(Cl)cc1)c1cc(Br)ccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000001504073 551683064 /nfs/dbraw/zinc/68/30/64/551683064.db2.gz MNPOXVZMRSDIJD-UHFFFAOYSA-N 0 1 500.201 5.809 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c2ccc(CC(C)C)cc2)[C@@]12c1ccccc1NC2=O ZINC000001796522 551702896 /nfs/dbraw/zinc/70/28/96/551702896.db2.gz PPYQOMCAUXIBBA-FNNAEHFOSA-N 0 1 560.738 7.172 50 0 KKAAMN O=C1C(Nc2ccc(Br)cc2)=C[C@H](c2ccc(F)cc2)N1c1ccc(Br)cc1 ZINC000001829131 551710976 /nfs/dbraw/zinc/71/09/76/551710976.db2.gz HXJOAKBSYHMSJK-OAQYLSRUSA-N 0 1 502.181 6.435 50 0 KKAAMN CCOC(=O)c1c2cc(O)c(Br)cc2n(S(=O)(=O)c2ccc(C)cc2)c1CSc1ccccc1 ZINC000002075158 551749701 /nfs/dbraw/zinc/74/97/01/551749701.db2.gz DBQGCVITMIEWMR-UHFFFAOYSA-N 0 1 560.491 6.124 50 0 KKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(Br)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000002311716 552090943 /nfs/dbraw/zinc/09/09/43/552090943.db2.gz VLYVFFQCIYDANP-FQJHJXCSSA-N 0 1 547.836 5.665 50 0 KKAAMN CCN(CC)CC(=O)N1c2ccccc2CCc2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc21 ZINC000002337133 552097297 /nfs/dbraw/zinc/09/72/97/552097297.db2.gz BSSZXDJYYOVOMY-UHFFFAOYSA-N 0 1 517.626 5.070 50 0 KKAAMN O=C(Nc1ccc(Cl)cc1)[C@@H]1C(C(=O)c2ccco2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000002340939 552098121 /nfs/dbraw/zinc/09/81/21/552098121.db2.gz CZMMBSYTMMDSBZ-BYBRNZAOSA-N 0 1 535.987 5.545 50 0 KKAAMN O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@H](C(=O)c2ccco2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000002340939 552098123 /nfs/dbraw/zinc/09/81/23/552098123.db2.gz CZMMBSYTMMDSBZ-BYBRNZAOSA-N 0 1 535.987 5.545 50 0 KKAAMN O=C1C(Nc2cccc(Br)c2)=C[C@@H](c2cccc3ccccc32)N1c1cccc(Br)c1 ZINC000002348878 552099411 /nfs/dbraw/zinc/09/94/11/552099411.db2.gz GBPLFBLZLNSZLR-VWLOTQADSA-N 0 1 534.251 7.449 50 0 KKAAMN COc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN(C)C)ccc1OCc1ccccc1Cl ZINC000002402032 552111479 /nfs/dbraw/zinc/11/14/79/552111479.db2.gz CGJPRHXBMRSSLE-AREMUKBSSA-N 0 1 518.997 5.141 50 0 KKAAMN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)c(Cl)cc1Cl ZINC000002653392 552147718 /nfs/dbraw/zinc/14/77/18/552147718.db2.gz MVOASPWZFUUHEK-INIZCTEOSA-N 0 1 567.466 6.549 50 0 KKAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(-c4cccs4)nc4ccccc43)cc2)n1 ZINC000002709353 552160704 /nfs/dbraw/zinc/16/07/04/552160704.db2.gz OGWXHSSLVZOSRC-UHFFFAOYSA-N 0 1 501.593 5.115 50 0 KKAAMN CCOc1cc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCN(C)C)ccc1OCc1ccccc1 ZINC000002853827 552201861 /nfs/dbraw/zinc/20/18/61/552201861.db2.gz QQPKHIVFSTZNRJ-MHZLTWQESA-N 0 1 533.024 5.531 50 0 KKAAMN COc1cc(OC)cc(-c2nc(-c3ccccc3Br)c(-c3ccc(Br)cc3)[nH]2)c1 ZINC000002921511 552220715 /nfs/dbraw/zinc/22/07/15/552220715.db2.gz VXNFWITXGJCNMK-UHFFFAOYSA-N 0 1 514.217 6.953 50 0 KKAAMN O=C(NCCc1c[nH]c2ccccc12)c1ccc(Cn2c(=O)c3cc(Br)ccc3[nH]c2=S)cc1 ZINC000002973685 552245476 /nfs/dbraw/zinc/24/54/76/552245476.db2.gz VVCQHJSKSOEXQA-UHFFFAOYSA-N 0 1 533.451 5.324 50 0 KKAAMN Cc1oc(-c2cccc(Br)c2)nc1CN1CCC(C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000003029590 552267973 /nfs/dbraw/zinc/26/79/73/552267973.db2.gz JZCMPPRTQMKQNN-UHFFFAOYSA-N 0 1 502.840 5.594 50 0 KKAAMN Cc1ccc(-c2nc(N[P@@](=O)(/C=C(/Cl)c3ccccc3)/C=C(\Cl)c3ccccc3)sc2-c2ccccc2)cc1 ZINC000003164794 552297994 /nfs/dbraw/zinc/29/79/94/552297994.db2.gz RJMDAHFVWHWAFB-FJYRUYPUSA-N 0 1 587.512 10.950 50 0 KKAAMN CCn1c2ccccc2c2cc(N[P@@](=O)(/C=C(/Cl)c3ccccc3)/C=C(\Cl)c3ccccc3)ccc21 ZINC000003185108 552301311 /nfs/dbraw/zinc/30/13/11/552301311.db2.gz VBQBDHFVGAQWDG-LKZLBIQXSA-N 0 1 531.423 9.979 50 0 KKAAMN O=C(c1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(Cl)cc1Cl)N1CCN(c2ccc(O)cc2)CC1 ZINC000003218299 552309003 /nfs/dbraw/zinc/30/90/03/552309003.db2.gz WNDKGKYCEDOQIY-UHFFFAOYSA-N 0 1 540.856 5.116 50 0 KKAAMN CCOc1ccc2nc(NC(=O)c3ccc(Cl)c(S(=O)(=O)Nc4ccc(Br)cc4)c3)sc2c1 ZINC000003230706 552315259 /nfs/dbraw/zinc/31/52/59/552315259.db2.gz LKLBAKFDQCJWNZ-UHFFFAOYSA-N 0 1 566.886 6.164 50 0 KKAAMN O=C(NCc1ccc2c(c1)OCO2)c1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(Cl)cc1Cl ZINC000003253467 552323618 /nfs/dbraw/zinc/32/36/18/552323618.db2.gz AYVNXGVRPKRBQF-UHFFFAOYSA-N 0 1 513.786 5.106 50 0 KKAAMN COc1cc(OC)c(NS(=O)(=O)c2ccc(C)c(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccccc3)c2)cc1Cl ZINC000003273463 552332855 /nfs/dbraw/zinc/33/28/55/552332855.db2.gz CDYZJDQNMUOPKH-GDLZYMKVSA-N 0 1 580.058 6.247 50 0 KKAAMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(N4CCOCC4)cc3)c(Cl)cc2Cl)c1 ZINC000003316613 552354209 /nfs/dbraw/zinc/35/42/09/552354209.db2.gz OHWFZNVASOZODA-UHFFFAOYSA-N 0 1 520.438 5.192 50 0 KKAAMN Cc1cc(C(=O)COC(=O)c2ccccc2NS(=O)(=O)c2cc(C)ccc2C)c(C)n1Cc1ccco1 ZINC000003413962 552382545 /nfs/dbraw/zinc/38/25/45/552382545.db2.gz KTTKRBVQRRACSZ-UHFFFAOYSA-N 0 1 520.607 5.204 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCCN2CCN(c3ccccc3)CC2)cc1 ZINC000004762093 552478830 /nfs/dbraw/zinc/47/88/30/552478830.db2.gz MNEXNVCVZJIIJZ-YTTGMZPUSA-N 0 1 629.827 5.417 50 0 KKAAMN O=C(C[C@@H]1C(=O)N(c2cccc(Cl)c2)C(=S)N1CCCN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(Cl)cc1 ZINC000004762187 552479094 /nfs/dbraw/zinc/47/90/94/552479094.db2.gz AHDLXXHBIYXABX-HHHXNRCGSA-N 0 1 614.574 5.676 50 0 KKAAMN O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4cc5[nH]cnc5cc4nc3-c3ccccc3)cc2)CC1 ZINC000004846183 552488380 /nfs/dbraw/zinc/48/83/80/552488380.db2.gz BIWGYFZAEWGBAL-UHFFFAOYSA-N 0 1 551.654 6.320 50 0 in-vitro KKAAMN O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4cc5nc[nH]c5cc4nc3-c3ccccc3)cc2)CC1 ZINC000004846183 552488381 /nfs/dbraw/zinc/48/83/81/552488381.db2.gz BIWGYFZAEWGBAL-UHFFFAOYSA-N 0 1 551.654 6.320 50 0 in-vitro KKAAMN CCOc1ccc(NC=C2c3ccccc3C(=O)N(c3cccc(S(=O)(=O)Nc4ccccc4OC)c3)C2=O)cc1 ZINC000005940479 552513394 /nfs/dbraw/zinc/51/33/94/552513394.db2.gz ZCVXWYNVICYIHQ-NHFJDJAPSA-N 0 1 569.639 5.535 50 0 KKAAMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccc4ccccc43)ccc2OC)cc1Br ZINC000005940587 552513691 /nfs/dbraw/zinc/51/36/91/552513691.db2.gz XIZMQTSUQPIPFK-UHFFFAOYSA-N 0 1 555.450 6.063 50 0 KKAAMN O=C(Nc1ccc(Oc2ccc3ccccc3c2Cl)c(Cl)c1)c1cc2ccccc2cc1NS(=O)(=O)c1ccccc1 ZINC000006089022 552530996 /nfs/dbraw/zinc/53/09/96/552530996.db2.gz RQRRGUSKPRUJCZ-UHFFFAOYSA-N 0 1 613.522 9.145 50 0 KKAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3sc4nc(-c5ccccc5)cc(C(F)(F)F)c4c3N)cc2)n1 ZINC000006110688 552534456 /nfs/dbraw/zinc/53/44/56/552534456.db2.gz USSJRTOOFPFWTP-UHFFFAOYSA-N 0 1 598.632 6.024 50 0 KKAAMN Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)c2ccccc2NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)c2ccccc2)c1 ZINC000006141364 552542974 /nfs/dbraw/zinc/54/29/74/552542974.db2.gz ISKVXGMVAHAIGJ-HKBQPEDESA-N 0 1 584.738 7.247 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc(I)cc2C)cc1 ZINC000006144646 552547029 /nfs/dbraw/zinc/54/70/29/552547029.db2.gz HVESPIMFHNKLCT-NTEUORMPSA-N 0 1 548.402 5.061 50 0 KKAAMN CC(C)N(c1ccccc1)c1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000006146050 552547633 /nfs/dbraw/zinc/54/76/33/552547633.db2.gz BEHLQJDXOXQNAB-UHFFFAOYSA-N 0 1 503.599 6.425 50 0 KKAAMN CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(C(=O)Nc3ccc(OC)cc3)cc2)cc1 ZINC000006146290 552548034 /nfs/dbraw/zinc/54/80/34/552548034.db2.gz QABLRLOABSOKRF-UHFFFAOYSA-N 0 1 545.617 5.399 50 0 KKAAMN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1OC ZINC000006146440 552548232 /nfs/dbraw/zinc/54/82/32/552548232.db2.gz ULCBNBSCTBMEBL-UHFFFAOYSA-N 0 1 513.572 5.020 50 0 KKAAMN CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)c4ccc(OC)cc4)c(CN(CCC)CCC)c3oc2C(F)(F)F)cc1 ZINC000006166814 552556928 /nfs/dbraw/zinc/55/69/28/552556928.db2.gz FPGFOBGMFYGICZ-UHFFFAOYSA-N 0 1 611.657 8.406 50 0 KKAAMN CCCN(CCC)Cc1c(OC(=O)c2ccc(F)cc2)ccc2c(=O)c(Oc3ccc(Cl)c(C)c3)c(C(F)(F)F)oc21 ZINC000006166808 552556939 /nfs/dbraw/zinc/55/69/39/552556939.db2.gz JJRFNWUOZWUWHZ-UHFFFAOYSA-N 0 1 606.012 8.546 50 0 KKAAMN COc1cc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5cc(OC)c(OC)c(OC)c5)cc4[nH]3)cc2)cc(OC)c1OC ZINC000006239265 552572725 /nfs/dbraw/zinc/57/27/25/552572725.db2.gz OYIKABKIQMGRMU-UHFFFAOYSA-N 0 1 612.639 5.786 50 0 KKAAMN c1coc(-c2nc(-c3ccccc3)c(-c3ccc4oc5ccc(-c6nc(-c7ccco7)[nH]c6-c6ccccc6)cc5c4c3)[nH]2)c1 ZINC000008397190 552996504 /nfs/dbraw/zinc/99/65/04/552996504.db2.gz YCXIPQXJWVRRNM-UHFFFAOYSA-N 0 1 584.635 10.220 50 0 KKAAMN c1coc(-c2nc(-c3ccc4oc5ccc(-c6nc(-c7ccco7)[nH]c6-c6ccccc6)cc5c4c3)c(-c3ccccc3)[nH]2)c1 ZINC000008397190 552996508 /nfs/dbraw/zinc/99/65/08/552996508.db2.gz YCXIPQXJWVRRNM-UHFFFAOYSA-N 0 1 584.635 10.220 50 0 KKAAMN CC(C)(C)c1cc(-c2nc(-c3ccc(C(=O)c4ccc(F)cc4)cc3)c(-c3ccccc3)[nH]2)cc(C(C)(C)C)c1O ZINC000008426388 553018423 /nfs/dbraw/zinc/01/84/23/553018423.db2.gz VSFJJPJAVBJNJT-UHFFFAOYSA-N 0 1 546.686 9.081 50 0 KKAAMN COC(=O)[C@](NC(=O)c1ccc(Cl)cc1Cl)(Nc1nc2ccc(C(C)C)cc2s1)C(F)(F)F ZINC000008445399 553054163 /nfs/dbraw/zinc/05/41/63/553054163.db2.gz UZAPHNNWVBVROL-FQEVSTJZSA-N 0 1 520.360 6.000 50 0 KKAAMN CCC(=O)c1ccc(CN2CCC(C(O)(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000008448316 553055819 /nfs/dbraw/zinc/05/58/19/553055819.db2.gz PDVCYTGLKVNGHX-UHFFFAOYSA-N 0 1 581.553 7.225 50 0 KKAAMN Cc1ccc(-n2ncc(C(=O)N3CCN(C4CCCCC4)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC000008597319 553092451 /nfs/dbraw/zinc/09/24/51/553092451.db2.gz PBDWAJNZHVWRAV-UHFFFAOYSA-N 0 1 549.760 5.694 50 0 KKAAMN CCOc1cc([C@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2Cc2ccccc2Cl)ccc1O ZINC000008845164 553165475 /nfs/dbraw/zinc/16/54/75/553165475.db2.gz ZBLTXNGNLXBQRN-SANMLTNESA-N 0 1 503.986 5.902 50 0 KKAAMN COc1cc2nc(SCc3cnc(Cl)s3)n3c(CC4CCCCC4)c(O)nc3c2cc1OC ZINC000008873895 553174905 /nfs/dbraw/zinc/17/49/05/553174905.db2.gz DYLXHTGZJCUJHT-QGZVFWFLSA-N 0 1 505.065 5.676 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccncc2)[C@]12C(=O)Nc1ccccc12 ZINC000009111274 553210349 /nfs/dbraw/zinc/21/03/49/553210349.db2.gz ZWIGVAWXIVDOOY-CTMYTVLESA-N 0 1 525.608 5.636 50 0 KKAAMN CCc1ccc([C@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000009123780 553212542 /nfs/dbraw/zinc/21/25/42/553212542.db2.gz BNODCUSTPJMODB-LJAQVGFWSA-N 0 1 511.622 5.767 50 0 KKAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@@H](c2ccc(Br)cc2)N(Cc2cccnc2)C3=O)cc1Cl ZINC000009243323 553226737 /nfs/dbraw/zinc/22/67/37/553226737.db2.gz VRICVKJQXOAYBY-HSZRJFAPSA-N 0 1 509.791 5.647 50 0 KKAAMN CCOc1cc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2Cc2ccc(C)cc2)ccc1O ZINC000009243650 553226803 /nfs/dbraw/zinc/22/68/03/553226803.db2.gz JAZKBTOPMCOZHB-MHZLTWQESA-N 0 1 503.986 5.902 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccc(F)cc5)nc4c32)cc1 ZINC000009281544 553233446 /nfs/dbraw/zinc/23/34/46/553233446.db2.gz NHAWFSRCHIYNBD-DEOSSOPVSA-N 0 1 504.525 5.719 50 0 KKAAMN COc1cc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCCO)ccc1OCCC(C)C ZINC000009293113 553235282 /nfs/dbraw/zinc/23/52/82/553235282.db2.gz HHMQVOSGEZSVPL-SANMLTNESA-N 0 1 514.022 5.105 50 0 KKAAMN O=C(c1cccs1)[C@@H]1C(=C(O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000009309392 553238355 /nfs/dbraw/zinc/23/83/55/553238355.db2.gz MBAMLEPQTJUKSS-ANOKCIKSSA-N 0 1 502.595 5.604 50 0 KKAAMN FC(F)Oc1cccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCN([C@@H]3CCCc4ccccc43)CC2)c1 ZINC000009331657 553242702 /nfs/dbraw/zinc/24/27/02/553242702.db2.gz CTHQDRHOBNALTE-IZLXSDGUSA-N 0 1 515.604 6.701 50 0 KKAAMN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCCN2CCN(c3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000009407172 553256828 /nfs/dbraw/zinc/25/68/28/553256828.db2.gz VJTDEFHECFLXHS-WDYNHAJCSA-N 0 1 530.738 5.013 50 0 KKAAMN COc1ccccc1C1c2c(C)nn(-c3ccccc3)c2Oc2ncn3nc(-c4ccc(F)cc4)nc3c21 ZINC000009446796 553265718 /nfs/dbraw/zinc/26/57/18/553265718.db2.gz HCOQHQMHBGYEOS-DEOSSOPVSA-N 0 1 504.525 5.719 50 0 KKAAMN O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000009490028 553273603 /nfs/dbraw/zinc/27/36/03/553273603.db2.gz YEDWEPCCTNTLQQ-UHFFFAOYSA-N 0 1 500.194 5.697 50 0 KKAAMN CCN(CC)CCN(C(=O)c1ccc(C(=O)c2ccccc2)cc1)c1nc2cc3c(cc2s1)OCO3 ZINC000010066848 553327872 /nfs/dbraw/zinc/32/78/72/553327872.db2.gz NPWGKRNGQCVQNB-UHFFFAOYSA-N 0 1 501.608 5.245 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)ccc1N1CCCCC1 ZINC000012312041 553358054 /nfs/dbraw/zinc/35/80/54/553358054.db2.gz XPVKQJBPRLCXOK-UHFFFAOYSA-N 0 1 523.699 5.641 50 0 KKAAMN Brc1ccc(N=[P@@](c2ccccc2)([C@@H]2CCCC=C2N2CCOCC2)N2CCOCC2)cc1 ZINC000013301178 553457832 /nfs/dbraw/zinc/45/78/32/553457832.db2.gz BHWBEBOUVXNHCN-UTONBFNKSA-N 0 1 530.447 5.623 50 0 KKAAMN O=[P@](/C=C(/Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)N(C1CCCCC1)C1CCCCC1 ZINC000013304771 553458237 /nfs/dbraw/zinc/45/82/37/553458237.db2.gz PFHWGDVLAIYXGA-KKTFQPMKSA-N 0 1 502.466 9.707 50 0 KKAAMN Clc1ccccc1C1=NN2[C@@H](C1)c1cc(Br)ccc1OC21CCN(Cc2ccccc2)CC1 ZINC000013582276 553475787 /nfs/dbraw/zinc/47/57/87/553475787.db2.gz UTDMRAJDKWAHBY-VWLOTQADSA-N 0 1 522.874 6.638 50 0 KKAAMN CCN1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccc(Cl)cc4Cl)cc2)N3)C1 ZINC000015947273 553545033 /nfs/dbraw/zinc/54/50/33/553545033.db2.gz PCJZLEHPKDVDPF-NRFANRHFSA-N 0 1 502.423 6.081 50 0 KKAAMN Cc1cccc(-n2[nH]c(Cc3ccccc3C)c(C=C3NC(=O)N(Cc4ccccc4C)C3=O)c2=O)c1C ZINC000016534144 553567541 /nfs/dbraw/zinc/56/75/41/553567541.db2.gz TZTDVMYRXLBHSC-PKAZHMFMSA-N 0 1 506.606 5.495 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4cccc(OC)c4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000018045965 553602177 /nfs/dbraw/zinc/60/21/77/553602177.db2.gz SEBWNEDSEFFUBN-FCEKVYKBSA-N 0 1 516.594 5.324 50 0 KKAAMN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(OC)c4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000018045965 553602180 /nfs/dbraw/zinc/60/21/80/553602180.db2.gz SEBWNEDSEFFUBN-FCEKVYKBSA-N 0 1 516.594 5.324 50 0 KKAAMN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000018101660 553604465 /nfs/dbraw/zinc/60/44/65/553604465.db2.gz KXJMVBKSEQZRNO-IARZGTGTSA-N 0 1 500.595 5.624 50 0 KKAAMN c1ccc(Nc2nc(Nc3ccccc3)nc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)cc1 ZINC000018116371 553605041 /nfs/dbraw/zinc/60/50/41/553605041.db2.gz YGOXLOXHJYJBMN-UHFFFAOYSA-N 0 1 513.649 6.270 50 0 KKAAMN COc1ccc(C(O)=C2[C@@H](C(=O)c3cccc(OC)c3)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000070687025 553605816 /nfs/dbraw/zinc/60/58/16/553605816.db2.gz ZTYDDRLGGLFHNO-RCFASBGUSA-N 0 1 570.645 5.950 50 0 biogenic KKAAMN COc1ccc(C(=O)[C@@H]2C(=C(O)c3ccc(OC)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)cc1 ZINC000070686965 553605893 /nfs/dbraw/zinc/60/58/93/553605893.db2.gz ATZUGKXQINDWCH-RCFASBGUSA-N 0 1 570.645 5.950 50 0 biogenic KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccccc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4cc(C)ccc4N32)c1 ZINC000070687112 553606157 /nfs/dbraw/zinc/60/61/57/553606157.db2.gz OHFUJNZLLGQHOQ-RCFASBGUSA-N 0 1 554.646 6.250 50 0 biogenic KKAAMN C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(C(c5ccc(F)cc5)c5ccc(F)cc5)CC4)[C@H]3C=C12 ZINC000070687179 553606364 /nfs/dbraw/zinc/60/63/64/553606364.db2.gz LQRYJSOKRCGDGI-RAKGNZCGSA-N 0 1 520.664 5.986 50 0 biogenic KKAAMN COc1cccc(C(O)=C2[C@@H](C(=O)c3ccccc3)N3c4cc(C)ccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000070687439 553606743 /nfs/dbraw/zinc/60/67/43/553606743.db2.gz DQMVSUUQBHPODX-ZXFZPVEDSA-N 0 1 540.619 5.860 50 0 biogenic KKAAMN Cc1ccc2c(c1C)NC(=O)[C@]21N2CCC[C@H]2[C@@H](C(=O)c2ccc(OC(C)C)cc2)[C@@]12c1ccccc1NC2=O ZINC000070700615 553618866 /nfs/dbraw/zinc/61/88/66/553618866.db2.gz PZJDKLQOLQQWQS-MRPYTORDSA-N 0 1 535.644 5.105 50 0 biogenic KKAAMN Cc1ccc(Cl)cc1-n1c(CCCCC2N=NC(=S)N2c2cc(Cl)ccc2C)n[nH]c1=S ZINC000020407216 553646026 /nfs/dbraw/zinc/64/60/26/553646026.db2.gz ZMEGTDCKHSLYPW-UHFFFAOYSA-N 0 1 505.500 6.288 50 0 KKAAMN CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCCN(Cc4ccccc4C(F)(F)F)CC3)nc2)cc1 ZINC000096281047 553737199 /nfs/dbraw/zinc/73/71/99/553737199.db2.gz IXQVZDUIGNXCBA-UHFFFAOYSA-N 0 1 510.604 6.363 50 0 KKAAMN CCc1ccc(-c2n[nH]c(S[C@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c3ccccc3)n2)cc1 ZINC000024769820 553792133 /nfs/dbraw/zinc/79/21/33/553792133.db2.gz IEJHJLMXGRLUAJ-NRFANRHFSA-N 0 1 516.976 7.178 50 0 KKAAMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CSc3nnc(-c4ccccc4)n3C3CCCCC3)cc2)n1 ZINC000097948330 553793138 /nfs/dbraw/zinc/79/31/38/553793138.db2.gz RLSQTAOBQSSMAI-UHFFFAOYSA-N 0 1 563.709 5.080 50 0 KKAAMN C[C@H](NC(=O)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)cc1)c1ccc(Br)cc1 ZINC000025145949 553794986 /nfs/dbraw/zinc/79/49/86/553794986.db2.gz OUJXWVFNRPHDHC-HNNXBMFYSA-N 0 1 514.345 7.016 50 0 KKAAMN Brc1ccc2c(c1)[C@@H]1CC(c3ccc4ccccc4c3)=NN1C1(CCN(Cc3ccccc3)CC1)O2 ZINC000097951557 553809653 /nfs/dbraw/zinc/80/96/53/553809653.db2.gz IHGJZNMYUSHNPN-LJAQVGFWSA-N 0 1 538.489 7.138 50 0 KKAAMN COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2OC32CCN(Cc3ccccc3)CC2)c(OC)c1 ZINC000097952637 553817397 /nfs/dbraw/zinc/81/73/97/553817397.db2.gz RRHZKBSJMFZBRD-SANMLTNESA-N 0 1 548.481 6.002 50 0 KKAAMN COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2OC32CCN(Cc3ccccc3)CC2)c(OC)c1 ZINC000097952638 553817426 /nfs/dbraw/zinc/81/74/26/553817426.db2.gz RRHZKBSJMFZBRD-AREMUKBSSA-N 0 1 548.481 6.002 50 0 KKAAMN Oc1c2c(c(O)n1-c1ccc(Cl)c(Cl)c1)[C@@H](c1cc3ccccc3nc1Cl)N(c1ccccc1)O2 ZINC000097953098 553819227 /nfs/dbraw/zinc/81/92/27/553819227.db2.gz BVKLXVDDFCVWMA-DNVJHFABSA-N 0 1 524.791 6.246 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccc(N(C)C)cc5)nc4c32)cc1 ZINC000097954066 553820939 /nfs/dbraw/zinc/82/09/39/553820939.db2.gz IZJIHTITNFHUMZ-SANMLTNESA-N 0 1 529.604 5.646 50 0 KKAAMN Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1)c1c3nc(-c4ccc5ccccc5c4O)nn3cnc1O2 ZINC000097954527 553823841 /nfs/dbraw/zinc/82/38/41/553823841.db2.gz TXOICNQXLKXRJP-SANMLTNESA-N 0 1 522.568 6.430 50 0 KKAAMN CCCCOc1ccc([C@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1 ZINC000027522885 553829656 /nfs/dbraw/zinc/82/96/56/553829656.db2.gz AGWKTPYZKLLUEU-ZEQRLZLVSA-N 0 1 508.496 5.637 50 0 KKAAMN CCCCOc1ccc([C@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1 ZINC000027522881 553829696 /nfs/dbraw/zinc/82/96/96/553829696.db2.gz AGWKTPYZKLLUEU-BJKOFHAPSA-N 0 1 508.496 5.637 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4cccc(Cl)c4)c3Oc3ncn4nc(-c5ccncc5)nc4c32)cc1 ZINC000097956610 553840147 /nfs/dbraw/zinc/84/01/47/553840147.db2.gz PZNKLDULJZWNFD-HSZRJFAPSA-N 0 1 521.968 5.628 50 0 KKAAMN CC(C)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097957489 553846281 /nfs/dbraw/zinc/84/62/81/553846281.db2.gz KWJQBJTVWLCZIT-UHFFFAOYSA-N 0 1 540.736 5.294 50 0 KKAAMN CN1C(=O)/C(=C/c2cccc(Cl)c2)Sc2ccc(C(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)cc21 ZINC000029749947 553853174 /nfs/dbraw/zinc/85/31/74/553853174.db2.gz HPWCLZWRVVXJJL-VEILYXNESA-N 0 1 581.569 6.045 50 0 KKAAMN CC(C)c1ccc(N2C(=O)CS[C@@]23c2ccccc2N(CN2CCN(C(c4ccccc4)c4ccccc4)CC2)C3=O)cc1 ZINC000033354291 553929199 /nfs/dbraw/zinc/92/91/99/553929199.db2.gz XLZRLVQDDPECMS-DIPNUNPCSA-N 0 1 602.804 6.454 50 0 KKAAMN Cc1nnc(SCC(=O)Nc2ccc(-c3nc4ccc(NC(=O)CSc5nnc(C)s5)cc4[nH]3)cc2)s1 ZINC000033355530 553935299 /nfs/dbraw/zinc/93/52/99/553935299.db2.gz KEIQZXWGERKLFM-UHFFFAOYSA-N 0 1 568.735 5.011 50 0 KKAAMN CCOc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(F)c2)cc1 ZINC000033358415 553955440 /nfs/dbraw/zinc/95/54/40/553955440.db2.gz BUOWEROSIHYZMS-PKTZIBPZSA-N 0 1 582.242 6.899 50 0 KKAAMN CCOc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(F)c2)cc1 ZINC000033358416 553955576 /nfs/dbraw/zinc/95/55/76/553955576.db2.gz BUOWEROSIHYZMS-GOTSBHOMSA-N 0 1 582.242 6.899 50 0 KKAAMN O=C1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@H](c2cccs2)N1c1ccc(Br)cc1 ZINC000033358460 553956097 /nfs/dbraw/zinc/95/60/97/553956097.db2.gz ZKOYIFLQLLXZRK-ZWKOTPCHSA-N 0 1 591.097 6.877 50 0 KKAAMN CN1CC2=C(N=C3SC=C(c4ccc(Cl)cc4)N3[C@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 ZINC000033905917 553976340 /nfs/dbraw/zinc/97/63/40/553976340.db2.gz FTKWEAPMPISEDC-BSKIJULFSA-N 0 1 518.032 7.359 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)/C=C/c2ccc(OS(=O)(=O)c3cc(C)ccc3C)c(OC)c2)ccc1N1CCCC1 ZINC000097980130 553985511 /nfs/dbraw/zinc/98/55/11/553985511.db2.gz VMDLSRDELKABJJ-NBVRZTHBSA-N 0 1 691.828 6.141 50 0 KKAAMN COc1ccc(N(C(=O)c2ccc(C)cc2)C2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1 ZINC000034682826 553985540 /nfs/dbraw/zinc/98/55/40/553985540.db2.gz OFNPZDCKFGSZNF-UHFFFAOYSA-N 0 1 506.646 7.107 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3cccc(C)c3C)C2=O)c1 ZINC000097980472 553989028 /nfs/dbraw/zinc/98/90/28/553989028.db2.gz WFISOPBCPWGZBV-LGUFXXKBSA-N 0 1 553.640 5.753 50 0 KKAAMN Cc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)c(C2CCN(C(=O)c3cccc(Cl)c3)CC2)n1 ZINC000034729601 553996992 /nfs/dbraw/zinc/99/69/92/553996992.db2.gz YZMSTUAABXDHEU-UHFFFAOYSA-N 0 1 509.094 5.154 50 0 KKAAMN Cc1ccc(N2CCCN(Cc3ccc(C(F)(F)F)cc3)C2=O)c(NS(=O)(=O)c2ccccc2)c1 ZINC000034737688 553998480 /nfs/dbraw/zinc/99/84/80/553998480.db2.gz IAVUGWKYMAVNBZ-UHFFFAOYSA-N 0 1 503.546 5.647 50 0 KKAAMN CCCCOc1ccc(C(=O)N(Cc2c(C)nn(-c3ccccc3)c2N2CCN(CC)CC2)CC(C)C)cc1 ZINC000034829538 554011895 /nfs/dbraw/zinc/01/18/95/554011895.db2.gz HYBHEQZASWRYLM-UHFFFAOYSA-N 0 1 531.745 5.800 50 0 KKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000034829564 554012000 /nfs/dbraw/zinc/01/20/00/554012000.db2.gz QGYAZLQBDPONHA-UHFFFAOYSA-N 0 1 531.726 5.077 50 0 KKAAMN Cc1ccccc1C(=O)N1CCCN(C(=O)[C@H](C)N2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000034830400 554015773 /nfs/dbraw/zinc/01/57/73/554015773.db2.gz LUQQPNLBSSZAGB-NEKDWFFYSA-N 0 1 501.696 5.076 50 0 KKAAMN CCN1CCN(c2c(CN(CCC(C)C)C(=O)Nc3cccc4ccccc43)c(C)nn2-c2ccccc2)CC1 ZINC000034832220 554017969 /nfs/dbraw/zinc/01/79/69/554017969.db2.gz SCCDNJSULUQXAQ-UHFFFAOYSA-N 0 1 538.740 6.556 50 0 KKAAMN Cc1nn(-c2ccccc2)c(N2CCN(C)CC2)c1CN(CCC(C)C)C(=O)c1ccc(Cl)cc1Cl ZINC000034834618 554018726 /nfs/dbraw/zinc/01/87/26/554018726.db2.gz QUBNNBUONZHOIE-UHFFFAOYSA-N 0 1 528.528 5.928 50 0 KKAAMN CCc1nn(-c2ccc(F)cc2)c(N2CCN(C(C)C)CC2)c1CN(CC(C)C)C(=O)Cc1ccc(F)cc1 ZINC000034835348 554019677 /nfs/dbraw/zinc/01/96/77/554019677.db2.gz VGJBOBFNADTXJN-UHFFFAOYSA-N 0 1 537.699 5.471 50 0 KKAAMN CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(C(C)C)CC1)C(=O)Cc1ccc(F)cc1 ZINC000034835445 554019901 /nfs/dbraw/zinc/01/99/01/554019901.db2.gz BWJJBRQCZNRCPC-UHFFFAOYSA-N 0 1 523.672 5.225 50 0 KKAAMN CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(C(C)C)CC1)C(=O)c1cccc(OC)c1 ZINC000034835452 554019918 /nfs/dbraw/zinc/01/99/18/554019918.db2.gz XMYWYWHMDPJKJO-UHFFFAOYSA-N 0 1 521.681 5.165 50 0 KKAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)c(F)c1)C(c1ccc(Br)cc1)=N2 ZINC000035397212 554047827 /nfs/dbraw/zinc/04/78/27/554047827.db2.gz VSVWDUIAFLTCFP-UHFFFAOYSA-N 0 1 521.431 5.112 50 0 KKAAMN COC(=O)c1c(C)c(C)sc1Nc1nc2ccccc2nc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000098000089 554048394 /nfs/dbraw/zinc/04/83/94/554048394.db2.gz JCGHTPUMEZYGQS-UHFFFAOYSA-N 0 1 563.727 6.750 50 0 KKAAMN O=C(Nc1ccccc1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(C(=O)NC2CCCCC2)c1 ZINC000035707377 554065233 /nfs/dbraw/zinc/06/52/33/554065233.db2.gz SRDNXDHQJBLGFM-UHFFFAOYSA-N 0 1 511.670 5.715 50 0 KKAAMN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CCN2CCCCC2)C(=O)c2ccc(C)cc2)o1 ZINC000035809327 554078017 /nfs/dbraw/zinc/07/80/17/554078017.db2.gz NHAJHBQADFYNTI-UHFFFAOYSA-N 0 1 501.671 5.096 50 0 KKAAMN CCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COC(C)C ZINC000035842575 554080914 /nfs/dbraw/zinc/08/09/14/554080914.db2.gz IYXBNZXIMFGNHV-MUUNZHRXSA-N 0 1 521.746 5.535 50 0 KKAAMN O=C(c1ccccc1F)[C@@H]1C(=C(O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000035843223 554081511 /nfs/dbraw/zinc/08/15/11/554081511.db2.gz JWRRNYZTZWGEFD-YGGCMVMVSA-N 0 1 514.556 5.682 50 0 KKAAMN COCc1cc(N2CCN(Cc3ccccc3)CC2)nc(SCc2ccc(C(=O)N(C)Cc3ccccc3)o2)n1 ZINC000098015165 554096608 /nfs/dbraw/zinc/09/66/08/554096608.db2.gz WXIPAUIOGVMCCG-UHFFFAOYSA-N 0 1 557.720 5.103 50 0 KKAAMN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CCN2CCCCC2)C(=O)c2ccc(Cl)cc2Cl)s1 ZINC000098019573 554113221 /nfs/dbraw/zinc/11/32/21/554113221.db2.gz ZTYKISDEKXNCLV-UHFFFAOYSA-N 0 1 576.565 6.660 50 0 KKAAMN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CCN2CCCC2)C(=O)c2ccc(Cl)cc2Cl)o1 ZINC000098019653 554113499 /nfs/dbraw/zinc/11/34/99/554113499.db2.gz AEFVXGOFHJYMGG-UHFFFAOYSA-N 0 1 542.507 5.704 50 0 KKAAMN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CCN2CCCC2)C(=O)c2ccc(Cl)cc2Cl)cc1OC ZINC000098019705 554114082 /nfs/dbraw/zinc/11/40/82/554114082.db2.gz JFIZXTOGZUMPBY-UHFFFAOYSA-N 0 1 602.559 5.722 50 0 KKAAMN Clc1cccc(-c2nc(-c3ccc4c(c3)oc3cc(-c5[nH]c(-c6cccc(Cl)c6)nc5-c5ccccc5)ccc34)c(-c3ccccc3)[nH]2)c1 ZINC000098023063 554120222 /nfs/dbraw/zinc/12/02/22/554120222.db2.gz VTHNBJCOUKWSAH-UHFFFAOYSA-N 0 1 673.603 12.341 50 0 KKAAMN Clc1cccc(-c2nc(-c3ccc4c(c3)oc3cc(-c5nc(-c6cccc(Cl)c6)[nH]c5-c5ccccc5)ccc34)c(-c3ccccc3)[nH]2)c1 ZINC000098023063 554120225 /nfs/dbraw/zinc/12/02/25/554120225.db2.gz VTHNBJCOUKWSAH-UHFFFAOYSA-N 0 1 673.603 12.341 50 0 KKAAMN COc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2cccc(Br)c2)cc1Cl ZINC000098049895 554169743 /nfs/dbraw/zinc/16/97/43/554169743.db2.gz BPVDEFDBNNODLT-NHCUHLMSSA-N 0 1 649.539 7.477 50 0 KKAAMN COc1ccc(OC)c([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Br)cc2)c1 ZINC000098049889 554169827 /nfs/dbraw/zinc/16/98/27/554169827.db2.gz DZFZCMMXFVROTD-YADHBBJMSA-N 0 1 645.120 6.833 50 0 KKAAMN COc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Br)cc2)cc1Br ZINC000098049923 554170118 /nfs/dbraw/zinc/17/01/18/554170118.db2.gz GEMVVVLDOWXGAJ-NHCUHLMSSA-N 0 1 693.990 7.587 50 0 KKAAMN COc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Br)c(C)c2)cc1Br ZINC000098049925 554170142 /nfs/dbraw/zinc/17/01/42/554170142.db2.gz DKKKKDJDCWTEJC-YADHBBJMSA-N 0 1 708.017 7.895 50 0 KKAAMN COc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Br)cc2)cc1Br ZINC000098049922 554170157 /nfs/dbraw/zinc/17/01/57/554170157.db2.gz GEMVVVLDOWXGAJ-SFTDATJTSA-N 0 1 693.990 7.587 50 0 KKAAMN CCOc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Cl)cc2C)cc1 ZINC000098049973 554170794 /nfs/dbraw/zinc/17/07/94/554170794.db2.gz HKNYLBLJSGVHBS-PKTZIBPZSA-N 0 1 598.697 7.413 50 0 KKAAMN CCCCOc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000098049978 554170796 /nfs/dbraw/zinc/17/07/96/554170796.db2.gz ZFEMEZTYAWOJRD-ZEQRLZLVSA-N 0 1 657.175 7.994 50 0 KKAAMN CCOc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cc(Cl)ccc2C)cc1 ZINC000098050001 554171030 /nfs/dbraw/zinc/17/10/30/554171030.db2.gz HONHPPPCMJSAFQ-DHIUTWEWSA-N 0 1 598.697 7.413 50 0 KKAAMN CCOc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 ZINC000098050038 554171402 /nfs/dbraw/zinc/17/14/02/554171402.db2.gz XFSVCIMAPIYNOF-XZOQPEGZSA-N 0 1 598.697 7.413 50 0 KKAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2cccc(Br)c2)cc1F ZINC000098050069 554171781 /nfs/dbraw/zinc/17/17/81/554171781.db2.gz INIBCOCHRHFHTL-NHCUHLMSSA-N 0 1 617.085 7.263 50 0 KKAAMN O=C1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@@H](c2cccs2)N1c1ccc(Cl)cc1 ZINC000098050142 554172320 /nfs/dbraw/zinc/17/23/20/554172320.db2.gz AKVASPZVXGNXLB-QZTJIDSGSA-N 0 1 546.646 6.768 50 0 KKAAMN O=C1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@H](c2cccs2)N1c1cc(Cl)cc(Cl)c1 ZINC000098050159 554172590 /nfs/dbraw/zinc/17/25/90/554172590.db2.gz KLZQBVRCDCZZRA-ROUUACIJSA-N 0 1 581.091 7.421 50 0 KKAAMN COc1ccc(C(=O)N(CCN2CCCCC2)Cc2csc(COc3ccccc3C(C)C)n2)cc1 ZINC000036116611 554181940 /nfs/dbraw/zinc/18/19/40/554181940.db2.gz LCEOYFFMZHNCCW-UHFFFAOYSA-N 0 1 507.700 5.982 50 0 KKAAMN O=C(c1cccs1)N(CCN1CCCCC1)Cc1csc(COc2cc(Cl)ccc2Cl)n1 ZINC000036124410 554196614 /nfs/dbraw/zinc/19/66/14/554196614.db2.gz ZSYHBADEMATWJI-UHFFFAOYSA-N 0 1 510.512 6.219 50 0 KKAAMN CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(CN[C@@H]3c4ccccc4C(=O)N3C[C@@H]3CCCO3)CCC[C@]21C ZINC000036157517 554198759 /nfs/dbraw/zinc/19/87/59/554198759.db2.gz AFNBJAYDGOHJLH-PUBSWHNPSA-N 0 1 500.727 6.744 50 0 KKAAMN CCCN(Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1cc(OC)cc(OC)c1 ZINC000036167642 554200075 /nfs/dbraw/zinc/20/00/75/554200075.db2.gz OVAGYCCPIBGTDU-UHFFFAOYSA-N 0 1 507.577 6.271 50 0 KKAAMN Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CN(C[C@@H](O)COc1ccccc1C)CC1CC1 ZINC000036304911 554214803 /nfs/dbraw/zinc/21/48/03/554214803.db2.gz FLDVMXRNQGQICX-MUUNZHRXSA-N 0 1 511.666 6.242 50 0 KKAAMN CCCCOC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000036313979 554219372 /nfs/dbraw/zinc/21/93/72/554219372.db2.gz AYIYLRIOAIWQDC-RSXGOPAZSA-N 0 1 511.638 5.177 50 0 KKAAMN O=C(CN1CCC(Cc2ccccc2)CC1)N1N=C(c2ccccc2Cl)C[C@H]1c1ccc(Cl)cc1 ZINC000036341096 554220511 /nfs/dbraw/zinc/22/05/11/554220511.db2.gz ZVBQTKIZPAROQD-NDEPHWFRSA-N 0 1 506.477 6.626 50 0 KKAAMN COc1ccc(C2=NN(C(=O)CN3CCC(Cc4ccccc4)CC3)[C@H](c3ccc(C)cc3)C2)cc1OC ZINC000036343473 554221841 /nfs/dbraw/zinc/22/18/41/554221841.db2.gz LOFWGFDCUDCCPC-LJAQVGFWSA-N 0 1 511.666 5.645 50 0 KKAAMN COc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CCC(Cc3ccccc3)CC2)c(OC)c1 ZINC000036343458 554222015 /nfs/dbraw/zinc/22/20/15/554222015.db2.gz IZSWXFRHOKIQKS-WJOKGBTCSA-N 0 1 525.693 5.953 50 0 KKAAMN COc1ccccc1C1=NN(C(=O)CN2CCC(Cc3ccccc3)CC2)[C@@H](c2ccccc2Cl)C1 ZINC000036343938 554222296 /nfs/dbraw/zinc/22/22/96/554222296.db2.gz AUCYSILZISDWEZ-MUUNZHRXSA-N 0 1 502.058 5.981 50 0 KKAAMN COc1ccc([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)CN2CCC(Cc3ccccc3)CC2)c(OC)c1 ZINC000036344469 554223078 /nfs/dbraw/zinc/22/30/78/554223078.db2.gz ZAOKQPIOESCFGY-WJOKGBTCSA-N 0 1 525.693 5.953 50 0 KKAAMN COc1ccc([C@H]2CC(c3ccccc3OC)=NN2C(=O)CN2CCC(Cc3ccccc3)CC2)c(OC)c1 ZINC000036344485 554223427 /nfs/dbraw/zinc/22/34/27/554223427.db2.gz NMLIVVFSGBPTLA-GDLZYMKVSA-N 0 1 527.665 5.345 50 0 KKAAMN Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1CN(C[C@H](O)COCc1ccccc1)CC1CC1 ZINC000036345939 554223648 /nfs/dbraw/zinc/22/36/48/554223648.db2.gz UWYYHCRJUNLKNW-LJAQVGFWSA-N 0 1 511.666 6.071 50 0 KKAAMN COc1ccc(C2=NN(C(=O)CN3CCC(Cc4ccccc4)CC3)[C@@H](c3ccc(C)cc3C)C2)c(OC)c1 ZINC000036345794 554223732 /nfs/dbraw/zinc/22/37/32/554223732.db2.gz IXKKBHVDOVLRCT-WJOKGBTCSA-N 0 1 525.693 5.953 50 0 KKAAMN Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000038146204 554269591 /nfs/dbraw/zinc/26/95/91/554269591.db2.gz ABZPZZXSHCGVQI-RDGATRHJSA-N 0 1 529.584 5.263 50 0 KKAAMN C[C@@H]1CCCCN1CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000038150039 554271223 /nfs/dbraw/zinc/27/12/23/554271223.db2.gz DAHYKHKOXKQRNL-XQUOZVEWSA-N 0 1 536.097 5.271 50 0 KKAAMN O=[P@@](/C=C(/Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000050860845 554327857 /nfs/dbraw/zinc/32/78/57/554327857.db2.gz IOUXNGJFGCNIAJ-BJSLBONGSA-N 0 1 530.395 9.395 50 0 KKAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)COc2ccc(Cl)cc2C)c1 ZINC000057222993 554353028 /nfs/dbraw/zinc/35/30/28/554353028.db2.gz UOZNGUTXLRMLPJ-UHFFFAOYSA-N 0 1 522.045 5.165 50 0 KKAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccccc2Br)c1 ZINC000057222910 554353082 /nfs/dbraw/zinc/35/30/82/554353082.db2.gz MGQRHYZPAINSQS-UHFFFAOYSA-N 0 1 522.443 5.200 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C)cc3)C2)[C@@H]1c1cccc(Br)c1 ZINC000100425388 554386329 /nfs/dbraw/zinc/38/63/29/554386329.db2.gz QRIRZBZTWVIZLL-BNHRFMORSA-N 0 1 557.532 8.888 50 0 KKAAMN O=C(c1ccc(Cl)c(Cl)c1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000100425523 554386623 /nfs/dbraw/zinc/38/66/23/554386623.db2.gz MYBHOLYAHAUXMQ-SONOPUAISA-N 0 1 563.868 9.104 50 0 KKAAMN COc1ccc([C@@H]2C3=C(C[C@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000100425471 554386638 /nfs/dbraw/zinc/38/66/38/554386638.db2.gz QVQULIOXIUHIFF-GHRAFVERSA-N 0 1 603.933 9.519 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000100425636 554387015 /nfs/dbraw/zinc/38/70/15/554387015.db2.gz MNOOUPONVNFTJJ-GJBXTBEHSA-N 0 1 524.661 7.834 50 0 KKAAMN O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc(F)cc1)N(C(=S)Nc1ccccc1)c1ccccc1N2 ZINC000100425764 554387084 /nfs/dbraw/zinc/38/70/84/554387084.db2.gz XQMUTDGWPPUJTN-GTYOFVGBSA-N 0 1 519.645 8.246 50 0 KKAAMN COc1cc([C@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(C)=O)cc(OC)c1OC ZINC000100425899 554387285 /nfs/dbraw/zinc/38/72/85/554387285.db2.gz JCJVTMQOEIDULR-DFXYEROKSA-N 0 1 512.606 6.591 50 0 KKAAMN COc1cc([C@@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(C)=O)cc(OC)c1OC ZINC000100425907 554387330 /nfs/dbraw/zinc/38/73/30/554387330.db2.gz JCJVTMQOEIDULR-IIMAJNMQSA-N 0 1 512.606 6.591 50 0 KKAAMN COc1ccc([C@H]2C3=C(C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1OC ZINC000100426139 554387630 /nfs/dbraw/zinc/38/76/30/554387630.db2.gz OILGGTNPLKLYOC-IANOAQMISA-N 0 1 550.699 7.961 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000100426098 554387710 /nfs/dbraw/zinc/38/77/10/554387710.db2.gz AXKGIDZVRLDJOP-SXZDHJFLSA-N 0 1 580.769 9.132 50 0 KKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000100426327 554388122 /nfs/dbraw/zinc/38/81/22/554388122.db2.gz SVVZZINLRKRJMW-ACSYHNTCSA-N 0 1 520.551 7.674 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000100426437 554388350 /nfs/dbraw/zinc/38/83/50/554388350.db2.gz FEAVEDJQLGUJBU-NMRUTFGKSA-N 0 1 614.739 7.860 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000100426497 554388384 /nfs/dbraw/zinc/38/83/84/554388384.db2.gz ZWHCYGGACPIZJJ-WYOOIXGGSA-N 0 1 559.106 8.488 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccc(Cl)c1 ZINC000100426807 554389043 /nfs/dbraw/zinc/38/90/43/554389043.db2.gz HCWJSYWRRKJOIO-WKRVVKTRSA-N 0 1 533.499 9.124 50 0 KKAAMN COc1cccc([C@@H]2C3=C(C[C@@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000100426921 554389063 /nfs/dbraw/zinc/38/90/63/554389063.db2.gz CHKZUCRISBPPNW-XFSFLGPDSA-N 0 1 602.493 9.397 50 0 KKAAMN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccc(Cl)c1 ZINC000100426823 554389074 /nfs/dbraw/zinc/38/90/74/554389074.db2.gz YXEHXJJMVLUTAM-GTYOFVGBSA-N 0 1 539.462 8.857 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccc(Cl)c1 ZINC000100426811 554389087 /nfs/dbraw/zinc/38/90/87/554389087.db2.gz HCWJSYWRRKJOIO-JPZYQRIQSA-N 0 1 533.499 9.124 50 0 KKAAMN O=C(N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccc(Cl)c1)C(F)(F)F ZINC000100426840 554389228 /nfs/dbraw/zinc/38/92/28/554389228.db2.gz HOSLRBUSDSJILQ-SSOJOUAXSA-N 0 1 531.361 8.106 50 0 KKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000100429453 554390468 /nfs/dbraw/zinc/39/04/68/554390468.db2.gz OOKQQDOLWWXRRO-JCOAXYOVSA-N 0 1 512.606 6.673 50 0 KKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@@H]3c2ccc(Cl)cc2)cc1OC ZINC000100429544 554390538 /nfs/dbraw/zinc/39/05/38/554390538.db2.gz JORIRDZWVGTURA-AFJIDDCJSA-N 0 1 502.998 6.927 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000100429461 554390577 /nfs/dbraw/zinc/39/05/77/554390577.db2.gz DUJRNMOANRJRBT-ZWVRTZEQSA-N 0 1 554.687 7.843 50 0 KKAAMN CCOC(=O)c1sc(NC(=O)CSc2nc(-c3cc(OC)cc(OC)c3)n[nH]2)c(C(=O)Nc2ccccc2)c1C ZINC000059620885 554414510 /nfs/dbraw/zinc/41/45/10/554414510.db2.gz DKQVHWJDILIQGH-UHFFFAOYSA-N 0 1 581.676 5.019 50 0 KKAAMN O=C1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@@H](c2ccc3c(c2)OCO3)N1c1ccc(F)cc1 ZINC000100578075 554423938 /nfs/dbraw/zinc/42/39/38/554423938.db2.gz UQJYLGURFYXEEQ-RTWAWAEBSA-N 0 1 568.171 5.921 50 0 KKAAMN CCOc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000100578009 554424012 /nfs/dbraw/zinc/42/40/12/554424012.db2.gz RPWRFHRDEGIJQZ-GOTSBHOMSA-N 0 1 594.234 6.180 50 0 KKAAMN O=C1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@@H](c2ccc3c(c2)OCO3)N1c1ccc(F)cc1 ZINC000100578083 554424132 /nfs/dbraw/zinc/42/41/32/554424132.db2.gz UQJYLGURFYXEEQ-NHCUHLMSSA-N 0 1 568.171 5.921 50 0 KKAAMN O=C1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@@H](c2cccc(F)c2)N1c1ccc(Cl)c(Cl)c1 ZINC000100585885 554426419 /nfs/dbraw/zinc/42/64/19/554426419.db2.gz BCNITSJOQAHEJF-UXHICEINSA-N 0 1 593.052 7.499 50 0 KKAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2cccc(F)c2)cc1F ZINC000100584665 554426479 /nfs/dbraw/zinc/42/64/79/554426479.db2.gz VVRBSCYZYZZRMH-SFTDATJTSA-N 0 1 556.179 6.640 50 0 KKAAMN CCOC(=O)c1ccc(N2C(=O)C(O)=C(S(=O)(=O)c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000064557909 554511605 /nfs/dbraw/zinc/51/16/05/554511605.db2.gz NXZDTHBOXWRPKE-XMMPIXPASA-N 0 1 505.592 5.318 50 0 KKAAMN CCOC(=O)c1ccc(N2C(=O)C(O)=C(S(=O)(=O)c3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000064557910 554511800 /nfs/dbraw/zinc/51/18/00/554511800.db2.gz NXZDTHBOXWRPKE-DEOSSOPVSA-N 0 1 505.592 5.318 50 0 KKAAMN CN1CC2=C(N=C3SC=C(c4ccc(F)cc4)N3[C@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 ZINC000100954091 554538419 /nfs/dbraw/zinc/53/84/19/554538419.db2.gz UIPGYHGLNQKDCY-BSKIJULFSA-N 0 1 534.487 7.874 50 0 KKAAMN O=C(c1cccs1)[C@@H]1C(=C(O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000101064347 554571159 /nfs/dbraw/zinc/57/11/59/554571159.db2.gz OUGHCFNSUKARNM-OVDFTCDZSA-N 0 1 581.491 6.367 50 0 KKAAMN O=C(c1cccs1)[C@@H]1C(=C(O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000101064349 554571199 /nfs/dbraw/zinc/57/11/99/554571199.db2.gz OUGHCFNSUKARNM-MFUXGYHDSA-N 0 1 581.491 6.367 50 0 KKAAMN CC(C)(C)C(=O)[C@@H]1[C@H](C(=O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000101064380 554571501 /nfs/dbraw/zinc/57/15/01/554571501.db2.gz CHJHJUPTLFDOAO-ZGQJUUMOSA-N 0 1 555.472 6.038 50 0 KKAAMN Cc1ccc2c(c1C)NC(=O)[C@@]21N2CCC[C@@H]2[C@@H](C(=O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000101064460 554571700 /nfs/dbraw/zinc/57/17/00/554571700.db2.gz DSFLXWSYLKLABO-SMVSGJMUSA-N 0 1 556.460 5.081 50 0 KKAAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)c3ccccc3)[C@@H]2c2ccc(Br)cc2)C1 ZINC000101071523 554575680 /nfs/dbraw/zinc/57/56/80/554575680.db2.gz IDXNVSGKQHPJMU-AREMUKBSSA-N 0 1 501.424 7.555 50 0 KKAAMN COc1cc([C@H]2C3=C(C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc(OC)c1OC ZINC000101100343 554587147 /nfs/dbraw/zinc/58/71/47/554587147.db2.gz XPRHXNVPPJJLAT-MJVKXCJRSA-N 0 1 616.758 8.874 50 0 KKAAMN COc1cc([C@@H]2C3=C(C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(C)=O)cc(OC)c1OC ZINC000101100452 554587378 /nfs/dbraw/zinc/58/73/78/554587378.db2.gz VHMNAMFQQZFDIU-APYJYERMSA-N 0 1 554.687 7.580 50 0 KKAAMN CCOc1cc([C@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1 ZINC000101100378 554587493 /nfs/dbraw/zinc/58/74/93/554587493.db2.gz QRJBMNROSUAROU-AYAMJOBCSA-N 0 1 623.149 8.896 50 0 KKAAMN COc1cc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc(OC)c1OC ZINC000101101270 554588187 /nfs/dbraw/zinc/58/81/87/554588187.db2.gz SCHXHXIXYSVFRI-JRPXNJEYSA-N 0 1 524.617 6.673 50 0 KKAAMN COc1cc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc(OC)c1OC ZINC000101101268 554588237 /nfs/dbraw/zinc/58/82/37/554588237.db2.gz SCHXHXIXYSVFRI-URAOTHONSA-N 0 1 524.617 6.673 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1OC ZINC000101135323 554651117 /nfs/dbraw/zinc/65/11/17/554651117.db2.gz JMXJJWRHEJZENI-CYXNTTPDSA-N 0 1 506.986 5.579 50 0 KKAAMN CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(=C(O)c1ccncc1)[C@]21C(=O)Nc2ccccc21 ZINC000101151015 554657249 /nfs/dbraw/zinc/65/72/49/554657249.db2.gz MTZZNIYUKBMWAH-UUQNIDNHSA-N 0 1 511.581 5.328 50 0 KKAAMN Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccc(F)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000101153438 554658042 /nfs/dbraw/zinc/65/80/42/554658042.db2.gz IWQBRLNZKHRRCA-WFPUBZAHSA-N 0 1 528.583 5.990 50 0 KKAAMN O=C(c1cccs1)[C@@H]1C(=C(O)c2ccc3c(c2)OCO3)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000101177117 554665022 /nfs/dbraw/zinc/66/50/22/554665022.db2.gz FIJBDJDXNHOIDY-QODLHPCFSA-N 0 1 546.604 5.333 50 0 KKAAMN COc1ccc(Br)cc1[C@@H]1c2c(O)n(-c3ccc(Cl)cc3)c(O)c2ON1c1ccccc1 ZINC000101178404 554665578 /nfs/dbraw/zinc/66/55/78/554665578.db2.gz OATLEPQUFIVYPC-VSKRKVRLSA-N 0 1 513.775 5.162 50 0 KKAAMN CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000101189402 554670234 /nfs/dbraw/zinc/67/02/34/554670234.db2.gz KWKZEBNITZMECM-OLUZHXLYSA-N 0 1 534.612 6.024 50 0 KKAAMN COc1ccccc1Nc1c2cc(NC(=O)Cn3nc(C(F)(F)F)cc3C)ccc2nc2c1CCCC2 ZINC000101193443 554671396 /nfs/dbraw/zinc/67/13/96/554671396.db2.gz GZQAIEIMLLBUDT-UHFFFAOYSA-N 0 1 509.532 6.028 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2C(=C(O)c3cccnc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000101193820 554671470 /nfs/dbraw/zinc/67/14/70/554671470.db2.gz MPYXLRDDQSGUAQ-ZXFZPVEDSA-N 0 1 539.635 5.945 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000101196123 554672308 /nfs/dbraw/zinc/67/23/08/554672308.db2.gz CSFVDXPSRXRALB-JVPIYLDOSA-N 0 1 541.047 5.937 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(C(=O)c3ccco3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)c1 ZINC000101209341 554678258 /nfs/dbraw/zinc/67/82/58/554678258.db2.gz SGSXNADEYJDAMK-UUQNIDNHSA-N 0 1 530.580 5.534 50 0 KKAAMN COc1ccc(Br)cc1[C@@H]1c2c(O)n(-c3cccc(Cl)c3)c(O)c2ON1c1ccccc1 ZINC000101209417 554678282 /nfs/dbraw/zinc/67/82/82/554678282.db2.gz WYUHGIYAMHANNI-VSKRKVRLSA-N 0 1 513.775 5.162 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2C(=C(O)c3ccncc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000101209519 554678293 /nfs/dbraw/zinc/67/82/93/554678293.db2.gz HYGHLBUQCYKRDY-ZXFZPVEDSA-N 0 1 539.635 5.945 50 0 KKAAMN Cc1ccc(C(O)=C2[C@@H](C(=O)c3cccs3)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000101210935 554679556 /nfs/dbraw/zinc/67/95/56/554679556.db2.gz GXTWKOGLUZIUQJ-WFPUBZAHSA-N 0 1 544.676 6.611 50 0 KKAAMN CC(=O)[C@@H]1[C@@H](C(=O)c2ccc(CC(C)C)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000101211505 554679591 /nfs/dbraw/zinc/67/95/91/554679591.db2.gz PMAFBANPUHTOCE-SVYISMGTSA-N 0 1 525.048 6.101 50 0 KKAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4C)c(O)c3ON2c2ccccc2)cc1Br ZINC000101234536 554690032 /nfs/dbraw/zinc/69/00/32/554690032.db2.gz VOGICXLSCLNYCX-VXNXHJTFSA-N 0 1 507.384 5.126 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000101254820 554695545 /nfs/dbraw/zinc/69/55/45/554695545.db2.gz WRWGMUDWADOOMG-JGCGQSQUSA-N 0 1 629.827 5.023 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000101254827 554695593 /nfs/dbraw/zinc/69/55/93/554695593.db2.gz XQKFTIUPMXIKGB-WJOKGBTCSA-N 0 1 634.246 5.668 50 0 KKAAMN O=C(C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1CCCN1CCN(Cc2ccccc2)CC1)Nc1ccc(Cl)cc1 ZINC000101254877 554695799 /nfs/dbraw/zinc/69/57/99/554695799.db2.gz YGRXXCIXRXTHJM-NDEPHWFRSA-N 0 1 610.611 5.532 50 0 KKAAMN Cc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCCN3CCN(Cc4ccccc4)CC3)C2=S)cc1 ZINC000101254857 554695873 /nfs/dbraw/zinc/69/58/73/554695873.db2.gz YXGIZWNUKSPTMN-LJAQVGFWSA-N 0 1 590.193 5.187 50 0 KKAAMN O=C(C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1CCCN1CCN(Cc2ccccc2)CC1)Nc1ccc(F)cc1 ZINC000101255159 554696445 /nfs/dbraw/zinc/69/64/45/554696445.db2.gz SZYWYLIXTSSIGU-NDEPHWFRSA-N 0 1 594.156 5.018 50 0 KKAAMN O=C(c1ccco1)[C@H]1[C@@H](C(=O)c2cccs2)N2c3ccc(Cl)cc3C=C[C@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000101341959 554735870 /nfs/dbraw/zinc/73/58/70/554735870.db2.gz QOVJHQZGOYEURW-APSVEGKFSA-N 0 1 527.001 5.851 50 0 KKAAMN O=C(c1ccco1)C1[C@@H](C(=O)c2cccs2)N2c3ccc(Cl)cc3C=C[C@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000101341959 554735872 /nfs/dbraw/zinc/73/58/72/554735872.db2.gz QOVJHQZGOYEURW-APSVEGKFSA-N 0 1 527.001 5.851 50 0 KKAAMN CCCC1=Nc2cc(C(=O)NCCCN3CCN(c4cc(Cl)ccc4C)CC3)ccc2Sc2ccccc21 ZINC000101371062 554744372 /nfs/dbraw/zinc/74/43/72/554744372.db2.gz FYAXMFVIQAXVGF-UHFFFAOYSA-N 0 1 547.168 6.976 50 0 KKAAMN COc1ccc(-c2[nH]c(-c3ccc(OC)c(OC)c3)nc2SCC(=O)Nc2ccc(OC)c(OC)c2)cc1 ZINC000101384370 554748956 /nfs/dbraw/zinc/74/89/56/554748956.db2.gz FUOMIZRDQHJIBH-UHFFFAOYSA-N 0 1 535.622 5.518 50 0 KKAAMN COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4cccs4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000101395018 554757331 /nfs/dbraw/zinc/75/73/31/554757331.db2.gz DIXWPRQJTABBLB-DJUQAAIZSA-N 0 1 534.637 7.399 50 0 KKAAMN COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000101407418 554762206 /nfs/dbraw/zinc/76/22/06/554762206.db2.gz UVVAGJGFCILLGD-KPURRNSFSA-N 0 1 510.565 6.572 50 0 KKAAMN COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000101407425 554762242 /nfs/dbraw/zinc/76/22/42/554762242.db2.gz UVVAGJGFCILLGD-ZTOMLWHTSA-N 0 1 510.565 6.572 50 0 KKAAMN COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000101407420 554762267 /nfs/dbraw/zinc/76/22/67/554762267.db2.gz UVVAGJGFCILLGD-MNNSJKJDSA-N 0 1 510.565 6.572 50 0 KKAAMN CCOc1cc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000101412293 554764181 /nfs/dbraw/zinc/76/41/81/554764181.db2.gz ZNQJKMLYAZTMHE-AIJWEMPKSA-N 0 1 621.177 9.524 50 0 KKAAMN COc1ccc([C@H]2C3=C(C[C@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(C)=O)cc1OC ZINC000101412935 554764193 /nfs/dbraw/zinc/76/41/93/554764193.db2.gz GWTOPOPYAGBSSZ-UDNBHOFDSA-N 0 1 524.661 7.571 50 0 KKAAMN Cc1nn(-c2ccccc2)c2nc(C)c(CCC(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)c(C)c12 ZINC000101419058 554766734 /nfs/dbraw/zinc/76/67/34/554766734.db2.gz GRCFWTKEEKMNKW-UHFFFAOYSA-N 0 1 545.131 5.260 50 0 KKAAMN COc1cccc([C@H]2C3=C(C[C@@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)c1 ZINC000101428816 554769350 /nfs/dbraw/zinc/76/93/50/554769350.db2.gz LOLNEGXUCXBLAN-QNLPTKCRSA-N 0 1 535.043 8.213 50 0 KKAAMN COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccc(OC)c(OC)c4)CC3=O)Nc3ccccc3N2C(C)=O)cc1 ZINC000101443279 554773551 /nfs/dbraw/zinc/77/35/51/554773551.db2.gz OSZYHWAHVAQBIZ-SMSORMJASA-N 0 1 526.589 6.060 50 0 KKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CC(C)C)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101448104 554774851 /nfs/dbraw/zinc/77/48/51/554774851.db2.gz UFSAXVLOZVOILQ-NBLPZQPVSA-N 0 1 570.686 7.317 50 0 KKAAMN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@H]3c2cccc(F)c2)cc1 ZINC000101449873 554775158 /nfs/dbraw/zinc/77/51/58/554775158.db2.gz DDHLRMZGZISLRC-UKJJDJLKSA-N 0 1 502.589 7.998 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc(C(=O)OC)cc1 ZINC000101486605 554785273 /nfs/dbraw/zinc/78/52/73/554785273.db2.gz SMWWACBBGOWMGH-YKGWIAGDSA-N 0 1 512.606 7.197 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000101500323 554787952 /nfs/dbraw/zinc/78/79/52/554787952.db2.gz RZVBAHBMPSPHAB-PKHCJMHPSA-N 0 1 544.648 7.436 50 0 KKAAMN COc1ccccc1N1CCN(CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)CC1 ZINC000101618201 554806666 /nfs/dbraw/zinc/80/66/66/554806666.db2.gz PKYUEYFDSJUJFQ-IHLOFXLRSA-N 0 1 560.764 5.022 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000101669651 554823025 /nfs/dbraw/zinc/82/30/25/554823025.db2.gz SHTPDBKUWALGMG-VJGNERBWSA-N 0 1 565.464 6.078 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000101672487 554826131 /nfs/dbraw/zinc/82/61/31/554826131.db2.gz HXMUMYVNZGBUIT-NHKHRBQYSA-N 0 1 585.454 6.088 50 0 KKAAMN CCCCCc1ccc(C(O)=C2[C@@H](C(=O)c3ccc(OC)cc3)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000101674206 554827767 /nfs/dbraw/zinc/82/77/67/554827767.db2.gz DVJRTYAMBKNLET-SMTMOVGSSA-N 0 1 610.754 7.674 50 0 KKAAMN CCCC[N@H+](CCCNC(=O)c1ccc(N2CCCCC2)c([N-]S(=O)(=O)c2ccc(C)cc2)c1)Cc1ccccc1 ZINC000101689355 554830402 /nfs/dbraw/zinc/83/04/02/554830402.db2.gz DCYNDXMKEYQWCS-UHFFFAOYSA-N 0 1 576.807 6.208 50 0 KKAAMN CCCC[N@@H+](CCCNC(=O)c1ccc(N2CCCCC2)c([N-]S(=O)(=O)c2ccc(C)cc2)c1)Cc1ccccc1 ZINC000101689355 554830404 /nfs/dbraw/zinc/83/04/04/554830404.db2.gz DCYNDXMKEYQWCS-UHFFFAOYSA-N 0 1 576.807 6.208 50 0 KKAAMN O=C(NCCCN1CCN(c2ccccc2)CC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000101979722 554863699 /nfs/dbraw/zinc/86/36/99/554863699.db2.gz DMQULUAMPQQQQA-LOYHVIPDSA-N 0 1 542.749 5.300 50 0 KKAAMN c1csc(-c2nc(-c3ccccc3)c(-c3ccc(Oc4ccc(-c5[nH]c(-c6cccs6)nc5-c5ccccc5)cc4)cc3)[nH]2)c1 ZINC000102038437 554869096 /nfs/dbraw/zinc/86/90/96/554869096.db2.gz SKNNNXIZGQUAAC-UHFFFAOYSA-N 0 1 618.787 11.050 50 0 KKAAMN c1csc(-c2nc(-c3ccc(Oc4ccc(-c5[nH]c(-c6cccs6)nc5-c5ccccc5)cc4)cc3)c(-c3ccccc3)[nH]2)c1 ZINC000102038437 554869099 /nfs/dbraw/zinc/86/90/99/554869099.db2.gz SKNNNXIZGQUAAC-UHFFFAOYSA-N 0 1 618.787 11.050 50 0 KKAAMN COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000102096593 554879375 /nfs/dbraw/zinc/87/93/75/554879375.db2.gz QKFQMXPGKSLVAP-QHCPKHFHSA-N 0 1 546.476 6.478 50 0 KKAAMN CC(C)(C)c1ccc(/C=C/C(=O)NCCC[NH+]2CCN(CCCNC(=O)/C=C\c3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000102190767 554894081 /nfs/dbraw/zinc/89/40/81/554894081.db2.gz JIHQDDPOJWHYJV-LRVMPXQBSA-N 0 1 572.838 5.638 50 0 KKAAMN O[C@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000102231255 554900173 /nfs/dbraw/zinc/90/01/73/554900173.db2.gz HOJOIDZRPNIDCC-HKBQPEDESA-N 0 1 561.553 6.868 50 0 KKAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1cccc(Cl)c1C)C(c1ccc(Br)cc1)=N2 ZINC000102244043 554903255 /nfs/dbraw/zinc/90/32/55/554903255.db2.gz ZVSHTVFEPHOSKK-UHFFFAOYSA-N 0 1 533.923 5.796 50 0 KKAAMN COc1ccc(C[C@@H](C)N2CCN(c3cccc4c3C(=O)N(Cc3ccc(C(F)(F)F)cc3)C4=O)CC2)cc1OC ZINC000102339956 554913146 /nfs/dbraw/zinc/91/31/46/554913146.db2.gz DVSDHOLUBSYKLH-HXUWFJFHSA-N 0 1 567.608 5.272 50 0 KKAAMN CCOC(=O)N1CCC(N2CCOc3c(cc(-c4ncc(C(F)(F)F)cc4Cl)cc3OC[C@@H]3CCCO3)C2)CC1 ZINC000102399567 554919434 /nfs/dbraw/zinc/91/94/34/554919434.db2.gz HAJNTHXQEZFDJV-QFIPXVFZSA-N 0 1 584.035 5.794 50 0 KKAAMN O=C(Nc1ccc(Cl)cc1)[C@H]1C(=C(O)c2ccc(Cl)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000102439136 554928906 /nfs/dbraw/zinc/92/89/06/554928906.db2.gz PXAJLINWNJTMMK-UHLQNUQBSA-N 0 1 580.471 6.605 50 0 KKAAMN O=C(Nc1ccc(Cl)cc1)[C@H]1C(=C(O)c2ccc(Cl)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000102439140 554928958 /nfs/dbraw/zinc/92/89/58/554928958.db2.gz PXAJLINWNJTMMK-VGBJTSDXSA-N 0 1 580.471 6.605 50 0 KKAAMN O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H](C(=O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000102443937 554930269 /nfs/dbraw/zinc/93/02/69/554930269.db2.gz HBDFOCFVBQODHH-GQPDOWDHSA-N 0 1 546.026 5.952 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccc(C)cc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102559570 554967132 /nfs/dbraw/zinc/96/71/32/554967132.db2.gz XLSAZBIXAVSVIE-JVNOLKNPSA-N 0 1 587.119 7.457 50 0 KKAAMN O=C(c1ccccc1F)[C@@H]1C(=C(O)c2ccc3c(c2)OCO3)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000102562923 554968804 /nfs/dbraw/zinc/96/88/04/554968804.db2.gz QLGRIRDUKWOJIW-CTMYTVLESA-N 0 1 558.565 5.411 50 0 KKAAMN O=C(CSc1ncc(S(=O)(=O)c2cccc(C(F)(F)F)c2)c(=O)[nH]1)Nc1ccc(Oc2ccccc2)cc1 ZINC000102606124 554978811 /nfs/dbraw/zinc/97/88/11/554978811.db2.gz ATCSBKBTRYTADZ-UHFFFAOYSA-N 0 1 561.563 5.145 50 0 KKAAMN Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)[nH]c2=O)cc1Cl ZINC000102606289 554979298 /nfs/dbraw/zinc/97/92/98/554979298.db2.gz SOJJAZLHYGLKQL-UHFFFAOYSA-N 0 1 542.038 5.088 50 0 KKAAMN CCCCOc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2NC(=O)N=C(C)C2C(=O)OCc2ccccc2)c(C)c1 ZINC000102621025 554986888 /nfs/dbraw/zinc/98/68/88/554986888.db2.gz SXSDPCVOIIGKOM-HKBQPEDESA-N 0 1 550.659 6.398 50 0 KKAAMN COc1ccc(/C=C2\CN(C)CC3=C2N=C2SC=C(c4ccc(Br)cc4)N2[C@@H]3c2ccc(OC)cc2)cc1 ZINC000102629353 554988994 /nfs/dbraw/zinc/98/89/94/554988994.db2.gz XCPRQOIAEBAVPK-AYHHAJBCSA-N 0 1 586.555 7.208 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@H]1c1ccc(Cl)cc1Cl ZINC000102645298 554991981 /nfs/dbraw/zinc/99/19/81/554991981.db2.gz WUKKQTATEQNZNF-OHWKKVTOSA-N 0 1 589.607 10.421 50 0 KKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N(C(=O)C(F)(F)F)[C@H]3c2cccs2)cc1 ZINC000102646025 554992187 /nfs/dbraw/zinc/99/21/87/554992187.db2.gz RSRBSWYINYTNAS-NSYGIPOTSA-N 0 1 512.553 7.178 50 0 KKAAMN COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4ccc(F)cc4)C3)[C@@H]2c2cccs2)cc(OC)c1OC ZINC000102649698 554995059 /nfs/dbraw/zinc/99/50/59/554995059.db2.gz QRGILHPFCPBJSS-GEFUHLBYSA-N 0 1 584.669 7.777 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1O[C@H](C)CC ZINC000102661334 555000593 /nfs/dbraw/zinc/00/05/93/555000593.db2.gz DHJWEZGWCLEEJH-IOFJJOJFSA-N 0 1 596.768 9.012 50 0 biogenic KKAAMN COc1ccc([C@@H]2N(c3ccccc3)O[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@]32c2ccccc2)cc1 ZINC000102702754 555013381 /nfs/dbraw/zinc/01/33/81/555013381.db2.gz FNZXIFBKXLEKKS-VWYPKUQYSA-N 0 1 510.977 5.722 50 0 KKAAMN COc1ccc([C@@H]2N(c3ccccc3)OC3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@]32c2ccccc2)cc1 ZINC000102702754 555013383 /nfs/dbraw/zinc/01/33/83/555013383.db2.gz FNZXIFBKXLEKKS-VWYPKUQYSA-N 0 1 510.977 5.722 50 0 KKAAMN O=C(COc1ccc(-c2ccsc2)cc1CN1CCN(c2ccccc2)CC1)NC[C@H]1COc2ccccc2O1 ZINC000102707534 555015628 /nfs/dbraw/zinc/01/56/28/555015628.db2.gz YNHHGSQNLDFJPP-NDEPHWFRSA-N 0 1 555.700 5.072 50 0 KKAAMN Cc1c(Cl)cccc1-n1c(O)c2c(c1O)[C@@H](c1cc3ccccc3nc1Cl)N(c1ccccc1)O2 ZINC000102727320 555022326 /nfs/dbraw/zinc/02/23/26/555022326.db2.gz XECHRCZXJANQFM-WXFUMESZSA-N 0 1 504.373 5.901 50 0 KKAAMN CCCOc1ccc(-n2c(O)c3c(c2O)[C@H](c2cc4ccccc4nc2Cl)N(c2ccccc2)O3)cc1 ZINC000102732518 555024079 /nfs/dbraw/zinc/02/40/79/555024079.db2.gz HZSICYNQWBCOCM-KKUQBAQOSA-N 0 1 513.981 5.728 50 0 KKAAMN O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc(CNc2[nH]c(=S)nc3ccccc32)cc1 ZINC000102741730 555030428 /nfs/dbraw/zinc/03/04/28/555030428.db2.gz WJSWBAAIZCPRDY-UHFFFAOYSA-N 0 1 547.128 5.500 50 0 KKAAMN CCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000102743335 555033820 /nfs/dbraw/zinc/03/38/20/555033820.db2.gz QUTMYCXWAXWEMC-TWJOJJKGSA-N 0 1 541.431 6.232 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000102753384 555045502 /nfs/dbraw/zinc/04/55/02/555045502.db2.gz FGOMSAZEUOUEFS-ZONZVBGPSA-N 0 1 504.558 5.454 50 0 KKAAMN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC ZINC000102768153 555055865 /nfs/dbraw/zinc/05/58/65/555055865.db2.gz PFQZZQCRQNQZAQ-MPFGFTFXSA-N 0 1 514.622 5.932 50 0 KKAAMN CCCN1CCN(C(=O)c2ccc(/C=C3/Sc4ccccc4N(Cc4cccc(Cl)c4)C3=O)cc2)CC1 ZINC000102780179 555065710 /nfs/dbraw/zinc/06/57/10/555065710.db2.gz FSNPYLBOBDFPBC-VFCFBJKWSA-N 0 1 532.109 6.188 50 0 KKAAMN COc1ccc(CCNC(=O)c2ccc(C)nc2C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1OC ZINC000102808879 555073967 /nfs/dbraw/zinc/07/39/67/555073967.db2.gz QNGYLTQRDJYVQX-UHFFFAOYSA-N 0 1 541.614 5.778 50 0 KKAAMN CCN1CCN(c2c(CN(CCCOC)C(=O)c3ccc(Cl)cc3Cl)c(C)nn2-c2ccccc2)CC1 ZINC000102832682 555079298 /nfs/dbraw/zinc/07/92/98/555079298.db2.gz UOQOHJJTQHBPKE-UHFFFAOYSA-N 0 1 544.527 5.308 50 0 KKAAMN COc1ccc(NC(=O)c2cc3cnn(C(C)C)c3nc2C)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000102853364 555086860 /nfs/dbraw/zinc/08/68/60/555086860.db2.gz IPUXLSRDKVWZDP-UHFFFAOYSA-N 0 1 548.452 5.689 50 0 KKAAMN CCN(CC)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@@H]3c2ccc(F)cc2)cc1 ZINC000102857306 555088513 /nfs/dbraw/zinc/08/85/13/555088513.db2.gz PVXJIQAFTSYTOC-JCVFDAPQSA-N 0 1 559.685 8.536 50 0 KKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cccs2)[C@H]3c2cccs2)cc1OC ZINC000102865071 555094896 /nfs/dbraw/zinc/09/48/96/555094896.db2.gz YRHPUTDOZKKAFI-XBBWARJSSA-N 0 1 542.682 7.691 50 0 KKAAMN CC(C)(C)c1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=S)Nc2ccccc2)cc1 ZINC000102868778 555098226 /nfs/dbraw/zinc/09/82/26/555098226.db2.gz USIDMJVHJIEJPA-LJAQVGFWSA-N 0 1 509.719 8.647 50 0 KKAAMN CC(C)(C)c1cc([C@H]2C3=C(C[C@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)c2cccs2)cc(C(C)(C)C)c1O ZINC000102873376 555103670 /nfs/dbraw/zinc/10/36/70/555103670.db2.gz QTMQDHPCMAQKHH-HUBRWUETSA-N 0 1 622.806 10.052 50 0 KKAAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)C(F)(F)F)[C@H]2c2ccc(OCc3ccccc3)cc2)C1 ZINC000102874267 555104306 /nfs/dbraw/zinc/10/43/06/555104306.db2.gz GRKNMMVGUCCKRP-MHZLTWQESA-N 0 1 520.551 7.620 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C2[C@H]1c1ccccc1Cl ZINC000102876426 555106336 /nfs/dbraw/zinc/10/63/36/555106336.db2.gz HHRVHDNNYJEPCB-ROTAYESASA-N 0 1 517.044 8.610 50 0 KKAAMN CCOc1cc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000102884972 555114845 /nfs/dbraw/zinc/11/48/45/555114845.db2.gz FUWAYZYFEKSGHJ-JBOQNHBVSA-N 0 1 589.475 7.022 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccc(C)cc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102890780 555126263 /nfs/dbraw/zinc/12/62/63/555126263.db2.gz PCDDREDJSVDBSH-JVNOLKNPSA-N 0 1 552.674 6.804 50 0 KKAAMN CCOc1cc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000102894553 555132634 /nfs/dbraw/zinc/13/26/34/555132634.db2.gz ULZKVTIAJPOSSB-JBOQNHBVSA-N 0 1 599.481 6.478 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102895093 555133688 /nfs/dbraw/zinc/13/36/88/555133688.db2.gz CNPGAFNPLJVXDW-IEMSDXTESA-N 0 1 575.064 6.595 50 0 KKAAMN O=C(N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(F)cc1)C(F)(F)F ZINC000102928646 555154444 /nfs/dbraw/zinc/15/44/44/555154444.db2.gz PZTJSMSQYFTQJS-GKVSMKOHSA-N 0 1 514.906 7.592 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(-c2nnc(SCc3ccc(Cl)cc3Cl)n2[C@H](C)CCCC(C)C)c1 ZINC000102931095 555158319 /nfs/dbraw/zinc/15/83/19/555158319.db2.gz DIYFNAYQMOSCOO-OAQYLSRUSA-N 0 1 633.667 8.741 50 0 KKAAMN O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1Cl ZINC000102959445 555174949 /nfs/dbraw/zinc/17/49/49/555174949.db2.gz HXIRTLAUDUXTCD-UHFFFAOYSA-N 0 1 552.018 5.554 50 0 KKAAMN C[C@@H](OC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)c(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1 ZINC000102975399 555185371 /nfs/dbraw/zinc/18/53/71/555185371.db2.gz NLGVUBWCWWRQSW-GFCCVEGCSA-N 0 1 545.803 5.771 50 0 KKAAMN CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cc(S(=O)(=O)Nc3ccc(OCC)cc3)c(Cl)cc2Cl)c1C ZINC000102975345 555185396 /nfs/dbraw/zinc/18/53/96/555185396.db2.gz GAGGZMGMBLIARA-MRXNPFEDSA-N 0 1 611.500 5.743 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000102984528 555190179 /nfs/dbraw/zinc/19/01/79/555190179.db2.gz JWFWXDJJHHLZGF-WYOOIXGGSA-N 0 1 554.687 7.843 50 0 KKAAMN COc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000102993993 555194085 /nfs/dbraw/zinc/19/40/85/555194085.db2.gz HQGKMEZEXHQAGH-UHFFFAOYSA-N 0 1 578.477 7.270 50 0 KKAAMN COc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 ZINC000102994311 555194534 /nfs/dbraw/zinc/19/45/34/555194534.db2.gz WKDUXDFCCORNIC-UHFFFAOYSA-N 0 1 530.227 5.818 50 0 KKAAMN O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000102998785 555198071 /nfs/dbraw/zinc/19/80/71/555198071.db2.gz GOSPGCGKEQPLHJ-UHFFFAOYSA-N 0 1 588.922 5.484 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1N1CCCCC1 ZINC000103012094 555207053 /nfs/dbraw/zinc/20/70/53/555207053.db2.gz RSPJXFFHKKQIDS-UHFFFAOYSA-N 0 1 534.465 6.045 50 0 KKAAMN CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(C(C)C)CC1)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000103024408 555214823 /nfs/dbraw/zinc/21/48/23/555214823.db2.gz SSTHNIBFCWPQMB-UHFFFAOYSA-N 0 1 560.545 6.463 50 0 KKAAMN Cc1nn(-c2cccc(F)c2)c(N2CCN(C(C)C)CC2)c1CN(C(=O)c1ccc(C(F)(F)F)cc1)C(C)C ZINC000103025345 555215480 /nfs/dbraw/zinc/21/54/80/555215480.db2.gz QWYLFXQOTBUBNI-UHFFFAOYSA-N 0 1 545.625 5.920 50 0 KKAAMN CCc1nn(-c2ccc(F)cc2)c(N2CCN(C(C)C)CC2)c1CN(CC(C)C)C(=O)c1ccc(Cl)cc1Cl ZINC000103025208 555215512 /nfs/dbraw/zinc/21/55/12/555215512.db2.gz NITFVAQWVPGBRA-UHFFFAOYSA-N 0 1 574.572 6.709 50 0 KKAAMN CC[C@@H]1N[C@@]2(c3ccccc3N(Cc3cccc4ccccc43)C2=O)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 ZINC000103129927 555298694 /nfs/dbraw/zinc/29/86/94/555298694.db2.gz ZRZZJVAOTLZBAC-DLMLISOQSA-N 0 1 536.031 5.423 50 0 KKAAMN CCCCOc1ccc(C(=O)N(CCCOC)Cc2c(C)nn(-c3ccccc3)c2N2CCN(CC)CC2)cc1 ZINC000103133016 555302734 /nfs/dbraw/zinc/30/27/34/555302734.db2.gz OKGKGHALZSFJNE-UHFFFAOYSA-N 0 1 547.744 5.180 50 0 KKAAMN CC(C)(C)C(=O)N1CCc2ccc(OCc3ccc(C(=O)NCCN4CCCC4)o3)cc2[C@H]1c1cccc(F)c1 ZINC000103160328 555320699 /nfs/dbraw/zinc/32/06/99/555320699.db2.gz BOMNQJSOZCTGRF-GDLZYMKVSA-N 0 1 547.671 5.344 50 0 KKAAMN CCCOc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)CC)[C@H]2c1ccc(OC)cc1 ZINC000103313139 555358327 /nfs/dbraw/zinc/35/83/27/555358327.db2.gz CHHMUAGNGFKZSO-ICACTRECSA-N 0 1 510.634 7.444 50 0 KKAAMN C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000103363199 555365256 /nfs/dbraw/zinc/36/52/56/555365256.db2.gz HSCHHAAYXUKTPQ-WINIVTDRSA-N 0 1 574.644 6.008 50 0 KKAAMN CC1=NN(c2ccccc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CCN(Cc3ccccc3)C[C@H]12 ZINC000103405417 555391819 /nfs/dbraw/zinc/39/18/19/555391819.db2.gz SAVSFDPMZIGHSU-XTEPFMGCSA-N 0 1 515.455 5.105 50 0 KKAAMN O=C(c1cccs1)[C@@H]1C(=C(O)c2ccc3c(c2)OCO3)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000103537329 555436574 /nfs/dbraw/zinc/43/65/74/555436574.db2.gz FIJBDJDXNHOIDY-CKXMCULTSA-N 0 1 546.604 5.333 50 0 KKAAMN C[C@H]1CCCCN1CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O ZINC000103893521 562825061 /nfs/dbraw/zinc/82/50/61/562825061.db2.gz DAHYKHKOXKQRNL-LGIDBQEGSA-N 0 1 536.097 5.271 50 0 KKAAMN CCc1cccc2c1NC(=O)[C@@]21N2CCC[C@@H]2[C@H](C(=O)c2ccc3ccccc3c2)[C@]12c1ccccc1NC2=O ZINC000252009467 562881683 /nfs/dbraw/zinc/88/16/83/562881683.db2.gz QYQDPBFSISDNBS-RJNBBFARSA-N 0 1 527.624 5.417 50 0 KKAAMN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C[C@H](O)COCc1ccccc1 ZINC000105004234 571389094 /nfs/dbraw/zinc/38/90/94/571389094.db2.gz XTIWKHOZTQKLTP-XTEPFMGCSA-N 0 1 536.738 5.159 50 0 KKAAMN C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000105060481 571390793 /nfs/dbraw/zinc/39/07/93/571390793.db2.gz MFGSFJQYWNQDQK-XHCCPWGMSA-N 0 1 574.644 6.008 50 0 KKAAMN C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000105061433 571391014 /nfs/dbraw/zinc/39/10/14/571391014.db2.gz MUWRZPPTJKTLKH-YKGWIAGDSA-N 0 1 547.740 5.895 50 0 KKAAMN C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)Nc1cccc(Cl)c1 ZINC000105061922 571391092 /nfs/dbraw/zinc/39/10/92/571391092.db2.gz KIKISGOANDWTGW-XHCCPWGMSA-N 0 1 541.092 5.643 50 0 KKAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000105061794 571391109 /nfs/dbraw/zinc/39/11/09/571391109.db2.gz LUEMCUCYSZVCBV-ZBLYBZFDSA-N 0 1 522.114 5.421 50 0 KKAAMN COc1cccc(C(O)=C2[C@H](C(=O)c3ccc(C)cc3)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000106015352 571410278 /nfs/dbraw/zinc/41/02/78/571410278.db2.gz NHZLMWWVCOLXJE-JVNOLKNPSA-N 0 1 568.673 6.558 50 0 KKAAMN 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 571410516 /nfs/dbraw/zinc/41/05/16/571410516.db2.gz NGPGDNUELGEEOY-UNMGZEBXSA-N 0 1 550.655 5.601 50 0 KKAAMN COc1ccc(Br)cc1[C@@H]1c2c(O)n(-c3ccc(Cl)cc3)c(O)c2ON1c1ccccc1 ZINC000137490615 571450365 /nfs/dbraw/zinc/45/03/65/571450365.db2.gz OATLEPQUFIVYPC-BHDDXSALSA-N 0 1 513.775 5.162 50 0 KKAAMN Cc1[nH]c2ccccc2c1[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2ON1c1ccccc1 ZINC000137817650 571450633 /nfs/dbraw/zinc/45/06/33/571450633.db2.gz ZNEGYHPAXNBYEZ-RBZQAINGSA-N 0 1 502.368 5.290 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4cccc(OCC)c4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000137927219 571450786 /nfs/dbraw/zinc/45/07/86/571450786.db2.gz WZVOTJPLDFAAHD-ZGIBFIJWSA-N 0 1 530.621 5.714 50 0 KKAAMN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(OCC)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC ZINC000137927219 571450787 /nfs/dbraw/zinc/45/07/87/571450787.db2.gz WZVOTJPLDFAAHD-ZGIBFIJWSA-N 0 1 530.621 5.714 50 0 KKAAMN O=C(CCC(NC(=O)OCC1c2ccccc2-c2ccccc21)=C(O)n1nnc2ccccc21)NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000150339554 571457536 /nfs/dbraw/zinc/45/75/36/571457536.db2.gz ZLCVVUWNCORIMN-FAIXQHPJSA-N 0 1 711.822 7.867 50 0 KKAAMN COc1ccc(NC(=O)CSc2nc3cc(Oc4ccc5nc(SCC(=O)Nc6ccc(OC)cc6)[nH]c5c4)ccc3[nH]2)cc1 ZINC000150390570 571472896 /nfs/dbraw/zinc/47/28/96/571472896.db2.gz XARILVVSCHEMHK-UHFFFAOYSA-N 0 1 640.747 6.710 50 0 KKAAMN COc1ccc(Br)cc1[C@@H]1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)C(=O)N1c1ccc(C)c(F)c1 ZINC000150403255 571478625 /nfs/dbraw/zinc/47/86/25/571478625.db2.gz AEAJKSZKWQAAGI-FGZHOGPDSA-N 0 1 647.111 7.272 50 0 KKAAMN COc1cc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Br)c(C)c2)cc(OC)c1OC ZINC000150403287 571478635 /nfs/dbraw/zinc/47/86/35/571478635.db2.gz NATAQRHKYPDJIH-GOTSBHOMSA-N 0 1 689.173 7.150 50 0 KKAAMN COc1cc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cccc(Cl)c2C)cc(OC)c1OC ZINC000150403392 571478749 /nfs/dbraw/zinc/47/87/49/571478749.db2.gz KDPYOPGPXPCHIT-GOTSBHOMSA-N 0 1 644.722 7.041 50 0 KKAAMN CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(-n3[nH]c(N4CCCC4)c(S4=NN=NN4c4ccccc4)c3=O)cc2)c(C(C)(C)CC)c1 ZINC000150407680 571480190 /nfs/dbraw/zinc/48/01/90/571480190.db2.gz JDXYEFSDSSLJAF-NUNVOQDLSA-N 0 1 710.949 8.503 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)ccc1N1CCCC1 ZINC000150408088 571480598 /nfs/dbraw/zinc/48/05/98/571480598.db2.gz HFXNAMFFHWHTQI-UHFFFAOYSA-N 0 1 634.780 5.482 50 0 KKAAMN CCN(CC)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)c2)cc1S(=O)(=O)Nc1ccccc1OC ZINC000150408372 571480743 /nfs/dbraw/zinc/48/07/43/571480743.db2.gz HQROXIOTQPMRFB-QHCPKHFHSA-N 0 1 648.807 5.734 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000150410949 571483386 /nfs/dbraw/zinc/48/33/86/571483386.db2.gz MXBKJDWRKPKLPG-XJDVZLJJSA-N 0 1 683.676 11.102 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCCN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000150414311 571484986 /nfs/dbraw/zinc/48/49/86/571484986.db2.gz CNBMWNUQNYTYSN-JGCGQSQUSA-N 0 1 647.817 5.556 50 0 KKAAMN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCCN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000150418783 571486687 /nfs/dbraw/zinc/48/66/87/571486687.db2.gz QHDFULCTZWBZTE-GDLZYMKVSA-N 0 1 682.218 5.208 50 0 KKAAMN COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](c4ccccc4)C3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000150419948 571487057 /nfs/dbraw/zinc/48/70/57/571487057.db2.gz YZOPLKIMLXNHAW-LUWBXXKHSA-N 0 1 650.728 7.602 50 0 KKAAMN CCOc1cc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)ccc1OCc1ccc(Cl)cc1 ZINC000150419662 571487212 /nfs/dbraw/zinc/48/72/12/571487212.db2.gz FPLVFHJDZSWAGN-XDCSYDRFSA-N 0 1 647.093 9.430 50 0 KKAAMN COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(SC2=C(Nc3ccc(C)c(C)c3)C(=O)N(Cc3ccco3)C2=O)cc1 ZINC000150423556 571488848 /nfs/dbraw/zinc/48/88/48/571488848.db2.gz WTGABXWJPJSOEO-UHFFFAOYSA-N 0 1 668.591 6.453 50 0 KKAAMN Cc1c(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)c(S(=O)(=O)Nc4ccc(Cl)cc4)c3)ccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000150424214 571488954 /nfs/dbraw/zinc/48/89/54/571488954.db2.gz XUHTWFNLEDCESS-UHFFFAOYSA-N 0 1 721.044 6.299 50 0 KKAAMN O=C(OC(c1ccccc1)c1ccccc1)[C@H]1[C@@H](C(=O)c2ccc(Cl)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000150425324 571489714 /nfs/dbraw/zinc/48/97/14/571489714.db2.gz LCKSGIXFRYZEAE-UKVDXBKXSA-N 0 1 637.135 7.646 50 0 KKAAMN O=C(OC(c1ccccc1)c1ccccc1)[C@H]1[C@@H](C(=O)c2ccc(Cl)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000150425325 571489740 /nfs/dbraw/zinc/48/97/40/571489740.db2.gz LCKSGIXFRYZEAE-QHXNCVDGSA-N 0 1 637.135 7.646 50 0 KKAAMN COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](c4ccc(C)cc4)C3)[C@H]2c2cccc(Br)c2)cc(OC)c1OC ZINC000150437112 571496556 /nfs/dbraw/zinc/49/65/56/571496556.db2.gz VTZYMDZMMIMYLW-PBUKZNKTSA-N 0 1 653.573 8.647 50 0 KKAAMN COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4ccc(C)cc4)C3)[C@H]2c2cccc(Br)c2)cc(OC)c1OC ZINC000150437108 571496607 /nfs/dbraw/zinc/49/66/07/571496607.db2.gz VTZYMDZMMIMYLW-YUYWZBKDSA-N 0 1 653.573 8.647 50 0 KKAAMN COc1cc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(Cl)c2)cc(OC)c1OC ZINC000150440244 571497865 /nfs/dbraw/zinc/49/78/65/571497865.db2.gz QNFYXZLNIRQJDK-GOTSBHOMSA-N 0 1 644.722 7.041 50 0 KKAAMN COc1cc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cc(Cl)cc(Cl)c2)cc(OC)c1OC ZINC000150440230 571497878 /nfs/dbraw/zinc/49/78/78/571497878.db2.gz TWOHEVSOPVWMIT-FCHUYYIVSA-N 0 1 665.140 7.386 50 0 KKAAMN COc1cc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000150440268 571497897 /nfs/dbraw/zinc/49/78/97/571497897.db2.gz UXOBXWGDZCVSBM-FGZHOGPDSA-N 0 1 665.140 7.386 50 0 KKAAMN COc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2ccc3c(c2)OCO3)cc1Cl ZINC000150451641 571503004 /nfs/dbraw/zinc/50/30/04/571503004.db2.gz WIELUBOWBSPHDS-FCHUYYIVSA-N 0 1 614.652 6.444 50 0 KKAAMN COc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2ccc3c(c2)OCO3)cc1Cl ZINC000150451633 571503008 /nfs/dbraw/zinc/50/30/08/571503008.db2.gz WIELUBOWBSPHDS-VXKWHMMOSA-N 0 1 614.652 6.444 50 0 KKAAMN Ic1cccc(-c2nc(-c3ccc(-c4ccc(C5=NC(c6cccc(I)c6)=N[C@@H]5c5ccccc5)cc4)cc3)c(-c3ccccc3)[nH]2)c1 ZINC000150451905 571503255 /nfs/dbraw/zinc/50/32/55/571503255.db2.gz VSXZKNTUHIWZJD-DIPNUNPCSA-N 0 1 842.522 11.278 50 0 KKAAMN COc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)ccc2C)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000150452756 571503421 /nfs/dbraw/zinc/50/34/21/571503421.db2.gz MXDIACMBNPXHMW-UHFFFAOYSA-N 0 1 648.532 5.759 50 0 KKAAMN COc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000150455825 571504470 /nfs/dbraw/zinc/50/44/70/571504470.db2.gz KSQHMVYRWAFEBR-GOTSBHOMSA-N 0 1 626.276 6.087 50 0 KKAAMN COc1cc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cc(F)ccc2C)cc(OC)c1OC ZINC000150455872 571504575 /nfs/dbraw/zinc/50/45/75/571504575.db2.gz FTIBWEUUPGBKBX-DHIUTWEWSA-N 0 1 628.267 6.526 50 0 KKAAMN O=c1/c(=C/c2cc(Br)cc(Br)c2O)sc2n1[C@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000150482213 571512966 /nfs/dbraw/zinc/51/29/66/571512966.db2.gz IOOBUGLLRRHISU-DKOMQPSQSA-N 0 1 628.773 6.203 50 0 KKAAMN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H](C)OC(=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000150502208 571518930 /nfs/dbraw/zinc/51/89/30/571518930.db2.gz BJQXRUOKNACELU-SFHVURJKSA-N 0 1 646.665 6.595 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)Nc3cccc(-c4nnc[nH]4)c3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000150653237 571525936 /nfs/dbraw/zinc/52/59/36/571525936.db2.gz CLTBIDGKRYXVOI-MHZLTWQESA-N 0 1 640.741 5.259 50 0 biogenic KKAAMN O=C(Nc1ccc(Oc2ccc3ccccc3c2Cl)cc1Cl)c1cc(Br)ccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000159694478 571530589 /nfs/dbraw/zinc/53/05/89/571530589.db2.gz PTOZGBYVCOMQCX-UHFFFAOYSA-N 0 1 676.803 9.408 50 0 KKAAMN COc1cc2c3c(c1O)-c1cc(OC)c(Oc4cc(OC)c(OC)cc4C[C@H]4c5cc(OC)c(OC)cc5CCN4C)cc1C[C@H]3N(C)CC2 ZINC000195484573 571563114 /nfs/dbraw/zinc/56/31/14/571563114.db2.gz DRACRVAKPKYPSB-URLMMPGGSA-N 0 1 682.814 6.760 50 0 KKAAMN CC[C@H](C)Oc1ccccc1[C@H]1C2=C(C[C@H](c3ccc(OC)c(OC)c3)CC2=O)Nc2ccccc2N1C(C)=O ZINC000225919886 572082703 /nfs/dbraw/zinc/08/27/03/572082703.db2.gz NDFQGAPAMMDGMJ-INZDWPOASA-N 0 1 540.660 7.451 50 0 biogenic KKAAMN Clc1cccc(Cl)c1Cn1nc(CNCCSc2nnnn2-c2ccccc2)c(-c2ccccc2)n1 ZINC000261492139 572110284 /nfs/dbraw/zinc/11/02/84/572110284.db2.gz QTDUYMFLGHJORG-UHFFFAOYSA-N 0 1 537.480 5.158 50 0 KKAAMN COc1ccc(CCOc2c(OC)cccc2[C@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(OC)c(OC)c5)coc-4c32)cc1 ZINC000263585644 572119251 /nfs/dbraw/zinc/11/92/51/572119251.db2.gz KYMBGRIWXLLXQF-XMMPIXPASA-N 0 1 624.642 6.263 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)Nc3ccc4nc(C(C)C)[nH]c4c3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263586104 572122211 /nfs/dbraw/zinc/12/22/11/572122211.db2.gz QDTTXGCXZGCQJL-YZNIXAGQSA-N 0 1 655.796 6.328 50 0 KKAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2ccc(OCc3ccccc3)c(OC)c2)cc1OC ZINC000263586910 572125810 /nfs/dbraw/zinc/12/58/10/572125810.db2.gz ZLTOBIHKCIBKTR-JOCHJYFZSA-N 0 1 580.589 6.211 50 0 KKAAMN CCOc1cc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc(Br)c1O ZINC000226815757 572142008 /nfs/dbraw/zinc/14/20/08/572142008.db2.gz RKPQVONPAYTESG-QZNHQXDQSA-N 0 1 543.801 5.258 50 0 KKAAMN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@@H]3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000226830313 572142627 /nfs/dbraw/zinc/14/26/27/572142627.db2.gz AWTMRMZOPKALKI-ZGIBFIJWSA-N 0 1 534.568 5.274 50 0 KKAAMN COc1cc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000226826887 572142738 /nfs/dbraw/zinc/14/27/38/572142738.db2.gz AEFDWUVQUGACEF-ZGIBFIJWSA-N 0 1 534.568 5.274 50 0 KKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(F)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3c4ccccc4ccc3N12 ZINC000226838079 572143421 /nfs/dbraw/zinc/14/34/21/572143421.db2.gz PYVLFAANCGCNQE-MLSLEFIRSA-N 0 1 502.545 5.541 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2C(=C(O)c3cccnc3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000226913624 572145083 /nfs/dbraw/zinc/14/50/83/572145083.db2.gz MPYXLRDDQSGUAQ-XYIJYTLJSA-N 0 1 539.635 5.945 50 0 KKAAMN O=C(c1ccccc1Cl)[C@@H]1C(=C(O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000226922223 572145181 /nfs/dbraw/zinc/14/51/81/572145181.db2.gz LEOQLMIJLWMJNP-NBJHOTSESA-N 0 1 531.011 6.196 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccc(CC(C)C)cc3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4ccccc4N32)c1 ZINC000227022947 572147334 /nfs/dbraw/zinc/14/73/34/572147334.db2.gz SQNVYPDRDQGODL-LVLBQQNZSA-N 0 1 596.727 7.140 50 0 KKAAMN CC(C)Cc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227067629 572148872 /nfs/dbraw/zinc/14/88/72/572148872.db2.gz RCTOPHZWRMEQHQ-ZXFZPVEDSA-N 0 1 558.703 6.803 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000227229912 572150889 /nfs/dbraw/zinc/15/08/89/572150889.db2.gz TZUNLFJDWCLZIL-FRXPANAUSA-N 0 1 599.481 6.396 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2C(=C(O)c3ccc4c(c3)OCO4)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000227230556 572150983 /nfs/dbraw/zinc/15/09/83/572150983.db2.gz BQTCEKOBHWDQGX-DEGFIOCKSA-N 0 1 582.656 6.278 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2C(=C(O)c3ccc(CC(C)C)cc3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000227231096 572151039 /nfs/dbraw/zinc/15/10/39/572151039.db2.gz HYIHZOXHVDKUTQ-VTHOMVFTSA-N 0 1 594.755 7.748 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000227233893 572151855 /nfs/dbraw/zinc/15/18/55/572151855.db2.gz AAAJFWWGPFFRCY-ZGIBFIJWSA-N 0 1 603.444 6.227 50 0 KKAAMN COc1ccc(C(O)=C2[C@@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227243382 572152821 /nfs/dbraw/zinc/15/28/21/572152821.db2.gz CNPGAFNPLJVXDW-ZXFZPVEDSA-N 0 1 575.064 6.595 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000227292848 572153612 /nfs/dbraw/zinc/15/36/12/572153612.db2.gz OIRWBXMOGKGXBN-UPRLRBBYSA-N 0 1 599.437 5.728 50 0 KKAAMN CC(C)(C)C(=O)[C@@H]1[C@H](C(=O)c2ccc(Br)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000229873428 572163816 /nfs/dbraw/zinc/16/38/16/572163816.db2.gz CHJHJUPTLFDOAO-XZSHTLEFSA-N 0 1 555.472 6.038 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(=C(O)c2ccccc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000229911070 572168482 /nfs/dbraw/zinc/16/84/82/572168482.db2.gz JLXABJXTIHIMBM-AGKKXDHOSA-N 0 1 565.094 6.956 50 0 KKAAMN COC(=O)C1(C(=O)OC)[C@H](c2ccccc2)[C@H](C(=O)c2ccc(Cl)cc2Cl)N2C=Cc3ccccc3[C@H]21 ZINC000229932175 572170850 /nfs/dbraw/zinc/17/08/50/572170850.db2.gz XZLDJIMNFYMIEX-MZKUHISZSA-N 0 1 536.411 5.702 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2C(=C(O)c3ccc(OC)cc3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=Cc4ccccc4N32)cc1 ZINC000229936556 572171967 /nfs/dbraw/zinc/17/19/67/572171967.db2.gz VYVVVCHSIGQPSQ-XYIJYTLJSA-N 0 1 556.618 5.560 50 0 KKAAMN CC(C)Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229942714 572172462 /nfs/dbraw/zinc/17/24/62/572172462.db2.gz RCTOPHZWRMEQHQ-KVOHOPFUSA-N 0 1 558.703 6.803 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229962696 572174645 /nfs/dbraw/zinc/17/46/45/572174645.db2.gz PXTUMZQKCCHTGO-CLWMVSBGSA-N 0 1 526.592 5.551 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(=C(O)c1ccc(Cl)cc1)[C@@]21C(=O)Nc2ccccc21 ZINC000229972007 572175928 /nfs/dbraw/zinc/17/59/28/572175928.db2.gz SNBOTEQUDBQPDP-DCMQHHMNSA-N 0 1 545.038 6.586 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000230012315 572178392 /nfs/dbraw/zinc/17/83/92/572178392.db2.gz KMIKRSANLJWQSH-HMYMNELBSA-N 0 1 534.656 5.982 50 0 KKAAMN Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C(=O)c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCCN21 ZINC000230020022 572179182 /nfs/dbraw/zinc/17/91/82/572179182.db2.gz YCCPIQFTOOLLBA-NCZAXEGCSA-N 0 1 532.427 5.316 50 0 KKAAMN CCCCN(CCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1)Cc1ccco1 ZINC000230077511 572182857 /nfs/dbraw/zinc/18/28/57/572182857.db2.gz WFEMJSZDVAMTCD-NSOVKSMOSA-N 0 1 519.711 5.983 50 0 KKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccccc1O[C@H](C)CC ZINC000230095853 572183418 /nfs/dbraw/zinc/18/34/18/572183418.db2.gz GFYWSKZRDYFRCN-FNVWIQIJSA-N 0 1 554.687 7.841 50 0 biogenic KKAAMN CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(OC)cc4)[C@@]3(c3ccccc3)C2=O)cc1 ZINC000239287415 572192891 /nfs/dbraw/zinc/19/28/91/572192891.db2.gz CSPMPBHDTIPGRZ-VQCQPQSOSA-N 0 1 520.585 5.467 50 0 KKAAMN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(OC)cc4)[C@@]3(c3ccccc3)C2=O)cc1 ZINC000239287415 572192895 /nfs/dbraw/zinc/19/28/95/572192895.db2.gz CSPMPBHDTIPGRZ-VQCQPQSOSA-N 0 1 520.585 5.467 50 0 KKAAMN O=C(c1ccccc1F)[C@@H]1C(=C(O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000245240027 572213520 /nfs/dbraw/zinc/21/35/20/572213520.db2.gz JWRRNYZTZWGEFD-CILKRHGOSA-N 0 1 514.556 5.682 50 0 KKAAMN O=C(c1ccco1)C1[C@@H](C(=O)c2ccccc2Cl)N2c3ccccc3C=C[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000245240300 572213814 /nfs/dbraw/zinc/21/38/14/572213814.db2.gz QOMVAARPVKCEBK-BYBRNZAOSA-N 0 1 520.972 5.789 50 0 KKAAMN CCCCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@]23c2ccccc2NC3=O)cc1 ZINC000245246396 572219379 /nfs/dbraw/zinc/21/93/79/572219379.db2.gz KMNZWHXZMZQCLV-ICKVEWNLSA-N 0 1 574.765 7.706 50 0 KKAAMN COc1cccc(C(O)=C2[C@H](C(=O)c3ccccc3Cl)N3c4ccccc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000245246775 572219782 /nfs/dbraw/zinc/21/97/82/572219782.db2.gz NGPBQPKJAPJDSF-IANDGLOUSA-N 0 1 561.037 6.205 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(=C(O)c2ccc(Cl)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000245246837 572219792 /nfs/dbraw/zinc/21/97/92/572219792.db2.gz PJICONYPPBJKPV-CILKRHGOSA-N 0 1 565.094 6.956 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c2ccc(CC(C)C)cc2)[C@]12c1ccccc1NC2=O ZINC000245246840 572219842 /nfs/dbraw/zinc/21/98/42/572219842.db2.gz PPYQOMCAUXIBBA-JQTOWZEKSA-N 0 1 560.738 7.172 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@H](C(=O)c2ccc(CC(C)C)cc2)[C@]12c1ccccc1NC2=O ZINC000245246839 572219978 /nfs/dbraw/zinc/21/99/78/572219978.db2.gz PPYQOMCAUXIBBA-FCEZHZJESA-N 0 1 560.738 7.172 50 0 KKAAMN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(=C(O)c2ccccc2F)[C@@]12C(=O)Nc1ccccc12 ZINC000245247832 572221194 /nfs/dbraw/zinc/22/11/94/572221194.db2.gz YBBWWYMELMAGHI-XTQYNZLPSA-N 0 1 508.593 5.723 50 0 KKAAMN Cn1nc(-c2ccccc2)c(CN(C[C@@H](O)COC(C)(C)C)C[C@H]2CCCO2)c1Oc1cccc(F)c1 ZINC000245279149 572224057 /nfs/dbraw/zinc/22/40/57/572224057.db2.gz FJVGAVQSDAUGSC-ILBGXUMGSA-N 0 1 511.638 5.176 50 0 KKAAMN CC(C)COC[C@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@H]1CCCO1 ZINC000245281241 572224615 /nfs/dbraw/zinc/22/46/15/572224615.db2.gz WPDHQPMIUOUXAW-AOYPEHQESA-N 0 1 511.638 5.033 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc(Cl)cc1)C(=C(O)c1ccccc1)[C@]21C(=O)Nc2ccccc21 ZINC000245309153 572227006 /nfs/dbraw/zinc/22/70/06/572227006.db2.gz BRXVSJPHZYSPQO-CTMYTVLESA-N 0 1 545.038 6.586 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(=C(O)c2ccc(F)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000245311024 572228909 /nfs/dbraw/zinc/22/89/09/572228909.db2.gz LQAIAPFEDGJJKY-UODPJZIASA-N 0 1 548.639 6.442 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@H](C(=O)c3cccc(OC)c3)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000245329460 572235542 /nfs/dbraw/zinc/23/55/42/572235542.db2.gz ZFQGJWRMPKSSCL-VIJPYWPYSA-N 0 1 582.700 6.894 50 0 KKAAMN Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3)C[C@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000245343314 572238276 /nfs/dbraw/zinc/23/82/76/572238276.db2.gz LRLFKNQGLFKLBZ-WNJJXGMVSA-N 0 1 576.625 8.047 50 0 KKAAMN O=C(NCc1ccc(Br)cc1)[C@@H]1CCCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247469515 572242492 /nfs/dbraw/zinc/24/24/92/572242492.db2.gz DXTKWLCQENMOIQ-JOCHJYFZSA-N 0 1 551.916 6.029 50 0 KKAAMN O=C(Nc1cccc2ccccc21)[C@@H]1CCCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247720652 572243808 /nfs/dbraw/zinc/24/38/08/572243808.db2.gz AFFDGHSTNVOXTN-XMMPIXPASA-N 0 1 509.053 6.742 50 0 KKAAMN O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247740678 572244199 /nfs/dbraw/zinc/24/41/99/572244199.db2.gz NLCULVGISUPKDD-KRWDZBQOSA-N 0 1 558.307 6.946 50 0 KKAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2ccccc2F)CC1 ZINC000247842923 572245936 /nfs/dbraw/zinc/24/59/36/572245936.db2.gz FZTQSCRLCHIVMZ-JOCHJYFZSA-N 0 1 576.514 5.488 50 0 KKAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccccc2F)CC1 ZINC000247839336 572246072 /nfs/dbraw/zinc/24/60/72/572246072.db2.gz DZOJIUBDBADWPU-DEOSSOPVSA-N 0 1 546.090 5.438 50 0 KKAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000247851070 572246376 /nfs/dbraw/zinc/24/63/76/572246376.db2.gz IRNOTFKIXGHSHN-QFIPXVFZSA-N 0 1 532.063 5.379 50 0 KKAAMN Cc1ccc(C)c(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)c1 ZINC000247854185 572246612 /nfs/dbraw/zinc/24/66/12/572246612.db2.gz BWDHGCXQRRMCJV-HHHXNRCGSA-N 0 1 556.154 5.916 50 0 KKAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000247871739 572247045 /nfs/dbraw/zinc/24/70/45/572247045.db2.gz QYKGWKIXURMSDN-OAQYLSRUSA-N 0 1 627.414 6.656 50 0 KKAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2ccc(F)cc2F)CC1 ZINC000247870906 572247305 /nfs/dbraw/zinc/24/73/05/572247305.db2.gz QOOKZSPZWKPEJC-OAQYLSRUSA-N 0 1 594.504 5.627 50 0 KKAAMN O=C(c1ccc(Cl)c(Cl)c1)N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000247875146 572247509 /nfs/dbraw/zinc/24/75/09/572247509.db2.gz NQCHRJRXIKVABB-XMMPIXPASA-N 0 1 625.000 6.241 50 0 KKAAMN O=C(c1ccc(Cl)c(Cl)c1)N1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000247875145 572247578 /nfs/dbraw/zinc/24/75/78/572247578.db2.gz NQCHRJRXIKVABB-DEOSSOPVSA-N 0 1 625.000 6.241 50 0 KKAAMN COc1ccc(Cn2c(CN3CCC[C@H](C(=O)N4CCN(c5ccc(Cl)cc5)CC4)C3)nc3ccccc32)cc1 ZINC000247877590 572247974 /nfs/dbraw/zinc/24/79/74/572247974.db2.gz HRKUDLRLOWSQRK-VWLOTQADSA-N 0 1 558.126 5.307 50 0 KKAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N(C1CCCCC1)C1CCCCC1 ZINC000247889797 572248260 /nfs/dbraw/zinc/24/82/60/572248260.db2.gz YCOBLRXDHATCFS-DEOSSOPVSA-N 0 1 577.611 7.494 50 0 KKAAMN COc1ccc(Cn2c(CN3CCC[C@H](C(=O)N(C4CCCCC4)C4CCCCC4)C3)nc3ccccc32)cc1 ZINC000247883910 572248306 /nfs/dbraw/zinc/24/83/06/572248306.db2.gz KHCGDBXHAOQXTM-MHZLTWQESA-N 0 1 542.768 6.799 50 0 KKAAMN COc1ccc(CNC(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)cc1 ZINC000247919874 572249494 /nfs/dbraw/zinc/24/94/94/572249494.db2.gz XGXPKAGJUKAIKQ-NRFANRHFSA-N 0 1 533.470 5.325 50 0 KKAAMN O=C(c1ccccc1Cl)N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000247941997 572250252 /nfs/dbraw/zinc/25/02/52/572250252.db2.gz QAAGOHJOPWRVKK-XMMPIXPASA-N 0 1 590.555 5.588 50 0 KKAAMN CC(C)n1c2ccccc2nc1CN1CCC[C@H](C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000247969080 572251261 /nfs/dbraw/zinc/25/12/61/572251261.db2.gz CQBQLSARSSICHV-FQEVSTJZSA-N 0 1 542.511 5.121 50 0 KKAAMN Cc1ccccc1NC(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247977991 572251331 /nfs/dbraw/zinc/25/13/31/572251331.db2.gz DSBGSLZZFXMPGG-HXUWFJFHSA-N 0 1 503.444 5.947 50 0 KKAAMN CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1ccc(Cl)cc1N1CCN(Cc3ccccc3)C[C@H]12 ZINC000247997867 572251604 /nfs/dbraw/zinc/25/16/04/572251604.db2.gz DMBVCXJRXPFFAC-XTEPFMGCSA-N 0 1 505.449 5.649 50 0 KKAAMN Cc1ccc(NC(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)cc1 ZINC000247991613 572251644 /nfs/dbraw/zinc/25/16/44/572251644.db2.gz MXMCPJURABYYMV-FQEVSTJZSA-N 0 1 503.444 5.947 50 0 KKAAMN Cc1cccc(CCNC(=O)[C@H]2CCCN(Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)c1 ZINC000248056529 572252998 /nfs/dbraw/zinc/25/29/98/572252998.db2.gz CEWAAOKDMKQCRY-VWLOTQADSA-N 0 1 501.074 5.617 50 0 KKAAMN Cc1ccccc1N1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000248072446 572253147 /nfs/dbraw/zinc/25/31/47/572253147.db2.gz AHHREJGMAWSHLI-DEOSSOPVSA-N 0 1 572.551 5.657 50 0 KKAAMN Cc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000248093328 572253399 /nfs/dbraw/zinc/25/33/99/572253399.db2.gz HQAQLDQKVYVYTP-AREMUKBSSA-N 0 1 542.127 5.607 50 0 KKAAMN CCCC[C@H](CC)C(=O)N1CCCN(C(=O)[C@@H](C)N2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000248104440 572253520 /nfs/dbraw/zinc/25/35/20/572253520.db2.gz QDGPRDNTJMHSBT-FMGHJNRGSA-N 0 1 509.760 5.670 50 0 KKAAMN CCCC[C@H](CC)C(=O)N1CCCN(C(=O)[C@H](C)N2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000248104445 572253633 /nfs/dbraw/zinc/25/36/33/572253633.db2.gz QDGPRDNTJMHSBT-IBGGVINMSA-N 0 1 509.760 5.670 50 0 KKAAMN Cc1ccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)cc1 ZINC000248097262 572253663 /nfs/dbraw/zinc/25/36/63/572253663.db2.gz IQLLZEXSVNXIAU-AREMUKBSSA-N 0 1 542.127 5.607 50 0 KKAAMN Cc1cccc(N2CCN(C(=O)[C@H]3CCCN(Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)c1 ZINC000248106526 572253812 /nfs/dbraw/zinc/25/38/12/572253812.db2.gz LSQMQGXTVHSESX-DEOSSOPVSA-N 0 1 572.551 5.657 50 0 KKAAMN COc1ccc(NC(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1 ZINC000248125584 572254492 /nfs/dbraw/zinc/25/44/92/572254492.db2.gz FRZWOYNQQJUYHJ-IBGZPJMESA-N 0 1 519.443 5.647 50 0 KKAAMN COc1ccccc1NC(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000248146214 572255490 /nfs/dbraw/zinc/25/54/90/572255490.db2.gz WWDOOYYUYVLQTQ-LJQANCHMSA-N 0 1 519.443 5.647 50 0 KKAAMN Cc1ccc(N2CCN(C(=O)[C@H]3CCCN(Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)cc1C ZINC000248143736 572255526 /nfs/dbraw/zinc/25/55/26/572255526.db2.gz GOJJNHHCEQZABO-MHZLTWQESA-N 0 1 556.154 5.916 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2C(=C(O)c3ccc(OC)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000248150837 572255654 /nfs/dbraw/zinc/25/56/54/572255654.db2.gz VYVVVCHSIGQPSQ-FKGBSIOTSA-N 0 1 556.618 5.560 50 0 KKAAMN Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)cc1C ZINC000248164828 572256099 /nfs/dbraw/zinc/25/60/99/572256099.db2.gz QTXMIGVAITZXAJ-NRFANRHFSA-N 0 1 517.471 6.256 50 0 KKAAMN Cc1ccc(NC(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)cc1C ZINC000248164828 572256100 /nfs/dbraw/zinc/25/61/00/572256100.db2.gz QTXMIGVAITZXAJ-NRFANRHFSA-N 0 1 517.471 6.256 50 0 KKAAMN Cc1ccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)cc1C ZINC000248172611 572256241 /nfs/dbraw/zinc/25/62/41/572256241.db2.gz XEKMMOJCSBWSIR-RUZDIDTESA-N 0 1 525.672 5.342 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1OC ZINC000248232498 572256761 /nfs/dbraw/zinc/25/67/61/572256761.db2.gz AXJFRACHOKARFO-CPWWYQHDSA-N 0 1 536.628 5.292 50 0 KKAAMN CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C(C)=C[C@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000248269692 572257595 /nfs/dbraw/zinc/25/75/95/572257595.db2.gz PSPQXTVPIFUNTA-BCHNEZAYSA-N 0 1 532.684 6.618 50 0 KKAAMN CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4ccc(Cl)cc4N4CCN(Cc5ccccc5)C[C@H]43)C2=O)cc1 ZINC000248289869 572257786 /nfs/dbraw/zinc/25/77/86/572257786.db2.gz KDGHVVLSQKCCOI-QCENPCRXSA-N 0 1 543.067 5.173 50 0 KKAAMN CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4cc(Br)ccc4N4CCN(Cc5ccccc5)C[C@H]43)C2=O)cc1 ZINC000248288232 572257822 /nfs/dbraw/zinc/25/78/22/572257822.db2.gz HMYBVOZWVICHGA-IZEXYCQBSA-N 0 1 587.518 5.282 50 0 KKAAMN CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@]23c2ccccc2NC3=O)cc1 ZINC000248292075 572257919 /nfs/dbraw/zinc/25/79/19/572257919.db2.gz UNARJIQHQMBRBX-LCNNHFSHSA-N 0 1 546.711 6.926 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(=C(O)c1ccncc1)[C@]21C(=O)Nc2ccccc21 ZINC000248335225 572258276 /nfs/dbraw/zinc/25/82/76/572258276.db2.gz MTZZNIYUKBMWAH-AGKKXDHOSA-N 0 1 511.581 5.328 50 0 KKAAMN CCc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000251980823 572259658 /nfs/dbraw/zinc/25/96/58/572259658.db2.gz FTFHOBGJZUABPL-RUZDIDTESA-N 0 1 586.578 5.911 50 0 KKAAMN CCc1ccc(NC(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)cc1 ZINC000252006541 572259743 /nfs/dbraw/zinc/25/97/43/572259743.db2.gz PDHJNVQIRGFGOZ-NRFANRHFSA-N 0 1 517.471 6.201 50 0 KKAAMN CC(C)c1ccccc1NC(=O)[C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000252370520 572260186 /nfs/dbraw/zinc/26/01/86/572260186.db2.gz YDQYBSGQBJBFSV-NRFANRHFSA-N 0 1 531.498 6.762 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000252537622 572262911 /nfs/dbraw/zinc/26/29/11/572262911.db2.gz LVQUXHKZDJLRJA-BHYZAODMSA-N 0 1 688.891 5.177 50 0 KKAAMN Cc1ccc(C)c(NC(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)c1 ZINC000253479738 572289990 /nfs/dbraw/zinc/28/99/90/572289990.db2.gz RZQOIBNBFRAMJW-OAQYLSRUSA-N 0 1 517.471 6.256 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccc3c(c2)OCO3)[C@@]12C(=O)Nc1ccccc12 ZINC000253488105 572291318 /nfs/dbraw/zinc/29/13/18/572291318.db2.gz XCICHDJMQPMFRE-RJISQBBCSA-N 0 1 568.629 5.970 50 0 KKAAMN COc1ccc(Cn2c(CN3CCC[C@H](C(=O)N4CCN(c5ccc(C(C)C)cc5)CC4)C3)nc3ccccc32)cc1 ZINC000253607334 572300990 /nfs/dbraw/zinc/30/09/90/572300990.db2.gz MPZNZGJJCVCKEU-LJAQVGFWSA-N 0 1 565.762 5.777 50 0 KKAAMN CC(C)c1ccccc1N1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000253607265 572301008 /nfs/dbraw/zinc/30/10/08/572301008.db2.gz HVOXUTDNQMPWRR-VWLOTQADSA-N 0 1 600.605 6.472 50 0 KKAAMN CC(C)c1ccccc1NC(=O)[C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000253607533 572301067 /nfs/dbraw/zinc/30/10/67/572301067.db2.gz IBAPXSMXRSAOHU-NRFANRHFSA-N 0 1 531.498 6.762 50 0 KKAAMN Cc1ccc2nc(SCC(=O)N3N=C4C(=Cc5cccs5)CCC[C@@H]4[C@H]3c3cccs3)[nH]c2c1 ZINC000254872443 572303848 /nfs/dbraw/zinc/30/38/48/572303848.db2.gz OGJUTUCANNPELU-BVTRSXGESA-N 0 1 504.706 6.910 50 0 KKAAMN CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]2O[C@H](SC)[C@H](O)[C@@H]3O[C@@H](c4ccc(OC)cc4)O[C@H]32)N(C)C1 ZINC000257359384 572322172 /nfs/dbraw/zinc/32/21/72/572322172.db2.gz ZXIDTTGVCKUJNE-QGFGJNQOSA-N 0 1 767.001 6.929 50 0 KKAAMN O=C1c2cccc3cccc(c32)C(=O)N1c1ccc(-c2nc3ccc(N4C(=O)c5cccc6cccc(c65)C4=O)cc3[nH]2)cc1 ZINC000100305771 1069731886 /nfs/dbraw/zinc/73/18/86/1069731886.db2.gz COOYEIXLAHSMSN-UHFFFAOYSA-N 0 1 584.591 7.138 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CCSC)C(=O)Nc3n[nH]c(CCC4CCCC4)n3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000409413148 1069808300 /nfs/dbraw/zinc/80/83/00/1069808300.db2.gz APCHDXMNBDNJEN-AHKZPQOWSA-N 0 1 678.856 5.276 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CCSC)C(=O)Nc3nc(CCC4CCCC4)n[nH]3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000409413148 1069808322 /nfs/dbraw/zinc/80/83/22/1069808322.db2.gz APCHDXMNBDNJEN-AHKZPQOWSA-N 0 1 678.856 5.276 50 0 KKAAMN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc2nc(C(C)C)[nH]c2c1 ZINC000409414306 1069810571 /nfs/dbraw/zinc/81/05/71/1069810571.db2.gz KKHIJKWQUCZCPB-BNYYLHERSA-N 0 1 655.796 6.328 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)Nc3ccc4nc(CCc5ccccc5)[nH]c4c3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409414784 1069811202 /nfs/dbraw/zinc/81/12/02/1069811202.db2.gz OEYQEKBCVARNGX-PZGXJGMVSA-N 0 1 675.786 5.964 50 0 KKAAMN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000409414802 1069812215 /nfs/dbraw/zinc/81/22/15/1069812215.db2.gz ORCSDDXRZCRAIF-OLSNNEAQSA-N 0 1 627.742 5.513 50 0 KKAAMN O=C(c1cn2ccsc2n1)N1CCCC[C@@H]1CCOc1cccc(CN2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000101757742 1069819375 /nfs/dbraw/zinc/81/93/75/1069819375.db2.gz COSKVTNVKVVBLC-RUZDIDTESA-N 0 1 564.155 5.835 50 0 KKAAMN O=C(c1cn2ccsc2n1)N1CCCC[C@H]1CCOc1cccc(CN2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000101757738 1069819426 /nfs/dbraw/zinc/81/94/26/1069819426.db2.gz COSKVTNVKVVBLC-VWLOTQADSA-N 0 1 564.155 5.835 50 0 KKAAMN O=C(c1cc2c([nH]c1=O)CCCC2)N1CCCC[C@H]1CCOc1cccc(CN2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000101755208 1069819482 /nfs/dbraw/zinc/81/94/82/1069819482.db2.gz CFKDJIRPJXRLRI-NDEPHWFRSA-N 0 1 589.180 5.693 50 0 KKAAMN C[N@@H+](Cc1cccc(OC[C@@H]2CCCN(C(=O)c3cc(-c4ccccc4)n[nH]3)C2)c1)Cc1ccc2ncccc2c1 ZINC000101936664 1069824045 /nfs/dbraw/zinc/82/40/45/1069824045.db2.gz JBLOXHQFXNLXLO-HHHXNRCGSA-N 0 1 545.687 6.188 50 0 KKAAMN COc1ccc(CCc2nnc(NC(=O)CCCCCNc3ccc4c(cc3=O)[C@@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)[nH]2)cc1OC ZINC000524730073 1069828697 /nfs/dbraw/zinc/82/86/97/1069828697.db2.gz UTGDKUNKHNEAGJ-NDEPHWFRSA-N 0 1 728.847 5.395 50 0 KKAAMN COc1ccc(CCc2n[nH]c(NC(=O)CCCCCNc3ccc4c(cc3=O)[C@@H](NC(C)=O)CCc3cc(OC)c(OC)c(OC)c3-4)n2)cc1OC ZINC000524730073 1069828725 /nfs/dbraw/zinc/82/87/25/1069828725.db2.gz UTGDKUNKHNEAGJ-NDEPHWFRSA-N 0 1 728.847 5.395 50 0 KKAAMN Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000524732709 1069835131 /nfs/dbraw/zinc/83/51/31/1069835131.db2.gz LWEZLELYEWSZIC-WFPUBZAHSA-N 0 1 589.489 6.614 50 0 KKAAMN COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccccc5)coc-4c32)cc1OCCc1ccc2c(c1)CCO2 ZINC000524732117 1069835893 /nfs/dbraw/zinc/83/58/93/1069835893.db2.gz YEMFGGFURHFNPF-XMMPIXPASA-N 0 1 576.601 6.172 50 0 KKAAMN C[C@H](c1cccs1)N(C)Cc1cc(-c2ncccn2)ccc1OCC(=O)Nc1ccc2c(c1)Nc1ccccc1CC2 ZINC000102678501 1069861988 /nfs/dbraw/zinc/86/19/88/1069861988.db2.gz OOIDGVKADDJTRP-HSZRJFAPSA-N 0 1 575.738 7.258 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)Nc3ccc4nc(C(C)C)[nH]c4c3)C(C)C)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409414583 1070928658 /nfs/dbraw/zinc/92/86/58/1070928658.db2.gz MYJVVGABLMPTSD-GOXGLGGOSA-N 0 1 641.769 5.938 50 0 KKAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000409414799 1070928700 /nfs/dbraw/zinc/92/87/00/1070928700.db2.gz ORCSDDXRZCRAIF-KNYDZBPLSA-N 0 1 627.742 5.513 50 0 KKAAMN CCOC(=O)c1c(NC=C2C(=O)N(c3ccccc3Cl)C(=O)c3ccccc32)sc2c1CCN(CC)C2 ZINC000103004173 1070968594 /nfs/dbraw/zinc/96/85/94/1070968594.db2.gz NNGPRFDQQSRHNR-HKWRFOASSA-N 0 1 536.053 5.596 50 0 KKAAMN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C=Cc2ccccc2)[C@@H]3c2cccnc2)cc1 ZINC000103972919 1070971209 /nfs/dbraw/zinc/97/12/09/1070971209.db2.gz CPPNKGWJPYMOPK-RCUBAKFLSA-N 0 1 511.625 7.654 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC=C2c3ccccc3C(=O)N(c3ccc(C)c(C)c3)C2=O)c1 ZINC000103004927 1070971389 /nfs/dbraw/zinc/97/13/89/1070971389.db2.gz NFNPBIHQZNKEJS-DIBXZPPDSA-N 0 1 553.640 5.753 50 0 KKAAMN Cc1cc(C)n(CC(=O)N2CCCC[C@H]2CCOc2cccc(CN3CCN(c4cccc(Cl)c4)CC3)c2)n1 ZINC000299787800 1071049339 /nfs/dbraw/zinc/04/93/39/1071049339.db2.gz QOEBJEPIHIIGQE-NDEPHWFRSA-N 0 1 550.147 5.326 50 0 KKAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c(CCc2c[nH]c3ccccc23)n1 ZINC000888089322 1071059950 /nfs/dbraw/zinc/05/99/50/1071059950.db2.gz VIWPEBMGGLTDAF-ZOWGTLOESA-N 0 1 707.832 5.713 50 0 KKAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(CCc2c[nH]c3ccccc23)n[nH]1 ZINC000888089322 1071059964 /nfs/dbraw/zinc/05/99/64/1071059964.db2.gz VIWPEBMGGLTDAF-ZOWGTLOESA-N 0 1 707.832 5.713 50 0 KKAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(-c2ccccc2OC)n[nH]1 ZINC000888089465 1071060632 /nfs/dbraw/zinc/06/06/32/1071060632.db2.gz FKNLUOXXSOTURF-BJADCWDSSA-N 0 1 670.767 5.122 50 0 KKAAMN Cc1oc(-c2cccc(C)c2)nc1CN1CCC(C(=O)N2CCC(Cc3nncn3Cc3ccccc3)CC2)CC1 ZINC000169780098 1071185803 /nfs/dbraw/zinc/18/58/03/1071185803.db2.gz LABMXBLCRXNEPC-UHFFFAOYSA-N 0 1 552.723 5.292 50 0 KKAAMN COc1ccc(C(O)=C2[C@@H](C(=O)c3ccccc3)N3c4ccc(Cl)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227022124 1071184891 /nfs/dbraw/zinc/18/48/91/1071184891.db2.gz NHINCRXLCFMLQI-WFPUBZAHSA-N 0 1 561.037 6.205 50 0 KKAAMN CCCCCc1ccc(C(O)=C2[C@@H](C(=O)c3cccs3)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227240605 1071184952 /nfs/dbraw/zinc/18/49/52/1071184952.db2.gz CMMYHEXUPJBYIO-JMNGKNCGSA-N 0 1 586.757 7.727 50 0 KKAAMN Cc1cc(C)n(Cc2ccc(C(=O)N3CCC(Oc4cccc(CN(C)Cc5ccsc5)c4)CC3)cc2)n1 ZINC000011868495 1071232873 /nfs/dbraw/zinc/23/28/73/1071232873.db2.gz CDIDJGURXYNDLY-UHFFFAOYSA-N 0 1 528.722 5.925 50 0 KKAAMN CN(Cc1ccsc1)Cc1cccc(OC2CCN(C(=O)c3ccc4[nH]c5c(c4c3)CCCC5)CC2)c1 ZINC000012218655 1071239446 /nfs/dbraw/zinc/23/94/46/1071239446.db2.gz IVVGRDWQXOUQDQ-UHFFFAOYSA-N 0 1 513.707 6.424 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@H]1N2[C@H](C(=O)c2cccs2)C(=C(O)c2ccccc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000604418828 1071274382 /nfs/dbraw/zinc/27/43/82/1071274382.db2.gz JLXABJXTIHIMBM-UUQNIDNHSA-N 0 1 565.094 6.956 50 0 KKAAMN CC(C)(C)c1ccc(-c2csc(N[P@@](=O)(/C=C(/Cl)c3ccccc3)/C=C(\Cl)c3ccccc3)n2)cc1 ZINC000003168414 1071317404 /nfs/dbraw/zinc/31/74/04/1071317404.db2.gz PYWKKFURWLAUGQ-BCRMPINCSA-N 0 1 553.495 10.272 50 0 KKAAMN COc1cc(/C=C\C(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc(OC)c1OC ZINC000103048799 1071328903 /nfs/dbraw/zinc/32/89/03/1071328903.db2.gz RGCKSRKMJVBXKD-XFFZJAGNSA-N 0 1 531.030 5.435 50 0 KKAAMN O=C1c2ccccc2/C(=C/N2CCN(C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccccc1Cl ZINC000097980972 1072838883 /nfs/dbraw/zinc/83/88/83/1072838883.db2.gz OMLIPFKRIKSNRX-NFFVHWSESA-N 0 1 534.059 6.275 50 0 KKAAMN CCC(N=Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000254624673 1072868175 /nfs/dbraw/zinc/86/81/75/1072868175.db2.gz PFKWNSUQVHYADF-UHFFFAOYSA-N 0 1 524.933 5.877 50 0 KKAAMN CCOc1ccc(N=C2SC(CC(=O)c3ccc(C)c(C)c3)C(=O)N2c2ccc(OCC)cc2)cc1 ZINC000254766104 1072878462 /nfs/dbraw/zinc/87/84/62/1072878462.db2.gz WFVKIHGXJLHZFK-HHHXNRCGSA-N 0 1 502.636 6.510 50 0 KKAAMN O=C1C(=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccc(Cl)cc2)c2ccccc2N1Cc1ccccc1 ZINC000254790949 1072879312 /nfs/dbraw/zinc/87/93/12/1072879312.db2.gz NSIPETBHHLOQGC-UHFFFAOYSA-N 0 1 562.007 5.412 50 0 KKAAMN CC(=O)Nc1ccccc1C(=O)Nc1ccc(-c2nc3ccc(NC(=O)c4ccccc4NC(C)=O)cc3[nH]2)cc1 ZINC000050862205 1072899284 /nfs/dbraw/zinc/89/92/84/1072899284.db2.gz NAYKDYMFMICHOF-UHFFFAOYSA-N 0 1 546.587 5.651 50 0 KKAAMN O=C1NC(=O)[C@@](CCc2ccccn2)(Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(Br)cc1 ZINC000001115169 132223840 /nfs/dbraw/zinc/22/38/40/132223840.db2.gz MEQXSWQKIFVZEC-XMMPIXPASA-N 0 1 547.236 5.596 50 0 KKAAMN O=C1NC(=O)[C@@](CCc2ccncc2)(Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(Br)cc1 ZINC000001129272 132223849 /nfs/dbraw/zinc/22/38/49/132223849.db2.gz SMSOKPXVDHTHHH-XMMPIXPASA-N 0 1 547.236 5.596 50 0 aggregator KKAAMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Br)cc3)ccc2Br)cc1 ZINC000000888050 551561098 /nfs/dbraw/zinc/56/10/98/551561098.db2.gz DNIOGKWVYZFGLT-UHFFFAOYSA-N 0 1 524.234 5.573 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2cnn3c2N[C@H](c2ccccc2)C[C@@H]3C(F)F)cc1 ZINC000000900558 551564678 /nfs/dbraw/zinc/56/46/78/551564678.db2.gz ZSXQOVFKYKTBRY-XZOQPEGZSA-N 0 1 553.591 5.308 50 0 KKAAMN O=S(=O)(CCSc1ccccc1NS(=O)(=O)c1ccccc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000001037575 551598752 /nfs/dbraw/zinc/59/87/52/551598752.db2.gz URNBKKSDXBMURP-UHFFFAOYSA-N 0 1 536.018 5.726 50 0 KKAAMN COc1ccc(Br)c(-c2nnc(-c3ccccc3NS(=O)(=O)c3ccc(C)cc3)o2)c1 ZINC000001044612 551599186 /nfs/dbraw/zinc/59/91/86/551599186.db2.gz JVYLDZRHLBWMGO-UHFFFAOYSA-N 0 1 500.374 5.284 50 0 KKAAMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)ccc1Cl ZINC000001078567 551605591 /nfs/dbraw/zinc/60/55/91/551605591.db2.gz LXSJTAVDTAVZGW-UHFFFAOYSA-N 0 1 518.466 5.373 50 0 KKAAMN CCOC(=O)c1cnc(SC)nc1Oc1cccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1 ZINC000001394777 551660978 /nfs/dbraw/zinc/66/09/78/551660978.db2.gz JSNUKWHXVZPUNG-UHFFFAOYSA-N 0 1 514.412 5.275 50 0 KKAAMN CCOc1cc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000001853794 551715997 /nfs/dbraw/zinc/71/59/97/551715997.db2.gz KDWRELCAWIZHRN-OCBJUFRSSA-N 0 1 555.030 6.369 50 0 KKAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 ZINC000002642940 552143520 /nfs/dbraw/zinc/14/35/20/552143520.db2.gz RBTNDPLFCYBTPZ-UUILKARUSA-N 0 1 545.411 5.029 50 0 KKAAMN CCN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(COc4c(Cl)cc(Cl)cc4Cl)o2)N3)C1 ZINC000002735936 552169922 /nfs/dbraw/zinc/16/99/22/552169922.db2.gz JHQUZZVMMXLZMZ-HXUWFJFHSA-N 0 1 512.846 6.112 50 0 KKAAMN CCN1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC)c(COc4ccc(F)c(Cl)c4)c2)N3)C1 ZINC000002738032 552170702 /nfs/dbraw/zinc/17/07/02/552170702.db2.gz GWJJRIWGFBLDAF-QHCPKHFHSA-N 0 1 502.011 5.360 50 0 KKAAMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)NCc3ccco3)ccc2Cl)c(C)c1 ZINC000002882249 552208744 /nfs/dbraw/zinc/20/87/44/552208744.db2.gz OWMSPZIVEZSVAX-UHFFFAOYSA-N 0 1 538.025 5.533 50 0 KKAAMN C[C@@H](NC(=S)Oc1cccc(C(=O)Nc2ccc(I)cc2)c1)c1ccccc1 ZINC000003088279 552286315 /nfs/dbraw/zinc/28/63/15/552286315.db2.gz SJORJUQUKNYLDO-OAHLLOKOSA-N 0 1 502.377 5.558 50 0 KKAAMN Cc1nn(-c2ccccc2)c(Sc2nc3ccccc3s2)c1[C@H]1NC(=N)Nc2nc3ccccc3n21 ZINC000003164334 552297975 /nfs/dbraw/zinc/29/79/75/552297975.db2.gz UPVFMIONNDMPRW-QFIPXVFZSA-N 0 1 508.636 5.388 50 0 KKAAMN O=C(c1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(Cl)cc1Cl)N1CCN(c2ccccc2)CC1 ZINC000003215351 552306856 /nfs/dbraw/zinc/30/68/56/552306856.db2.gz ZAVVBQYGAGZXBJ-UHFFFAOYSA-N 0 1 524.857 5.410 50 0 KKAAMN Cc1ccc(NC(=O)c2ccccc2Oc2ccccc2)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 ZINC000003235236 552316558 /nfs/dbraw/zinc/31/65/58/552316558.db2.gz PHLRRBLXBAUPNG-UHFFFAOYSA-N 0 1 537.435 6.603 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)c(OC)c1 ZINC000003237303 552317240 /nfs/dbraw/zinc/31/72/40/552317240.db2.gz ZAJAJAAMFFMXNH-UHFFFAOYSA-N 0 1 504.564 5.549 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1ccc2oc(SCc3c(C)cc(C(C)(C)C)cc3C)nc2c1 ZINC000003240302 552318323 /nfs/dbraw/zinc/31/83/23/552318323.db2.gz HDYQYCCQCSQIEQ-UHFFFAOYSA-N 0 1 510.681 6.844 50 0 KKAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=S)NC2CCCCC2)cc1 ZINC000003254294 552323761 /nfs/dbraw/zinc/32/37/61/552323761.db2.gz SUYWPEYFQZZCJR-UHFFFAOYSA-N 0 1 512.495 5.268 50 0 KKAAMN COc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)c3ccccc3n2)cc1OC ZINC000003262483 552327018 /nfs/dbraw/zinc/32/70/18/552327018.db2.gz NQXFEOGDGHVPKM-UHFFFAOYSA-N 0 1 569.643 5.379 50 0 KKAAMN CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(Cl)c(S(=O)(=O)Nc4ccc(Cl)cc4)c3)sc2c1 ZINC000003264301 552327831 /nfs/dbraw/zinc/32/78/31/552327831.db2.gz MKMGNSBBLHGHLB-UHFFFAOYSA-N 0 1 556.474 5.060 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1ccc2oc(SCC(=O)Nc3ncc(Cl)cc3Cl)nc2c1 ZINC000003268683 552331041 /nfs/dbraw/zinc/33/10/41/552331041.db2.gz WZZJDYNFDNPNTL-UHFFFAOYSA-N 0 1 539.422 5.070 50 0 KKAAMN COc1ccc(NC(=S)NC(=O)c2cccc(F)c2)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000003305460 552348645 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/nfs/dbraw/zinc/47/84/91/552478491.db2.gz ARKGPKYZEJDRCS-WJOKGBTCSA-N 0 1 615.800 5.027 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCCN2CCN(c3ccccc3)CC2)cc1 ZINC000004762100 552478888 /nfs/dbraw/zinc/47/88/88/552478888.db2.gz PXFCWXFQDMWEQR-HKBQPEDESA-N 0 1 599.801 5.327 50 0 KKAAMN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCCN2CCN(c3ccccc3)CC2)cc1 ZINC000004762145 552478935 /nfs/dbraw/zinc/47/89/35/552478935.db2.gz NKXLBZYMLIXWKW-LJAQVGFWSA-N 0 1 634.202 5.060 50 0 KKAAMN Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000006016918 552519980 /nfs/dbraw/zinc/51/99/80/552519980.db2.gz CZXNCDNJBVBOJX-UHFFFAOYSA-N 0 1 500.555 5.731 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ccc(Cl)cc3Cl)C2=O)c1 ZINC000006101487 552534383 /nfs/dbraw/zinc/53/43/83/552534383.db2.gz KHSMGPZUFORPIF-HAVVHWLPSA-N 0 1 594.476 6.443 50 0 KKAAMN COc1ccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000006144293 552546176 /nfs/dbraw/zinc/54/61/76/552546176.db2.gz RYTNFBDFVQWCGN-YCRREMRBSA-N 0 1 521.378 5.183 50 0 KKAAMN COc1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3NS(=O)(=O)c3c(C)c(C)cc(C)c3C)cc2)cc1 ZINC000006146590 552548303 /nfs/dbraw/zinc/54/83/03/552548303.db2.gz JSXDPELQMZBRHP-UHFFFAOYSA-N 0 1 557.672 6.234 50 0 KKAAMN COc1ccc(S(=O)(=O)c2ccccc2)cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1C ZINC000006146631 552548310 /nfs/dbraw/zinc/54/83/10/552548310.db2.gz MMSSHTZTWOFHPR-UHFFFAOYSA-N 0 1 554.621 5.029 50 0 KKAAMN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000006146960 552548624 /nfs/dbraw/zinc/54/86/24/552548624.db2.gz WFTAEVFUFKQMAF-UHFFFAOYSA-N 0 1 500.201 5.809 50 0 KKAAMN O=C(Nc1ccccc1Br)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000006147011 552548757 /nfs/dbraw/zinc/54/87/57/552548757.db2.gz VQCWKJHHBUODAF-UHFFFAOYSA-N 0 1 510.207 5.265 50 0 KKAAMN O=C(Nc1nc(-c2ccccc2)cs1)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000006147250 552548774 /nfs/dbraw/zinc/54/87/74/552548774.db2.gz HMKGIXNURRAQFC-UHFFFAOYSA-N 0 1 503.527 5.882 50 0 KKAAMN CCCN(CCC)Cc1c(OC(=O)c2ccc(OCC)cc2)ccc2c(=O)c(Oc3ccc(Cl)c(C)c3)c(C(F)(F)F)oc21 ZINC000006166928 552557790 /nfs/dbraw/zinc/55/77/90/552557790.db2.gz MJLBQJYKXRXYGT-UHFFFAOYSA-N 0 1 632.075 8.806 50 0 KKAAMN CCN(C(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1)c1cccc2ccccc21 ZINC000006176763 552559283 /nfs/dbraw/zinc/55/92/83/552559283.db2.gz WTTKJIKOGGLUGE-UHFFFAOYSA-N 0 1 509.425 6.070 50 0 KKAAMN COc1ccc(NC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)cc1NS(=O)(=O)c1ccc(F)cc1 ZINC000006260434 552575494 /nfs/dbraw/zinc/57/54/94/552575494.db2.gz MMXADKSLLUTZDV-ISLYRVAYSA-N 0 1 581.647 5.300 50 0 KKAAMN COc1cccc(NC=C2c3ccccc3C(=O)N(c3cccc(S(=O)(=O)Nc4ccccc4OC)c3)C2=O)c1 ZINC000006304777 552580830 /nfs/dbraw/zinc/58/08/30/552580830.db2.gz FTRVQAIDUHXKAT-LGUFXXKBSA-N 0 1 555.612 5.145 50 0 KKAAMN c1ccc(-c2nc(-c3ccc4oc5ccc(-c6[nH]c(-c7ccccc7)nc6-c6ccccc6)cc5c4c3)c(-c3ccccc3)[nH]2)cc1 ZINC000006446770 552589530 /nfs/dbraw/zinc/58/95/30/552589530.db2.gz IAPASGZXLYTYJN-UHFFFAOYSA-N 0 1 604.713 11.034 50 0 KKAAMN c1ccc(-c2nc(-c3ccc4oc5ccc(-c6nc(-c7ccccc7)[nH]c6-c6ccccc6)cc5c4c3)c(-c3ccccc3)[nH]2)cc1 ZINC000006446770 552589533 /nfs/dbraw/zinc/58/95/33/552589533.db2.gz IAPASGZXLYTYJN-UHFFFAOYSA-N 0 1 604.713 11.034 50 0 KKAAMN COc1ccc([C@@H]2CC(c3c(O)ccc4c(C)cc(=O)oc43)=Nc3ccc(Cl)cc3S2)cc1OC ZINC000008411559 553009639 /nfs/dbraw/zinc/00/96/39/553009639.db2.gz KJSKTYLHTAIMRF-QHCPKHFHSA-N 0 1 507.995 6.836 50 0 KKAAMN CC[C@H]1N[C@@]2(c3ccccc3N(Cc3cccc4ccccc43)C2=O)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 ZINC000008439474 553035739 /nfs/dbraw/zinc/03/57/39/553035739.db2.gz ZRZZJVAOTLZBAC-MKANCYJNSA-N 0 1 536.031 5.423 50 0 KKAAMN O=c1/c(=C\c2cc(Cl)cc(Cl)c2O)sc2n1[C@@H](c1ccc(Cl)cc1Cl)C1=C(N=2)c2ccccc2CC1 ZINC000008441891 553042695 /nfs/dbraw/zinc/04/26/95/553042695.db2.gz JNLPMLOGDRHXTE-OFRYAGADSA-N 0 1 574.316 6.638 50 0 KKAAMN Cc1nn(Cc2ccc(Br)cc2)c(C)c1N(C(=S)Nc1cc(C)ccc1C)[C@@H]1CC(=O)N(c2cccc3ccccc32)C1=O ZINC000008450847 553059517 /nfs/dbraw/zinc/05/95/17/553059517.db2.gz DCVPWYOMEIJEQP-WJOKGBTCSA-N 0 1 666.645 7.616 50 0 KKAAMN Cc1nn(Cc2ccc(Br)cc2)c(C)c1N(C(=S)Nc1cc(C)ccc1C)C1CC(=O)N(c2cccc3ccccc32)C1=O ZINC000008450847 553059519 /nfs/dbraw/zinc/05/95/19/553059519.db2.gz DCVPWYOMEIJEQP-WJOKGBTCSA-N 0 1 666.645 7.616 50 0 KKAAMN Oc1c(I)cc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4Cl)nc3O2)cc1I ZINC000008452787 553064383 /nfs/dbraw/zinc/06/43/83/553064383.db2.gz HJQCXTPTASECKN-OAQYLSRUSA-N 0 1 700.727 6.902 50 0 KKAAMN Oc1c(I)cc([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4Cl)nc3O2)cc1I ZINC000008452786 553064444 /nfs/dbraw/zinc/06/44/44/553064444.db2.gz HJQCXTPTASECKN-NRFANRHFSA-N 0 1 700.727 6.902 50 0 KKAAMN CCCCOc1ccc(N2C(=O)C[C@H](N(C(=O)Nc3cccc(Cl)c3)c3cnn(Cc4ccc(F)cc4)c3)C2=O)cc1 ZINC000008454534 553069196 /nfs/dbraw/zinc/06/91/96/553069196.db2.gz MVCPHMMLGTYZEP-NDEPHWFRSA-N 0 1 590.055 6.273 50 0 KKAAMN CCCCOc1ccc(N2C(=O)CC(N(C(=O)Nc3cccc(Cl)c3)c3cnn(Cc4ccc(F)cc4)c3)C2=O)cc1 ZINC000008454534 553069199 /nfs/dbraw/zinc/06/91/99/553069199.db2.gz MVCPHMMLGTYZEP-NDEPHWFRSA-N 0 1 590.055 6.273 50 0 KKAAMN Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)CC1 ZINC000008597489 553093061 /nfs/dbraw/zinc/09/30/61/553093061.db2.gz IVQNUMMPYCKMIK-UHFFFAOYSA-N 0 1 527.496 5.826 50 0 KKAAMN CCCCSCCCNC(=O)C1CCN(Cc2nc(-c3cccc(Br)c3)oc2C)CC1 ZINC000008597603 553093602 /nfs/dbraw/zinc/09/36/02/553093602.db2.gz IDZNSDVSSPKPGN-UHFFFAOYSA-N 0 1 508.526 5.664 50 0 KKAAMN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC[C@@H](C(=O)N2CCN(c3cc(C)ccc3C)CC2)C1 ZINC000008597807 553094031 /nfs/dbraw/zinc/09/40/31/553094031.db2.gz ZXPOFMKVXXTLDN-XMMPIXPASA-N 0 1 507.078 5.481 50 0 KKAAMN O=C1NC(=O)[C@]2(Cc3ccccc3N3CC[C@@H](c4ccccc4)C[C@H]32)C(=O)N1c1cc(Cl)ccc1Cl ZINC000008694609 553119965 /nfs/dbraw/zinc/11/99/65/553119965.db2.gz FURJAQYMVOUBPA-RLDDGWBFSA-N 0 1 520.416 5.572 50 0 KKAAMN COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2OC32CCN(Cc3ccccc3)CC2)cc1 ZINC000008717728 553129145 /nfs/dbraw/zinc/12/91/45/553129145.db2.gz YWMOMAQSONHXLU-AREMUKBSSA-N 0 1 518.455 5.994 50 0 KKAAMN Cc1ccc(/C=C2\SC(=O)N(CCN(C)CCN3C(=O)S/C(=C\c4ccccc4)C3=O)C2=O)c(C)c1 ZINC000008766746 553139073 /nfs/dbraw/zinc/13/90/73/553139073.db2.gz OLGZGQCNJUIUFY-IDUDEYGOSA-N 0 1 521.664 5.008 50 0 KKAAMN CCOc1ccc(C[C@H]2c3cc(OCC)c(OCC)cc3CCN2C(=O)CN2CCCCC2)cc1OCC ZINC000008836993 553163466 /nfs/dbraw/zinc/16/34/66/553163466.db2.gz YRCVVYVOYFBEST-SANMLTNESA-N 0 1 524.702 5.436 50 0 biogenic KKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(Cl)c(C)cc4O)c3[C@H]2c2ccc(F)cc2)cc1OC ZINC000008845453 553165467 /nfs/dbraw/zinc/16/54/67/553165467.db2.gz SLOWVUSXRSLAOF-HHHXNRCGSA-N 0 1 521.976 5.688 50 0 KKAAMN CCOc1ccc([C@@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000008845240 553165483 /nfs/dbraw/zinc/16/54/83/553165483.db2.gz CVVLYCVYPJCGJT-GDLZYMKVSA-N 0 1 527.621 5.603 50 0 KKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(Cl)c(C)cc4O)c3[C@H]2c2ccccc2)cc1OC ZINC000008845389 553165532 /nfs/dbraw/zinc/16/55/32/553165532.db2.gz JAYIWMYVKQIANP-HHHXNRCGSA-N 0 1 503.986 5.549 50 0 KKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(Cl)c(C)cc4O)c3[C@@H]2c2cccc(Cl)c2)cc1 ZINC000008845392 553165559 /nfs/dbraw/zinc/16/55/59/553165559.db2.gz GSGQJNGTAQIKMD-SANMLTNESA-N 0 1 508.405 6.194 50 0 KKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(Cl)c(C)cc4O)c3[C@@H]2c2ccccc2)cc1OC ZINC000008845390 553165653 /nfs/dbraw/zinc/16/56/53/553165653.db2.gz JAYIWMYVKQIANP-MHZLTWQESA-N 0 1 503.986 5.549 50 0 KKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(C)cc(C)c4O)c3[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 ZINC000008845518 553165700 /nfs/dbraw/zinc/16/57/00/553165700.db2.gz CTRBLJRJHFPTQN-LJAQVGFWSA-N 0 1 509.650 6.493 50 0 KKAAMN CC(C)CCOc1cccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccc3c(c2)OCO3)c1 ZINC000008845505 553165709 /nfs/dbraw/zinc/16/57/09/553165709.db2.gz RLBNSANVVKUPHA-GDLZYMKVSA-N 0 1 511.578 5.681 50 0 KKAAMN CCCCCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc3ccccc3c1)c1ccccc21 ZINC000008974106 553195731 /nfs/dbraw/zinc/19/57/31/553195731.db2.gz ZNKHUAPVEQWMPY-UHFFFAOYSA-N 0 1 501.604 7.195 50 0 KKAAMN COc1cccc2c1OC1(CCN(Cc3ccccc3)CC1)N1N=C(c3ccc(Cl)c(Cl)c3)C[C@H]21 ZINC000009019613 553201001 /nfs/dbraw/zinc/20/10/01/553201001.db2.gz YQRKNHWYWWWCKL-RUZDIDTESA-N 0 1 508.449 6.538 50 0 KKAAMN COc1cccc2c1OC1(CCN(Cc3ccccc3)CC1)N1N=C(c3ccc(Cl)c(Cl)c3)C[C@@H]21 ZINC000009046245 553203722 /nfs/dbraw/zinc/20/37/22/553203722.db2.gz YQRKNHWYWWWCKL-VWLOTQADSA-N 0 1 508.449 6.538 50 0 KKAAMN Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)NCC3CCN(Cc4cccc(Cl)c4)CC3)c12 ZINC000009116985 553211895 /nfs/dbraw/zinc/21/18/95/553211895.db2.gz TWDLWRTYIZPINK-UHFFFAOYSA-N 0 1 502.062 5.641 50 0 KKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(Cl)c(C)cc4O)c3[C@@H]2c2cccc(OC)c2)cc1 ZINC000009124675 553213016 /nfs/dbraw/zinc/21/30/16/553213016.db2.gz HPYVZEFKQYKPIK-MHZLTWQESA-N 0 1 503.986 5.549 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccccc5O)nc4c32)cc1 ZINC000009158504 553215148 /nfs/dbraw/zinc/21/51/48/553215148.db2.gz TVNWOWGIZHHVDY-DEOSSOPVSA-N 0 1 502.534 5.286 50 0 KKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(Cl)c(C)cc4O)c3[C@H]2c2cccc(O)c2)cc1OC ZINC000009242784 553226591 /nfs/dbraw/zinc/22/65/91/553226591.db2.gz JHZGQGXMCPKTJV-HHHXNRCGSA-N 0 1 519.985 5.255 50 0 KKAAMN Cc1cc(C)c(O)c(-c2[nH]nc3c2[C@H](c2cccc(Oc4ccccc4)c2)N(Cc2cccnc2)C3=O)c1 ZINC000009242736 553226600 /nfs/dbraw/zinc/22/66/00/553226600.db2.gz JAYVZBRPEGHZDR-LJAQVGFWSA-N 0 1 502.574 6.332 50 0 KKAAMN CCOc1cccc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCc2ccc(OC)cc2)c1 ZINC000009243574 553226843 /nfs/dbraw/zinc/22/68/43/553226843.db2.gz CPPMYCGSZSFWCC-NDEPHWFRSA-N 0 1 518.013 5.939 50 0 KKAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 ZINC000009354781 553246258 /nfs/dbraw/zinc/24/62/58/553246258.db2.gz MMXHJKKSNPQOSA-UHFFFAOYSA-N 0 1 513.644 6.633 50 0 KKAAMN c1ccc(CN2CCC3(CC2)Oc2ccccc2[C@@H]2CC(c4ccc(Sc5ccccc5)cc4)=NN23)cc1 ZINC000009358168 553247523 /nfs/dbraw/zinc/24/75/23/553247523.db2.gz YVALUFAEOYAGQI-HKBQPEDESA-N 0 1 517.698 7.374 50 0 KKAAMN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccc2N2CCN(C)CC2)[C@H]1c1cccs1 ZINC000009407159 553256855 /nfs/dbraw/zinc/25/68/55/553256855.db2.gz JFCRYKAWSJNCRD-KAYWLYCHSA-N 0 1 502.684 5.075 50 0 KKAAMN CCCCN(CCNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1)Cc1ccco1 ZINC000009433329 553263151 /nfs/dbraw/zinc/26/31/51/553263151.db2.gz ALWRIKVPWYIDRQ-KAYWLYCHSA-N 0 1 507.700 5.696 50 0 KKAAMN CC(C)(C)C(=O)[C@@H]1C(=C(O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000009463574 553269189 /nfs/dbraw/zinc/26/91/89/553269189.db2.gz HWVSCFRMVDRTPK-SQRAXXTESA-N 0 1 511.021 5.928 50 0 KKAAMN O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccc(Cl)cc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000009490731 553274057 /nfs/dbraw/zinc/27/40/57/553274057.db2.gz ZPDKNXWVQONSJB-UHFFFAOYSA-N 0 1 503.971 5.285 50 0 KKAAMN COc1ccc(-c2nc(SCC(=O)Nc3ccc4c(c3)OCO4)c(-c3ccc(C)cc3)[nH]2)cc1OC ZINC000009512822 553276364 /nfs/dbraw/zinc/27/63/64/553276364.db2.gz BFRAPIBUWYWKNK-UHFFFAOYSA-N 0 1 503.580 5.529 50 0 KKAAMN COc1ccc(Br)cc1[C@@H]1C(C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)=C(C)Nc2ncnn21 ZINC000009942093 553319694 /nfs/dbraw/zinc/31/96/94/553319694.db2.gz RGEHWBRWIPURQI-WJUSGVQTSA-N 0 1 503.441 5.342 50 0 KKAAMN COc1ccc(Br)cc1[C@@H]1C(C(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)=C(C)Nc2ncnn21 ZINC000009942097 553319729 /nfs/dbraw/zinc/31/97/29/553319729.db2.gz RGEHWBRWIPURQI-XOLWZIEUSA-N 0 1 503.441 5.342 50 0 KKAAMN CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)CC1 ZINC000010059897 553327497 /nfs/dbraw/zinc/32/74/97/553327497.db2.gz XUFSHIPKDZUZAN-UHFFFAOYSA-N 0 1 502.398 5.434 50 0 KKAAMN COc1ccc(S[C@@H]2C[C@@H](C(=O)NCc3cn4ccccc4n3)N(Cc3ccc4ccccc4c3)C2)cc1 ZINC000011784539 553342710 /nfs/dbraw/zinc/34/27/10/553342710.db2.gz IHLPWWOJITUIAO-WDYNHAJCSA-N 0 1 522.674 5.548 50 0 KKAAMN COc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(O)c(OC)c2)N(CCc2c[nH]c4ccc(OC)cc24)C3=O)cc1 ZINC000012323875 553358311 /nfs/dbraw/zinc/35/83/11/553358311.db2.gz CDXBLKAUJUIPCR-GDLZYMKVSA-N 0 1 524.577 5.077 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cc(-c3ccco3)nc3ccccc32)ccc1C ZINC000012570271 553398301 /nfs/dbraw/zinc/39/83/01/553398301.db2.gz PBTKXWRAUXLGHL-UHFFFAOYSA-N 0 1 513.575 5.865 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000012661073 553412106 /nfs/dbraw/zinc/41/21/06/553412106.db2.gz HBKUOMQJYJMGQW-UHFFFAOYSA-N 0 1 503.001 5.103 50 0 KKAAMN COc1cc2nc(SCc3ccc(Cl)c(Cl)c3)n3c(CC4CCCCC4)c(O)nc3c2cc1OC ZINC000012951479 553428514 /nfs/dbraw/zinc/42/85/14/553428514.db2.gz CCVSLDOAIKXZFA-OAQYLSRUSA-N 0 1 532.493 6.873 50 0 KKAAMN COc1cc2nc(SCc3cc(Cl)ccc3Cl)n3c(CC4CCCCC4)c(O)nc3c2cc1OC ZINC000012951464 553428602 /nfs/dbraw/zinc/42/86/02/553428602.db2.gz GFAVGPUBVOWEEH-NRFANRHFSA-N 0 1 532.493 6.873 50 0 KKAAMN COc1cc2nc(SCc3ccc(Cl)cc3Cl)n3c(CC4CCCCC4)c(O)nc3c2cc1OC ZINC000012951494 553428605 /nfs/dbraw/zinc/42/86/05/553428605.db2.gz NKGFMGQFEWVSMK-NRFANRHFSA-N 0 1 532.493 6.873 50 0 KKAAMN COc1ccccc1C1c2c(C)nn(-c3ccccc3)c2Oc2ncn3nc(Cc4ccccc4)nc3c21 ZINC000013555591 553471153 /nfs/dbraw/zinc/47/11/53/553471153.db2.gz AHHYEVLKIAZESB-SANMLTNESA-N 0 1 500.562 5.504 50 0 KKAAMN COc1cc(OC)c(-c2nc(-c3ccc(C(=O)c4ccc(F)cc4)cc3)c(-c3ccccc3)[nH]2)cc1OC ZINC000013800103 553491211 /nfs/dbraw/zinc/49/12/11/553491211.db2.gz HNAHPJXFPAFBOY-UHFFFAOYSA-N 0 1 508.549 6.807 50 0 KKAAMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Sc3ccc(Cl)cc3)cc2)c1 ZINC000014186163 553506109 /nfs/dbraw/zinc/50/61/09/553506109.db2.gz LJHPEEGJEJFFBZ-HNNXBMFYSA-N 0 1 507.033 5.277 50 0 KKAAMN CSc1ccc2cc(CN[C@@H](c3ccccc3)c3ccc(Cl)cc3)c(=O)n(Cc3ccccn3)c2c1 ZINC000014998677 553524620 /nfs/dbraw/zinc/52/46/20/553524620.db2.gz RPZFYAYBFCISBA-LJAQVGFWSA-N 0 1 512.078 6.699 50 0 KKAAMN COc1ccc(NC(=O)c2c(NC(=O)CNCc3ccccc3)sc3c2CC[C@H](C(C)(C)C)C3)cc1 ZINC000015946553 553544636 /nfs/dbraw/zinc/54/46/36/553544636.db2.gz NRAFOCOAXKZXKP-FQEVSTJZSA-N 0 1 505.684 5.888 50 0 KKAAMN CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)ccc1OC(=O)c1ccc(C)cc1 ZINC000015947042 553545058 /nfs/dbraw/zinc/54/50/58/553545058.db2.gz KTCWACBAAIPOFX-RUZDIDTESA-N 0 1 505.640 5.870 50 0 KKAAMN CCN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4cccc5ccccc54)c(OC)c2)N3)C1 ZINC000015947153 553545188 /nfs/dbraw/zinc/54/51/88/553545188.db2.gz HGTFWVYNDIUXQM-AREMUKBSSA-N 0 1 513.619 5.936 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000015989473 553549256 /nfs/dbraw/zinc/54/92/56/553549256.db2.gz DVTBURAJNPLUJK-JDONGJSOSA-N 0 1 520.629 5.674 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2[C@H](C(C)=O)N3c4ccc5ccccc5c4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000015999292 553549710 /nfs/dbraw/zinc/54/97/10/553549710.db2.gz PVSVFJJTMSKTFU-RFGOCLGJSA-N 0 1 514.581 5.411 50 0 KKAAMN O=C(c1ccco1)C1[C@@H](C(=O)c2ccccc2Cl)N2c3ccccc3C=C[C@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000016001243 553549884 /nfs/dbraw/zinc/54/98/84/553549884.db2.gz QOMVAARPVKCEBK-OVDFTCDZSA-N 0 1 520.972 5.789 50 0 KKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(Cl)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3c4ccccc4ccc3N12 ZINC000016001859 553550125 /nfs/dbraw/zinc/55/01/25/553550125.db2.gz NGUMLAHLDICPQS-FQNXFSSYSA-N 0 1 519.000 6.055 50 0 KKAAMN CC(=O)[C@@H]1[C@H](C(=O)c2ccc(CC(C)C)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(F)ccc3N21 ZINC000016007570 553550283 /nfs/dbraw/zinc/55/02/83/553550283.db2.gz GLZOPFJFOAVXLU-FQNXFSSYSA-N 0 1 508.593 5.586 50 0 KKAAMN COc1ccc([C@@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccccc2)cc1Br ZINC000018045889 553602003 /nfs/dbraw/zinc/60/20/03/553602003.db2.gz TWXMRUSISZIMHZ-BDTNDASRSA-N 0 1 513.775 5.162 50 0 KKAAMN CCOc1ccc2nc(SCC(=O)Nc3cccc(NC(=O)C45CC6CC(CC(C6)C4)C5)c3)[nH]c2c1 ZINC000020177635 553602827 /nfs/dbraw/zinc/60/28/27/553602827.db2.gz ZVNAHTPBSYRBBW-UHFFFAOYSA-N 0 1 504.656 5.847 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccc4c(c3)OCO4)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N32)c1 ZINC000070687258 553606353 /nfs/dbraw/zinc/60/63/53/553606353.db2.gz QYHDOVMMBAAWSD-ZXFZPVEDSA-N 0 1 570.601 5.280 50 0 biogenic KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3cccc(OC)c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4cc(C)ccc4N32)c1 ZINC000070687660 553607328 /nfs/dbraw/zinc/60/73/28/553607328.db2.gz KEORPAHOPHBSOM-JMNGKNCGSA-N 0 1 584.672 6.258 50 0 biogenic KKAAMN Cc1cc(C)c(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2O)c(Cc2cccc(-c3ccccc3)c2)c1 ZINC000018194785 553608313 /nfs/dbraw/zinc/60/83/13/553608313.db2.gz UTEZFJZWPCAPJO-UHFFFAOYSA-N 0 1 511.470 7.548 50 0 KKAAMN CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(c4ccc(C)c(C)c4NC3=O)[C@]23c2ccccc2NC3=O)c1 ZINC000070699689 553616926 /nfs/dbraw/zinc/61/69/26/553616926.db2.gz CSMOWFKYSNVKIM-MRPYTORDSA-N 0 1 535.644 5.107 50 0 biogenic KKAAMN COc1cc(C(O)=C2[C@@H](C(=O)c3ccccc3)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000070700685 553619165 /nfs/dbraw/zinc/61/91/65/553619165.db2.gz MQFQLGBFYQPCTR-NDTOYMFRSA-N 0 1 614.698 6.267 50 0 biogenic KKAAMN Cc1cc2c(c(C)c1)NC(=O)[C@]21N2CCC[C@H]2[C@@H](C(=O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000070704878 553624017 /nfs/dbraw/zinc/62/40/17/553624017.db2.gz JLEJNNHBBFNPSP-BAAZAXTHSA-N 0 1 556.460 5.081 50 0 biogenic KKAAMN C[C@@H](NC(=O)CCCn1c(=O)c2cc(Br)ccc2[nH]c1=S)C12CC3CC(CC(C3)C1)C2 ZINC000020644191 553684049 /nfs/dbraw/zinc/68/40/49/553684049.db2.gz VZNRKMJQJWEBRG-ZJRYTYELSA-N 0 1 504.494 5.323 50 0 KKAAMN CCn1c2ccccc2c2cc(NC(=O)CN3CCN(C4c5ccccc5-c5ccccc54)CC3)ccc21 ZINC000020766658 553697532 /nfs/dbraw/zinc/69/75/32/553697532.db2.gz RKEBNZHABBIUCH-UHFFFAOYSA-N 0 1 500.646 6.141 50 0 KKAAMN Cc1ccc2nc(-c3ccc(NC(=O)CN4CCN(C5c6ccccc6-c6ccccc65)CC4)cc3)sc2c1 ZINC000022033716 553723209 /nfs/dbraw/zinc/72/32/09/553723209.db2.gz BWVYDOSIVYEUDE-UHFFFAOYSA-N 0 1 530.697 6.598 50 0 KKAAMN S=c1n(CN2CCN(Cc3ccccc3)CC2)nc(-c2sc3ccccc3c2Cl)n1-c1ccccc1 ZINC000022036783 553723336 /nfs/dbraw/zinc/72/33/36/553723336.db2.gz DIAZRQPDDHOXSX-UHFFFAOYSA-N 0 1 532.138 6.714 50 0 KKAAMN Cc1ccc2c(c1)[C@]1(C(=O)N2)N2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000096298529 553748486 /nfs/dbraw/zinc/74/84/86/553748486.db2.gz LMNHSJQJTVBJIC-LNXLNJASSA-N 0 1 513.597 5.163 50 0 KKAAMN COc1cccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000022784281 553749850 /nfs/dbraw/zinc/74/98/50/553749850.db2.gz FLICUAYOJLBQRD-MHZLTWQESA-N 0 1 525.678 5.310 50 0 KKAAMN Cc1nc2sc([C@H](c3ccc(C(C)C)cc3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c([O-])n2n1 ZINC000022852775 553761469 /nfs/dbraw/zinc/76/14/69/553761469.db2.gz FBQOGPALLNJEMR-LJAQVGFWSA-N 0 1 537.733 6.425 50 0 KKAAMN CCOC(=O)c1c(C2CC2)csc1NC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000022939638 553768507 /nfs/dbraw/zinc/76/85/07/553768507.db2.gz GCCXYZGDCCRVTK-UHFFFAOYSA-N 0 1 503.668 5.148 50 0 KKAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cc(Br)ccc2Cl)c1 ZINC000097948201 553792008 /nfs/dbraw/zinc/79/20/08/553792008.db2.gz OFECKPXXQXNJLL-UHFFFAOYSA-N 0 1 556.888 5.854 50 0 KKAAMN O=C(N[C@H]1CCC[C@@H]1OCc1ccccc1)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)cc1 ZINC000025144928 553794747 /nfs/dbraw/zinc/79/47/47/553794747.db2.gz VEZRNCAIYQXCLG-IGKIAQTJSA-N 0 1 505.540 6.630 50 0 KKAAMN Cc1ccccc1-c1cc(C(=O)NCCCN2CCN(CCCNC(=O)c3cc(-c4ccccc4C)nc4ccccc43)CC2)c2ccccc2n1 ZINC000097949254 553800866 /nfs/dbraw/zinc/80/08/66/553800866.db2.gz DTXUFKMQCWBZOR-UHFFFAOYSA-N 0 1 690.892 7.291 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(Cc5ccccc5)nc4c32)cc1OC ZINC000097954448 553823165 /nfs/dbraw/zinc/82/31/65/553823165.db2.gz HYVRWFBDEGQPKX-HHHXNRCGSA-N 0 1 530.588 5.512 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccccc5C)nc4c32)cc1OC ZINC000097954465 553823529 /nfs/dbraw/zinc/82/35/29/553823529.db2.gz MHBUQGCINNEXBI-AREMUKBSSA-N 0 1 530.588 5.897 50 0 KKAAMN Cc1cccc(-n2[nH]c(Cc3ccccc3C)c(C=C3NC(=O)N(Cc4ccc(F)c(F)c4)C3=O)c2=O)c1C ZINC000097956026 553835725 /nfs/dbraw/zinc/83/57/25/553835725.db2.gz ZEEROCLSHJABBX-YSMPRRRNSA-N 0 1 528.559 5.465 50 0 KKAAMN COc1ccccc1C1c2c(C)nn(-c3ccc(Cl)cc3)c2Oc2ncn3nc(-c4ccccc4O)nc3c21 ZINC000097956581 553839940 /nfs/dbraw/zinc/83/99/40/553839940.db2.gz VOBPKTPRYRYRMC-XMMPIXPASA-N 0 1 536.979 5.939 50 0 KKAAMN COc1ccccc1C1c2c(C)nn(-c3ccc(Cl)cc3)c2Oc2ncn3nc(-c4cccnc4)nc3c21 ZINC000097956600 553840118 /nfs/dbraw/zinc/84/01/18/553840118.db2.gz MSVCJGKOZLELQO-QHCPKHFHSA-N 0 1 521.968 5.628 50 0 KKAAMN COc1ccccc1C1c2c(C)nn(-c3cccc(Cl)c3)c2Oc2ncn3nc(-c4ccncc4)nc3c21 ZINC000097956623 553840171 /nfs/dbraw/zinc/84/01/71/553840171.db2.gz PJBHSHDVKKSEAH-HSZRJFAPSA-N 0 1 521.968 5.628 50 0 KKAAMN COc1ccc(-c2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)C4c2ccccc2OC)cc1OC ZINC000097956721 553841163 /nfs/dbraw/zinc/84/11/63/553841163.db2.gz REHFHNDVRIVQHN-SANMLTNESA-N 0 1 546.587 5.597 50 0 KKAAMN Cc1c(NC(=O)c2cccc(NC(=O)c3ccccc3NS(=O)(=O)c3cc(C)ccc3C)c2)c(=O)n(-c2ccccc2)n1C ZINC000029491994 553845177 /nfs/dbraw/zinc/84/51/77/553845177.db2.gz VYDNTJVUJYDDGK-UHFFFAOYSA-N 0 1 609.708 5.407 50 0 KKAAMN O=C(CCCCC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000030947750 553860714 /nfs/dbraw/zinc/86/07/14/553860714.db2.gz DQSQKFGLJYBPNW-UHFFFAOYSA-N 0 1 512.414 5.614 50 0 KKAAMN CN1CCc2cccc3c2[C@H]1Cc1ccc(OC(=O)c2ccc(F)cc2)c(OC(=O)c2ccc(F)cc2)c1-3 ZINC000031283290 553861233 /nfs/dbraw/zinc/86/12/33/553861233.db2.gz DOABYPDJDXYVHO-RUZDIDTESA-N 0 1 511.524 6.155 50 0 KKAAMN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCN(C(C)C)C3)cc1 ZINC000097963425 553890172 /nfs/dbraw/zinc/89/01/72/553890172.db2.gz VIYWMMCQNUKAEQ-UHFFFAOYSA-N 0 1 568.790 6.074 50 0 KKAAMN C[N@@H+](CCNc1cc(C(=O)[O-])nc2cc(Cl)cc(Cl)c21)CC1c2ccccc2CCc2ccccc21 ZINC000033335531 553921619 /nfs/dbraw/zinc/92/16/19/553921619.db2.gz KXLQLNHURHZFBF-UHFFFAOYSA-N 0 1 520.460 6.514 50 0 KKAAMN COc1ccc(-c2nc(-c3ccccc3)c(-c3ccc4c(c3)sc3cc(-c5nc(-c6ccc(OC)cc6)[nH]c5-c5ccccc5)ccc34)[nH]2)cc1 ZINC000033354205 553928592 /nfs/dbraw/zinc/92/85/92/553928592.db2.gz RXNPLHXWGBRRAB-UHFFFAOYSA-N 0 1 680.833 11.520 50 0 KKAAMN COc1ccc(-c2nc(-c3ccc4c(c3)sc3cc(-c5nc(-c6ccc(OC)cc6)[nH]c5-c5ccccc5)ccc34)c(-c3ccccc3)[nH]2)cc1 ZINC000033354205 553928594 /nfs/dbraw/zinc/92/85/94/553928594.db2.gz RXNPLHXWGBRRAB-UHFFFAOYSA-N 0 1 680.833 11.520 50 0 KKAAMN Cc1oc(-c2cccc(Br)c2)nc1CN1CCC(C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000033356403 553941054 /nfs/dbraw/zinc/94/10/54/553941054.db2.gz OTUNWRKTTLFLKQ-UHFFFAOYSA-N 0 1 600.989 5.216 50 0 KKAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2ccc3c(c2)OCO3)cc1Cl ZINC000033358421 553955421 /nfs/dbraw/zinc/95/54/21/553955421.db2.gz VROHMVOQHDRJRG-FCHUYYIVSA-N 0 1 598.653 6.743 50 0 KKAAMN O=C1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@@H](c2ccc(F)cc2)N1c1cccc(C(F)(F)F)c1 ZINC000033358473 553956113 /nfs/dbraw/zinc/95/61/13/553956113.db2.gz XKLZKSYQADFTLJ-WOJBJXKFSA-N 0 1 592.159 7.211 50 0 KKAAMN CCCSc1ccccc1N1CCN(CCC[C@H](OC(=O)COc2ccc3c(c2C)CCCC3)c2ccccc2)CC1 ZINC000097973078 553968225 /nfs/dbraw/zinc/96/82/25/553968225.db2.gz JKERCWWPUJPDEY-UMSFTDKQSA-N 0 1 586.842 7.642 50 0 KKAAMN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CCN2CCCCC2)C(=O)Nc2ccc(C)cc2)s1 ZINC000033716539 553969821 /nfs/dbraw/zinc/96/98/21/553969821.db2.gz JBISWSCYFQAXIJ-UHFFFAOYSA-N 0 1 536.717 6.053 50 0 KKAAMN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CCN2CCCCC2)C(=O)Nc2cccc(Cl)c2)o1 ZINC000033861873 553975404 /nfs/dbraw/zinc/97/54/04/553975404.db2.gz JBCKZBJDXKXCCS-UHFFFAOYSA-N 0 1 537.104 5.833 50 0 KKAAMN CCN(CC)c1ccc(NC(=O)/C=C/c2cccc(Br)c2)cc1S(=O)(=O)Nc1ccccc1OC ZINC000097980125 553985648 /nfs/dbraw/zinc/98/56/48/553985648.db2.gz BHXHRBNYGGHQTH-DTQAZKPQSA-N 0 1 558.498 5.757 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC=C2c3ccccc3C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1C ZINC000097980510 553989270 /nfs/dbraw/zinc/98/92/70/553989270.db2.gz AKPNECDQXRQKFT-ZXVVBBHZSA-N 0 1 567.667 6.061 50 0 KKAAMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)/C=C/c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)ccc2OC)cc1 ZINC000097980614 553989851 /nfs/dbraw/zinc/98/98/51/553989851.db2.gz YDPUITOQAUWOEU-DJKKODMXSA-N 0 1 652.747 5.631 50 0 KKAAMN Cc1ccc(N2CCCN(Cc3ccc(F)cc3F)C2=O)c(NS(=O)(=O)c2cccc(Cl)c2)c1 ZINC000034737762 553998464 /nfs/dbraw/zinc/99/84/64/553998464.db2.gz UPRJHUWWFUYISK-UHFFFAOYSA-N 0 1 505.974 5.560 50 0 KKAAMN COc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000097982363 554001499 /nfs/dbraw/zinc/00/14/99/554001499.db2.gz AMRWZVKBSBUBAU-UHFFFAOYSA-N 0 1 576.538 5.683 50 0 KKAAMN COc1ccc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000097982364 554001524 /nfs/dbraw/zinc/00/15/24/554001524.db2.gz PDRZSKNAQFRYLJ-UHFFFAOYSA-N 0 1 578.554 5.288 50 0 KKAAMN COc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3ccccc3NS(=O)(=O)c3cc(C)ccc3C)c2)cc1 ZINC000097982860 554005165 /nfs/dbraw/zinc/00/51/65/554005165.db2.gz SMBUUALNDKKYPZ-UHFFFAOYSA-N 0 1 565.673 5.166 50 0 KKAAMN O=C(Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000097982868 554005655 /nfs/dbraw/zinc/00/56/55/554005655.db2.gz SDZVRMVHEBEQJG-UHFFFAOYSA-N 0 1 593.580 5.698 50 0 KKAAMN O=[P@@](/C=C(/Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000097983769 554011731 /nfs/dbraw/zinc/01/17/31/554011731.db2.gz ACRYFFHVKRSUHV-SZNZDIFOSA-N 0 1 547.447 10.128 50 0 KKAAMN COc1ccc(NS(=O)(=O)c2cc(NP3(=O)C=C(c4ccccc4)OC(c4ccccc4)=C3)ccc2Cl)cc1 ZINC000097983932 554013094 /nfs/dbraw/zinc/01/30/94/554013094.db2.gz HLCXVRUYGZBPFG-UHFFFAOYSA-N 0 1 579.014 7.867 50 0 KKAAMN CC[C@H](C(=O)N1CCCN(C(=O)[C@@H](C)N2CCc3sccc3[C@@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000034830414 554015822 /nfs/dbraw/zinc/01/58/22/554015822.db2.gz QLBLTERBNPVWOT-QVNGGLPSSA-N 0 1 529.750 5.647 50 0 KKAAMN Cc1ccc(NC(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000034830586 554016449 /nfs/dbraw/zinc/01/64/49/554016449.db2.gz QFHVEBHURJSVJE-KMRXNPHXSA-N 0 1 520.674 5.298 50 0 KKAAMN CCN1CCN(c2c(CN(CCC(C)C)C(=O)Nc3cccc(C)c3)c(C)nn2-c2ccccc2)CC1 ZINC000034832217 554018016 /nfs/dbraw/zinc/01/80/16/554018016.db2.gz NZVYBIPWFPMIKZ-UHFFFAOYSA-N 0 1 502.707 5.711 50 0 KKAAMN Cc1nn(-c2ccccc2)c(N2CCN(C)CC2)c1CN(CC(C)C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000034834384 554018932 /nfs/dbraw/zinc/01/89/32/554018932.db2.gz VMUUNDPVPBMQEB-UHFFFAOYSA-N 0 1 501.719 5.528 50 0 KKAAMN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)C(=O)c1ccc2ccccc2c1 ZINC000034835012 554019222 /nfs/dbraw/zinc/01/92/22/554019222.db2.gz ULFDVYOTBKNBRI-XMMPIXPASA-N 0 1 509.698 5.917 50 0 KKAAMN CCc1nn(-c2ccc(F)cc2)c(N2CCN(C(C)C)CC2)c1CN(CC(C)C)C(=O)c1cccs1 ZINC000034835321 554019521 /nfs/dbraw/zinc/01/95/21/554019521.db2.gz UYDPZUONZBLYNR-UHFFFAOYSA-N 0 1 511.711 5.464 50 0 KKAAMN CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(C(C)C)CC1)C(=O)c1ccc(Cl)cc1 ZINC000034835385 554019569 /nfs/dbraw/zinc/01/95/69/554019569.db2.gz UICIEIHFAJXUDO-UHFFFAOYSA-N 0 1 526.100 5.810 50 0 KKAAMN CCc1ccc(C(=O)N(Cc2c(C)nn(-c3cccc(F)c3)c2N2CCN(C(C)C)CC2)C(C)C)cc1 ZINC000034835738 554019949 /nfs/dbraw/zinc/01/99/49/554019949.db2.gz IGARHYJAOBEEJU-UHFFFAOYSA-N 0 1 505.682 5.463 50 0 KKAAMN CCN1CCN(c2c(CN(C(=O)c3ccc4ccccc4c3)C3CC3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034835621 554019955 /nfs/dbraw/zinc/01/99/55/554019955.db2.gz DQDRRQFYCOETOR-UHFFFAOYSA-N 0 1 511.645 5.420 50 0 KKAAMN Nn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1-c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000097990112 554028244 /nfs/dbraw/zinc/02/82/44/554028244.db2.gz RUZNXSCOOSUVFK-UHFFFAOYSA-N 0 1 528.347 5.105 50 0 KKAAMN Brc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4nc(-c5ccc(Br)s5)[nH]c4-c4ccccc4)cc3)[nH]2)s1 ZINC000097999866 554046473 /nfs/dbraw/zinc/04/64/73/554046473.db2.gz HAGQZCUVTIQRSI-UHFFFAOYSA-N 0 1 684.482 10.783 50 0 KKAAMN Brc1ccc(-c2nc(-c3ccc(-c4nc(-c5ccc(Br)s5)[nH]c4-c4ccccc4)cc3)c(-c3ccccc3)[nH]2)s1 ZINC000097999866 554046475 /nfs/dbraw/zinc/04/64/75/554046475.db2.gz HAGQZCUVTIQRSI-UHFFFAOYSA-N 0 1 684.482 10.783 50 0 KKAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(C(C)C)cc1)C(c1ccc(Br)cc1)=N2 ZINC000035397209 554047882 /nfs/dbraw/zinc/04/78/82/554047882.db2.gz PWZLXINUKHQEDR-UHFFFAOYSA-N 0 1 527.532 5.958 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(Cc5ccc(OC)c(OC)c5)nc4c32)cc1 ZINC000098000054 554048152 /nfs/dbraw/zinc/04/81/52/554048152.db2.gz VSLWSGMBIBNMHC-MUUNZHRXSA-N 0 1 560.614 5.521 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000035843176 554081715 /nfs/dbraw/zinc/08/17/15/554081715.db2.gz DSKVOGRWCPWEBW-ZQOCDUSVSA-N 0 1 520.629 5.674 50 0 KKAAMN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CCN2CCCC2)C(=O)c2ccc(Cl)c(Cl)c2)o1 ZINC000098019646 554113507 /nfs/dbraw/zinc/11/35/07/554113507.db2.gz WIULYDOSOBJBPZ-UHFFFAOYSA-N 0 1 542.507 5.704 50 0 KKAAMN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CCN2CCCC2)C(=O)c2ccc(Cl)cc2)cc1OC ZINC000098019689 554113858 /nfs/dbraw/zinc/11/38/58/554113858.db2.gz JUDRIJYYHXAOKZ-UHFFFAOYSA-N 0 1 568.114 5.068 50 0 KKAAMN Cc1nn2c(nc(C)c(Cc3ccccc3)c2N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1-c1ccccc1 ZINC000098048085 554159239 /nfs/dbraw/zinc/15/92/39/554159239.db2.gz QFWIOXJIVLAOOM-UHFFFAOYSA-N 0 1 563.749 7.516 50 0 KKAAMN COc1ccc(OC)c([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(Cl)c2)c1 ZINC000098049917 554170111 /nfs/dbraw/zinc/17/01/11/554170111.db2.gz SBYXZCIDVINVDT-PKTZIBPZSA-N 0 1 614.696 7.032 50 0 KKAAMN CCOc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Cl)cc2C)cc1 ZINC000098049975 554170761 /nfs/dbraw/zinc/17/07/61/554170761.db2.gz HKNYLBLJSGVHBS-DHIUTWEWSA-N 0 1 598.697 7.413 50 0 KKAAMN COc1ccc(OC)c([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Br)c(C)c2)c1 ZINC000098050016 554171108 /nfs/dbraw/zinc/17/11/08/554171108.db2.gz XLZPCXJJRCZLCT-GOTSBHOMSA-N 0 1 659.147 7.141 50 0 KKAAMN CCOc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Cl)c(Cl)c2)cc1 ZINC000098050030 554171358 /nfs/dbraw/zinc/17/13/58/554171358.db2.gz KGQBYAKAXUZSSY-FCHUYYIVSA-N 0 1 619.115 7.758 50 0 KKAAMN COc1ccc(OC)c([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cc(Cl)cc(Cl)c2)c1 ZINC000098050048 554171379 /nfs/dbraw/zinc/17/13/79/554171379.db2.gz LTNDWXQTANTTGG-VXKWHMMOSA-N 0 1 635.114 7.377 50 0 KKAAMN COc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cc(Cl)cc(Cl)c2)cc1Br ZINC000098050024 554171432 /nfs/dbraw/zinc/17/14/32/554171432.db2.gz IYZHXUPTMOHZHJ-SFTDATJTSA-N 0 1 683.984 8.131 50 0 KKAAMN O=C1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@H](c2cccs2)N1c1ccc(Cl)c(Cl)c1 ZINC000098050086 554172034 /nfs/dbraw/zinc/17/20/34/554172034.db2.gz POKCVYFJWQBXHE-ZWKOTPCHSA-N 0 1 581.091 7.421 50 0 KKAAMN COc1ccc(OC)c([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(F)cc2)c1 ZINC000098050096 554172058 /nfs/dbraw/zinc/17/20/58/554172058.db2.gz XAIXPIXCUWGUMM-VXKWHMMOSA-N 0 1 584.214 6.209 50 0 KKAAMN O=C1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@@H](c2cccs2)N1c1ccc(Cl)cc1 ZINC000098050140 554172336 /nfs/dbraw/zinc/17/23/36/554172336.db2.gz AKVASPZVXGNXLB-MSOLQXFVSA-N 0 1 546.646 6.768 50 0 KKAAMN Cc1csc2nc(CN(Cc3cc(=O)n4c(C)csc4n3)[C@@H](C)C34CC5CC(CC(C5)C3)C4)cc(=O)n12 ZINC000098050547 554175164 /nfs/dbraw/zinc/17/51/64/554175164.db2.gz NUDJBCRSLSOQBV-CBKZDSQWSA-N 0 1 535.739 5.049 50 0 KKAAMN Cc1csc2nc(CN(Cc3cc(=O)n4c(C)csc4n3)[C@H](C)C34CC5CC(CC(C5)C3)C4)cc(=O)n12 ZINC000098050548 554175216 /nfs/dbraw/zinc/17/52/16/554175216.db2.gz NUDJBCRSLSOQBV-DKODJIDWSA-N 0 1 535.739 5.049 50 0 KKAAMN CC(C)c1ccccc1OCc1nc(CN(CCN2CCCCC2)C(=O)c2ccc(Cl)cc2)cs1 ZINC000036116618 554181918 /nfs/dbraw/zinc/18/19/18/554181918.db2.gz WIXUFFAKLUTJQT-UHFFFAOYSA-N 0 1 512.119 6.627 50 0 KKAAMN Cc1ccccc1CN(Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)C[C@@H]1CCCO1 ZINC000036203246 554201062 /nfs/dbraw/zinc/20/10/62/554201062.db2.gz IMFHNUOKKPMJII-NDEPHWFRSA-N 0 1 503.589 6.332 50 0 KKAAMN CCCN(Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1cccc(OC)c1 ZINC000036203406 554201240 /nfs/dbraw/zinc/20/12/40/554201240.db2.gz JCJALPWIIXKELC-UHFFFAOYSA-N 0 1 501.623 6.002 50 0 KKAAMN COc1ccc(C(O)(c2ccc(CN(Cc3cc(OC)cc(OC)c3)C(C)C)o2)c2ccc(OC)cc2)cc1 ZINC000036203681 554201305 /nfs/dbraw/zinc/20/13/05/554201305.db2.gz AXHRQQCYYBLKGZ-UHFFFAOYSA-N 0 1 531.649 6.009 50 0 KKAAMN CCOC[C@@H](O)CN(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)CC1CC1 ZINC000036301715 554211792 /nfs/dbraw/zinc/21/17/92/554211792.db2.gz DMTHSWOYGWSFSY-QHCPKHFHSA-N 0 1 500.039 5.244 50 0 KKAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C[C@@H](O)COC(C)(C)C ZINC000036305095 554214868 /nfs/dbraw/zinc/21/48/68/554214868.db2.gz ZRYDXWWGXNPSPI-JOCHJYFZSA-N 0 1 502.055 5.157 50 0 KKAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C[C@H](O)Cc1ccccc1 ZINC000036305076 554214991 /nfs/dbraw/zinc/21/49/91/554214991.db2.gz AQDSWDLEBJLJAR-RUZDIDTESA-N 0 1 506.046 5.585 50 0 KKAAMN Cc1ccc(C2=NN(C(=O)CN3CCC(Cc4ccccc4)CC3)[C@H](c3ccccc3Cl)C2)cc1C ZINC000036340984 554220071 /nfs/dbraw/zinc/22/00/71/554220071.db2.gz DQWNRZBBTOMEAH-PMERELPUSA-N 0 1 500.086 6.589 50 0 KKAAMN COc1cccc(C2=NN(C(=O)CN3CCC(Cc4ccccc4)CC3)[C@@H](c3ccccc3Cl)C2)c1 ZINC000036341059 554220518 /nfs/dbraw/zinc/22/05/18/554220518.db2.gz QXVOUYIDCYOXQE-GDLZYMKVSA-N 0 1 502.058 5.981 50 0 KKAAMN COc1ccc(OC)c([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN2CCC(Cc3ccccc3)CC2)c1 ZINC000036341697 554220946 /nfs/dbraw/zinc/22/09/46/554220946.db2.gz XNZYUGDBMCDATE-HKBQPEDESA-N 0 1 525.693 5.953 50 0 KKAAMN COc1ccc(C2=NN(C(=O)CN3CCC(Cc4ccccc4)CC3)[C@H](c3ccc(OC)cc3OC)C2)cc1 ZINC000036343245 554221656 /nfs/dbraw/zinc/22/16/56/554221656.db2.gz DONNZCDDZIMYKM-PMERELPUSA-N 0 1 527.665 5.345 50 0 KKAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc3c(c1)OCO3)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000045912789 554313960 /nfs/dbraw/zinc/31/39/60/554313960.db2.gz PWAXRYOYRVNIFA-UHFFFAOYSA-N 0 1 506.672 5.098 50 0 KKAAMN CCOC(=O)c1c(C)c(C)sc1Nc1nc2ccccc2nc1N1CCN(Cc2ccccc2)CC1 ZINC000057061371 554352439 /nfs/dbraw/zinc/35/24/39/554352439.db2.gz COALJMBDKOLDLO-UHFFFAOYSA-N 0 1 501.656 5.551 50 0 KKAAMN COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)COc2ccc(C(C)(C)C)cc2)c1 ZINC000057222685 554352754 /nfs/dbraw/zinc/35/27/54/554352754.db2.gz MHPOEGPMUXTEPY-UHFFFAOYSA-N 0 1 515.654 5.110 50 0 KKAAMN COc1cccc(N2CCN(C3=[NH+]c4c(F)cccc4[C@H](CC(=O)[O-])N3c3cc(C(F)(F)F)ccc3OC)CC2)c1 ZINC000100369359 554355508 /nfs/dbraw/zinc/35/55/08/554355508.db2.gz FWYSMLBETOMXAG-QHCPKHFHSA-N 0 1 572.559 5.707 50 0 world KKAAMN COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 ZINC000100404926 554373208 /nfs/dbraw/zinc/37/32/08/554373208.db2.gz QZAUEXUBAQSWIE-UHFFFAOYSA-N 0 1 554.499 6.569 50 0 KKAAMN O=c1/c(=C/c2cc(Br)cc(Cl)c2O)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000059222210 554385802 /nfs/dbraw/zinc/38/58/02/554385802.db2.gz WWWZQDBHAYNFDZ-VMOHIOPYSA-N 0 1 555.906 5.502 50 0 KKAAMN O=C(c1ccc(Cl)c(Cl)c1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)cc1 ZINC000100425510 554386659 /nfs/dbraw/zinc/38/66/59/554386659.db2.gz MYBHOLYAHAUXMQ-SLQAJWMNSA-N 0 1 563.868 9.104 50 0 KKAAMN COc1cccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000100425577 554387049 /nfs/dbraw/zinc/38/70/49/554387049.db2.gz TWTUUYKZXRJSAF-MHZLTWQESA-N 0 1 536.459 8.500 50 0 KKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000100426427 554388105 /nfs/dbraw/zinc/38/81/05/554388105.db2.gz VXFRQHDYBRQTLH-QJWGWKRISA-N 0 1 558.631 6.300 50 0 biogenic KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(C(C)=O)cc1 ZINC000100426420 554388111 /nfs/dbraw/zinc/38/81/11/554388111.db2.gz NIIKRXHJDUPPDL-JXSYCYSGSA-N 0 1 566.698 8.037 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000100426506 554388373 /nfs/dbraw/zinc/38/83/73/554388373.db2.gz ZWHCYGGACPIZJJ-PVAZPRTOSA-N 0 1 559.106 8.488 50 0 KKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000100426488 554388402 /nfs/dbraw/zinc/38/84/02/554388402.db2.gz WMZYZNQIGJSTFK-WENCNXQZSA-N 0 1 517.025 7.317 50 0 KKAAMN CC(=O)Oc1cccc([C@@H]2C3=C(C[C@@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(C)=O)c1 ZINC000100426874 554389029 /nfs/dbraw/zinc/38/90/29/554389029.db2.gz VHCWFEBLOFHDDQ-ONOMSOESSA-N 0 1 500.982 6.835 50 0 KKAAMN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000100426819 554389069 /nfs/dbraw/zinc/38/90/69/554389069.db2.gz YXEHXJJMVLUTAM-IPBJYNAHSA-N 0 1 539.462 8.857 50 0 KKAAMN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccc(C)cc4N(C(=O)c4ccccc4)[C@H]3c3cccs3)C2)cc1 ZINC000100427093 554389361 /nfs/dbraw/zinc/38/93/61/554389361.db2.gz AVKCOSGZKRRSDZ-FWUCURJTSA-N 0 1 520.654 7.929 50 0 KKAAMN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccc(C)cc4N(C(=O)c4ccccc4)[C@H]3c3cccs3)C2)cc1 ZINC000100427088 554389381 /nfs/dbraw/zinc/38/93/81/554389381.db2.gz AVKCOSGZKRRSDZ-IPBJYNAHSA-N 0 1 520.654 7.929 50 0 KKAAMN CCCCCC(=O)N1c2cc(C)ccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(OC)cc1 ZINC000100427176 554389549 /nfs/dbraw/zinc/38/95/49/554389549.db2.gz ZMJOYYUCIHQDEP-JQJBXXCASA-N 0 1 508.662 8.134 50 0 KKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000100429455 554390491 /nfs/dbraw/zinc/39/04/91/554390491.db2.gz OOKQQDOLWWXRRO-ROTAYESASA-N 0 1 512.606 6.673 50 0 KKAAMN COC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000100499802 554405198 /nfs/dbraw/zinc/40/51/98/554405198.db2.gz MEWZXRVQWRJNQH-UHFFFAOYSA-N 0 1 535.449 6.131 50 0 KKAAMN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c(Cl)c1Cl ZINC000059651104 554417872 /nfs/dbraw/zinc/41/78/72/554417872.db2.gz KXIGFNMSYPIOMF-UHFFFAOYSA-N 0 1 521.831 5.257 50 0 KKAAMN O=C1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@@H](c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000100582665 554425287 /nfs/dbraw/zinc/42/52/87/554425287.db2.gz AVTMQTVCJMFYLK-WOJBJXKFSA-N 0 1 558.607 6.845 50 0 KKAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2ccc(F)cc2)cc1F ZINC000100584277 554425826 /nfs/dbraw/zinc/42/58/26/554425826.db2.gz COXXCZRDUJMZMP-SFTDATJTSA-N 0 1 556.179 6.640 50 0 KKAAMN Cc1cc(Cl)ccc1N1C(=O)C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@@H]1c1ccc(F)cc1 ZINC000100584466 554426058 /nfs/dbraw/zinc/42/60/58/554426058.db2.gz MRMBJHPZGOMNFN-LEWJYISDSA-N 0 1 572.634 7.154 50 0 KKAAMN Cc1cc(Cl)ccc1N1C(=O)C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@@H]1c1ccc(F)cc1 ZINC000100584460 554426126 /nfs/dbraw/zinc/42/61/26/554426126.db2.gz MRMBJHPZGOMNFN-SFTDATJTSA-N 0 1 572.634 7.154 50 0 KKAAMN COc1ccc(-c2cc(C(F)(F)F)nc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)cc1OC ZINC000059745819 554427897 /nfs/dbraw/zinc/42/78/97/554427897.db2.gz IACKDFUKVOKKHZ-UHFFFAOYSA-N 0 1 534.582 6.091 50 0 KKAAMN CCc1cccc2c1NC(=O)[C@@]21N2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@]12c1ccccc1NC2=O ZINC000059785524 554430231 /nfs/dbraw/zinc/43/02/31/554430231.db2.gz QYQDPBFSISDNBS-RHDHJKTESA-N 0 1 527.624 5.417 50 0 KKAAMN O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1 ZINC000064474568 554511279 /nfs/dbraw/zinc/51/12/79/554511279.db2.gz GKTHXUARCGQNLZ-UHFFFAOYSA-N 0 1 531.650 5.197 50 0 KKAAMN Cc1ccc(S(=O)(=O)C2=C(O)C(=O)N(c3ccc(Br)cc3)[C@H]2c2ccc(F)cc2)cc1 ZINC000064558181 554511624 /nfs/dbraw/zinc/51/16/24/554511624.db2.gz ITEKCCZEYLWHHF-FQEVSTJZSA-N 0 1 502.361 5.228 50 0 KKAAMN O=C1C(Nc2cccc(C(F)(F)F)c2)=C[C@H](c2ccc(Br)cc2)N1c1cccc(C(F)(F)F)c1 ZINC000100896167 554514141 /nfs/dbraw/zinc/51/41/41/554514141.db2.gz MBECZPPLDQUYFX-OAQYLSRUSA-N 0 1 541.289 7.571 50 0 KKAAMN COc1ccc(C2=CSC3=NC4=C(CN(C)C/C4=C\c4ccc(Cl)cc4)[C@H](c4ccc(Cl)cc4)N23)cc1 ZINC000100975232 554546853 /nfs/dbraw/zinc/54/68/53/554546853.db2.gz PGAMAJHGBBLEKD-NKVKBKOUSA-N 0 1 546.523 7.743 50 0 KKAAMN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000100981724 554547743 /nfs/dbraw/zinc/54/77/43/554547743.db2.gz ZNTIAZSZFSNQEM-UHFFFAOYSA-N 0 1 574.055 5.641 50 0 KKAAMN COc1cccc(C2=NN3[C@H](C2)c2cc(Br)cc(OC)c2OC32CCN(Cc3ccccc3)CC2)c1 ZINC000100989558 554549954 /nfs/dbraw/zinc/54/99/54/554549954.db2.gz WGLSVYNUFYWTNP-AREMUKBSSA-N 0 1 548.481 6.002 50 0 KKAAMN CC(C)(C)c1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@H]3ON2c2ccccc2)cc(C(C)(C)C)c1O ZINC000101076319 554577817 /nfs/dbraw/zinc/57/78/17/554577817.db2.gz UTCYUDYBHIVTMJ-WEWMWRJBSA-N 0 1 577.519 6.801 50 0 KKAAMN CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(=C(O)c1ccc(Cl)cc1)[C@]21C(=O)Nc2ccccc21 ZINC000101091080 554582196 /nfs/dbraw/zinc/58/21/96/554582196.db2.gz SNBOTEQUDBQPDP-WFPUBZAHSA-N 0 1 545.038 6.586 50 0 KKAAMN Brc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2OC32CCN(Cc3ccccc3)CC2)s1 ZINC000101092065 554583039 /nfs/dbraw/zinc/58/30/39/554583039.db2.gz AIVPMULFOXYNJZ-NRFANRHFSA-N 0 1 573.354 6.809 50 0 KKAAMN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000101097002 554584666 /nfs/dbraw/zinc/58/46/66/554584666.db2.gz BOFLRWNUAIVPMS-IARZGTGTSA-N 0 1 500.595 5.624 50 0 KKAAMN O=C(Oc1ccc([C@@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccccc2)cc1)c1ccccc1 ZINC000101115470 554642800 /nfs/dbraw/zinc/64/28/00/554642800.db2.gz FGYBWTFVCYLGRF-PFBJBMPXSA-N 0 1 524.960 5.610 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000101130027 554649168 /nfs/dbraw/zinc/64/91/68/554649168.db2.gz UUZJMAIIODEPQS-FCEKVYKBSA-N 0 1 538.531 5.105 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@H]1N2[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c2ccc(Cl)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000101171779 554661903 /nfs/dbraw/zinc/66/19/03/554661903.db2.gz BHYUNAMVVSPDAI-XAEBNIDXSA-N 0 1 539.075 6.627 50 0 KKAAMN O=C(c1ccccc1F)[C@@H]1C(=C(O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000101179883 554666448 /nfs/dbraw/zinc/66/64/48/554666448.db2.gz JWRRNYZTZWGEFD-UUQNIDNHSA-N 0 1 514.556 5.682 50 0 KKAAMN COc1cccc(C(O)=C2[C@@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000101180130 554666660 /nfs/dbraw/zinc/66/66/60/554666660.db2.gz XRENAJQEJDRCEY-QODLHPCFSA-N 0 1 532.621 5.613 50 0 KKAAMN O=C(c1cccs1)[C@@H]1C(=C(O)c2ccc(Cl)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000101180965 554667022 /nfs/dbraw/zinc/66/70/22/554667022.db2.gz MOGNANHQJGBVJZ-ANOKCIKSSA-N 0 1 537.040 6.258 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@H]1N2[C@H](C(=O)c2cccs2)C(=C(O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000101193596 554671564 /nfs/dbraw/zinc/67/15/64/554671564.db2.gz GEVDKQLPVVXEBG-UUQNIDNHSA-N 0 1 530.649 6.303 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000101199754 554672520 /nfs/dbraw/zinc/67/25/20/554672520.db2.gz APQGGCINDKCRQR-JVPIYLDOSA-N 0 1 525.048 6.237 50 0 KKAAMN CSc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCCN3CCN(c4cccc(Cl)c4)CC3)C2=S)c1 ZINC000101216275 554683226 /nfs/dbraw/zinc/68/32/26/554683226.db2.gz BJCMEXIXRUNJSQ-NDEPHWFRSA-N 0 1 626.223 5.744 50 0 KKAAMN COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCCN3CCN(c4cccc(Cl)c4)CC3)C2=S)cc1 ZINC000101216576 554683992 /nfs/dbraw/zinc/68/39/92/554683992.db2.gz QCJHFCOEPVAQCN-NDEPHWFRSA-N 0 1 610.155 5.031 50 0 KKAAMN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000101252522 554694236 /nfs/dbraw/zinc/69/42/36/554694236.db2.gz QQLFJLVMQCIPOZ-IARZGTGTSA-N 0 1 500.595 5.542 50 0 KKAAMN CN1CC2=C(N=C3SC=C(c4ccc(Cl)cc4)N3[C@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 ZINC000101299268 554712801 /nfs/dbraw/zinc/71/28/01/554712801.db2.gz XFAQETCWONQQOS-BSKIJULFSA-N 0 1 550.942 8.388 50 0 KKAAMN CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@@H]3c3cccc(F)c3)CC2)cc1 ZINC000101340995 554735403 /nfs/dbraw/zinc/73/54/03/554735403.db2.gz NMSYDVRHSNRGCB-LJAQVGFWSA-N 0 1 569.768 5.055 50 0 KKAAMN Cc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3Cl)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000101359208 554741532 /nfs/dbraw/zinc/74/15/32/554741532.db2.gz HYGQBWAFLZQCDN-CDACFMRSSA-N 0 1 545.038 6.505 50 0 KKAAMN Cc1oc2ncn(Cc3ccccc3)c(=O)c2c1C(=O)Nc1c2ccccc2oc1C(=O)c1ccc(F)cc1 ZINC000101361835 554743220 /nfs/dbraw/zinc/74/32/20/554743220.db2.gz CPGPCHGOYONCJL-UHFFFAOYSA-N 0 1 521.504 5.715 50 0 KKAAMN CCCOc1ccc(C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(c4cc(C)cc(C)c4NC3=O)[C@]23c2ccccc2NC3=O)cc1 ZINC000101366820 554743991 /nfs/dbraw/zinc/74/39/91/554743991.db2.gz HKLDPCDOBCAEMP-RJYGDKEGSA-N 0 1 535.644 5.107 50 0 KKAAMN COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000101373472 554745573 /nfs/dbraw/zinc/74/55/73/554745573.db2.gz MKSKONVZMMHRBM-WVXBCFDCSA-N 0 1 522.601 6.442 50 0 KKAAMN COc1cccc(/C=C2\Sc3ccc(C(=O)NCCCN4CCN(c5cccc(Cl)c5)CC4)cc3N(C)C2=O)c1 ZINC000101374340 554745820 /nfs/dbraw/zinc/74/58/20/554745820.db2.gz INPADJKVPRLOQC-CEUNXORHSA-N 0 1 577.150 5.400 50 0 KKAAMN CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4cc(C(F)(F)F)ccc4N4CC[N@@H+](Cc5ccccc5)C[C@@H]43)C2=O)cc1 ZINC000101391600 554755026 /nfs/dbraw/zinc/75/50/26/554755026.db2.gz XOOCRHPVAVPKRB-MVSFAKPFSA-N 0 1 576.619 5.538 50 0 KKAAMN CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4cc(C(F)(F)F)ccc4N4CCN(Cc5ccccc5)C[C@@H]43)C2=O)cc1 ZINC000101391600 554755029 /nfs/dbraw/zinc/75/50/29/554755029.db2.gz XOOCRHPVAVPKRB-MVSFAKPFSA-N 0 1 576.619 5.538 50 0 KKAAMN CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1cc(C(F)(F)F)ccc1N1CCN(Cc3ccccc3)C[C@@H]12 ZINC000101391693 554755413 /nfs/dbraw/zinc/75/54/13/554755413.db2.gz IQGLJKGZLRIGOW-IAPPQJPRSA-N 0 1 539.001 6.015 50 0 KKAAMN COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000101407422 554762233 /nfs/dbraw/zinc/76/22/33/554762233.db2.gz UVVAGJGFCILLGD-PZGXJGMVSA-N 0 1 510.565 6.572 50 0 KKAAMN Cc1nn(-c2ncnc3nc[nH]c32)c2c1[C@@]1(CC(=O)N2)C(=O)N(Cc2ccc(F)cc2)c2c1cc(Cl)cc2Cl ZINC000101407976 554762733 /nfs/dbraw/zinc/76/27/33/554762733.db2.gz OOZKTIDUJLRIRA-SANMLTNESA-N 0 1 563.380 5.118 50 0 KKAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)C[C@@H]3C(=O)N(Cc4ccccc4)[C@@H](C)c4nc5ccccc5n43)CC2)c1 ZINC000101425303 554768209 /nfs/dbraw/zinc/76/82/09/554768209.db2.gz UDQXSPFYAMNBHL-QVWWMRLHSA-N 0 1 578.761 5.016 50 0 KKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(C(=O)OC)cc1 ZINC000101428880 554769628 /nfs/dbraw/zinc/76/96/28/554769628.db2.gz ZKHYVCALIVDVKA-YKGWIAGDSA-N 0 1 510.590 6.442 50 0 KKAAMN CCCCOc1ccc(-c2cc(C(=O)Nc3nnc(SCc4ccc(Cl)cc4Cl)s3)no2)cc1 ZINC000101438634 554772531 /nfs/dbraw/zinc/77/25/31/554772531.db2.gz KBSKHICXFKDRNE-UHFFFAOYSA-N 0 1 535.478 7.223 50 0 KKAAMN O=C(Nc1ccc(Cl)c(Cl)c1)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1ccccc1F ZINC000101464287 554779868 /nfs/dbraw/zinc/77/98/68/554779868.db2.gz XUCFTVNOWHWDSQ-PKHCJMHPSA-N 0 1 572.467 9.388 50 0 KKAAMN O=C(Nc1ccc(Cl)c(Cl)c1)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1ccccc1F ZINC000101464288 554779881 /nfs/dbraw/zinc/77/98/81/554779881.db2.gz XUCFTVNOWHWDSQ-PLTNMMHCSA-N 0 1 572.467 9.388 50 0 KKAAMN COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2Cl)cc1 ZINC000101464517 554780151 /nfs/dbraw/zinc/78/01/51/554780151.db2.gz MUALQOHBUAMJPW-GJBXTBEHSA-N 0 1 593.079 7.999 50 0 KKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@@H]3c2cccc(OC)c2)cc1 ZINC000101465412 554780318 /nfs/dbraw/zinc/78/03/18/554780318.db2.gz MBWZHXKRDKYIJW-OGVWKLGRSA-N 0 1 530.624 7.568 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc(C(=O)OC)cc1 ZINC000101486601 554785288 /nfs/dbraw/zinc/78/52/88/554785288.db2.gz SMWWACBBGOWMGH-SMSORMJASA-N 0 1 512.606 7.197 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000101486595 554785293 /nfs/dbraw/zinc/78/52/93/554785293.db2.gz SMWWACBBGOWMGH-CHJDUVSTSA-N 0 1 512.606 7.197 50 0 KKAAMN Cc1cc2sc(N3CCC[C@H](C(=O)NCCCN4CCN(c5cc(Cl)ccc5C)CC4)C3)nc2c(C)c1 ZINC000101584091 554801493 /nfs/dbraw/zinc/80/14/93/554801493.db2.gz AXTBZVXRVKFGRL-QHCPKHFHSA-N 0 1 540.177 5.420 50 0 KKAAMN COc1ccccc1N1CCN(CCCNC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)CC1 ZINC000101618203 554806636 /nfs/dbraw/zinc/80/66/36/554806636.db2.gz PKYUEYFDSJUJFQ-XZWHSSHBSA-N 0 1 560.764 5.022 50 0 KKAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)[C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3cccs3)CC2)c1 ZINC000101618673 554806689 /nfs/dbraw/zinc/80/66/89/554806689.db2.gz 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ZINC000102515292 554947938 /nfs/dbraw/zinc/94/79/38/554947938.db2.gz DFBGZPKURYVVOG-GDJIYFAZSA-N 0 1 552.549 6.825 50 0 KKAAMN COc1ccc(OC)c(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccccc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000102548909 554960543 /nfs/dbraw/zinc/96/05/43/554960543.db2.gz GHMKCJIKFYKHBK-CLWMVSBGSA-N 0 1 576.674 6.012 50 0 KKAAMN COc1ccc(C(O)=C2[C@@H](C(=O)c3ccc(C)cc3)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000102551816 554962241 /nfs/dbraw/zinc/96/22/41/554962241.db2.gz LDAYFPOFXXVTBH-JMNGKNCGSA-N 0 1 568.673 6.558 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccc(Cl)cc3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N23)c1 ZINC000102564027 554969570 /nfs/dbraw/zinc/96/95/70/554969570.db2.gz BFKUDOCGLQITML-BSYZOHBLSA-N 0 1 589.091 6.903 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@H](C(=O)c3cccc(OC)c3)N3c4ccccc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102564643 554969577 /nfs/dbraw/zinc/96/95/77/554969577.db2.gz ZFQGJWRMPKSSCL-MRXMROIASA-N 0 1 582.700 6.894 50 0 KKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@H]3c2cccc(F)c2)cc1 ZINC000102647233 554993321 /nfs/dbraw/zinc/99/33/21/554993321.db2.gz ZETURIUMHOUPJS-DWXRJYCRSA-N 0 1 510.487 6.947 50 0 KKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000102650057 554995255 /nfs/dbraw/zinc/99/52/55/554995255.db2.gz NPTFAGYZIHNJEC-WEZXKFLESA-N 0 1 572.658 6.690 50 0 KKAAMN COCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000102661993 555000932 /nfs/dbraw/zinc/00/09/32/555000932.db2.gz BMCBCCFWKZJUHQ-WJOKGBTCSA-N 0 1 620.234 6.469 50 0 KKAAMN Cc1cccc2c1NC(=O)[C@]21N2CCC[C@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000102665728 555001707 /nfs/dbraw/zinc/00/17/07/555001707.db2.gz HTVNOZMEKLYJJG-MRPYTORDSA-N 0 1 513.597 5.163 50 0 KKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(C)C)[C@@H]3c2ccc(F)cc2)cc1OC ZINC000102666692 555001715 /nfs/dbraw/zinc/00/17/15/555001715.db2.gz OYZABXHOLDFULF-IIMAJNMQSA-N 0 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0 KKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3cccc(Cl)c3)C2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000102788866 555068540 /nfs/dbraw/zinc/06/85/40/555068540.db2.gz WFGIDTCASYZESY-WENCNXQZSA-N 0 1 517.025 7.317 50 0 KKAAMN CCN1CCN(c2c(CN(CCCOC)C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(C)nn2-c2ccccc2)CC1 ZINC000102832673 555079288 /nfs/dbraw/zinc/07/92/88/555079288.db2.gz LKCVZORMVJMCEC-UHFFFAOYSA-N 0 1 611.631 6.039 50 0 KKAAMN CCN1CCN(c2c(CN(CCCOC)C(=O)c3ccc(Cl)c(Cl)c3)c(C)nn2-c2ccccc2)CC1 ZINC000102832668 555079372 /nfs/dbraw/zinc/07/93/72/555079372.db2.gz UTLRVMZMMKSPAV-UHFFFAOYSA-N 0 1 544.527 5.308 50 0 KKAAMN CC[C@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000102849598 555084992 /nfs/dbraw/zinc/08/49/92/555084992.db2.gz BOICARJMOZUYKR-FQEVSTJZSA-N 0 1 545.625 5.921 50 0 KKAAMN CC[C@@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000102849596 555085004 /nfs/dbraw/zinc/08/50/04/555085004.db2.gz BOICARJMOZUYKR-HXUWFJFHSA-N 0 1 545.625 5.921 50 0 KKAAMN CCOc1ccccc1[C@@H]1C2=C(C[C@H](c3ccc(OC)cc3)CC2=O)Nc2ccccc2N1C(=O)C(F)(F)F ZINC000102866579 555095719 /nfs/dbraw/zinc/09/57/19/555095719.db2.gz PHOGWFLWDJLMSZ-HMILPKGGSA-N 0 1 536.550 7.206 50 0 KKAAMN CCOc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccc(OC)cc3)CC2=O)Nc2ccccc2N1C(=O)C(F)(F)F ZINC000102866572 555095820 /nfs/dbraw/zinc/09/58/20/555095820.db2.gz PHOGWFLWDJLMSZ-WHLCRQNOSA-N 0 1 536.550 7.206 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000102866967 555096334 /nfs/dbraw/zinc/09/63/34/555096334.db2.gz DEWWSCGSCXXTIC-IARZGTGTSA-N 0 1 589.431 6.272 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1ccncc1 ZINC000102874837 555104940 /nfs/dbraw/zinc/10/49/40/555104940.db2.gz KPMBPLTWDAALRC-HPMVVLTCSA-N 0 1 521.705 8.510 50 0 KKAAMN O=C(N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1OCc1ccccc1)C(F)(F)F ZINC000102875375 555105498 /nfs/dbraw/zinc/10/54/98/555105498.db2.gz KXPMNHFHBJNLAF-NRUKRWIHSA-N 0 1 568.595 8.378 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccc(Cl)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000102885720 555115710 /nfs/dbraw/zinc/11/57/10/555115710.db2.gz SABPLPPUZHYNMI-XYIJYTLJSA-N 0 1 559.065 6.895 50 0 KKAAMN COc1cccc(C(O)=C2[C@H](C(=O)c3ccccc3Cl)N3c4ccccc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000102893455 555131064 /nfs/dbraw/zinc/13/10/64/555131064.db2.gz IWFRXJVZMBJVMO-KVOHOPFUSA-N 0 1 575.064 6.595 50 0 KKAAMN COc1cccc(C(O)=C2[C@H](C(=O)c3ccccc3Cl)N3c4ccccc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000102893446 555131070 /nfs/dbraw/zinc/13/10/70/555131070.db2.gz IWFRXJVZMBJVMO-IEMSDXTESA-N 0 1 575.064 6.595 50 0 KKAAMN O=C(N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC000102928655 555154548 /nfs/dbraw/zinc/15/45/48/555154548.db2.gz PZTJSMSQYFTQJS-CRICUBBOSA-N 0 1 514.906 7.592 50 0 KKAAMN C[C@@H](OC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1)C(=O)Nc1cccc(Cl)c1Cl ZINC000102975191 555185019 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/nfs/dbraw/zinc/22/48/94/555224894.db2.gz MFGSFJQYWNQDQK-PPHZAIPVSA-N 0 1 574.644 6.008 50 0 KKAAMN CCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1cccc(C(=O)OC)c1 ZINC000103048927 555230859 /nfs/dbraw/zinc/23/08/59/555230859.db2.gz NMLXTHCKIYGKON-UHFFFAOYSA-N 0 1 580.556 7.135 50 0 KKAAMN O=C(NCc1ccccc1F)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@H]12 ZINC000103052087 555234117 /nfs/dbraw/zinc/23/41/17/555234117.db2.gz CAUVRAMUISFTTM-ZEQKJWHPSA-N 0 1 531.981 5.677 50 0 KKAAMN COCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)Cc1ccc(Cl)cc1 ZINC000103064973 555245354 /nfs/dbraw/zinc/24/53/54/555245354.db2.gz AVHFKNRADKHJQM-UHFFFAOYSA-N 0 1 560.182 7.229 50 0 KKAAMN CCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COc1ccccc1 ZINC000103065008 555245679 /nfs/dbraw/zinc/24/56/79/555245679.db2.gz FAZTZRDCVFHKTH-WJOKGBTCSA-N 0 1 569.790 6.579 50 0 KKAAMN CCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1ccc(Cl)c(Cl)c1 ZINC000103072334 555252324 /nfs/dbraw/zinc/25/23/24/555252324.db2.gz VFLCSHLMBZPLFE-UHFFFAOYSA-N 0 1 591.410 8.655 50 0 KKAAMN CCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1ccc(F)cc1 ZINC000103072340 555252378 /nfs/dbraw/zinc/25/23/78/555252378.db2.gz ZZQRGYQRVKYXIV-UHFFFAOYSA-N 0 1 540.510 7.487 50 0 KKAAMN CCc1cccc2c(C3=C(c4c(C)[nH]n(-c5ccc(Cl)cc5)c4=O)C(=O)N(Cc4ccc(F)cc4)C3=O)c[nH]c21 ZINC000103127109 555295309 /nfs/dbraw/zinc/29/53/09/555295309.db2.gz POGCSOACISISAN-RUZDIDTESA-N 0 1 555.009 5.884 50 0 KKAAMN CCCCc1ccc(C(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000103167446 555323469 /nfs/dbraw/zinc/32/34/69/555323469.db2.gz KMBSGQASVNVNGI-FWUCURJTSA-N 0 1 547.740 5.941 50 0 KKAAMN Nc1c2c(nn1-c1ccc(Cl)c(Cl)c1)nc(N1CCN(CCOc3ccccc3)CC1)nc2-c1ccccc1F ZINC000103235002 555342079 /nfs/dbraw/zinc/34/20/79/555342079.db2.gz ZNGKNVQNHXXQMM-UHFFFAOYSA-N 0 1 578.479 5.712 50 0 KKAAMN COc1cc(CN(CC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccc(C(C)(C)C)cc2)CC(C)C)ccc1O ZINC000103290909 555354184 /nfs/dbraw/zinc/35/41/84/555354184.db2.gz LUKGALQPUKOPKA-UHFFFAOYSA-N 0 1 555.763 6.909 50 0 KKAAMN O[C@H](COCc1ccccc1)CN(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000103313636 555358375 /nfs/dbraw/zinc/35/83/75/555358375.db2.gz OGYHAFLRQKSIBR-ZEQRLZLVSA-N 0 1 533.883 6.220 50 0 KKAAMN O=C1NC(=O)[C@]2(Cc3cccc(F)c3N3CC[C@@H](c4ccccc4)C[C@@H]32)C(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000103406012 555392414 /nfs/dbraw/zinc/39/24/14/555392414.db2.gz MAXQVMWNRPMCRJ-GSDGAUQMSA-N 0 1 537.513 5.423 50 0 KKAAMN CC(C)(C)c1ccc(CN2CCN(c3nc4nn(Cc5ccccc5)c(N)c4c(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000103428885 555411736 /nfs/dbraw/zinc/41/17/36/555411736.db2.gz WKXCRTJYRDZKDI-UHFFFAOYSA-N 0 1 549.698 5.883 50 0 KKAAMN CCc1cccc2c1NC(=O)[C@@]21N2CCC[C@@H]2[C@@H](C(=O)c2ccc(Br)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000103518445 555423938 /nfs/dbraw/zinc/42/39/38/555423938.db2.gz PJAKLDZWFIABNU-GCDSYTDFSA-N 0 1 556.460 5.026 50 0 KKAAMN COc1cccc(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccccc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000103526411 555428688 /nfs/dbraw/zinc/42/86/88/555428688.db2.gz JAEDMTIMWZYTMY-UHLQNUQBSA-N 0 1 546.648 6.003 50 0 KKAAMN COc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CSc2nc3ccccc3s2)cc1 ZINC000104034374 571371474 /nfs/dbraw/zinc/37/14/74/571371474.db2.gz NQLGFQOWCUTGMF-GDLZYMKVSA-N 0 1 555.725 7.890 50 0 KKAAMN CCOc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Cc2ccc(Cl)cc2)cc1 ZINC000104093719 571373645 /nfs/dbraw/zinc/37/36/45/571373645.db2.gz RVUUKFKNZJCGPW-SSEXGKCCSA-N 0 1 515.053 7.774 50 0 KKAAMN O[C@H](COCc1ccccc1)CN(Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104984704 571388715 /nfs/dbraw/zinc/38/87/15/571388715.db2.gz JTVUCQXNNMSOLD-BJKOFHAPSA-N 0 1 517.428 5.705 50 0 KKAAMN Cc1ccc(Oc2c(CN(C[C@@H](O)COC(C)(C)C)C[C@@H]3CCCO3)c(-c3ccccc3)nn2C)cc1 ZINC000105007293 571389110 /nfs/dbraw/zinc/38/91/10/571389110.db2.gz USSMCBOWIAXEKC-RSXGOPAZSA-N 0 1 507.675 5.345 50 0 KKAAMN CCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000105796136 571408753 /nfs/dbraw/zinc/40/87/53/571408753.db2.gz AJACMJRKDCTOFA-TWJOJJKGSA-N 0 1 551.437 5.688 50 0 KKAAMN COc1cccc(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000106014762 571410304 /nfs/dbraw/zinc/41/03/04/571410304.db2.gz GYVPQSCZAHIGTI-CDACFMRSSA-N 0 1 560.675 6.311 50 0 KKAAMN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@@H]3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000106014400 571410357 /nfs/dbraw/zinc/41/03/57/571410357.db2.gz XDLGDMKLZCIDCX-MPFGFTFXSA-N 0 1 552.558 5.413 50 0 KKAAMN O=C(Oc1ccc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)cc1)c1ccccc1 ZINC000106018369 571410440 /nfs/dbraw/zinc/41/04/40/571410440.db2.gz YRTFIEWOVFCHFC-ZONZVBGPSA-N 0 1 569.411 5.719 50 0 KKAAMN CC(C)(C)C(=O)[C@@H]1C(=C(O)c2ccc(Br)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000106017342 571410531 /nfs/dbraw/zinc/41/05/31/571410531.db2.gz PUZOFRLPUMZEQT-PCEYSVKOSA-N 0 1 589.917 6.691 50 0 KKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(F)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3c4ccccc4ccc3N21 ZINC000108521631 571425966 /nfs/dbraw/zinc/42/59/66/571425966.db2.gz PYVLFAANCGCNQE-OGQOOFKISA-N 0 1 502.545 5.541 50 0 KKAAMN COc1ccc(-c2nc(-c3ccccc3)c(-c3ccc4oc5ccc(-c6nc(-c7ccc(OC)cc7)[nH]c6-c6ccccc6)cc5c4c3)[nH]2)cc1 ZINC000150387625 571470223 /nfs/dbraw/zinc/47/02/23/571470223.db2.gz XWHBBKYZURKRTE-UHFFFAOYSA-N 0 1 664.765 11.051 50 0 KKAAMN COc1ccc(-c2nc(-c3ccc4oc5ccc(-c6nc(-c7ccc(OC)cc7)[nH]c6-c6ccccc6)cc5c4c3)c(-c3ccccc3)[nH]2)cc1 ZINC000150387625 571470224 /nfs/dbraw/zinc/47/02/24/571470224.db2.gz XWHBBKYZURKRTE-UHFFFAOYSA-N 0 1 664.765 11.051 50 0 KKAAMN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000150390586 571472877 /nfs/dbraw/zinc/47/28/77/571472877.db2.gz NDWMCSQZLFYRPI-SSEXGKCCSA-N 0 1 648.229 5.056 50 0 KKAAMN CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCCN3CCN(c4cccc(Cl)c4)CC3)C2=S)cc1 ZINC000150396370 571476461 /nfs/dbraw/zinc/47/64/61/571476461.db2.gz TXZUBJCYGZJXDA-GDLZYMKVSA-N 0 1 652.192 5.199 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCCN2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000150396378 571476471 /nfs/dbraw/zinc/47/64/71/571476471.db2.gz AQLXOFSQHSSAAU-HKBQPEDESA-N 0 1 650.245 5.681 50 0 KKAAMN O=C(C[C@@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1CCCN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(Cl)cc1 ZINC000150397354 571476961 /nfs/dbraw/zinc/47/69/61/571476961.db2.gz SUOAIZDSYFILQK-HHHXNRCGSA-N 0 1 631.029 6.190 50 0 KKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000150398166 571477182 /nfs/dbraw/zinc/47/71/82/571477182.db2.gz VXCLEFJMMDPBFJ-LJJVSIPNSA-N 0 1 680.754 7.611 50 0 KKAAMN COc1ccc(Br)cc1[C@@H]1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)C(=O)N1c1ccc(C)c(F)c1 ZINC000150403252 571478591 /nfs/dbraw/zinc/47/85/91/571478591.db2.gz AEAJKSZKWQAAGI-YADHBBJMSA-N 0 1 647.111 7.272 50 0 KKAAMN Cc1cc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2ccc3c(c2)OCO3)ccc1Br ZINC000150403240 571478605 /nfs/dbraw/zinc/47/86/05/571478605.db2.gz ANMOMCZYUZRQSX-FGZHOGPDSA-N 0 1 643.104 6.853 50 0 KKAAMN COc1cc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cccc(Cl)c2C)cc(OC)c1OC ZINC000150403389 571478740 /nfs/dbraw/zinc/47/87/40/571478740.db2.gz KDPYOPGPXPCHIT-PKTZIBPZSA-N 0 1 644.722 7.041 50 0 KKAAMN COc1ccc(-c2nc(-c3ccc(Oc4ccc(-c5[nH]c(-c6ccc(OC)cc6)nc5-c5ccccc5)cc4)cc3)c(-c3ccccc3)[nH]2)cc1 ZINC000150405996 571479501 /nfs/dbraw/zinc/47/95/01/571479501.db2.gz WVNUIJFNHGKFHD-UHFFFAOYSA-N 0 1 666.781 10.944 50 0 KKAAMN COc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Oc4ccc(-c5[nH]c(-c6ccc(OC)cc6)nc5-c5ccccc5)cc4)cc3)[nH]2)cc1 ZINC000150405996 571479503 /nfs/dbraw/zinc/47/95/03/571479503.db2.gz WVNUIJFNHGKFHD-UHFFFAOYSA-N 0 1 666.781 10.944 50 0 KKAAMN CCN(CC)c1ccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1S(=O)(=O)Nc1ccccc1OC ZINC000150407612 571480147 /nfs/dbraw/zinc/48/01/47/571480147.db2.gz BHJUMDHRVZDVFI-UHFFFAOYSA-N 0 1 666.822 5.493 50 0 KKAAMN COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4cc(OC)c(OC)c(OC)c4)C3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000150410312 571482645 /nfs/dbraw/zinc/48/26/45/571482645.db2.gz MPJYHPGQIDHCQO-YUXVDHEWSA-N 0 1 740.806 7.628 50 0 KKAAMN CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCCN3CCN(Cc4ccccc4)CC3)C2=S)cc1 ZINC000150414254 571484915 /nfs/dbraw/zinc/48/49/15/571484915.db2.gz WAOFNTRPZKUUCW-PMERELPUSA-N 0 1 648.229 5.056 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCCN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000150414315 571484929 /nfs/dbraw/zinc/48/49/29/571484929.db2.gz CNBMWNUQNYTYSN-YTTGMZPUSA-N 0 1 647.817 5.556 50 0 KKAAMN CC(C)N1C(=O)C(Nc2ccc(Br)cc2)=C(Sc2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)C1=O ZINC000150424745 571489359 /nfs/dbraw/zinc/48/93/59/571489359.db2.gz TYFRGDIIBPQQTO-UHFFFAOYSA-N 0 1 641.396 6.750 50 0 KKAAMN COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](c4cc(OC)c(OC)c(OC)c4)C3)[C@H]2c2cccc(F)c2)cc(OC)c1OC ZINC000150439522 571497364 /nfs/dbraw/zinc/49/73/64/571497364.db2.gz UCTLPMCGKXJLHF-VXJJZJMSSA-N 0 1 668.718 7.741 50 0 KKAAMN O=C1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@H](c2ccc3c(c2)OCO3)N1c1ccc(Br)cc1 ZINC000150449106 571501729 /nfs/dbraw/zinc/50/17/29/571501729.db2.gz JQYNIJWAMISWNP-SFTDATJTSA-N 0 1 629.077 6.544 50 0 KKAAMN O=C1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@@H](c2ccc3c(c2)OCO3)N1c1ccc(Br)cc1 ZINC000150449109 571501861 /nfs/dbraw/zinc/50/18/61/571501861.db2.gz JQYNIJWAMISWNP-NHCUHLMSSA-N 0 1 629.077 6.544 50 0 KKAAMN CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cccs2)[C@H]3c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 ZINC000150449409 571501963 /nfs/dbraw/zinc/50/19/63/571501963.db2.gz PFOKXASPPIPPQE-JLKRBFOBSA-N 0 1 660.924 11.210 50 0 KKAAMN COc1ccc(Br)cc1[C@@H]1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)C(=O)N1c1ccc(Br)cc1 ZINC000150453531 571503572 /nfs/dbraw/zinc/50/35/72/571503572.db2.gz LCTLBAFFGVTLRX-RTWAWAEBSA-N 0 1 693.990 7.587 50 0 KKAAMN CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COC(=O)c1ccccc1NS(=O)(=O)c1cc(C(C)(C)C)ccc1C ZINC000150512848 571519959 /nfs/dbraw/zinc/51/99/59/571519959.db2.gz OQDKNLGYYKQYFB-UHFFFAOYSA-N 0 1 634.776 6.794 50 0 KKAAMN O=c1/c(=C\c2cc(Br)cc(Br)c2O)sc2n1[C@@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000150634719 571524263 /nfs/dbraw/zinc/52/42/63/571524263.db2.gz IOOBUGLLRRHISU-XOBACGFXSA-N 0 1 628.773 6.203 50 0 KKAAMN O=C(NCc1ccccc1F)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169681924 571557738 /nfs/dbraw/zinc/55/77/38/571557738.db2.gz CAUVRAMUISFTTM-BVAGGSTKSA-N 0 1 531.981 5.677 50 0 KKAAMN Cc1ccc(C)c(CN2c3cc(C(=O)NCCN4CCCC[C@H]4C)ccc3[S@@](=O)c3ccccc3C2=O)c1 ZINC000169778797 571560435 /nfs/dbraw/zinc/56/04/35/571560435.db2.gz QRYDFPQVLUNFAK-IJENORETSA-N 0 1 529.706 5.235 50 0 KKAAMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Sc3ccc(Br)cc3)cc2)c(OC)c1 ZINC000170626727 571563145 /nfs/dbraw/zinc/56/31/45/571563145.db2.gz DLKYYKPACVORRX-OAHLLOKOSA-N 0 1 551.484 5.386 50 0 KKAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2ccc(OCCc3ccccc3)c(OC)c2)cc1OC ZINC000263586808 572125397 /nfs/dbraw/zinc/12/53/97/572125397.db2.gz YEGAHYXUJBFZDH-QHCPKHFHSA-N 0 1 594.616 6.254 50 0 KKAAMN COc1ccccc1N1CCN([C@@H]2CC[N@H+](Cc3cccc(Cl)c3)C[C@@H]2CCC(=O)N2CCCCC2)CC1 ZINC000299800637 572138077 /nfs/dbraw/zinc/13/80/77/572138077.db2.gz HYLPBUJSXCPJON-XTEPFMGCSA-N 0 1 539.164 5.154 50 0 KKAAMN O=C(Oc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000226831990 572142917 /nfs/dbraw/zinc/14/29/17/572142917.db2.gz LMJKUQKVRQKBDU-OYUWMTPXSA-N 0 1 542.950 5.749 50 0 KKAAMN Cc1ccc(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000226913665 572145234 /nfs/dbraw/zinc/14/52/34/572145234.db2.gz ITEQSXGFUXVWLH-FFAHVWSXSA-N 0 1 516.622 5.913 50 0 KKAAMN 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 572147320 /nfs/dbraw/zinc/14/73/20/572147320.db2.gz RFPUSBURMCLQQW-ZXFZPVEDSA-N 0 1 590.701 6.320 50 0 KKAAMN CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227233389 572151080 /nfs/dbraw/zinc/15/10/80/572151080.db2.gz AKQDAIATEXOWTH-IRYJCKHSSA-N 0 1 567.129 7.271 50 0 KKAAMN COc1ccc(C(O)=C2[C@@H](C(=O)c3ccccc3)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227240401 572152427 /nfs/dbraw/zinc/15/24/27/572152427.db2.gz VIQSGCVZJLASTE-RCFASBGUSA-N 0 1 554.646 6.250 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@@H](C(=O)c3ccccc3)N3c4ccc(Cl)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227244156 572152698 /nfs/dbraw/zinc/15/26/98/572152698.db2.gz KBDZSYVWOIXFFL-RCFASBGUSA-N 0 1 573.092 7.149 50 0 KKAAMN O=C(c1ccccc1)[C@@H]1C(=C(O)c2ccc(F)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000229620828 572157705 /nfs/dbraw/zinc/15/77/05/572157705.db2.gz JCYGMPZIRVWNQW-CILKRHGOSA-N 0 1 514.556 5.682 50 0 KKAAMN Cc1ccc2nc(SCC(=O)N3N=C4C(=Cc5cccs5)CCC[C@@H]4[C@@H]3c3cccs3)[nH]c2c1 ZINC000229780097 572160007 /nfs/dbraw/zinc/16/00/07/572160007.db2.gz OGJUTUCANNPELU-GLNXSMMLSA-N 0 1 504.706 6.910 50 0 KKAAMN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000229890168 572165635 /nfs/dbraw/zinc/16/56/35/572165635.db2.gz LWEZLELYEWSZIC-YUAOJYLXSA-N 0 1 589.489 6.614 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)[C@@H](C(=O)c2ccc(CC(C)C)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000229893798 572166141 /nfs/dbraw/zinc/16/61/41/572166141.db2.gz BLSQYLSYJNHYJG-TTWTZOLTSA-N 0 1 586.757 7.501 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2C(=C(O)c3ccc(F)cc3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N23)cc1 ZINC000229934566 572171076 /nfs/dbraw/zinc/17/10/76/572171076.db2.gz OMWRNGACGBMPBK-BSYZOHBLSA-N 0 1 556.637 6.689 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(=C(O)c1ccc(CC(C)C)cc1)[C@]21C(=O)Nc2ccccc21 ZINC000229979630 572176727 /nfs/dbraw/zinc/17/67/27/572176727.db2.gz QYLVZMIETVLXEO-IIVVFBBSSA-N 0 1 566.701 7.131 50 0 KKAAMN Oc1c2c(c(O)n1-c1ccc(Cl)c(Cl)c1)[C@@H](c1cc3ccccc3nc1Cl)N(c1ccccc1)O2 ZINC000229990522 572177154 /nfs/dbraw/zinc/17/71/54/572177154.db2.gz BVKLXVDDFCVWMA-YTFSRNRJSA-N 0 1 524.791 6.246 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2C(=C(O)c3ccc(OC)cc3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4ccccc4N32)cc1 ZINC000230024821 572179526 /nfs/dbraw/zinc/17/95/26/572179526.db2.gz ATZUGKXQINDWCH-BSYZOHBLSA-N 0 1 570.645 5.950 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c2ccc(Cl)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000230202705 572185394 /nfs/dbraw/zinc/18/53/94/572185394.db2.gz BHYUNAMVVSPDAI-ZPBGSLHZSA-N 0 1 539.075 6.627 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(=C(O)c1ccccc1)[C@@]21C(=O)Nc2ccccc21 ZINC000230202645 572185481 /nfs/dbraw/zinc/18/54/81/572185481.db2.gz VEHPXVNIMUZWOI-DCMQHHMNSA-N 0 1 510.593 5.933 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2C(=C(O)c3ccccc3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4ccccc4N32)cc1 ZINC000230199856 572185571 /nfs/dbraw/zinc/18/55/71/572185571.db2.gz CYZCJQRBAXQVNH-XYIJYTLJSA-N 0 1 540.619 5.941 50 0 KKAAMN O=C(c1ccccc1F)[C@@H]1C(=C(O)c2ccc(F)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000245240174 572213740 /nfs/dbraw/zinc/21/37/40/572213740.db2.gz MIISEJWQKNWLNG-CILKRHGOSA-N 0 1 532.546 5.821 50 0 KKAAMN O=C(c1cccs1)[C@@H]1C(=C(O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000245240277 572213742 /nfs/dbraw/zinc/21/37/42/572213742.db2.gz PIVQSAQTISNSTM-OVDFTCDZSA-N 0 1 537.040 6.258 50 0 KKAAMN 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 572217152 /nfs/dbraw/zinc/21/71/52/572217152.db2.gz BWEQFPMJXCVAOS-ACIRYHQQSA-N 0 1 559.493 6.972 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2[C@H](C(C)=O)N3c4ccc5ccccc5c4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000245246858 572220332 /nfs/dbraw/zinc/22/03/32/572220332.db2.gz PVSVFJJTMSKTFU-ZGDGUDBWSA-N 0 1 514.581 5.411 50 0 KKAAMN Cc1ccc(Oc2c(CN(C[C@@H](O)COCC(C)C)C[C@H]3CCCO3)c(-c3ccccc3)nn2C)cc1 ZINC000245279956 572224557 /nfs/dbraw/zinc/22/45/57/572224557.db2.gz LAUGOIOKYRAZNE-XNMGPUDCSA-N 0 1 507.675 5.202 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccc(Cl)cc1)C(=C(O)c1ccccc1)[C@]21C(=O)Nc2ccccc21 ZINC000245309154 572227149 /nfs/dbraw/zinc/22/71/49/572227149.db2.gz BRXVSJPHZYSPQO-YUAOJYLXSA-N 0 1 545.038 6.586 50 0 KKAAMN Cc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3Cl)N3c4ccccc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245310286 572227981 /nfs/dbraw/zinc/22/79/81/572227981.db2.gz HYGQBWAFLZQCDN-IANDGLOUSA-N 0 1 545.038 6.505 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2C(=C(O)c3cccnc3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000245311126 572228603 /nfs/dbraw/zinc/22/86/03/572228603.db2.gz MPYXLRDDQSGUAQ-OLBUMSFYSA-N 0 1 539.635 5.945 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccccc2)[C@@]12C(=O)Nc1ccccc12 ZINC000245310705 572228671 /nfs/dbraw/zinc/22/86/71/572228671.db2.gz KBXMLDLMDMWVHZ-DDWAFBAVSA-N 0 1 524.620 6.241 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245312336 572229992 /nfs/dbraw/zinc/22/99/92/572229992.db2.gz UNNOOPIXWZNMAT-PJGOFDOSSA-N 0 1 532.621 5.613 50 0 KKAAMN CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C=C[C@@H]3[C@]23c2ccccc2NC3=O)cc1 ZINC000245312802 572230157 /nfs/dbraw/zinc/23/01/57/572230157.db2.gz XHVBRGNDWWRRBB-IRYJCKHSSA-N 0 1 532.684 6.536 50 0 KKAAMN CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C=C[C@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000245312801 572230194 /nfs/dbraw/zinc/23/01/94/572230194.db2.gz XHVBRGNDWWRRBB-BCHNEZAYSA-N 0 1 532.684 6.536 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccc(Cl)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4cc(C)ccc4N32)c1 ZINC000245324869 572230816 /nfs/dbraw/zinc/23/08/16/572230816.db2.gz BFKUDOCGLQITML-HXBWQCRLSA-N 0 1 589.091 6.903 50 0 KKAAMN Cc1ccc(C(O)=C2[C@@H](C(=O)c3ccccc3Cl)N3c4ccccc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245325263 572231409 /nfs/dbraw/zinc/23/14/09/572231409.db2.gz DNYVYVFATVMBQS-DDWAFBAVSA-N 0 1 559.065 6.895 50 0 KKAAMN CCCCOc1ccc(C(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000245343695 572239820 /nfs/dbraw/zinc/23/98/20/572239820.db2.gz WRQAGDADNSFIDQ-SLGOVJDISA-N 0 1 563.739 5.777 50 0 KKAAMN O=C(NCc1ccc(Cl)cc1)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247473603 572242357 /nfs/dbraw/zinc/24/23/57/572242357.db2.gz GJGLIWOKJLUHIJ-HXUWFJFHSA-N 0 1 537.889 5.970 50 0 KKAAMN O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247504662 572242935 /nfs/dbraw/zinc/24/29/35/572242935.db2.gz RDXQSARHZNOSNV-QGZVFWFLSA-N 0 1 558.307 6.946 50 0 KKAAMN O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247513861 572242979 /nfs/dbraw/zinc/24/29/79/572242979.db2.gz UWDNTDRSSSSAHO-OAQYLSRUSA-N 0 1 551.916 6.012 50 0 KKAAMN O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247739846 572244072 /nfs/dbraw/zinc/24/40/72/572244072.db2.gz NFRRAOIOKKXVDM-GOSISDBHSA-N 0 1 568.313 6.401 50 0 KKAAMN O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247743898 572244366 /nfs/dbraw/zinc/24/43/66/572244366.db2.gz PGVMPDSGAYWRRB-GOSISDBHSA-N 0 1 568.313 6.401 50 0 KKAAMN O=C(c1ccc(F)cc1)N1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000247794137 572245021 /nfs/dbraw/zinc/24/50/21/572245021.db2.gz BPOVVMXACUNIOC-QHCPKHFHSA-N 0 1 604.524 5.124 50 0 KKAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000247808012 572245379 /nfs/dbraw/zinc/24/53/79/572245379.db2.gz CKUYAYBACIZZMA-XMMPIXPASA-N 0 1 562.545 5.952 50 0 KKAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000247843255 572246038 /nfs/dbraw/zinc/24/60/38/572246038.db2.gz GEGYXXFPPKOILD-JOCHJYFZSA-N 0 1 592.969 6.002 50 0 KKAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccccc2F)CC1 ZINC000247839430 572246085 /nfs/dbraw/zinc/24/60/85/572246085.db2.gz DZOJIUBDBADWPU-XMMPIXPASA-N 0 1 546.090 5.438 50 0 KKAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000247866858 572246857 /nfs/dbraw/zinc/24/68/57/572246857.db2.gz OYLRIMMTMJXKSV-JOCHJYFZSA-N 0 1 626.521 6.368 50 0 KKAAMN O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000247875870 572247499 /nfs/dbraw/zinc/24/74/99/572247499.db2.gz NWHZGQIHQJPDQE-NRFANRHFSA-N 0 1 655.424 6.291 50 0 KKAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000247881133 572247845 /nfs/dbraw/zinc/24/78/45/572247845.db2.gz VOISHMBYMGGCSQ-NRFANRHFSA-N 0 1 627.414 6.656 50 0 KKAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000247881349 572247926 /nfs/dbraw/zinc/24/79/26/572247926.db2.gz VSTNZVKJBSORHU-JOCHJYFZSA-N 0 1 592.969 6.002 50 0 KKAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccccc2Cl)CC1 ZINC000247886022 572248352 /nfs/dbraw/zinc/24/83/52/572248352.db2.gz XASKZFJFCPBLEN-JOCHJYFZSA-N 0 1 532.063 5.379 50 0 KKAAMN Cc1ccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)c(C)c1 ZINC000247895521 572248816 /nfs/dbraw/zinc/24/88/16/572248816.db2.gz XGSWPXZTRYBFCW-RUZDIDTESA-N 0 1 525.672 5.342 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1OC ZINC000247942076 572250241 /nfs/dbraw/zinc/25/02/41/572250241.db2.gz XKCBLYFUOBLWCL-ZPNDBRHUSA-N 0 1 556.618 5.560 50 0 KKAAMN Cc1cccc(CNC(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)c1 ZINC000247948240 572250275 /nfs/dbraw/zinc/25/02/75/572250275.db2.gz XGINBDOLEJQQDD-JOCHJYFZSA-N 0 1 517.471 5.625 50 0 KKAAMN CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1cc(C(F)(F)F)ccc1N1CCN(Cc3ccccc3)C[C@H]12 ZINC000248009362 572252302 /nfs/dbraw/zinc/25/23/02/572252302.db2.gz IQGLJKGZLRIGOW-XTEPFMGCSA-N 0 1 539.001 6.015 50 0 KKAAMN CC(C)n1c2ccccc2nc1CN1CCC[C@@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000248007132 572252377 /nfs/dbraw/zinc/25/23/77/572252377.db2.gz PUCQXIMKHXFUNT-OAQYLSRUSA-N 0 1 513.608 5.197 50 0 KKAAMN CC(C)n1c2ccccc2nc1CN1CCC[C@H](C(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)C1 ZINC000248033266 572252791 /nfs/dbraw/zinc/25/27/91/572252791.db2.gz YHAJZGRGDPSNIC-FQEVSTJZSA-N 0 1 514.501 5.485 50 0 KKAAMN Cc1cccc(CCNC(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)c1 ZINC000248109823 572253828 /nfs/dbraw/zinc/25/38/28/572253828.db2.gz QKNKDAPOYZFZPI-QHCPKHFHSA-N 0 1 531.498 5.667 50 0 KKAAMN Cc1cccc(CCNC(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)c1 ZINC000248122138 572254256 /nfs/dbraw/zinc/25/42/56/572254256.db2.gz VMDRETHVBJPCLJ-QHCPKHFHSA-N 0 1 531.498 5.667 50 0 KKAAMN COc1ccc(NC(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1 ZINC000248125588 572254379 /nfs/dbraw/zinc/25/43/79/572254379.db2.gz 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CCCc1ccc(NC(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1 ZINC000253607218 572300894 /nfs/dbraw/zinc/30/08/94/572300894.db2.gz CAUSFYGABPVROI-QFIPXVFZSA-N 0 1 531.498 6.591 50 0 KKAAMN CCCc1ccccc1NC(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000253607546 572301045 /nfs/dbraw/zinc/30/10/45/572301045.db2.gz WCEWYHQHGVRDEW-JOCHJYFZSA-N 0 1 531.498 6.591 50 0 KKAAMN O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000253615526 572301377 /nfs/dbraw/zinc/30/13/77/572301377.db2.gz LWTSUQWMURCHJI-OAQYLSRUSA-N 0 1 655.424 6.291 50 0 KKAAMN O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000253615526 572301378 /nfs/dbraw/zinc/30/13/78/572301378.db2.gz LWTSUQWMURCHJI-OAQYLSRUSA-N 0 1 655.424 6.291 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C(=O)Nc3ccc4nc(C(C)C)[nH]c4c3)C(C)C)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409414585 1069811472 /nfs/dbraw/zinc/81/14/72/1069811472.db2.gz MYJVVGABLMPTSD-NLGDKJDOSA-N 0 1 641.769 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O=C(c1ccccc1F)[C@@H]1C(=C(O)c2ccc3c(c2)OCO3)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000588106663 1071168377 /nfs/dbraw/zinc/16/83/77/1071168377.db2.gz QLGRIRDUKWOJIW-WFPUBZAHSA-N 0 1 558.565 5.411 50 0 KKAAMN Cc1oc(-c2ccc(C)cc2)nc1CN1CCC(C(=O)N2CCC(C)(c3noc(-c4ccncc4)n3)CC2)CC1 ZINC000169784521 1071186395 /nfs/dbraw/zinc/18/63/95/1071186395.db2.gz LDFGZYUQVGADPH-UHFFFAOYSA-N 0 1 540.668 5.196 50 0 KKAAMN Cc1oc(-c2cccc(C)c2)nc1CN1CCC(C(=O)N2CCC(c3nc(C(=O)N4CCCC4)c(C)o3)CC2)CC1 ZINC000169784071 1071186425 /nfs/dbraw/zinc/18/64/25/1071186425.db2.gz XDVGFMOSSRZQPN-UHFFFAOYSA-N 0 1 559.711 5.109 50 0 KKAAMN O=C(Cc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2nccc(/C=C\c3ccccc3Cl)n2)cc1 ZINC000033355135 1071195622 /nfs/dbraw/zinc/19/56/22/1071195622.db2.gz NBIRYXCSFQUMCT-YFHOEESVSA-N 0 1 539.444 5.936 50 0 KKAAMN O=C(c1cncs1)N1CCCC[C@@H]1CCOc1cccc(CN2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000014981020 1071245363 /nfs/dbraw/zinc/24/53/63/1071245363.db2.gz NVEDLDMKLGJQHL-XMMPIXPASA-N 0 1 525.118 5.583 50 0 KKAAMN Cn1ccc(CC(=O)N2CCCC[C@H]2CCOc2cccc(CN3CCN(c4cccc(Cl)c4)CC3)c2)c1 ZINC000014989730 1071246262 /nfs/dbraw/zinc/24/62/62/1071246262.db2.gz QWTLHHXHGBJHTI-NDEPHWFRSA-N 0 1 535.132 5.393 50 0 KKAAMN Cc1ccc(C)c(-c2csc(N[P@@](=O)(/C=C(/Cl)c3ccccc3)/C=C(\Cl)c3ccccc3)n2)c1 ZINC000108603890 1071340145 /nfs/dbraw/zinc/34/01/45/1071340145.db2.gz ZXGRMIPFSSRFND-DRPBVWSQSA-N 0 1 525.441 9.592 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)/C=C\c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)ccc1N1CCCC1 ZINC000158412172 1072828849 /nfs/dbraw/zinc/82/88/49/1072828849.db2.gz ZOPSUSHIGLXFBU-UYRXBGFRSA-N 0 1 677.801 5.833 50 0 KKAAMN CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1 ZINC000097970735 1072836928 /nfs/dbraw/zinc/83/69/28/1072836928.db2.gz AUAOQHKWVRBZHW-JGCGQSQUSA-N 0 1 563.779 8.763 50 0 KKAAMN O=C(c1sc(N[P@](=O)(/C=C(/Cl)c2ccccc2)/C=C(\Cl)c2ccccc2)nc1-c1ccccc1)c1ccccc1 ZINC000097984187 1072840271 /nfs/dbraw/zinc/84/02/71/1072840271.db2.gz LMZYOONLVGULQY-KKTFQPMKSA-N 0 1 601.495 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KKAAMN COc1cc(-c2nc(-c3ccccc3Br)c(-c3ccc(Br)cc3)[nH]2)cc(OC)c1OC ZINC000006458884 552590065 /nfs/dbraw/zinc/59/00/65/552590065.db2.gz BYPIBZXQOORLSN-UHFFFAOYSA-N 0 1 544.243 6.962 50 0 KKAAMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1 ZINC000008384402 552989359 /nfs/dbraw/zinc/98/93/59/552989359.db2.gz IJHFNSVUYNOZPL-UHFFFAOYSA-N 0 1 614.145 5.676 50 0 KKAAMN O=c1/c(=C\c2cc(Cl)cc(Cl)c2O)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000008417926 553013045 /nfs/dbraw/zinc/01/30/45/553013045.db2.gz FWVYMZXRYVJDSE-JGZDWKDESA-N 0 1 511.455 5.393 50 0 KKAAMN CCN(CC)CC(=O)N1N=C(c2c(=O)[nH]c3ccc(Br)cc3c2-c2ccccc2)C[C@H]1c1ccc(Br)cc1 ZINC000008434883 553029064 /nfs/dbraw/zinc/02/90/64/553029064.db2.gz AUPYLVQVLTXCGR-SANMLTNESA-N 0 1 636.388 6.740 50 0 KKAAMN O=c1/c(=C\c2cc(Cl)cc(Cl)c2O)sc2n1[C@H](c1ccc(Cl)cc1Cl)C1=C(N=2)c2ccccc2CC1 ZINC000008441889 553042720 /nfs/dbraw/zinc/04/27/20/553042720.db2.gz JNLPMLOGDRHXTE-OINADKTASA-N 0 1 574.316 6.638 50 0 KKAAMN Cc1cccc(-n2ncc(C(=O)N3CCN(C4CCCCC4)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000008597922 553094391 /nfs/dbraw/zinc/09/43/91/553094391.db2.gz ZBTDBDOWWZQJOO-UHFFFAOYSA-N 0 1 535.733 5.386 50 0 KKAAMN CCc1cc([C@@H](c2cccc(F)c2)N2CCC(Cc3ccccc3)CC2)c(NC(=O)c2ccccc2)s1 ZINC000008763667 553137742 /nfs/dbraw/zinc/13/77/42/553137742.db2.gz BWBFGVZUHJHYIL-SSEXGKCCSA-N 0 1 512.694 7.746 50 0 KKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(Cl)c(C)cc4O)c3[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000008845166 553165506 /nfs/dbraw/zinc/16/55/06/553165506.db2.gz TZDWLYWUNIYXCU-SANMLTNESA-N 0 1 508.405 6.194 50 0 KKAAMN CCOc1ccc([C@@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000008845211 553165593 /nfs/dbraw/zinc/16/55/93/553165593.db2.gz MLQLLSOKYUJKMD-MUUNZHRXSA-N 0 1 518.013 5.939 50 0 KKAAMN CCOc1cc([C@@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2Cc2ccc(F)cc2)ccc1O ZINC000008845499 553165786 /nfs/dbraw/zinc/16/57/86/553165786.db2.gz LAQRVSRQBZQCPK-AREMUKBSSA-N 0 1 507.949 5.733 50 0 KKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N21 ZINC000009088318 553208902 /nfs/dbraw/zinc/20/89/02/553208902.db2.gz GKISSFMKIWYFDS-GSTLAZBSSA-N 0 1 517.412 5.864 50 0 KKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(Cl)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3c4ccccc4ccc3N21 ZINC000009111267 553210269 /nfs/dbraw/zinc/21/02/69/553210269.db2.gz NGUMLAHLDICPQS-SVYISMGTSA-N 0 1 519.000 6.055 50 0 KKAAMN CCc1ccc([C@@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000009123942 553212544 /nfs/dbraw/zinc/21/25/44/553212544.db2.gz BNODCUSTPJMODB-GDLZYMKVSA-N 0 1 511.622 5.767 50 0 KKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(C)cc(C)c4O)c3[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000009123992 553212765 /nfs/dbraw/zinc/21/27/65/553212765.db2.gz VKVSZPROIHZFNI-HHHXNRCGSA-N 0 1 518.013 5.858 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(Cc5ccccc5)nc4c32)cc1 ZINC000009210554 553220901 /nfs/dbraw/zinc/22/09/01/553220901.db2.gz LHZMPDXLEQSQKP-AREMUKBSSA-N 0 1 500.562 5.504 50 0 KKAAMN COc1cccc2c1OC1(CCN(Cc3ccccc3)CC1)N1N=C(c3ccc(Br)cc3)C[C@@H]21 ZINC000009216666 553221731 /nfs/dbraw/zinc/22/17/31/553221731.db2.gz MZOJXXWNQSEXTR-VWLOTQADSA-N 0 1 518.455 5.994 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5cccc(C)c5)nc4c32)cc1 ZINC000009216297 553221753 /nfs/dbraw/zinc/22/17/53/553221753.db2.gz MYUXMRGFPRDPEF-RUZDIDTESA-N 0 1 500.562 5.888 50 0 KKAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@H](c2ccc(Br)cc2)N(Cc2cccnc2)C3=O)cc1Cl ZINC000009243324 553226783 /nfs/dbraw/zinc/22/67/83/553226783.db2.gz VRICVKJQXOAYBY-QHCPKHFHSA-N 0 1 509.791 5.647 50 0 KKAAMN CCOc1cc([C@@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2Cc2ccc(C)cc2)ccc1O ZINC000009243649 553226824 /nfs/dbraw/zinc/22/68/24/553226824.db2.gz JAZKBTOPMCOZHB-HHHXNRCGSA-N 0 1 503.986 5.902 50 0 KKAAMN CN1CCN(c2ccccc2NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)[C@@H]2c2cccs2)CC1 ZINC000009407211 553256833 /nfs/dbraw/zinc/25/68/33/553256833.db2.gz UIIJHNXJGYOHPP-VSGBNLITSA-N 0 1 514.695 5.362 50 0 KKAAMN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2N2CCN(C)CC2)[C@@H]1c1cccs1 ZINC000009407162 553256843 /nfs/dbraw/zinc/25/68/43/553256843.db2.gz JFCRYKAWSJNCRD-SVBPBHIXSA-N 0 1 502.684 5.075 50 0 KKAAMN CCc1ccc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCc2ccc(OC)cc2)cc1 ZINC000009446411 553265516 /nfs/dbraw/zinc/26/55/16/553265516.db2.gz FNYXOXDQQPHAKX-NDEPHWFRSA-N 0 1 502.014 6.103 50 0 KKAAMN COc1ccccc1-c1nc2c3c(ncn2n1)Oc1c(c(C)nn1-c1ccccc1)C3c1ccccc1OC ZINC000009488141 553273027 /nfs/dbraw/zinc/27/30/27/553273027.db2.gz UNQUYQLBAIEKBG-RUZDIDTESA-N 0 1 516.561 5.589 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccc(Cl)cc5)nc4c32)cc1 ZINC000009583951 553282414 /nfs/dbraw/zinc/28/24/14/553282414.db2.gz FUXKPVYECJUFJW-XMMPIXPASA-N 0 1 520.980 6.233 50 0 KKAAMN Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(C)c1CCC(=O)Nc1ccc2nc(-c3cccnc3)[nH]c2c1 ZINC000009609593 553287935 /nfs/dbraw/zinc/28/79/35/553287935.db2.gz KQVSSWVZVHYXPY-UHFFFAOYSA-N 0 1 522.012 6.176 50 0 KKAAMN Cc1oc(-c2cccc(Br)c2)nc1CN1CCC(C(=O)NCCCSC2CCCCC2)CC1 ZINC000009731788 553302667 /nfs/dbraw/zinc/30/26/67/553302667.db2.gz QOXJYUFONYQHHH-UHFFFAOYSA-N 0 1 534.564 6.197 50 0 KKAAMN CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)CC1 ZINC000009907999 553316518 /nfs/dbraw/zinc/31/65/18/553316518.db2.gz RJBLPOMXXRBNEE-UHFFFAOYSA-N 0 1 502.398 5.434 50 0 KKAAMN Cc1cccc(N2CCN(Cc3cc(-c4cccs4)ccc3OCC(=O)N(C)CCc3ccccn3)CC2)c1C ZINC000011790456 553343269 /nfs/dbraw/zinc/34/32/69/553343269.db2.gz AOSRNJBDZWJSML-UHFFFAOYSA-N 0 1 554.760 5.829 50 0 KKAAMN Cc1nn(C)c(C)c1[C@@H](C)N(C)Cc1cc2cc3c(cc2n(Cc2cc4c(cc2Cl)OCO4)c1=O)CCC3 ZINC000011910464 553348749 /nfs/dbraw/zinc/34/87/49/553348749.db2.gz ZFIBLSAZSVUPLQ-GOSISDBHSA-N 0 1 533.072 5.464 50 0 KKAAMN COc1ccc(-c2[nH]nc3c2[C@H](c2ccc(O)c(OC)c2)N(CCc2c[nH]c4ccc(OC)cc24)C3=O)cc1 ZINC000012323874 553358334 /nfs/dbraw/zinc/35/83/34/553358334.db2.gz CDXBLKAUJUIPCR-LJAQVGFWSA-N 0 1 524.577 5.077 50 0 KKAAMN COc1ccc(Nc2ccc(NC(=O)c3cc(S(=O)(=O)Nc4ccccc4OC)ccc3C)cc2)cc1 ZINC000012582619 553399250 /nfs/dbraw/zinc/39/92/50/553399250.db2.gz BCRMLYZRYYTCNR-UHFFFAOYSA-N 0 1 517.607 5.809 50 0 KKAAMN COc1ccccc1N1CCN(C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000012600324 553401399 /nfs/dbraw/zinc/40/13/99/553401399.db2.gz YJUXMKPPZOKJNL-DEOSSOPVSA-N 0 1 501.454 5.291 50 0 KKAAMN COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)N[C@@H]3CCCc4ccccc43)ccc2C)cc1Cl ZINC000012634728 553406307 /nfs/dbraw/zinc/40/63/07/553406307.db2.gz DXQBGOYRZPJXNC-OAQYLSRUSA-N 0 1 515.031 5.274 50 0 KKAAMN COc1cc2nc(SCc3ccc(Cl)c(Cl)c3)n3c(CC4CCCCC4)c(O)nc3c2cc1OC ZINC000012951474 553428611 /nfs/dbraw/zinc/42/86/11/553428611.db2.gz CCVSLDOAIKXZFA-NRFANRHFSA-N 0 1 532.493 6.873 50 0 KKAAMN COc1cc2nc(SCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n3c(Cc4ccccc4)c(O)nc3c2cc1OC ZINC000012951545 553428691 /nfs/dbraw/zinc/42/86/91/553428691.db2.gz NSISPBRRCWNLLL-NRFANRHFSA-N 0 1 593.549 6.876 50 0 KKAAMN O=c1c(Cc2ccc(Cl)cc2Cl)c(O)ccn1-c1cccc(Oc2ncc(C(F)(F)F)cc2Cl)c1 ZINC000012957120 553429882 /nfs/dbraw/zinc/42/98/82/553429882.db2.gz UPQHKBJQOCLPNN-UHFFFAOYSA-N 0 1 541.740 7.300 50 0 KKAAMN COc1ccc([C@H](CNC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)N2CCCCC2)cc1 ZINC000013134282 553452134 /nfs/dbraw/zinc/45/21/34/553452134.db2.gz YUTZVELKXCSQGA-SANMLTNESA-N 0 1 513.465 6.538 50 0 KKAAMN Brc1ccc(N=[P@](c2ccccc2)([C@H]2CCCC=C2N2CCOCC2)N2CCOCC2)cc1 ZINC000013301185 553457827 /nfs/dbraw/zinc/45/78/27/553457827.db2.gz BHWBEBOUVXNHCN-UBOZLPQGSA-N 0 1 530.447 5.623 50 0 KKAAMN COc1cc(-c2nc(-c3ccccc3)c(-c3ccc(-c4ccccc4)cc3)[nH]2)ccc1OCc1ccccc1 ZINC000013645704 553479830 /nfs/dbraw/zinc/47/98/30/553479830.db2.gz WQJRDFXSNGEFPT-UHFFFAOYSA-N 0 1 508.621 8.665 50 0 KKAAMN Cc1cc(C)n(Cc2cccc(C(=O)N3CCC(Oc4cccc(CN(C)Cc5ccoc5)c4)CC3)c2)n1 ZINC000014991293 553523768 /nfs/dbraw/zinc/52/37/68/553523768.db2.gz OVTQEDOVGAPPKI-UHFFFAOYSA-N 0 1 512.654 5.457 50 0 KKAAMN Cc1cc(CNC(=O)COc2ccc(-c3cccs3)cc2CN2CCN(c3cccc(C)c3C)CC2)on1 ZINC000014997957 553524598 /nfs/dbraw/zinc/52/45/98/553524598.db2.gz DXZOJQFBYFUJSP-UHFFFAOYSA-N 0 1 530.694 5.346 50 0 KKAAMN CC(C)(C)C(=O)[C@@H]1[C@H](C(=O)c2ccc3c(c2)OCO3)[C@@]2(c3ccccc3NC2=O)[C@@H]2C=Cc3ccccc3N21 ZINC000016038415 553552603 /nfs/dbraw/zinc/55/26/03/553552603.db2.gz GURBPAKAZJMRTE-ACIRYHQQSA-N 0 1 520.585 5.004 50 0 KKAAMN O=C(Nc1ccccc1)[C@H]1[C@@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000016041059 553552878 /nfs/dbraw/zinc/55/28/78/553552878.db2.gz VPSLASCOTOGLRD-UHLQNUQBSA-N 0 1 511.581 5.299 50 0 biogenic KKAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@@H](c2cccc(OCCC(C)C)c2)N(Cc2cccnc2)C3=O)cc1Cl ZINC000016971895 553585600 /nfs/dbraw/zinc/58/56/00/553585600.db2.gz GRGYNPLUCYHXNZ-MUUNZHRXSA-N 0 1 517.029 6.309 50 0 KKAAMN COc1ccc(C(O)=C2[C@@H](C(=O)c3ccccc3)N3c4ccc(C)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000070686629 553605291 /nfs/dbraw/zinc/60/52/91/553605291.db2.gz CNEFDFJDDGBDOU-ZXFZPVEDSA-N 0 1 540.619 5.860 50 0 biogenic KKAAMN COc1cccc(C(O)=C2[C@@H](C(=O)c3ccccc3)N3c4ccc(C)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000070687027 553605822 /nfs/dbraw/zinc/60/58/22/553605822.db2.gz VNOIVEWDDWVQHM-ZXFZPVEDSA-N 0 1 540.619 5.860 50 0 biogenic KKAAMN Cc1ccc2c(c1)N1[C@H](C=C2)[C@@]2(C(=O)Nc3ccccc32)C(=C(O)c2ccc3c(c2)OCO3)[C@H]1C(=O)c1ccccc1 ZINC000070687598 553606979 /nfs/dbraw/zinc/60/69/79/553606979.db2.gz ZBKAONJLZFUVIC-ZXFZPVEDSA-N 0 1 554.602 5.580 50 0 biogenic KKAAMN Cc1c(Cl)cccc1Nc1nc(N)nc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000019899213 553632558 /nfs/dbraw/zinc/63/25/58/553632558.db2.gz UVYMUTOHPNYIQC-UHFFFAOYSA-N 0 1 500.050 5.066 50 0 KKAAMN O=c1cc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2cc(O)c(-c3ccccc3)cc2o1 ZINC000020479288 553657745 /nfs/dbraw/zinc/65/77/45/553657745.db2.gz KMJQDIUEMINZGA-UHFFFAOYSA-N 0 1 502.614 6.073 50 0 KKAAMN COc1cc2c3c(c1O)-c1cc(OC)c(Oc4cc(OC)c(OC)cc4C[C@@H]4c5cc(OC)c(OC)cc5CCN4C)cc1C[C@H]3N(C)CC2 ZINC000082178497 553674535 /nfs/dbraw/zinc/67/45/35/553674535.db2.gz DRACRVAKPKYPSB-FQLXRVMXSA-N 0 1 682.814 6.760 50 0 KKAAMN C[C@H](NC(=O)CCCCCn1c(=O)c2cc(Br)ccc2[nH]c1=S)C12CC3CC(CC(C3)C1)C2 ZINC000020644218 553684043 /nfs/dbraw/zinc/68/40/43/553684043.db2.gz HHHSQWUJDKZNDS-BTVKBFDZSA-N 0 1 532.548 6.103 50 0 KKAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2ccc(OC(C)C)c(OC)c2)cc1 ZINC000085876395 553688919 /nfs/dbraw/zinc/68/89/19/553688919.db2.gz MAICOOPCACCBHY-IBGZPJMESA-N 0 1 502.519 5.411 50 0 biogenic KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)ccc1N1CCCCC1 ZINC000096022247 553720439 /nfs/dbraw/zinc/72/04/39/553720439.db2.gz SYBDMSQHWDYLAC-UHFFFAOYSA-N 0 1 582.792 5.516 50 0 KKAAMN Cc1ccc2c(c1)[C@]1(C(=O)N2)N2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@]12c1ccccc1NC2=O ZINC000096298527 553748500 /nfs/dbraw/zinc/74/85/00/553748500.db2.gz LMNHSJQJTVBJIC-VTVDOTNSSA-N 0 1 513.597 5.163 50 0 KKAAMN Cc1nc2sc([C@@H](c3cccs3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c([O-])n2n1 ZINC000022784348 553749817 /nfs/dbraw/zinc/74/98/17/553749817.db2.gz HVFTUPZVYMGFIW-XMMPIXPASA-N 0 1 501.681 5.363 50 0 KKAAMN CCCCCCOc1ccc(N2C(=O)C[C@H](N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2=O)cc1 ZINC000096562019 553755380 /nfs/dbraw/zinc/75/53/80/553755380.db2.gz YXWMTJHZUFDDAI-PMERELPUSA-N 0 1 525.693 5.685 50 0 KKAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cc(Cl)cc(Cl)c2OC)c1 ZINC000097947810 553788845 /nfs/dbraw/zinc/78/88/45/553788845.db2.gz PIFQNSVTJVYAIK-UHFFFAOYSA-N 0 1 542.463 5.753 50 0 KKAAMN CCOc1ccc(-c2cc(C(=O)NCCCN3CCN(CCCNC(=O)c4cc(-c5ccc(OCC)cc5)nc5ccccc54)CC3)c3ccccc3n2)cc1 ZINC000097949294 553801151 /nfs/dbraw/zinc/80/11/51/553801151.db2.gz JJDOLYIBYXVIML-UHFFFAOYSA-N 0 1 750.944 7.472 50 0 KKAAMN COc1ccc2c(c1)CCc1c(-c3ccc(C(=O)NCCC(c4ccccc4)c4ccccc4)cc3)n[nH]c1-2 ZINC000025162252 553803206 /nfs/dbraw/zinc/80/32/06/553803206.db2.gz QHCBLTJKIROBAV-UHFFFAOYSA-N 0 1 513.641 6.803 50 0 KKAAMN O=C(Nc1cccc([C@@H]2NC[C@@H](c3ccccc3Cl)c3c4ccccc4[nH]c32)c1)c1ccc(Cl)cc1 ZINC000025462491 553809459 /nfs/dbraw/zinc/80/94/59/553809459.db2.gz WNWZXPIYKLTWKS-CUBQBAPOSA-N 0 1 512.440 7.552 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccccc5OC)nc4c32)cc1OC ZINC000097954077 553821308 /nfs/dbraw/zinc/82/13/08/553821308.db2.gz FWCHNWJMZHZLMT-AREMUKBSSA-N 0 1 546.587 5.597 50 0 KKAAMN COc1ccc(Cc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)C4c2ccccc2)cc1OC ZINC000097954706 553825043 /nfs/dbraw/zinc/82/50/43/553825043.db2.gz UCVNHNHFUZRCFK-HHHXNRCGSA-N 0 1 530.588 5.512 50 0 KKAAMN Cc1cccc2c1NC(=O)[C@@]21C(C(=O)c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2CCCN21 ZINC000097955167 553829393 /nfs/dbraw/zinc/82/93/93/553829393.db2.gz JRJCDJXJYQTVKJ-PJKQZJAASA-N 0 1 532.427 5.316 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccc(Cl)cc4)c3Oc3ncn4nc(-c5ccccc5O)nc4c32)cc1 ZINC000097956255 553837279 /nfs/dbraw/zinc/83/72/79/553837279.db2.gz XKIUFZYKHKTQDA-XMMPIXPASA-N 0 1 536.979 5.939 50 0 KKAAMN COc1ccccc1/C=C1/Sc2ccc(C(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)cc2N(C)C1=O ZINC000029749943 553853177 /nfs/dbraw/zinc/85/31/77/553853177.db2.gz UAMLDPACNHEPMS-ZTKZIYFRSA-N 0 1 577.150 5.400 50 0 KKAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)COc3cc(C)c(Br)cc3C(C)C)cc2)n1 ZINC000097959892 553867108 /nfs/dbraw/zinc/86/71/08/553867108.db2.gz DXFWYMQBXALIKZ-UHFFFAOYSA-N 0 1 547.475 5.106 50 0 KKAAMN O=C(CSc1nc2ccccc2o1)Nc1ccc(S(=O)(=O)Nc2nccc(/C=C/c3cccs3)n2)cc1 ZINC000097961133 553875351 /nfs/dbraw/zinc/87/53/51/553875351.db2.gz WPTWIKWJFRTOIF-JXMROGBWSA-N 0 1 549.659 5.381 50 0 KKAAMN O=C1[C@@H]2[C@H](C(=O)N1c1cccc(Cl)c1)[C@H](Cc1ccccc1)N[C@@]21c2ccccc2N(Cc2ccccc2)C1=O ZINC000033354997 553932668 /nfs/dbraw/zinc/93/26/68/553932668.db2.gz OUNJCHWZWVJYTM-VXMMQGHHSA-N 0 1 548.042 5.102 50 0 KKAAMN O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000033355696 553936325 /nfs/dbraw/zinc/93/63/25/553936325.db2.gz COUHLFJHQDMRMA-XZWHSSHBSA-N 0 1 560.739 5.439 50 0 KKAAMN COc1ccccc1Nc1c2cc(NC(=O)c3c(-c4ccco4)cnc4ccccc43)ccc2nc2c1CCCC2 ZINC000033356873 553945134 /nfs/dbraw/zinc/94/51/34/553945134.db2.gz MPDSXWXOXGKDPU-UHFFFAOYSA-N 0 1 540.623 7.926 50 0 KKAAMN O=C1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@@H](c2cccs2)N1c1ccc(Br)cc1 ZINC000033358458 553955729 /nfs/dbraw/zinc/95/57/29/553955729.db2.gz ZKOYIFLQLLXZRK-QZTJIDSGSA-N 0 1 591.097 6.877 50 0 KKAAMN COc1cccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2cccs2)c1 ZINC000033358453 553955825 /nfs/dbraw/zinc/95/58/25/553955825.db2.gz DMPYAINCYIWKBY-MOPGFXCFSA-N 0 1 542.227 6.123 50 0 KKAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2cccc(Br)c2)cc1Cl ZINC000033358498 553956263 /nfs/dbraw/zinc/95/62/63/553956263.db2.gz OFCLAKDNFAJCDX-LEWJYISDSA-N 0 1 633.540 7.777 50 0 KKAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2cccc(Br)c2)cc1Cl ZINC000033358501 553956308 /nfs/dbraw/zinc/95/63/08/553956308.db2.gz OFCLAKDNFAJCDX-RTWAWAEBSA-N 0 1 633.540 7.777 50 0 KKAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2cccc(Br)c2)cc1C ZINC000033358509 553956341 /nfs/dbraw/zinc/95/63/41/553956341.db2.gz XKWOSNLTBCBMJV-YADHBBJMSA-N 0 1 613.122 7.432 50 0 KKAAMN COc1ccc(CN2CCCN(c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cn3)CC2)c(OC)c1OC ZINC000034681646 553985120 /nfs/dbraw/zinc/98/51/20/553985120.db2.gz KLDXFAQWOMKYRV-UHFFFAOYSA-N 0 1 532.685 5.370 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ccccc3C)C2=O)c1 ZINC000097980470 553988934 /nfs/dbraw/zinc/98/89/34/553988934.db2.gz SOZYGKZUCGTTBM-NCELDCMTSA-N 0 1 539.613 5.444 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3cc(Cl)cc(Cl)c3)C2=O)c1 ZINC000097980488 553988962 /nfs/dbraw/zinc/98/89/62/553988962.db2.gz AYNPGORFBGNILF-KOEQRZSOSA-N 0 1 594.476 6.443 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1ccc(OC)c(NC=C2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)c3ccccc32)c1 ZINC000097980553 553989626 /nfs/dbraw/zinc/98/96/26/553989626.db2.gz QHXJQJRNKQHDGP-HKOYGPOVSA-N 0 1 623.609 6.163 50 0 KKAAMN O=C(c1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(Cl)cc1Cl)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000097980598 553989968 /nfs/dbraw/zinc/98/99/68/553989968.db2.gz LMGAMCSUBLSOJN-VMPITWQZSA-N 0 1 564.922 5.919 50 0 KKAAMN O=C(NC(=S)Nc1ccc(Cl)c(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccccc1Br ZINC000097982332 554001210 /nfs/dbraw/zinc/00/12/10/554001210.db2.gz PKRXDLAEXPVBQX-UHFFFAOYSA-N 0 1 559.294 5.684 50 0 KKAAMN O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000097982730 554005211 /nfs/dbraw/zinc/00/52/11/554005211.db2.gz YQWIZGVFFROWFK-UHFFFAOYSA-N 0 1 529.637 5.174 50 0 KKAAMN Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2N2CCOCC2)c1 ZINC000097982909 554006059 /nfs/dbraw/zinc/00/60/59/554006059.db2.gz MQXTXPXEYDQTOV-UHFFFAOYSA-N 0 1 655.198 5.647 50 0 KKAAMN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1C ZINC000097982897 554006140 /nfs/dbraw/zinc/00/61/40/554006140.db2.gz VZWJWHIHPBBWLW-UHFFFAOYSA-N 0 1 588.082 5.950 50 0 KKAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCN(C(=O)c2ccc3ccccc3c2)CC1 ZINC000034830346 554015214 /nfs/dbraw/zinc/01/52/14/554015214.db2.gz QSZBAPLRLYFOLQ-YUDQIZAISA-N 0 1 523.702 5.530 50 0 KKAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCN(C(=O)c2ccc3ccccc3c2)CC1 ZINC000034830347 554015278 /nfs/dbraw/zinc/01/52/78/554015278.db2.gz QSZBAPLRLYFOLQ-JHOBJCJYSA-N 0 1 523.702 5.530 50 0 KKAAMN Cc1ccc(C(=O)N2CCCN(C(=O)[C@@H](C)N3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000034830386 554015667 /nfs/dbraw/zinc/01/56/67/554015667.db2.gz GLOXOEOMNNNGES-LXFBAYGMSA-N 0 1 501.696 5.076 50 0 KKAAMN CCc1ccc(C(=O)N(Cc2c(C)nn(-c3cccc(F)c3)c2N2CCN(CC)CC2)[C@@H](C)CC)cc1 ZINC000034832067 554017573 /nfs/dbraw/zinc/01/75/73/554017573.db2.gz XMKAJOFJBDZBCD-QFIPXVFZSA-N 0 1 505.682 5.465 50 0 KKAAMN CCc1ccc(C(=O)N(CCC(C)C)Cc2c(C)nn(-c3ccccc3)c2N2CCN(CC)CC2)cc1 ZINC000034832135 554017609 /nfs/dbraw/zinc/01/76/09/554017609.db2.gz MBALNCRMWJEXCG-UHFFFAOYSA-N 0 1 501.719 5.574 50 0 KKAAMN CC[C@@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)Nc1cccc(C)c1 ZINC000034832192 554017965 /nfs/dbraw/zinc/01/79/65/554017965.db2.gz RZBFNMOXNKCMCJ-JOCHJYFZSA-N 0 1 506.670 5.603 50 0 KKAAMN CC[C@@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)Nc1ccc(Cl)cc1 ZINC000034832167 554017981 /nfs/dbraw/zinc/01/79/81/554017981.db2.gz PSYRMSNSTGOWBN-HXUWFJFHSA-N 0 1 527.088 5.948 50 0 KKAAMN CCN1CCN(c2c(CN(CCC(C)C)C(=O)c3cccc(Cl)c3)c(C)nn2-c2ccccc2)CC1 ZINC000034832144 554018011 /nfs/dbraw/zinc/01/80/11/554018011.db2.gz CLJFHUFVWMJJDB-UHFFFAOYSA-N 0 1 508.110 5.665 50 0 KKAAMN CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(C(C)C)CC1)C(=O)c1ccccc1OC ZINC000034835472 554020018 /nfs/dbraw/zinc/02/00/18/554020018.db2.gz KKSXYPCZWSWDDA-UHFFFAOYSA-N 0 1 521.681 5.165 50 0 KKAAMN CCN1CCN(c2c(CN(C(=O)Nc3cccc(Cl)c3)C3CC3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034835838 554020278 /nfs/dbraw/zinc/02/02/78/554020278.db2.gz AERVAWSLNOEGMQ-UHFFFAOYSA-N 0 1 511.045 5.312 50 0 KKAAMN Nn1c(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)nnc1-c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000097990116 554028208 /nfs/dbraw/zinc/02/82/08/554028208.db2.gz VOZGAYWLDIBLTO-UHFFFAOYSA-N 0 1 528.347 5.105 50 0 KKAAMN Cc1ccc(Cl)cc1NC(=O)CSC1=NC2(CCN(C)CC2)N=C1c1ccc(Br)cc1 ZINC000035397198 554047766 /nfs/dbraw/zinc/04/77/66/554047766.db2.gz XPXUFMHUYFIMBH-UHFFFAOYSA-N 0 1 519.896 5.406 50 0 KKAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(OC)c(OC)c1)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000035397178 554047901 /nfs/dbraw/zinc/04/79/01/554047901.db2.gz APOAJIUZPNUUMP-UHFFFAOYSA-N 0 1 522.715 5.386 50 0 KKAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(C(C)C)cc1)C(c1ccc(C(C)(C)C)cc1)=N2 ZINC000035397166 554047869 /nfs/dbraw/zinc/04/78/69/554047869.db2.gz AQFRUHORKGERBH-UHFFFAOYSA-N 0 1 504.744 6.493 50 0 KKAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1cccc(Cl)c1)C(c1ccc(Br)cc1)=N2 ZINC000035397217 554048154 /nfs/dbraw/zinc/04/81/54/554048154.db2.gz JHTGKJQZHAFAKH-UHFFFAOYSA-N 0 1 519.896 5.488 50 0 KKAAMN Cc1cccc(NC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)c(C(=O)NC3CCCCC3)c2)c1 ZINC000035707378 554065210 /nfs/dbraw/zinc/06/52/10/554065210.db2.gz FCDUKENTVVHQRP-UHFFFAOYSA-N 0 1 525.697 6.024 50 0 KKAAMN Cc1cccc(NC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)c(C(=O)NC3CCCCC3)c2)c1C ZINC000035707385 554065246 /nfs/dbraw/zinc/06/52/46/554065246.db2.gz CUHZTUARZDAUFZ-UHFFFAOYSA-N 0 1 539.724 6.332 50 0 KKAAMN CCC[C@H](O)CN(CCCOC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1 ZINC000035842604 554081174 /nfs/dbraw/zinc/08/11/74/554081174.db2.gz ZREJQSMTMUFYPT-NDEPHWFRSA-N 0 1 521.746 5.536 50 0 KKAAMN CC(C)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)Cc1ccccc1 ZINC000035842645 554081251 /nfs/dbraw/zinc/08/12/51/554081251.db2.gz LXZYHIOHIAPBNZ-WJOKGBTCSA-N 0 1 539.764 6.351 50 0 KKAAMN Cc1ccc(/C=C2\CN(C)CC3=C2N=C2SC=C(c4ccc(Cl)cc4)N2[C@H]3c2ccc(C)cc2)cc1 ZINC000035851499 554083438 /nfs/dbraw/zinc/08/34/38/554083438.db2.gz OQELHGRXMOMMAJ-YWWISXKNSA-N 0 1 510.106 7.698 50 0 KKAAMN COc1ccc(/C=C2\CN(C)CC3=C2N=C2SC=C(c4ccc(F)cc4)N2[C@@H]3c2ccc(OC)cc2)cc1 ZINC000035999595 554127336 /nfs/dbraw/zinc/12/73/36/554127336.db2.gz OQFWWIRRRIUULW-AYHHAJBCSA-N 0 1 525.649 6.584 50 0 KKAAMN CN1CC2=C(N=C3SC=C(c4ccc5c(c4)OCCO5)N3[C@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000036007014 554131983 /nfs/dbraw/zinc/13/19/83/554131983.db2.gz AEAVFOUDTJGFPC-FFEPWHKBSA-N 0 1 505.643 6.199 50 0 KKAAMN O=C(Nc1c2ccccc2oc1C(=O)c1ccccc1)c1nc(S(=O)(=O)Cc2ccc(F)cc2)ncc1Cl ZINC000098047890 554157344 /nfs/dbraw/zinc/15/73/44/554157344.db2.gz YWZUYESMYCBFAY-UHFFFAOYSA-N 0 1 549.967 5.473 50 0 KKAAMN COc1ccc(OC)c([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Br)cc2)c1 ZINC000098049891 554169721 /nfs/dbraw/zinc/16/97/21/554169721.db2.gz DZFZCMMXFVROTD-FGZHOGPDSA-N 0 1 645.120 6.833 50 0 KKAAMN COc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2cccc(Br)c2)cc1Cl ZINC000098049894 554169799 /nfs/dbraw/zinc/16/97/99/554169799.db2.gz BPVDEFDBNNODLT-SFTDATJTSA-N 0 1 649.539 7.477 50 0 KKAAMN COc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Br)cc2)cc1Br ZINC000098049924 554170237 /nfs/dbraw/zinc/17/02/37/554170237.db2.gz GEMVVVLDOWXGAJ-LEWJYISDSA-N 0 1 693.990 7.587 50 0 KKAAMN COc1ccc(OC)c([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(OC)c(Cl)c2)c1 ZINC000098049957 554170345 /nfs/dbraw/zinc/17/03/45/554170345.db2.gz UGYJXNVHMFTJMI-PKTZIBPZSA-N 0 1 630.695 6.732 50 0 KKAAMN COc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Cl)c(Cl)c2)cc1Br ZINC000098049990 554170767 /nfs/dbraw/zinc/17/07/67/554170767.db2.gz SNDUCWALXFLQLY-LEWJYISDSA-N 0 1 683.984 8.131 50 0 KKAAMN CCCCOc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000098049977 554170804 /nfs/dbraw/zinc/17/08/04/554170804.db2.gz ZFEMEZTYAWOJRD-RPWUZVMVSA-N 0 1 657.175 7.994 50 0 KKAAMN CCCCOc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 ZINC000098050082 554171738 /nfs/dbraw/zinc/17/17/38/554171738.db2.gz WEZDLSMAFJPYQK-LOSJGSFVSA-N 0 1 626.751 8.194 50 0 KKAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2cccc(Br)c2)cc1F ZINC000098050070 554171753 /nfs/dbraw/zinc/17/17/53/554171753.db2.gz INIBCOCHRHFHTL-LEWJYISDSA-N 0 1 617.085 7.263 50 0 KKAAMN CCOc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(OCC)cc2)cc1 ZINC000098050088 554172015 /nfs/dbraw/zinc/17/20/15/554172015.db2.gz BDEVOVHLCFTUFP-ZEQRLZLVSA-N 0 1 594.278 6.850 50 0 KKAAMN COc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000098050091 554172042 /nfs/dbraw/zinc/17/20/42/554172042.db2.gz DLGUBAAHGFATMM-PKTZIBPZSA-N 0 1 596.250 6.079 50 0 KKAAMN COc1ccc(C(O)(c2ccc(CN(Cc3ccccc3)C[C@H]3CCCO3)o2)c2ccc(OC)cc2)cc1 ZINC000036145508 554197733 /nfs/dbraw/zinc/19/77/33/554197733.db2.gz DESVDVNSWJLYTO-GDLZYMKVSA-N 0 1 513.634 5.762 50 0 KKAAMN O[C@H](COCc1ccco1)CN(Cc1cccc(F)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146794 554198086 /nfs/dbraw/zinc/19/80/86/554198086.db2.gz NWXYRCUVHTYKDD-RBBKRZOGSA-N 0 1 507.389 5.298 50 0 KKAAMN O[C@H](COCc1ccco1)CN(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146747 554198231 /nfs/dbraw/zinc/19/82/31/554198231.db2.gz YWJCPDUGNPGTHU-UNMCSNQZSA-N 0 1 507.389 5.298 50 0 KKAAMN COCCCN(Cc1ccsc1)Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1 ZINC000036202896 554200751 /nfs/dbraw/zinc/20/07/51/554200751.db2.gz IAWOOYUEDCQTGF-UHFFFAOYSA-N 0 1 507.652 5.681 50 0 KKAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C[C@@H](O)COCC(C)C ZINC000036305081 554214881 /nfs/dbraw/zinc/21/48/81/554214881.db2.gz RTMPJBQYJYOANL-HSZRJFAPSA-N 0 1 502.055 5.015 50 0 KKAAMN COc1cccc(Oc2c(CN(C[C@@H](O)COC(C)(C)C)C[C@@H]3CCCO3)c(-c3ccccc3)nn2C)c1 ZINC000036305596 554215166 /nfs/dbraw/zinc/21/51/66/554215166.db2.gz HTKFHQOSJUXRMI-BVAGGSTKSA-N 0 1 523.674 5.045 50 0 KKAAMN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@@H](O)COCc1ccccc1 ZINC000036309402 554217090 /nfs/dbraw/zinc/21/70/90/554217090.db2.gz XTIWKHOZTQKLTP-IAPPQJPRSA-N 0 1 536.738 5.159 50 0 KKAAMN C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN([C@@H](c5ccccc5)c5ccc(Cl)cc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000036369521 554224172 /nfs/dbraw/zinc/22/41/72/554224172.db2.gz FGXQERORDNVKRX-CNZJKCFNSA-N 0 1 535.128 5.332 50 0 biogenic KKAAMN CC(C)C[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccccc3F)C2=O)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]21 ZINC000100122544 554224757 /nfs/dbraw/zinc/22/47/57/554224757.db2.gz CTAJWSNPWCGOIY-YXMNTCDSSA-N 0 1 532.015 5.045 50 0 KKAAMN C[C@@H](Oc1cc(-n2cnc3ccc(CN4CCN(C)CC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F ZINC000043154472 554297394 /nfs/dbraw/zinc/29/73/94/554297394.db2.gz ZHJGWYRLJUCMRT-QGZVFWFLSA-N 0 1 543.615 5.092 50 0 investigational KKAAMN O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCN(CCc1ccccc1)C3)Nc1ccccc1 ZINC000053292001 554332407 /nfs/dbraw/zinc/33/24/07/554332407.db2.gz OUBVCNXFBCHKHF-UHFFFAOYSA-N 0 1 552.725 5.779 50 0 KKAAMN COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)COc2cc(C)ccc2C(C)C)c1 ZINC000057222688 554352759 /nfs/dbraw/zinc/35/27/59/554352759.db2.gz FPXKSXGIYSOQFE-UHFFFAOYSA-N 0 1 515.654 5.245 50 0 KKAAMN COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2sc3ccccc3c2Cl)c1 ZINC000057222681 554352806 /nfs/dbraw/zinc/35/28/06/554352806.db2.gz UKPDFTDBULPCIQ-UHFFFAOYSA-N 0 1 520.054 5.916 50 0 KKAAMN COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 ZINC000057222890 554353159 /nfs/dbraw/zinc/35/31/59/554353159.db2.gz FRMTXTMHGGXIPC-UHFFFAOYSA-N 0 1 522.045 5.245 50 0 KKAAMN O=C(CNCc1ccccc1)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCCCC2 ZINC000057311974 554353744 /nfs/dbraw/zinc/35/37/44/554353744.db2.gz NKOAITHPRGOKKC-UHFFFAOYSA-N 0 1 512.473 5.760 50 0 KKAAMN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@@H]3c2cccc(Br)c2)cc1 ZINC000100425411 554386614 /nfs/dbraw/zinc/38/66/14/554386614.db2.gz HPWLRYGUPGCLTB-ZOYWYXQUSA-N 0 1 563.495 8.621 50 0 KKAAMN O=C(N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1Cl)C(F)(F)F ZINC000100425700 554387069 /nfs/dbraw/zinc/38/70/69/554387069.db2.gz PPVWINMLXBPWBJ-LMKMVOKYSA-N 0 1 531.361 8.106 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000100425634 554387092 /nfs/dbraw/zinc/38/70/92/554387092.db2.gz MNOOUPONVNFTJJ-CAQRMWTPSA-N 0 1 524.661 7.834 50 0 KKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C)cc3)C2)[C@@H]1c1cccc(Br)c1 ZINC000100426055 554387281 /nfs/dbraw/zinc/38/72/81/554387281.db2.gz FWTDSECUVYLWPJ-PBBNMVCDSA-N 0 1 515.451 7.718 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000100426095 554387686 /nfs/dbraw/zinc/38/76/86/554387686.db2.gz AXKGIDZVRLDJOP-RGJYROARSA-N 0 1 580.769 9.132 50 0 KKAAMN COc1ccc([C@H]2C3=C(C[C@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1OC ZINC000100426135 554387690 /nfs/dbraw/zinc/38/76/90/554387690.db2.gz OILGGTNPLKLYOC-RBBQXQBVSA-N 0 1 550.699 7.961 50 0 KKAAMN COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000100426366 554388137 /nfs/dbraw/zinc/38/81/37/554388137.db2.gz LOKCZLDSOMTHHW-CGKQSPDFSA-N 0 1 614.695 6.698 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000100426552 554388260 /nfs/dbraw/zinc/38/82/60/554388260.db2.gz AUMDEPMWHHJMNO-NHRFMIRVSA-N 0 1 559.106 8.488 50 0 KKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@@H]3c2ccc(Cl)cc2)cc1OC ZINC000100426515 554388282 /nfs/dbraw/zinc/38/82/82/554388282.db2.gz SOJSSVZPBXSFFM-CAQRMWTPSA-N 0 1 565.069 8.221 50 0 KKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000100426492 554388379 /nfs/dbraw/zinc/38/83/79/554388379.db2.gz WMZYZNQIGJSTFK-PRAQEBQASA-N 0 1 517.025 7.317 50 0 KKAAMN CC[C@H](C)Oc1ccccc1[C@H]1C2=C(C[C@@H](c3ccc(OC)c(OC)c3)CC2=O)Nc2ccccc2N1C(=O)c1ccccc1 ZINC000100426601 554388743 /nfs/dbraw/zinc/38/87/43/554388743.db2.gz NIWLAWAOUAVREA-KRZZXNESSA-N 0 1 602.731 8.745 50 0 biogenic KKAAMN COc1cccc([C@H]2C3=C(C[C@@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000100426923 554389022 /nfs/dbraw/zinc/38/90/22/554389022.db2.gz CHKZUCRISBPPNW-KTBRYMIGSA-N 0 1 602.493 9.397 50 0 KKAAMN O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccc(Cl)c1 ZINC000100426827 554389235 /nfs/dbraw/zinc/38/92/35/554389235.db2.gz YXEHXJJMVLUTAM-SLGOVJDISA-N 0 1 539.462 8.857 50 0 KKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N(C(=O)c2ccccc2)[C@H]3c2ccc(F)cc2)cc1 ZINC000100427166 554389533 /nfs/dbraw/zinc/38/95/33/554389533.db2.gz BGJHSRMPWFGFNK-HPMVVLTCSA-N 0 1 532.615 8.007 50 0 KKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@H]3c2ccc(Cl)cc2)cc1OC ZINC000100429539 554390626 /nfs/dbraw/zinc/39/06/26/554390626.db2.gz JORIRDZWVGTURA-OLILMLBXSA-N 0 1 502.998 6.927 50 0 KKAAMN COc1ccccc1NC(=O)CSc1nc2c3ccccc3sc2c(=O)n1C1CCN(Cc2ccccc2)CC1 ZINC000059524092 554405312 /nfs/dbraw/zinc/40/53/12/554405312.db2.gz SJNIFVBGQVMRTK-UHFFFAOYSA-N 0 1 570.740 6.188 50 0 KKAAMN COc1cc([C@H]2c3c(n[nH]c3-c3cc(C)c(C)cc3O)C(=O)N2Cc2ccccc2)cc(Br)c1O ZINC000059626568 554414927 /nfs/dbraw/zinc/41/49/27/554414927.db2.gz JXJZAYVNKKOLAW-VWLOTQADSA-N 0 1 534.410 5.621 50 0 KKAAMN O=C1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@H](c2ccc3c(c2)OCO3)N1c1ccc(F)cc1 ZINC000100578078 554424035 /nfs/dbraw/zinc/42/40/35/554424035.db2.gz UQJYLGURFYXEEQ-SFTDATJTSA-N 0 1 568.171 5.921 50 0 KKAAMN COc1cccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2ccc3c(c2)OCO3)c1 ZINC000100578019 554424074 /nfs/dbraw/zinc/42/40/74/554424074.db2.gz CUJBTEOLMXIGME-YADHBBJMSA-N 0 1 580.207 5.790 50 0 KKAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000100582647 554425369 /nfs/dbraw/zinc/42/53/69/554425369.db2.gz AQSFKUQUMJYYFZ-SFTDATJTSA-N 0 1 572.634 7.154 50 0 KKAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000100582652 554425380 /nfs/dbraw/zinc/42/53/80/554425380.db2.gz AQSFKUQUMJYYFZ-LEWJYISDSA-N 0 1 572.634 7.154 50 0 KKAAMN Cc1ccc(F)cc1N1C(=O)C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@@H]1c1ccc(F)cc1 ZINC000100584551 554426105 /nfs/dbraw/zinc/42/61/05/554426105.db2.gz XOWYJFOFMTXQAA-LEWJYISDSA-N 0 1 556.179 6.640 50 0 KKAAMN Cc1c(Cl)cccc1N1C(=O)C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@H]1c1ccc(F)cc1 ZINC000100584468 554426175 /nfs/dbraw/zinc/42/61/75/554426175.db2.gz IDPFROTYIUTFLJ-RTWAWAEBSA-N 0 1 572.634 7.154 50 0 KKAAMN Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(=O)C=C(O)C(=O)Nc1ccc(F)cc1 ZINC000100742178 554463482 /nfs/dbraw/zinc/46/34/82/554463482.db2.gz GYUZRMZVQNHEET-UHFFFAOYSA-N 0 1 524.577 5.891 50 0 KKAAMN COc1cc(-c2nc(-c3ccc4c(c3)S(=O)(=O)c3ccccc3-4)c(-c3ccccc3)[nH]2)cc(OC)c1O ZINC000100804817 554474581 /nfs/dbraw/zinc/47/45/81/554474581.db2.gz UHTZGVJNUQCOJP-UHFFFAOYSA-N 0 1 510.571 5.947 50 0 KKAAMN CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1 ZINC000068153186 554538442 /nfs/dbraw/zinc/53/84/42/554538442.db2.gz BFSMGDJOXZAERB-UHFFFAOYSA-N 0 1 519.574 5.365 50 0 fda KKAAMN COc1ccc(C(O)=C2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000101030166 554564923 /nfs/dbraw/zinc/56/49/23/554564923.db2.gz PXTUMZQKCCHTGO-WFPUBZAHSA-N 0 1 526.592 5.551 50 0 KKAAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)c3ccccc3)[C@H]2c2ccc(Br)cc2)C1 ZINC000101071519 554575659 /nfs/dbraw/zinc/57/56/59/554575659.db2.gz IDXNVSGKQHPJMU-SANMLTNESA-N 0 1 501.424 7.555 50 0 KKAAMN Brc1ccc2c(c1)[C@@H]1CC(c3ccc(-c4ccccc4)cc3)=NN1C1(CCN(Cc3ccccc3)CC1)O2 ZINC000101092048 554582888 /nfs/dbraw/zinc/58/28/88/554582888.db2.gz BUAFUNGFMOWTNA-HKBQPEDESA-N 0 1 564.527 7.652 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2C(=C(O)c3ccccc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)cc1 ZINC000101098603 554585505 /nfs/dbraw/zinc/58/55/05/554585505.db2.gz CYZCJQRBAXQVNH-ZXFZPVEDSA-N 0 1 540.619 5.941 50 0 KKAAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)Nc3ccc(Cl)c(Cl)c3)[C@@H]2c2cccc(Br)c2)C1 ZINC000101100746 554587607 /nfs/dbraw/zinc/58/76/07/554587607.db2.gz YORFZYMACKSIIH-AREMUKBSSA-N 0 1 585.329 9.254 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000101100585 554587623 /nfs/dbraw/zinc/58/76/23/554587623.db2.gz ZONSMTTUWXJUPS-XAEBNIDXSA-N 0 1 520.629 5.592 50 0 KKAAMN COc1cc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc(OC)c1OC ZINC000101101266 554588202 /nfs/dbraw/zinc/58/82/02/554588202.db2.gz SCHXHXIXYSVFRI-DFXYEROKSA-N 0 1 524.617 6.673 50 0 KKAAMN Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c2ccc3c(c2)OCO3)[C@@]12c1ccccc1NC2=O ZINC000101122299 554643832 /nfs/dbraw/zinc/64/38/32/554643832.db2.gz LTJONOAUUOETRK-XAEBNIDXSA-N 0 1 534.612 5.312 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccncc2)[C@]12C(=O)Nc1ccccc12 ZINC000101145227 554655878 /nfs/dbraw/zinc/65/58/78/554655878.db2.gz ZWIGVAWXIVDOOY-WFPUBZAHSA-N 0 1 525.608 5.636 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000101173411 554662237 /nfs/dbraw/zinc/66/22/37/554662237.db2.gz DSKVOGRWCPWEBW-XAEBNIDXSA-N 0 1 520.629 5.674 50 0 KKAAMN CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c1ccc(CC(C)C)cc1)[C@@]21c2ccccc2NC1=O ZINC000101174202 554662433 /nfs/dbraw/zinc/66/24/33/554662433.db2.gz SDVIFERUKJDMKH-WUPCUQSLSA-N 0 1 546.711 6.864 50 0 KKAAMN COc1ccc(C(O)=C2[C@@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000101177147 554665013 /nfs/dbraw/zinc/66/50/13/554665013.db2.gz UNNOOPIXWZNMAT-QODLHPCFSA-N 0 1 532.621 5.613 50 0 KKAAMN O=C(c1cccs1)[C@@H]1C(=C(O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000101179804 554666178 /nfs/dbraw/zinc/66/61/78/554666178.db2.gz PIVQSAQTISNSTM-ANOKCIKSSA-N 0 1 537.040 6.258 50 0 KKAAMN Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)C(=C(O)c2ccccc2F)[C@]12C(=O)Nc1ccccc12 ZINC000101179982 554666666 /nfs/dbraw/zinc/66/66/66/554666666.db2.gz YBBWWYMELMAGHI-JVPIYLDOSA-N 0 1 508.593 5.723 50 0 KKAAMN Cc1ccc(Nc2ncc(C(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)c3ccccc32)cc1Cl ZINC000101192061 554670742 /nfs/dbraw/zinc/67/07/42/554670742.db2.gz NCZZIHOZWCBBKF-UHFFFAOYSA-N 0 1 548.518 6.536 50 0 KKAAMN COc1ccccc1Nc1c2cc(NC(=O)Cc3ccc(Cl)c(Cl)c3)ccc2nc2c1CCCC2 ZINC000101193364 554671340 /nfs/dbraw/zinc/67/13/40/554671340.db2.gz XQNXOWHREDOVGJ-UHFFFAOYSA-N 0 1 506.433 7.354 50 0 KKAAMN CN(CCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101205618 554675639 /nfs/dbraw/zinc/67/56/39/554675639.db2.gz DBVANVNXSDDHHB-LCKZEXAISA-N 0 1 634.777 5.149 50 0 biogenic KKAAMN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000101254831 554695494 /nfs/dbraw/zinc/69/54/94/554695494.db2.gz XQKFTIUPMXIKGB-HKBQPEDESA-N 0 1 634.246 5.668 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000101254815 554695540 /nfs/dbraw/zinc/69/55/40/554695540.db2.gz RFOUODKSKGQFCU-WJOKGBTCSA-N 0 1 634.246 5.668 50 0 KKAAMN O=C(C[C@@H]1C(=O)N(c2ccc(F)cc2)C(=S)N1CCCN1CCN(Cc2ccccc2)CC1)Nc1ccc(Cl)cc1 ZINC000101254863 554695836 /nfs/dbraw/zinc/69/58/36/554695836.db2.gz KYDREQSXADOZFY-MUUNZHRXSA-N 0 1 594.156 5.018 50 0 KKAAMN COc1ccc(-c2[nH]c(-c3ccc(Br)cc3)nc2SCC(=O)NCc2ccco2)cc1OC ZINC000101305261 554715036 /nfs/dbraw/zinc/71/50/36/554715036.db2.gz AAXNGTJCCFVFBM-UHFFFAOYSA-N 0 1 528.428 5.525 50 0 KKAAMN CCCOc1ccc(C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(c4ccc(C)c(C)c4NC3=O)[C@]23c2ccccc2NC3=O)cc1 ZINC000101350993 554738015 /nfs/dbraw/zinc/73/80/15/554738015.db2.gz FSWHRNRDNANSQX-RJYGDKEGSA-N 0 1 535.644 5.107 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(=C(O)c2ccc(F)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000101360858 554742526 /nfs/dbraw/zinc/74/25/26/554742526.db2.gz LQAIAPFEDGJJKY-KCIBBDPESA-N 0 1 548.639 6.442 50 0 KKAAMN Oc1c2c(-c3ccc(Br)cc3)nn(-c3ccccc3)c2c(O)n1-c1cccc(C(F)(F)F)c1 ZINC000101361446 554743006 /nfs/dbraw/zinc/74/30/06/554743006.db2.gz NKLBVNNNXBHBSV-FPOVZHCZSA-N 0 1 514.301 5.250 50 0 KKAAMN COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1 ZINC000101373463 554745460 /nfs/dbraw/zinc/74/54/60/554745460.db2.gz MKSKONVZMMHRBM-JHOBJCJYSA-N 0 1 522.601 6.442 50 0 KKAAMN COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)c2cccs2)cc1 ZINC000101386135 554751312 /nfs/dbraw/zinc/75/13/12/554751312.db2.gz ZYIVIWWGKCTDKF-XJFCNFDWSA-N 0 1 548.664 7.707 50 0 KKAAMN CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4ccc(Cl)cc4N4CCN(Cc5ccccc5)C[C@@H]43)C2=O)cc1 ZINC000101391663 554755193 /nfs/dbraw/zinc/75/51/93/554755193.db2.gz KDGHVVLSQKCCOI-MVSFAKPFSA-N 0 1 543.067 5.173 50 0 KKAAMN CC1=NN(c2ccc(C)cc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CCN(Cc3ccccc3)C[C@@H]12 ZINC000101391801 554755656 /nfs/dbraw/zinc/75/56/56/554755656.db2.gz ZRXMRYXHPCGGLA-PXJZQJOASA-N 0 1 529.482 5.414 50 0 KKAAMN CCOc1cc([C@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)ccc1OCc1ccc(Cl)cc1 ZINC000101404280 554761099 /nfs/dbraw/zinc/76/10/99/554761099.db2.gz VNRIIHUZWLGCAZ-SBVPHTNJSA-N 0 1 633.188 9.586 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000101405952 554761792 /nfs/dbraw/zinc/76/17/92/554761792.db2.gz HDYKOMZZZKSPOY-BWXVZPLGSA-N 0 1 610.795 9.140 50 0 KKAAMN CCOc1cc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000101412290 554764229 /nfs/dbraw/zinc/76/42/29/554764229.db2.gz ZNQJKMLYAZTMHE-VWLRAHFJSA-N 0 1 621.177 9.524 50 0 KKAAMN COc1ccc([C@@H]2C3=C(C[C@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(C)=O)cc1OC ZINC000101412937 554764361 /nfs/dbraw/zinc/76/43/61/554764361.db2.gz GWTOPOPYAGBSSZ-JPQMRUPTSA-N 0 1 524.661 7.571 50 0 KKAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)C[C@@H]3C(=O)N(Cc4ccccc4)[C@H](C)c4nc5ccccc5n43)CC2)c1 ZINC000101425295 554768242 /nfs/dbraw/zinc/76/82/42/554768242.db2.gz UDQXSPFYAMNBHL-WXGMZPBLSA-N 0 1 578.761 5.016 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000101434464 554771837 /nfs/dbraw/zinc/77/18/37/554771837.db2.gz XPXZBFGIKFTXKC-UKJJDJLKSA-N 0 1 522.645 7.604 50 0 KKAAMN O=C(Nc1ccc(Cl)c(Cl)c1)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccccc1F ZINC000101464285 554779891 /nfs/dbraw/zinc/77/98/91/554779891.db2.gz XUCFTVNOWHWDSQ-GEFUHLBYSA-N 0 1 572.467 9.388 50 0 KKAAMN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3ccccc3Cl)C2)cc1 ZINC000101470736 554781385 /nfs/dbraw/zinc/78/13/85/554781385.db2.gz FKCFVIXGPYKDFV-QLXKLKPCSA-N 0 1 526.942 7.461 50 0 KKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cccs2)[C@H]3c2cccc(F)c2)cc1 ZINC000101482801 554784854 /nfs/dbraw/zinc/78/48/54/554784854.db2.gz FSLJIRVCIUTRNC-DFXYEROKSA-N 0 1 524.617 7.760 50 0 KKAAMN O=C(c1cccs1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(F)cc1 ZINC000101485278 554785358 /nfs/dbraw/zinc/78/53/58/554785358.db2.gz JHRXHNLCEDNISS-ACSYHNTCSA-N 0 1 529.036 8.405 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000101500319 554787979 /nfs/dbraw/zinc/78/79/79/554787979.db2.gz RZVBAHBMPSPHAB-GEFUHLBYSA-N 0 1 544.648 7.436 50 0 KKAAMN Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2ccc3c(c2)N(Cc2ccc(Cl)cc2)CCS3)CC1 ZINC000101506647 554790663 /nfs/dbraw/zinc/79/06/63/554790663.db2.gz IJAIVABDCBUPDI-UHFFFAOYSA-N 0 1 569.602 6.356 50 0 KKAAMN Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2ccc(CSc3nc4cc[nH]cc-4n3)cc2)CC1 ZINC000101561628 554797366 /nfs/dbraw/zinc/79/73/66/554797366.db2.gz MIXKTKBQAVTTGW-UHFFFAOYSA-N 0 1 535.117 5.154 50 0 KKAAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](c1ccc(Cl)cc1)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000101625405 554811227 /nfs/dbraw/zinc/81/12/27/554811227.db2.gz MRDJQDOFPWKMIJ-URLMMPGGSA-N 0 1 590.076 6.041 50 0 KKAAMN O=C(CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000101629560 554811468 /nfs/dbraw/zinc/81/14/68/554811468.db2.gz XCAKNFHKCXYTDG-USHMODERSA-N 0 1 565.114 5.287 50 0 KKAAMN O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc(/C=C2/Sc3ccccc3NC2=O)cc1 ZINC000101630775 554811738 /nfs/dbraw/zinc/81/17/38/554811738.db2.gz IFOMGFNIXQFTLM-ZXVVBBHZSA-N 0 1 533.097 5.367 50 0 KKAAMN O=C(NCCN1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000101637761 554813897 /nfs/dbraw/zinc/81/38/97/554813897.db2.gz ANQCVBILRGEJQW-VZUYHUTRSA-N 0 1 613.183 5.215 50 0 KKAAMN COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000101972640 554860577 /nfs/dbraw/zinc/86/05/77/554860577.db2.gz SOUVLAYRZCYUOU-JWQCQUIFSA-N 0 1 533.053 5.835 50 0 KKAAMN Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)CC1 ZINC000101978799 554863402 /nfs/dbraw/zinc/86/34/02/554863402.db2.gz RKNHBRWTSPBISK-KYJUHHDHSA-N 0 1 579.210 5.975 50 0 KKAAMN COc1ccccc1N1CCN(CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)[C@H]2c2cccs2)CC1 ZINC000101979752 554863688 /nfs/dbraw/zinc/86/36/88/554863688.db2.gz ZNOOPHULBMEETJ-JSOSNVBQSA-N 0 1 572.775 5.309 50 0 KKAAMN CN1CCN(c2ccc(Cl)cc2NC(=O)c2ccccc2SCC(=O)c2ccc(OC(F)F)cc2)CC1 ZINC000101998849 554865615 /nfs/dbraw/zinc/86/56/15/554865615.db2.gz IULMLENAOIZOGL-UHFFFAOYSA-N 0 1 546.039 5.921 50 0 KKAAMN CC(C)CC(=O)N1CCc2ccc(OCc3ccc(C(=O)NCCN4CCCC4)o3)cc2[C@@H]1c1ccc(F)cc1 ZINC000102003130 554866420 /nfs/dbraw/zinc/86/64/20/554866420.db2.gz GMLZRSGKUISWLP-HKBQPEDESA-N 0 1 547.671 5.344 50 0 KKAAMN COc1ccc(S[C@@H]2C[C@@H](C(=O)NCc3cn4ccccc4n3)N(Cc3c(OC)ccc4ccccc43)C2)cc1 ZINC000102016949 554867166 /nfs/dbraw/zinc/86/71/66/554867166.db2.gz TXHJMMGIVWRCSS-UHSQPCAPSA-N 0 1 552.700 5.556 50 0 KKAAMN COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000102096589 554879372 /nfs/dbraw/zinc/87/93/72/554879372.db2.gz QKFQMXPGKSLVAP-HSZRJFAPSA-N 0 1 546.476 6.478 50 0 KKAAMN COc1ccccc1N1CCN(CCCNC(=O)c2cnn(-c3ccc(C)cc3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000102130331 554885252 /nfs/dbraw/zinc/88/52/52/554885252.db2.gz BKNWWFQNVJRJOF-UHFFFAOYSA-N 0 1 616.807 5.246 50 0 KKAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(OC)c(Cl)c1)C(c1ccc(Br)cc1)=N2 ZINC000102244082 554903203 /nfs/dbraw/zinc/90/32/03/554903203.db2.gz GVOFBGFYZOBPBJ-UHFFFAOYSA-N 0 1 549.922 5.496 50 0 KKAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000102254130 554904292 /nfs/dbraw/zinc/90/42/92/554904292.db2.gz DGBGBNJZXBYKTR-IDISGSTGSA-N 0 1 555.666 5.786 50 0 KKAAMN CCOC(=O)C1C(COC(=O)c2cc(-c3ccccc3)nc3ccc(C)cc32)=NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000102273516 554905928 /nfs/dbraw/zinc/90/59/28/554905928.db2.gz DBORVZKRBJVCRC-GDLZYMKVSA-N 0 1 551.599 5.247 50 0 KKAAMN O=C(Nc1ccc(Cl)cc1)[C@H]1C(=C(O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 ZINC000102435623 554928018 /nfs/dbraw/zinc/92/80/18/554928018.db2.gz SZTCXLXVQOTQNF-VGBJTSDXSA-N 0 1 564.016 6.091 50 0 KKAAMN O=C(Nc1ccc(Cl)cc1)[C@H]1C(=C(O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000102435618 554928067 /nfs/dbraw/zinc/92/80/67/554928067.db2.gz SZTCXLXVQOTQNF-UHLQNUQBSA-N 0 1 564.016 6.091 50 0 KKAAMN O=C(c1cccs1)[C@@H]1C(=C(O)c2ccc3c(c2)OCO3)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N21 ZINC000102552218 554962464 /nfs/dbraw/zinc/96/24/64/554962464.db2.gz OCJPEGYJRYRTEI-CKXMCULTSA-N 0 1 581.049 5.986 50 0 KKAAMN CCCCCc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccccc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102557345 554965249 /nfs/dbraw/zinc/96/52/49/554965249.db2.gz GKEDSRMNCNPPAI-ZYDSRVDWSA-N 0 1 580.728 7.666 50 0 KKAAMN Cc1ccc(C(O)=C2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccc(C)cc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102557441 554965290 /nfs/dbraw/zinc/96/52/90/554965290.db2.gz IZNQXJDTNLMEAP-IEMSDXTESA-N 0 1 559.065 6.813 50 0 KKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N(C(=O)C(F)(F)F)[C@@H]3c2cccs2)cc1 ZINC000102646027 554992160 /nfs/dbraw/zinc/99/21/60/554992160.db2.gz RSRBSWYINYTNAS-SSOJOUAXSA-N 0 1 512.553 7.178 50 0 KKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N(C(=O)C(F)(F)F)[C@H]3c2cccs2)cc1 ZINC000102646028 554992165 /nfs/dbraw/zinc/99/21/65/554992165.db2.gz RSRBSWYINYTNAS-GKVSMKOHSA-N 0 1 512.553 7.178 50 0 KKAAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)C(F)(F)F)[C@H]2c2ccccc2OCc2ccccc2)C1 ZINC000102648483 554993995 /nfs/dbraw/zinc/99/39/95/554993995.db2.gz XRXLTHZVNZRBRU-MHZLTWQESA-N 0 1 520.551 7.620 50 0 KKAAMN CCc1ccc2c(c1)[C@]1(C(=O)N2)N2CCC[C@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000102664263 555001129 /nfs/dbraw/zinc/00/11/29/555001129.db2.gz DEXFPUZLJYSAEO-YUUFSVGYSA-N 0 1 527.624 5.417 50 0 KKAAMN COc1ccc([C@@H]2N(c3ccccc3)O[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@]32c2ccccc2)cc1 ZINC000102706082 555014633 /nfs/dbraw/zinc/01/46/33/555014633.db2.gz KUWUBVXHHKKTIG-QYDYLWNGSA-N 0 1 506.558 5.077 50 0 KKAAMN COc1ccc([C@@H]2N(c3ccccc3)OC3C(=O)N(c4ccc(OC)cc4)C(=O)[C@]32c2ccccc2)cc1 ZINC000102706082 555014634 /nfs/dbraw/zinc/01/46/34/555014634.db2.gz KUWUBVXHHKKTIG-QYDYLWNGSA-N 0 1 506.558 5.077 50 0 KKAAMN O=C(COc1ccc(-c2ccsc2)cc1CN1CCN(c2ccccc2)CC1)NC[C@@H]1COc2ccccc2O1 ZINC000102707532 555015602 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CC(C)c1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@@H]1C ZINC000103363022 555365227 /nfs/dbraw/zinc/36/52/27/555365227.db2.gz HNWYPQMPLZHZNV-RBBQXQBVSA-N 0 1 590.809 7.236 50 0 KKAAMN C[C@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Nc1cccc(Cl)c1 ZINC000103363259 555365302 /nfs/dbraw/zinc/36/53/02/555365302.db2.gz KIKISGOANDWTGW-PPHZAIPVSA-N 0 1 541.092 5.643 50 0 KKAAMN CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CCN(Cc3ccccc3)C[C@H]12 ZINC000103405497 555391838 /nfs/dbraw/zinc/39/18/38/555391838.db2.gz CSTFUZXEARCNQU-XTEPFMGCSA-N 0 1 549.900 5.759 50 0 KKAAMN 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 555422677 /nfs/dbraw/zinc/42/26/77/555422677.db2.gz FNDYDIKFWGWYQF-LSBIRFPWSA-N 0 1 536.628 5.292 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3cccc(OC)c3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N32)c1 ZINC000103519562 555424911 /nfs/dbraw/zinc/42/49/11/555424911.db2.gz QFCRDRIZLIPPSP-RAESKKBESA-N 0 1 556.618 5.560 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103538038 555437176 /nfs/dbraw/zinc/43/71/76/555437176.db2.gz PXTUMZQKCCHTGO-CDACFMRSSA-N 0 1 526.592 5.551 50 0 KKAAMN CSCC[C@@H]1N[C@@]2(c3ccccc3N(Cc3cccc4ccccc43)C2=O)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000103689773 555462511 /nfs/dbraw/zinc/46/25/11/555462511.db2.gz SZPXDUXKOUOUOC-FJRCWILLSA-N 0 1 561.707 5.108 50 0 KKAAMN C[NH+]1CCN(C(=O)c2ccc(-n3nc(-c4ccc(C(=O)[O-])cc4)cc3-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc2)CC1 ZINC000205382406 562875316 /nfs/dbraw/zinc/87/53/16/562875316.db2.gz YVXYHNKIOFSFMZ-UHFFFAOYSA-N 0 1 578.757 6.887 50 0 KKAAMN Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C=Cc4ccccc4)[C@@H]3c3ccco3)C2)cc1 ZINC000103984428 571370918 /nfs/dbraw/zinc/37/09/18/571370918.db2.gz CKCPWWSSPNWQFS-CAOVUWFBSA-N 0 1 500.598 7.852 50 0 KKAAMN O=C(Nc1ccc(Cl)cc1)[C@@H]1C(C(=O)c2ccco2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000104098603 571373785 /nfs/dbraw/zinc/37/37/85/571373785.db2.gz CZMMBSYTMMDSBZ-MFUXGYHDSA-N 0 1 535.987 5.545 50 0 KKAAMN O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@H](C(=O)c2ccco2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000104098603 571373786 /nfs/dbraw/zinc/37/37/86/571373786.db2.gz CZMMBSYTMMDSBZ-MFUXGYHDSA-N 0 1 535.987 5.545 50 0 KKAAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)Cc3ccc(Cl)cc3)[C@@H]2c2ccc3c(c2)OCO3)C1 ZINC000104152823 571375561 /nfs/dbraw/zinc/37/55/61/571375561.db2.gz NYZWIOMNNLUHIQ-GDLZYMKVSA-N 0 1 515.009 7.104 50 0 KKAAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=S)Nc3ccccc3)[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000104163253 571375837 /nfs/dbraw/zinc/37/58/37/571375837.db2.gz QOZCEFPRRNDCDJ-AREMUKBSSA-N 0 1 521.608 8.368 50 0 KKAAMN O[C@H](COCc1ccccc1)CN(Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983128 571388729 /nfs/dbraw/zinc/38/87/29/571388729.db2.gz LVSXRMMZNVYCJR-IZZNHLLZSA-N 0 1 516.535 5.417 50 0 KKAAMN O[C@@H](COCc1ccccc1)CN(Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104984712 571388768 /nfs/dbraw/zinc/38/87/68/571388768.db2.gz OGYHAFLRQKSIBR-DNQXCXABSA-N 0 1 533.883 6.220 50 0 KKAAMN O[C@@H](COCc1ccccc1)CN(Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983132 571388801 /nfs/dbraw/zinc/38/88/01/571388801.db2.gz LVSXRMMZNVYCJR-CLJLJLNGSA-N 0 1 516.535 5.417 50 0 KKAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000105060703 571390722 /nfs/dbraw/zinc/39/07/22/571390722.db2.gz LYTUNMVFZHHQPS-IBVKSMDESA-N 0 1 508.087 5.031 50 0 KKAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000105060452 571390841 /nfs/dbraw/zinc/39/08/41/571390841.db2.gz DGBGBNJZXBYKTR-ZBLYBZFDSA-N 0 1 555.666 5.786 50 0 KKAAMN O=[P@@](/C=C(/Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC000105593713 571407797 /nfs/dbraw/zinc/40/77/97/571407797.db2.gz PTUGDESJPADVJT-OQRYGUKSSA-N 0 1 566.277 10.282 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2[C@H](C(C)=O)N3c4ccc5ccccc5c4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000106536148 571412859 /nfs/dbraw/zinc/41/28/59/571412859.db2.gz WFTKIDHKJDWAQE-XHKFQDSHSA-N 0 1 514.581 5.411 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(=C(O)c1ccccc1)[C@]21C(=O)Nc2ccccc21 ZINC000107177351 571419808 /nfs/dbraw/zinc/41/98/08/571419808.db2.gz VEHPXVNIMUZWOI-CTMYTVLESA-N 0 1 510.593 5.933 50 0 KKAAMN CC(NC[C@H]1c2ccccc2C(=O)N(CCc2ccccc2)[C@@H]1c1ccc2c(c1)c1ccccc1n2C)=C1C(=O)NC(=O)N(C)C1=O ZINC000110961716 571431825 /nfs/dbraw/zinc/43/18/25/571431825.db2.gz IHBVCQHBKNABEK-GBFMPLNKSA-N 0 1 625.729 5.427 50 0 KKAAMN O=C(c1ccc(CN2CCC(C(O)(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)CC2)cc1)c1cccnc1 ZINC000135763443 571448886 /nfs/dbraw/zinc/44/88/86/571448886.db2.gz VSSGJWZCKQRREH-UHFFFAOYSA-N 0 1 598.587 7.498 50 0 KKAAMN CCCN(CCC)Cc1c(OC(=O)c2ccc(OC)c(OC)c2)ccc2c(=O)c(Oc3cc(C)cc(C)c3C)c(C(F)(F)F)oc21 ZINC000150389028 571471467 /nfs/dbraw/zinc/47/14/67/571471467.db2.gz FNJVRINYLTZDID-UHFFFAOYSA-N 0 1 641.683 8.388 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCCN2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000150396392 571476458 /nfs/dbraw/zinc/47/64/58/571476458.db2.gz ONGLMOZUNGQBJU-YTTGMZPUSA-N 0 1 692.282 5.849 50 0 KKAAMN Cc1nn(Cc2ccc(Br)cc2)c(C)c1N(C(=S)Nc1cc(C)ccc1C)[C@H]1CC(=O)N(c2cccc3ccccc32)C1=O ZINC000150397263 571476879 /nfs/dbraw/zinc/47/68/79/571476879.db2.gz DCVPWYOMEIJEQP-HKBQPEDESA-N 0 1 666.645 7.616 50 0 KKAAMN Cc1nn(Cc2ccc(Br)cc2)c(C)c1N(C(=S)Nc1cc(C)ccc1C)C1CC(=O)N(c2cccc3ccccc32)C1=O ZINC000150397263 571476881 /nfs/dbraw/zinc/47/68/81/571476881.db2.gz DCVPWYOMEIJEQP-HKBQPEDESA-N 0 1 666.645 7.616 50 0 KKAAMN Cc1cc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2ccc3c(c2)OCO3)ccc1Br ZINC000150403237 571478595 /nfs/dbraw/zinc/47/85/95/571478595.db2.gz ANMOMCZYUZRQSX-VXKWHMMOSA-N 0 1 643.104 6.853 50 0 KKAAMN COc1ccc(Br)cc1[C@@H]1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)C(=O)N1c1ccc(Br)c(C)c1 ZINC000150403347 571478628 /nfs/dbraw/zinc/47/86/28/571478628.db2.gz OVCHECSQFKKQOO-YADHBBJMSA-N 0 1 708.017 7.895 50 0 KKAAMN COc1ccc(Br)cc1[C@H]1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)C(=O)N1c1ccc(Cl)cc1C ZINC000150403321 571478703 /nfs/dbraw/zinc/47/87/03/571478703.db2.gz ZYBHJDMYUWQQRL-FCHUYYIVSA-N 0 1 663.566 7.786 50 0 KKAAMN COCCCN1C(=O)C(Nc2ccc(OC)cc2OC)=C(Sc2ccc(NS(=O)(=O)c3cc(Br)ccc3OC)cc2)C1=O ZINC000150404158 571478949 /nfs/dbraw/zinc/47/89/49/571478949.db2.gz PHPNCVJLLCYAQS-UHFFFAOYSA-N 0 1 692.610 5.097 50 0 KKAAMN CCOc1cc([C@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OCc1ccc(Cl)cc1 ZINC000150406120 571479662 /nfs/dbraw/zinc/47/96/62/571479662.db2.gz ZOFXCIBNFYUHKT-IPKWWJLYSA-N 0 1 775.298 10.216 50 0 KKAAMN CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(-n3[nH]c(N4CCCC4)c(S4=NN=NN4c4ccccc4)c3=O)cc2)c(C(C)(C)CC)c1 ZINC000150407685 571480230 /nfs/dbraw/zinc/48/02/30/571480230.db2.gz JDXYEFSDSSLJAF-QCUSNOCPSA-N 0 1 710.949 8.503 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2[C@H](C(=O)OC(c3ccccc3)c3ccccc3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000150411852 571484149 /nfs/dbraw/zinc/48/41/49/571484149.db2.gz QNJZVDBFOWNGGF-DIKLSXIISA-N 0 1 632.716 7.001 50 0 KKAAMN CCOc1cc([C@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)ccc1OCc1ccc(Cl)cc1 ZINC000150416617 571485995 /nfs/dbraw/zinc/48/59/95/571485995.db2.gz LSEYQPZWCPMJKI-OIVXELCOSA-N 0 1 649.187 9.286 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCCN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000150418527 571486618 /nfs/dbraw/zinc/48/66/18/571486618.db2.gz NKIDNVYHGUHMFW-WJOKGBTCSA-N 0 1 649.858 5.880 50 0 KKAAMN CCOc1cc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)ccc1OCc1ccc(Cl)cc1 ZINC000150419653 571487076 /nfs/dbraw/zinc/48/70/76/571487076.db2.gz FPLVFHJDZSWAGN-WNSROMTISA-N 0 1 647.093 9.430 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2N2CCOCC2)c1 ZINC000150422127 571488017 /nfs/dbraw/zinc/48/80/17/571488017.db2.gz XELKHVJMLOTJNH-UHFFFAOYSA-N 0 1 671.197 5.348 50 0 KKAAMN COc1ccc(CCOc2nc(-c3ccc(OC)cc3)n(-c3ccc(NS(=O)(=O)c4cc(Br)ccc4OC)cc3)n2)cc1 ZINC000150423542 571488735 /nfs/dbraw/zinc/48/87/35/571488735.db2.gz FZZSCLMIGSJMOO-UHFFFAOYSA-N 0 1 665.566 6.145 50 0 KKAAMN COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(SC2=C(Nc3ccc(F)cc3)C(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000150423571 571488842 /nfs/dbraw/zinc/48/88/42/571488842.db2.gz KKTIMDLTIHZQGD-UHFFFAOYSA-N 0 1 672.529 6.526 50 0 KKAAMN COc1cccc([C@H]2C3=C(N=c4s/c(=C\c5cc(I)c(O)c(I)c5)c(=O)n42)c2ccccc2CC3)c1 ZINC000150436967 571496410 /nfs/dbraw/zinc/49/64/10/571496410.db2.gz UHUZCDBUBAWGAK-PLQXQRLBSA-N 0 1 718.354 5.242 50 0 KKAAMN COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4cc(OC)c(OC)c(OC)c4)C3)[C@H]2c2cccc(F)c2)cc(OC)c1OC ZINC000150439512 571497351 /nfs/dbraw/zinc/49/73/51/571497351.db2.gz UCTLPMCGKXJLHF-GJRHBRKLSA-N 0 1 668.718 7.741 50 0 KKAAMN COc1cc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000150440265 571497838 /nfs/dbraw/zinc/49/78/38/571497838.db2.gz UXOBXWGDZCVSBM-VXKWHMMOSA-N 0 1 665.140 7.386 50 0 KKAAMN Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2ccc(/C=C3/Sc4ccccc4N(Cc4ccccc4F)C3=O)cc2)CC1 ZINC000150448931 571501704 /nfs/dbraw/zinc/50/17/04/571501704.db2.gz VRNBNSGAAQOZBE-QCFMCPCVSA-N 0 1 655.239 7.410 50 0 KKAAMN O=C1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@H](c2ccc3c(c2)OCO3)N1c1ccc(Br)cc1 ZINC000150449112 571501852 /nfs/dbraw/zinc/50/18/52/571501852.db2.gz JQYNIJWAMISWNP-LEWJYISDSA-N 0 1 629.077 6.544 50 0 KKAAMN CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cccs2)[C@@H]3c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 ZINC000150449414 571502055 /nfs/dbraw/zinc/50/20/55/571502055.db2.gz PFOKXASPPIPPQE-KJICVINHSA-N 0 1 660.924 11.210 50 0 KKAAMN COc1ccc(Br)cc1[C@@H]1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)C(=O)N1c1ccc(C)c(Cl)c1 ZINC000150453575 571503634 /nfs/dbraw/zinc/50/36/34/571503634.db2.gz ANGSSQIWVFSGMI-FGZHOGPDSA-N 0 1 663.566 7.786 50 0 KKAAMN COc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000150455835 571504544 /nfs/dbraw/zinc/50/45/44/571504544.db2.gz KSQHMVYRWAFEBR-XZOQPEGZSA-N 0 1 626.276 6.087 50 0 KKAAMN O=c1/c(=C/c2cc(Br)cc(Br)c2O)sc2n1[C@@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1 ZINC000150482219 571512960 /nfs/dbraw/zinc/51/29/60/571512960.db2.gz IOOBUGLLRRHISU-IZBTWGKQSA-N 0 1 628.773 6.203 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)NC3CCN(Cc4ccccc4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000150653519 571525996 /nfs/dbraw/zinc/52/59/96/571525996.db2.gz LVQUXHKZDJLRJA-CDZUIXILSA-N 0 1 688.891 5.177 50 0 biogenic KKAAMN O=C(NCc1cccc(F)c1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12 ZINC000169681812 571557767 /nfs/dbraw/zinc/55/77/67/571557767.db2.gz PCRSEICAIJDUFM-RSXGOPAZSA-N 0 1 515.526 5.163 50 0 KKAAMN C[C@@H](c1nnc2n1CCCC2)N(CCCc1c(F)cccc1Cl)CCCc1c(F)cccc1Cl ZINC000225513170 571884052 /nfs/dbraw/zinc/88/40/52/571884052.db2.gz LXXBZMWQWYUQAI-SFHVURJKSA-N 0 1 507.456 6.828 50 0 KKAAMN CC[C@H](C)Oc1ccccc1[C@@H]1C2=C(C[C@H](c3ccc(OC)c(OC)c3)CC2=O)Nc2ccccc2N1C(=O)c1ccccc1 ZINC000225857107 572077985 /nfs/dbraw/zinc/07/79/85/572077985.db2.gz NIWLAWAOUAVREA-STSLRJEXSA-N 0 1 602.731 8.745 50 0 biogenic KKAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2ccc(OC)c(OC(C)C)c2)cc1OC ZINC000263585415 572118091 /nfs/dbraw/zinc/11/80/91/572118091.db2.gz IHYUCPYKBNICIV-SFHVURJKSA-N 0 1 532.545 5.420 50 0 KKAAMN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc2nc(C(C)C)[nH]c2c1 ZINC000263585596 572119240 /nfs/dbraw/zinc/11/92/40/572119240.db2.gz KKHIJKWQUCZCPB-UMPYMBDESA-N 0 1 655.796 6.328 50 0 KKAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2cccc(OC)c2OCCc2ccccc2)cc1OC ZINC000263586159 572122152 /nfs/dbraw/zinc/12/21/52/572122152.db2.gz QTGDWWJFEXBDQH-HSZRJFAPSA-N 0 1 594.616 6.254 50 0 KKAAMN O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC[C@H](COc2ccc(CN3CCN(c4ccccc4)CC3)cc2)C1 ZINC000299755489 572134942 /nfs/dbraw/zinc/13/49/42/572134942.db2.gz DMUARAYHMTUKQH-MHZLTWQESA-N 0 1 535.692 5.330 50 0 KKAAMN O=C(COc1ccc(-c2ncccn2)cc1CN1CCc2ccccc2C1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000299781936 572136394 /nfs/dbraw/zinc/13/63/94/572136394.db2.gz VDKPDWXMGHWMQB-HHHXNRCGSA-N 0 1 532.688 5.877 50 0 KKAAMN CC(C)(C)c1ccc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000226808526 572141311 /nfs/dbraw/zinc/14/13/11/572141311.db2.gz POKKWNDGYCCNNY-RBZQAINGSA-N 0 1 505.412 5.798 50 0 KKAAMN CC(C)(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000226808526 572141316 /nfs/dbraw/zinc/14/13/16/572141316.db2.gz POKKWNDGYCCNNY-RBZQAINGSA-N 0 1 505.412 5.798 50 0 KKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(Br)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=C(C)c3cc(C)ccc3N12 ZINC000226837806 572143300 /nfs/dbraw/zinc/14/33/00/572143300.db2.gz QBGDQVKNLNEOMM-TXQUNOLYSA-N 0 1 541.445 5.710 50 0 KKAAMN CC(=O)[C@@H]1C(=C(O)c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000226838711 572143589 /nfs/dbraw/zinc/14/35/89/572143589.db2.gz RXRRNGSZPYTQOJ-FQJHJXCSSA-N 0 1 503.385 5.556 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4cccc(OC)c4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000226888092 572144520 /nfs/dbraw/zinc/14/45/20/572144520.db2.gz SEBWNEDSEFFUBN-UPRLRBBYSA-N 0 1 516.594 5.324 50 0 KKAAMN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(OC)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC ZINC000226888092 572144523 /nfs/dbraw/zinc/14/45/23/572144523.db2.gz SEBWNEDSEFFUBN-UPRLRBBYSA-N 0 1 516.594 5.324 50 0 KKAAMN CCOc1cc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000226873399 572144678 /nfs/dbraw/zinc/14/46/78/572144678.db2.gz DMWNFBDNJMRPTL-FRXPANAUSA-N 0 1 520.585 5.715 50 0 KKAAMN CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000226873399 572144681 /nfs/dbraw/zinc/14/46/81/572144681.db2.gz DMWNFBDNJMRPTL-FRXPANAUSA-N 0 1 520.585 5.715 50 0 KKAAMN CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000226917696 572145385 /nfs/dbraw/zinc/14/53/85/572145385.db2.gz KWKZEBNITZMECM-OJDZSJEKSA-N 0 1 534.612 6.024 50 0 KKAAMN O=C(c1cccs1)[C@@H]1C(=C(O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000226922055 572145393 /nfs/dbraw/zinc/14/53/93/572145393.db2.gz MOGNANHQJGBVJZ-ALBQUZEBSA-N 0 1 537.040 6.258 50 0 KKAAMN Cc1ccc(C(O)=C2[C@@H](C(=O)c3ccccc3Cl)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227019771 572147375 /nfs/dbraw/zinc/14/73/75/572147375.db2.gz DNYVYVFATVMBQS-ZXFZPVEDSA-N 0 1 559.065 6.895 50 0 KKAAMN COc1cccc(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000227068037 572148924 /nfs/dbraw/zinc/14/89/24/572148924.db2.gz GYVPQSCZAHIGTI-YQQRZDPSSA-N 0 1 560.675 6.311 50 0 KKAAMN CCOc1cc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000227084457 572149695 /nfs/dbraw/zinc/14/96/95/572149695.db2.gz FUWAYZYFEKSGHJ-FRXPANAUSA-N 0 1 589.475 7.022 50 0 KKAAMN 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 572149850 /nfs/dbraw/zinc/14/98/50/572149850.db2.gz NGPGDNUELGEEOY-GXIQWAOMSA-N 0 1 550.655 5.601 50 0 KKAAMN CCOc1cc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000227242570 572152727 /nfs/dbraw/zinc/15/27/27/572152727.db2.gz ULZKVTIAJPOSSB-FRXPANAUSA-N 0 1 599.481 6.478 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccccc3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N32)c1 ZINC000229637969 572158189 /nfs/dbraw/zinc/15/81/89/572158189.db2.gz OHFUJNZLLGQHOQ-RJISQBBCSA-N 0 1 554.646 6.250 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2C(=C(O)c3ccc(C)cc3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000229890704 572165541 /nfs/dbraw/zinc/16/55/41/572165541.db2.gz JKDVOPPSKQIMEM-DEGFIOCKSA-N 0 1 552.674 6.858 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccc(C)cc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229898941 572167275 /nfs/dbraw/zinc/16/72/75/572167275.db2.gz XLSAZBIXAVSVIE-BEJGJRQXSA-N 0 1 587.119 7.457 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3ccc(OC(C)=O)cc3)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229903265 572168059 /nfs/dbraw/zinc/16/80/59/572168059.db2.gz YJQIXJWNMSZHIL-FJLMOIIKSA-N 0 1 584.628 5.477 50 0 KKAAMN CCCCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C=C[C@H]3[C@]23c2ccccc2NC3=O)cc1 ZINC000229907718 572168469 /nfs/dbraw/zinc/16/84/69/572168469.db2.gz PWNHKPOEKRXUKM-GLZHTZPGSA-N 0 1 560.738 7.316 50 0 KKAAMN 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 572170456 /nfs/dbraw/zinc/17/04/56/572170456.db2.gz RFPUSBURMCLQQW-KVOHOPFUSA-N 0 1 590.701 6.320 50 0 KKAAMN CC(C)Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229935517 572171199 /nfs/dbraw/zinc/17/11/99/572171199.db2.gz QPAIKQZCNOUISO-HICIQRJKSA-N 0 1 567.129 7.127 50 0 KKAAMN COc1cccc(C(O)=C2[C@H](C(=O)Nc3ccc(Cl)cc3)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000229937361 572171692 /nfs/dbraw/zinc/17/16/92/572171692.db2.gz JXPUQSZNRYXNKE-CLWMVSBGSA-N 0 1 576.052 5.961 50 0 KKAAMN Cc1ccc(C(O)=C2[C@@H](C(=O)c3ccccc3Cl)N3c4ccccc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229940831 572172032 /nfs/dbraw/zinc/17/20/32/572172032.db2.gz DNYVYVFATVMBQS-XYIJYTLJSA-N 0 1 559.065 6.895 50 0 KKAAMN CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229951742 572173561 /nfs/dbraw/zinc/17/35/61/572173561.db2.gz AKQDAIATEXOWTH-HICIQRJKSA-N 0 1 567.129 7.271 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c1ccc3c(c1)OCO3)[C@]21c2ccccc2NC1=O ZINC000229975515 572176172 /nfs/dbraw/zinc/17/61/72/572176172.db2.gz USPDOZISWIZQIT-JIOPRJIZSA-N 0 1 534.612 5.394 50 0 KKAAMN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccc3c(c2)OCO3)[C@]12C(=O)Nc1ccccc12 ZINC000229994894 572176938 /nfs/dbraw/zinc/17/69/38/572176938.db2.gz XPLLHDKAEAOFPM-WYODCFETSA-N 0 1 554.602 5.580 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3cccc(OC)c3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=Cc4ccccc4N32)c1 ZINC000230031205 572180224 /nfs/dbraw/zinc/18/02/24/572180224.db2.gz QFCRDRIZLIPPSP-XYIJYTLJSA-N 0 1 556.618 5.560 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1OC ZINC000230063424 572182203 /nfs/dbraw/zinc/18/22/03/572182203.db2.gz AXJFRACHOKARFO-JDONGJSOSA-N 0 1 536.628 5.292 50 0 KKAAMN O=C(c1ccccc1Cl)[C@@H]1C(=C(O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000230189296 572185125 /nfs/dbraw/zinc/18/51/25/572185125.db2.gz LEOQLMIJLWMJNP-KCIBBDPESA-N 0 1 531.011 6.196 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c1ccc(F)cc1)[C@@]21C(=O)Nc2ccccc21 ZINC000230200713 572185473 /nfs/dbraw/zinc/18/54/73/572185473.db2.gz MLTJVINZDMTDMW-UCDUTVGFSA-N 0 1 508.593 5.804 50 0 KKAAMN CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)COc5cc(O)c6c(=O)cc(-c7ccccc7)oc6c5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000238950187 572189446 /nfs/dbraw/zinc/18/94/46/572189446.db2.gz WXIZXILJEQMMHV-BZBHIZKWSA-N 0 1 680.926 10.498 50 0 KKAAMN CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(CN[C@@H]3c4ccccc4C(=O)N3C[C@H]3CCCO3)CCC[C@@]21C ZINC000238997396 572190019 /nfs/dbraw/zinc/19/00/19/572190019.db2.gz AFNBJAYDGOHJLH-YLXTWAGZSA-N 0 1 500.727 6.744 50 0 KKAAMN O=C(c1cccs1)[C@@H]1C(=C(O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000245240165 572213838 /nfs/dbraw/zinc/21/38/38/572213838.db2.gz MBAMLEPQTJUKSS-MFUXGYHDSA-N 0 1 502.595 5.604 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(=C(O)c1ccc3c(c1)OCO3)[C@@]21C(=O)Nc2ccccc21 ZINC000245245654 572217784 /nfs/dbraw/zinc/21/77/84/572217784.db2.gz FPLRWFVCYHKRFR-CILKRHGOSA-N 0 1 560.631 5.723 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3Cl)N3c4ccccc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245246851 572220401 /nfs/dbraw/zinc/22/04/01/572220401.db2.gz PRZYEIBVGKCEPV-IANDGLOUSA-N 0 1 561.037 6.205 50 0 KKAAMN COc1cccc(Oc2c(CN(C[C@@H](O)COC(C)(C)C)C[C@H]3CCCO3)c(-c3ccccc3)nn2C)c1 ZINC000245279544 572224135 /nfs/dbraw/zinc/22/41/35/572224135.db2.gz HTKFHQOSJUXRMI-ZEQKJWHPSA-N 0 1 523.674 5.045 50 0 KKAAMN Cc1ccc(C(=O)N2CCCN(C(=O)[C@@H](C)N3CCc4sccc4[C@H]3c3ccccc3C)CC2)cc1 ZINC000245289979 572226289 /nfs/dbraw/zinc/22/62/89/572226289.db2.gz GLOXOEOMNNNGES-QDPGVEIFSA-N 0 1 501.696 5.076 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000245327778 572234467 /nfs/dbraw/zinc/23/44/67/572234467.db2.gz QYVYGXIWUJOHGA-VIJPYWPYSA-N 0 1 566.701 7.194 50 0 KKAAMN 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 572234506 /nfs/dbraw/zinc/23/45/06/572234506.db2.gz RFPUSBURMCLQQW-ZPNDBRHUSA-N 0 1 590.701 6.320 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccc(CC(C)C)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4ccccc4N32)c1 ZINC000245328167 572234873 /nfs/dbraw/zinc/23/48/73/572234873.db2.gz SQNVYPDRDQGODL-GXNLXOAASA-N 0 1 596.727 7.140 50 0 KKAAMN O=C(Nc1cccc(Cl)c1)[C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247490911 572242526 /nfs/dbraw/zinc/24/25/26/572242526.db2.gz MMMBVLQYOTVKMC-SFHVURJKSA-N 0 1 523.862 6.292 50 0 KKAAMN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247494805 572242533 /nfs/dbraw/zinc/24/25/33/572242533.db2.gz NUTOGOBFQCCGMH-KRWDZBQOSA-N 0 1 558.307 6.946 50 0 KKAAMN O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247725602 572243694 /nfs/dbraw/zinc/24/36/94/572243694.db2.gz DFAIJVICVRTTAU-GOSISDBHSA-N 0 1 523.862 6.292 50 0 KKAAMN O=C(Nc1cccc(Cl)c1Cl)[C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247722630 572243726 /nfs/dbraw/zinc/24/37/26/572243726.db2.gz BPIYIYGVFWSNSR-KRWDZBQOSA-N 0 1 558.307 6.946 50 0 KKAAMN O=C(Nc1ccc(F)cc1)[C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247757119 572244759 /nfs/dbraw/zinc/24/47/59/572244759.db2.gz XYCWWDFFYKGRHQ-SFHVURJKSA-N 0 1 507.407 5.778 50 0 KKAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccc(F)cc2F)CC1 ZINC000247840816 572246015 /nfs/dbraw/zinc/24/60/15/572246015.db2.gz FJVUTYANCLFBOR-QHCPKHFHSA-N 0 1 564.080 5.577 50 0 KKAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000247847180 572246291 /nfs/dbraw/zinc/24/62/91/572246291.db2.gz HJMDVTOCDGYVQQ-QFIPXVFZSA-N 0 1 626.521 6.368 50 0 KKAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000247851067 572246312 /nfs/dbraw/zinc/24/63/12/572246312.db2.gz IRNOTFKIXGHSHN-JOCHJYFZSA-N 0 1 532.063 5.379 50 0 KKAAMN COc1ccc(Cn2c(CN3CCC[C@@H](C(=O)N4CCN(c5ccc(C)cc5C)CC4)C3)nc3ccccc32)cc1 ZINC000247860854 572246595 /nfs/dbraw/zinc/24/65/95/572246595.db2.gz GAXQRHMKVHAPHF-MUUNZHRXSA-N 0 1 551.735 5.271 50 0 KKAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000247864526 572246805 /nfs/dbraw/zinc/24/68/05/572246805.db2.gz NZCXCVFOHKFAFN-VWLOTQADSA-N 0 1 572.551 5.344 50 0 KKAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000247861551 572246812 /nfs/dbraw/zinc/24/68/12/572246812.db2.gz MVMFKZXBAIUCFG-RUZDIDTESA-N 0 1 572.551 5.344 50 0 KKAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000247861553 572246847 /nfs/dbraw/zinc/24/68/47/572246847.db2.gz MVMFKZXBAIUCFG-VWLOTQADSA-N 0 1 572.551 5.344 50 0 KKAAMN COc1ccc(Cn2c(CN3CCC[C@H](C(=O)N4CCN(c5cc(C)ccc5C)CC4)C3)nc3ccccc32)cc1 ZINC000247864950 572246862 /nfs/dbraw/zinc/24/68/62/572246862.db2.gz IEMRVUHGKNSWMP-NDEPHWFRSA-N 0 1 551.735 5.271 50 0 KKAAMN Cc1ccc(N2CCN(C(=O)[C@H]3CCCN(Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)c(C)c1 ZINC000247872087 572247068 /nfs/dbraw/zinc/24/70/68/572247068.db2.gz LNJGRHUKNVXOOG-VWLOTQADSA-N 0 1 586.578 5.966 50 0 KKAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000247870097 572247203 /nfs/dbraw/zinc/24/72/03/572247203.db2.gz QIBNJGTUTNXQHB-XMMPIXPASA-N 0 1 596.097 6.318 50 0 KKAAMN COc1ccc(Cn2c(CN3CCC[C@@H](C(=O)N4CCN(c5cccc(Cl)c5)CC4)C3)nc3ccccc32)cc1 ZINC000247871475 572247227 /nfs/dbraw/zinc/24/72/27/572247227.db2.gz DNEXBIXDLRPVID-RUZDIDTESA-N 0 1 558.126 5.307 50 0 KKAAMN Cc1ccc(C)c(N2CCN(C(=O)[C@H]3CCCN(Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)c1 ZINC000247881016 572247741 /nfs/dbraw/zinc/24/77/41/572247741.db2.gz RDFDXHVNHQLXEE-VWLOTQADSA-N 0 1 586.578 5.966 50 0 KKAAMN Cc1cccc(C)c1N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000247877318 572247895 /nfs/dbraw/zinc/24/78/95/572247895.db2.gz PMCYWPUHFDUGMA-RUZDIDTESA-N 0 1 586.578 5.966 50 0 KKAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N(C1CCCCC1)C1CCCCC1 ZINC000247879043 572248108 /nfs/dbraw/zinc/24/81/08/572248108.db2.gz VBTOWVZIGGQYLA-XMMPIXPASA-N 0 1 577.611 7.494 50 0 KKAAMN Cc1ccc(N2CCN(C(=O)[C@H]3CCCN(Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)c(C)c1 ZINC000247899969 572249032 /nfs/dbraw/zinc/24/90/32/572249032.db2.gz YYXBDPLOLUMWHF-VWLOTQADSA-N 0 1 586.578 5.966 50 0 KKAAMN O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000247949122 572250281 /nfs/dbraw/zinc/25/02/81/572250281.db2.gz RXMINRKATVJMAS-NRFANRHFSA-N 0 1 655.424 6.291 50 0 KKAAMN O=C(c1ccccc1Cl)N1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000247941993 572250310 /nfs/dbraw/zinc/25/03/10/572250310.db2.gz QAAGOHJOPWRVKK-DEOSSOPVSA-N 0 1 590.555 5.588 50 0 KKAAMN CC(C)n1c2ccccc2nc1CN1CCC[C@H](C(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)C1 ZINC000247970116 572251269 /nfs/dbraw/zinc/25/12/69/572251269.db2.gz CVDAHIXCSIKBCL-NRFANRHFSA-N 0 1 513.608 5.197 50 0 KKAAMN CCCCN(CCC)C(=O)[C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000248025741 572252647 /nfs/dbraw/zinc/25/26/47/572252647.db2.gz WBYNSQPNMALRTQ-NRFANRHFSA-N 0 1 511.508 6.039 50 0 KKAAMN COc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)cc1 ZINC000248132217 572254742 /nfs/dbraw/zinc/25/47/42/572254742.db2.gz LDTGQIZAYNSNJX-IBGZPJMESA-N 0 1 519.443 5.647 50 0 KKAAMN COc1ccc(NC(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)cc1 ZINC000248132217 572254743 /nfs/dbraw/zinc/25/47/43/572254743.db2.gz LDTGQIZAYNSNJX-IBGZPJMESA-N 0 1 519.443 5.647 50 0 KKAAMN COc1cccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)c1 ZINC000248132477 572254784 /nfs/dbraw/zinc/25/47/84/572254784.db2.gz LIWKFODRJVSXHM-VWLOTQADSA-N 0 1 558.126 5.307 50 0 KKAAMN COc1cccc(N2CCN(C(=O)[C@H]3CCCN(Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)c1 ZINC000248132477 572254785 /nfs/dbraw/zinc/25/47/85/572254785.db2.gz LIWKFODRJVSXHM-VWLOTQADSA-N 0 1 558.126 5.307 50 0 KKAAMN COc1ccccc1N1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000248145119 572255377 /nfs/dbraw/zinc/25/53/77/572255377.db2.gz SCYMZWGCVQESMG-VWLOTQADSA-N 0 1 558.126 5.307 50 0 KKAAMN Cc1ccc(N2CCN(C(=O)[C@H]3CCCN(Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)cc1C ZINC000248172614 572256263 /nfs/dbraw/zinc/25/62/63/572256263.db2.gz XEKMMOJCSBWSIR-VWLOTQADSA-N 0 1 525.672 5.342 50 0 KKAAMN CC(C)(C)C(=O)[C@@H]1[C@H](C(=O)c2ccc(Br)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000248236549 572256770 /nfs/dbraw/zinc/25/67/70/572256770.db2.gz CHJHJUPTLFDOAO-PCEYSVKOSA-N 0 1 555.472 6.038 50 0 KKAAMN C[C@@H](NC(=O)[C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)c1ccccc1 ZINC000248262276 572257521 /nfs/dbraw/zinc/25/75/21/572257521.db2.gz RCSJLSWMZMUQPD-IRLDBZIGSA-N 0 1 517.471 5.877 50 0 KKAAMN CCCCN(CCCC)C(=O)[C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000248270725 572257603 /nfs/dbraw/zinc/25/76/03/572257603.db2.gz ZJQPMHDIWJAZIW-QFIPXVFZSA-N 0 1 525.535 6.429 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c2ccc(F)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000248299272 572257882 /nfs/dbraw/zinc/25/78/82/572257882.db2.gz ZHXMHXAMVWYVPG-JIOPRJIZSA-N 0 1 522.620 6.113 50 0 KKAAMN CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C(C)=C[C@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000248292078 572257914 /nfs/dbraw/zinc/25/79/14/572257914.db2.gz UNARJIQHQMBRBX-REYBDAFNSA-N 0 1 546.711 6.926 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2C(=C(O)c3ccccc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)cc1 ZINC000248329217 572258175 /nfs/dbraw/zinc/25/81/75/572258175.db2.gz CYZCJQRBAXQVNH-RAESKKBESA-N 0 1 540.619 5.941 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(=C(O)c1ccc(Cl)cc1)[C@]21C(=O)Nc2ccccc21 ZINC000248339264 572258444 /nfs/dbraw/zinc/25/84/44/572258444.db2.gz SNBOTEQUDBQPDP-CTMYTVLESA-N 0 1 545.038 6.586 50 0 KKAAMN C=CC(=O)Nc1ccc(CN2c3nc(Nc4ccc(N5CCN(C)CC5)cc4)ncc3CN(c3cc(OC)cc(OC)c3)C2=O)cc1 ZINC000250363839 572258919 /nfs/dbraw/zinc/25/89/19/572258919.db2.gz DVBPRWJMHURKHP-UHFFFAOYSA-N 0 1 634.741 5.261 50 0 in-vitro KKAAMN CCc1ccccc1N1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3Cc3ccc(OC)cc3)C2)CC1 ZINC000252014932 572259839 /nfs/dbraw/zinc/25/98/39/572259839.db2.gz VCHGAFODUWOKBJ-NDEPHWFRSA-N 0 1 551.735 5.216 50 0 KKAAMN CC(C)c1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)cc1 ZINC000252241535 572259934 /nfs/dbraw/zinc/25/99/34/572259934.db2.gz KIMWTZLUPPMJNU-NDEPHWFRSA-N 0 1 570.181 6.422 50 0 KKAAMN CC(C)c1ccc(N2CCN(C(=O)[C@H]3CCCN(Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)cc1 ZINC000252241535 572259935 /nfs/dbraw/zinc/25/99/35/572259935.db2.gz KIMWTZLUPPMJNU-NDEPHWFRSA-N 0 1 570.181 6.422 50 0 KKAAMN CC(C)c1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)cc1 ZINC000252253055 572259949 /nfs/dbraw/zinc/25/99/49/572259949.db2.gz LZOIFNWXAUTNQS-SANMLTNESA-N 0 1 600.605 6.472 50 0 KKAAMN CC(C)c1ccc(N2CCN(C(=O)[C@H]3CCCN(Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)cc1 ZINC000252253055 572259950 /nfs/dbraw/zinc/25/99/50/572259950.db2.gz LZOIFNWXAUTNQS-SANMLTNESA-N 0 1 600.605 6.472 50 0 KKAAMN O=c1c(=Cc2cc(Cl)cc(Cl)c2O)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000252668904 572274319 /nfs/dbraw/zinc/27/43/19/572274319.db2.gz FWVYMZXRYVJDSE-JOCHJYFZSA-N 0 1 511.455 5.393 50 0 KKAAMN C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN([C@H](c5ccccc5)c5ccc(Cl)cc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000252693616 572281577 /nfs/dbraw/zinc/28/15/77/572281577.db2.gz FGXQERORDNVKRX-OWFDJSTRSA-N 0 1 535.128 5.332 50 0 KKAAMN Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@@H]2C)c(C)c1 ZINC000253388973 572283142 /nfs/dbraw/zinc/28/31/42/572283142.db2.gz KUGOJTZHVXDPIL-MUAVYFROSA-N 0 1 569.768 5.072 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3cccc(OC)c3)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000253487447 572290536 /nfs/dbraw/zinc/29/05/36/572290536.db2.gz KNZGIGYEWUSNDD-JVNOLKNPSA-N 0 1 584.672 6.258 50 0 KKAAMN CCCc1ccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4Cc4ccc(OC)cc4)C3)CC2)cc1 ZINC000253607294 572301005 /nfs/dbraw/zinc/30/10/05/572301005.db2.gz JFTFMJBDKCHXTK-GDLZYMKVSA-N 0 1 565.762 5.607 50 0 KKAAMN CC(C)c1ccccc1N1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000253607601 572301054 /nfs/dbraw/zinc/30/10/54/572301054.db2.gz ZDYVIJNYFJAFTP-MHZLTWQESA-N 0 1 570.181 6.422 50 0 KKAAMN CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]2O[C@H](SC)[C@H](O)[C@@H]3O[C@H](c4ccc(OC)cc4)O[C@H]32)N(C)C1 ZINC000257359386 572322167 /nfs/dbraw/zinc/32/21/67/572322167.db2.gz ZXIDTTGVCKUJNE-YUDPKKRRSA-N 0 1 767.001 6.929 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)Nc3ccc4nc(C)[nH]c4c3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409413902 1069810727 /nfs/dbraw/zinc/81/07/27/1069810727.db2.gz GCNPVQNSQCCGSM-SQHAQQRYSA-N 0 1 645.782 5.220 50 0 KKAAMN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc2nc(C)[nH]c2c1 ZINC000409414800 1069812334 /nfs/dbraw/zinc/81/23/34/1069812334.db2.gz ORCSDDXRZCRAIF-MHJFCCQBSA-N 0 1 627.742 5.513 50 0 KKAAMN COC(=O)C[C@@H](c1ccc(C(C)C)cc1)c1c(O)c(C(C)=O)cc([C@@H]2OCc3cnc(C)c(O)c32)c1O ZINC000524730180 1069831891 /nfs/dbraw/zinc/83/18/91/1069831891.db2.gz YOFFZPHGIPRJHC-LGGPFLRQSA-N 0 1 505.567 5.147 50 0 KKAAMN CCN(CC)c1ccc(NC(=O)/C=C\c2ccc(OS(=O)(=O)c3cc(C)ccc3C)c(OC)c2)cc1S(=O)(=O)Nc1ccccc1OC ZINC000158409320 1069839175 /nfs/dbraw/zinc/83/91/75/1069839175.db2.gz WFNSYOFRQDOZDP-SILNSSARSA-N 0 1 693.844 6.387 50 0 KKAAMN O=C(Cc1cccs1)N1CCCC[C@@H]1CCOc1cccc(CN2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000102124669 1069843593 /nfs/dbraw/zinc/84/35/93/1069843593.db2.gz OBWIGMITJPMZTA-AREMUKBSSA-N 0 1 538.157 6.116 50 0 KKAAMN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc2nc(CC(C)C)[nH]c2c1 ZINC000409413436 1070927835 /nfs/dbraw/zinc/92/78/35/1070927835.db2.gz LRVIMHVVRUDHAZ-VHMPYBCVSA-N 0 1 669.823 6.403 50 0 KKAAMN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3cc(Cl)ccc3N3CCN(C)CC3)C2=O)cc1C ZINC000013424691 1070950632 /nfs/dbraw/zinc/95/06/32/1070950632.db2.gz AOLKEIWDSGWETN-BWAHOGKJSA-N 0 1 501.030 5.349 50 0 KKAAMN O=C1c2ccccc2C(=CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)C(=O)N1c1cccc(Cl)c1 ZINC000103004677 1070970635 /nfs/dbraw/zinc/97/06/35/1070970635.db2.gz MTDRAXIEVQKPJL-PXLXIMEGSA-N 0 1 537.022 5.237 50 0 KKAAMN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(-c2cc3ccccc3[nH]2)n[nH]1 ZINC000888090271 1071063226 /nfs/dbraw/zinc/06/32/26/1071063226.db2.gz PGERWJLHYICYQT-ZBVFCZEXSA-N 0 1 679.778 5.595 50 0 KKAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c(CCCc2c[nH]c3ccccc23)n1 ZINC000888089354 1071059757 /nfs/dbraw/zinc/05/97/57/1071059757.db2.gz XCNTVFJFDXIERL-LZOBPNDHSA-N 0 1 721.859 6.103 50 0 KKAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(CCCc2c[nH]c3ccccc23)n[nH]1 ZINC000888089354 1071059762 /nfs/dbraw/zinc/05/97/62/1071059762.db2.gz XCNTVFJFDXIERL-LZOBPNDHSA-N 0 1 721.859 6.103 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)Nc3nc(C4CCCCC4)n[nH]3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000888090791 1071066295 /nfs/dbraw/zinc/06/62/95/1071066295.db2.gz UZTVGRVLBHSSNM-RSXGOPAZSA-N 0 1 664.829 5.201 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)Nc3n[nH]c(C4CCCCC4)n3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000888090791 1071066303 /nfs/dbraw/zinc/06/63/03/1071066303.db2.gz UZTVGRVLBHSSNM-RSXGOPAZSA-N 0 1 664.829 5.201 50 0 KKAAMN CCOC(=O)c1c(NC=C2c3ccccc3C(=O)N(c3cccc(S(=O)(=O)Nc4ccccc4OC)c3)C2=O)sc2c1CCCC2 ZINC000150386699 1071170460 /nfs/dbraw/zinc/17/04/60/1071170460.db2.gz CJCLPZHCKNQTSJ-QOMWVZHYSA-N 0 1 657.770 6.253 50 0 KKAAMN CCOC(=O)c1c(C)c(C)sc1NC=C1c2ccccc2C(=O)N(c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)C1=O ZINC000150620669 1071175751 /nfs/dbraw/zinc/17/57/51/1071175751.db2.gz LJRZEHCHUOYHFN-BWAHOGKJSA-N 0 1 631.732 5.991 50 0 KKAAMN CCOC(=O)N1CCC([N@H+]2CCOc3c(cc(-c4ccc(C)s4)cc3OC[C@H]3CCCCO3)C2)CC1 ZINC000012327178 1071226943 /nfs/dbraw/zinc/22/69/43/1071226943.db2.gz PPQUALLNHMZHCB-XMMPIXPASA-N 0 1 514.688 5.487 50 0 KKAAMN CCOC(=O)N1CCC(N2CCOc3c(cc(-c4ccc(C)s4)cc3OC[C@H]3CCCCO3)C2)CC1 ZINC000012327178 1071226956 /nfs/dbraw/zinc/22/69/56/1071226956.db2.gz PPQUALLNHMZHCB-XMMPIXPASA-N 0 1 514.688 5.487 50 0 KKAAMN CN(Cc1ccsc1)Cc1cccc(OC2CCN(C(=O)c3cccc(-c4cccc(F)c4)c3)CC2)c1 ZINC000011981983 1071234596 /nfs/dbraw/zinc/23/45/96/1071234596.db2.gz FYITYTRDDMERCW-UHFFFAOYSA-N 0 1 514.666 6.870 50 0 KKAAMN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc(-c2nc(COC)n[nH]2)cc1 ZINC000604404618 1071270739 /nfs/dbraw/zinc/27/07/39/1071270739.db2.gz GCDZLGORNNUQKQ-WWDMOCDSSA-N 0 1 684.794 5.260 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@H]1N2[C@H](C(=O)c2cccs2)C(=C(O)c2ccc(Cl)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000604419622 1071275208 /nfs/dbraw/zinc/27/52/08/1071275208.db2.gz PJICONYPPBJKPV-UUQNIDNHSA-N 0 1 565.094 6.956 50 0 KKAAMN Cc1ccc(-c2nn(-c3ccccc3)cc2C=NN=C2NC(=O)C(Cc3ccc(SC(F)F)cc3)S2)o1 ZINC000001452964 1071339507 /nfs/dbraw/zinc/33/95/07/1071339507.db2.gz CDJLXHMGTRYBFE-JOCHJYFZSA-N 0 1 537.617 5.920 50 0 KKAAMN CCCCCCCCCCCCCCCCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000097970736 1072836892 /nfs/dbraw/zinc/83/68/92/1072836892.db2.gz AUAOQHKWVRBZHW-YTTGMZPUSA-N 0 1 563.779 8.763 50 0 KKAAMN Cc1cc(C=N/N=C2\NC(=O)C(Cc3ccc(SC(F)F)cc3)S2)c(C)n1-c1ccc(Br)cc1 ZINC000254303709 1072845864 /nfs/dbraw/zinc/84/58/64/1072845864.db2.gz YMPDNFCMYDPLFT-OAQYLSRUSA-N 0 1 563.493 6.336 50 0 KKAAMN COc1ccc(/C=C/C(=O)O[C@H](c2cccnc2)[P@](=O)(O[C@@H]2C[C@H](C(C)C)CC[C@H]2C)O[C@@H]2C[C@H](C(C)C)CC[C@@H]2C)cc1 ZINC000254594301 1072866363 /nfs/dbraw/zinc/86/63/63/1072866363.db2.gz BGLKDUSYCRWUGX-QLLUGJOISA-N 0 1 625.787 9.493 50 0 KKAAMN CCN(CC)c1ccc(CN=Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[N+](=O)[O-])c(O)c1 ZINC000254699455 1072870285 /nfs/dbraw/zinc/87/02/85/1072870285.db2.gz VVHLVOWKTCMEJF-UHFFFAOYSA-N 0 1 517.995 5.047 50 0 KKAAMN Cc1cc(C(=O)N2CCCC[C@H]2CCOc2cccc(CN3CCN(c4cccc(Cl)c4)CC3)c2)n(C)n1 ZINC000015068575 1072896277 /nfs/dbraw/zinc/89/62/77/1072896277.db2.gz JDFAUVDBMBBIOF-SANMLTNESA-N 0 1 536.120 5.168 50 0 KKAAMN O=C(c1ccncc1)N1CCCC[C@H]1CCOc1cccc(CN2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000015006737 1072896404 /nfs/dbraw/zinc/89/64/04/1072896404.db2.gz IKMIWNXVEMWELP-MHZLTWQESA-N 0 1 519.089 5.521 50 0 KKAAMN O=C(c1ccco1)N1CCCC[C@H]1CCOc1cccc(CN2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000055089067 1072899224 /nfs/dbraw/zinc/89/92/24/1072899224.db2.gz SJNHBJOHQKCUMK-VWLOTQADSA-N 0 1 508.062 5.719 50 0 KKAAMN O=C1NC(=O)[C@](CCc2ccccn2)(Cc2cccc(Cl)c2Cl)C(=O)N1c1ccc(Br)cc1 ZINC000001115171 132223790 /nfs/dbraw/zinc/22/37/90/132223790.db2.gz MEQXSWQKIFVZEC-DEOSSOPVSA-N 0 1 547.236 5.596 50 0 KKAAMN CC(=O)Nc1ccc2[nH]c(-c3ccc(-c4ccc(-c5nc6ccc(NC(C)=O)cc6[nH]5)cc4)cc3)nc2c1 ZINC000000659190 551514850 /nfs/dbraw/zinc/51/48/50/551514850.db2.gz DTHKGFQVBOHQCU-UHFFFAOYSA-N 0 1 500.562 6.357 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2cnn3c2N[C@@H](c2ccccc2)C[C@@H]3C(F)F)cc1 ZINC000000900544 551564771 /nfs/dbraw/zinc/56/47/71/551564771.db2.gz ZSXQOVFKYKTBRY-DHIUTWEWSA-N 0 1 553.591 5.308 50 0 KKAAMN COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)c(Cl)c1Cl ZINC000000982573 551592082 /nfs/dbraw/zinc/59/20/82/551592082.db2.gz ACKPNANPVOJKNU-UHFFFAOYSA-N 0 1 556.276 5.910 50 0 KKAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)N3c4ccccc4Sc4ccccc43)cc2)n1 ZINC000001073993 551603310 /nfs/dbraw/zinc/60/33/10/551603310.db2.gz URCBFXDXIMBUPP-UHFFFAOYSA-N 0 1 503.609 5.729 50 0 KKAAMN O=S(=O)(Nc1ccc(Br)cc1)c1cc(S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl ZINC000001196628 551622729 /nfs/dbraw/zinc/62/27/29/551622729.db2.gz RYKZMYMADKYMNC-UHFFFAOYSA-N 0 1 521.241 5.390 50 0 KKAAMN O=C1c2cccc(Cl)c2C(=O)N1c1ccc(-c2nc3ccc(N4C(=O)c5cccc(Cl)c5C4=O)cc3[nH]2)cc1 ZINC000001225262 551628937 /nfs/dbraw/zinc/62/89/37/551628937.db2.gz XXVJGUUKYUXRDY-UHFFFAOYSA-N 0 1 553.361 6.138 50 0 KKAAMN CCCN(CCC)Cc1c(OC(=O)c2ccc(F)cc2)ccc2c(=O)c(Oc3ccc(C)c(C)c3)c(C(F)(F)F)oc21 ZINC000001785118 551699177 /nfs/dbraw/zinc/69/91/77/551699177.db2.gz VYGFAPDQNRVUKO-UHFFFAOYSA-N 0 1 585.594 8.201 50 0 KKAAMN O=C1C(Nc2ccc(Br)cc2)=C[C@@H](c2ccc(F)cc2)N1c1ccc(Br)cc1 ZINC000001829132 551710974 /nfs/dbraw/zinc/71/09/74/551710974.db2.gz HXJOAKBSYHMSJK-NRFANRHFSA-N 0 1 502.181 6.435 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)cc1OC ZINC000001875728 551722126 /nfs/dbraw/zinc/72/21/26/551722126.db2.gz BXXVVYZUTAEBKP-CYXNTTPDSA-N 0 1 551.437 5.688 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000001875635 551722150 /nfs/dbraw/zinc/72/21/50/551722150.db2.gz DEWWSCGSCXXTIC-FCEKVYKBSA-N 0 1 589.431 6.272 50 0 KKAAMN CCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000001878252 551723425 /nfs/dbraw/zinc/72/34/25/551723425.db2.gz AJACMJRKDCTOFA-CYXNTTPDSA-N 0 1 551.437 5.688 50 0 KKAAMN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)cc1 ZINC000002147950 551776510 /nfs/dbraw/zinc/77/65/10/551776510.db2.gz KOPVBKUFCSTRAV-UHFFFAOYSA-N 0 1 547.847 7.492 50 0 KKAAMN FC(F)(F)c1cc(-n2c(CCc3nc(-c4ccc(Cl)cc4)no3)n[nH]c2=S)cc(C(F)(F)F)c1 ZINC000002161028 551780728 /nfs/dbraw/zinc/78/07/28/551780728.db2.gz KWVSWWMSWCHKPW-UHFFFAOYSA-N 0 1 519.858 6.456 50 0 KKAAMN CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(-c2ccccc2)c1CN1CCCC[C@@H]1C ZINC000002190999 551789922 /nfs/dbraw/zinc/78/99/22/551789922.db2.gz ULVSGHLHXYPSAO-KRWDZBQOSA-N 0 1 513.432 5.869 50 0 KKAAMN Cc1ccc(/C=C2\CN(C)CC3=C2N=C2SC=C(c4ccc5c(c4)OCCO5)N2[C@H]3c2ccc(C)cc2)cc1 ZINC000002210037 551793977 /nfs/dbraw/zinc/79/39/77/551793977.db2.gz ZJZDVLOZDBWHTP-YQBGIYLHSA-N 0 1 533.697 6.816 50 0 KKAAMN O=C(Oc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1)c1ccccc1 ZINC000002419879 552115623 /nfs/dbraw/zinc/11/56/23/552115623.db2.gz AZTWLJFHYAFNLG-VJGNERBWSA-N 0 1 524.960 5.610 50 0 KKAAMN Cc1ccc([C@@H]2N[C@H](c3ccc(C)cc3)C3C(=O)C2[C@H](c2ccc(C)cc2)N[C@@H]3c2ccc(C)cc2)cc1 ZINC000002541179 552128158 /nfs/dbraw/zinc/12/81/58/552128158.db2.gz ZXBIKBZGIDVZNP-LLSWJAHXSA-N 0 1 500.686 7.193 50 0 KKAAMN O=C1C(Nc2ccc(Br)cc2)=C[C@H](c2ccc(Br)cc2)N1c1ccc(Br)cc1 ZINC000002591620 552132996 /nfs/dbraw/zinc/13/29/96/552132996.db2.gz OQLLPHLXATWDKK-OAQYLSRUSA-N 0 1 563.087 7.058 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3ccc(C)cc3)N3c4ccc(C)cc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000002595868 552134560 /nfs/dbraw/zinc/13/45/60/552134560.db2.gz LDAYFPOFXXVTBH-DQGIEBHESA-N 0 1 568.673 6.558 50 0 KKAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=S)NCc2cccs2)cc1 ZINC000002636794 552141282 /nfs/dbraw/zinc/14/12/82/552141282.db2.gz WLHSYFZGHNCZCI-UHFFFAOYSA-N 0 1 526.503 5.197 50 0 KKAAMN COc1ccc2[nH]c3c([nH]c(=S)n(Cc4ccc(C(=O)NCc5ccc(Cl)cc5)cc4)c3=O)c2c1 ZINC000002690272 552158396 /nfs/dbraw/zinc/15/83/96/552158396.db2.gz PURZHUFNOBECOD-UHFFFAOYSA-N 0 1 504.999 5.181 50 0 KKAAMN O=c1oc2cc(O)ccc2cc1-c1nnc(Nc2ccc(Oc3ccc(Cl)c4ccccc34)c(Cl)c2)s1 ZINC000002956027 552230866 /nfs/dbraw/zinc/23/08/66/552230866.db2.gz WBNZEXMDJTWBKB-UHFFFAOYSA-N 0 1 548.407 8.013 50 0 biogenic KKAAMN O=C(c1ccc(Cn2c(=O)c3cc(Br)ccc3[nH]c2=S)cc1)N1CC=C(c2ccccc2)CC1 ZINC000002973692 552245504 /nfs/dbraw/zinc/24/55/04/552245504.db2.gz JDJSODKZHOQCNI-UHFFFAOYSA-N 0 1 532.463 5.799 50 0 KKAAMN O=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1Oc1ccc(Cl)cc1Cl ZINC000003170840 552299368 /nfs/dbraw/zinc/29/93/68/552299368.db2.gz BUKJJXLHAGPYRK-UHFFFAOYSA-N 0 1 530.273 7.624 50 0 KKAAMN O=C(c1ccccc1[N-]S(=O)(=O)c1cccs1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000003204238 552304359 /nfs/dbraw/zinc/30/43/59/552304359.db2.gz HJNAPSJCPXWSOC-UHFFFAOYSA-N 0 1 517.676 5.096 50 0 KKAAMN O=C(c1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(Cl)cc1Cl)N1CCN(c2ccccc2F)CC1 ZINC000003217099 552308007 /nfs/dbraw/zinc/30/80/07/552308007.db2.gz KKOFJHKGVUKNFU-UHFFFAOYSA-N 0 1 542.847 5.549 50 0 KKAAMN Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)cc12 ZINC000003230999 552315503 /nfs/dbraw/zinc/31/55/03/552315503.db2.gz FHWJAUJCKBGDRQ-UHFFFAOYSA-N 0 1 553.069 5.509 50 0 KKAAMN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(F)c(F)c3F)c(Cl)cc2Cl)cc1 ZINC000003230944 552315567 /nfs/dbraw/zinc/31/55/67/552315567.db2.gz PQHMHHDUSZEGCV-UHFFFAOYSA-N 0 1 519.328 5.863 50 0 KKAAMN CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1 ZINC000003300651 552345847 /nfs/dbraw/zinc/34/58/47/552345847.db2.gz KDCBZQALLDTKLN-OAHLLOKOSA-N 0 1 504.967 5.026 50 0 KKAAMN CCc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1 ZINC000003300654 552345872 /nfs/dbraw/zinc/34/58/72/552345872.db2.gz KDCBZQALLDTKLN-HNNXBMFYSA-N 0 1 504.967 5.026 50 0 KKAAMN CCOc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Oc2ccc(Br)cc2)cc1 ZINC000003326404 552357358 /nfs/dbraw/zinc/35/73/58/552357358.db2.gz YFJMIJLXSQJOHL-UHFFFAOYSA-N 0 1 516.335 6.460 50 0 KKAAMN COc1cccc(NC(=O)[C@H](OC(=O)c2ccccc2NS(=O)(=O)c2cc(C)ccc2C)c2ccccc2)c1 ZINC000003332022 552359841 /nfs/dbraw/zinc/35/98/41/552359841.db2.gz CZWOVCXZUIEYPV-MUUNZHRXSA-N 0 1 544.629 5.650 50 0 KKAAMN O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1)N(Cc1ccccc1)Cc1ccccc1 ZINC000003477074 552390330 /nfs/dbraw/zinc/39/03/30/552390330.db2.gz GTISAJHMXWJEAA-UHFFFAOYSA-N 0 1 567.038 5.666 50 0 KKAAMN FC(F)(F)CCSc1ccccc1NC(=S)NNc1c(Cl)c(Cl)nc(Cl)c1Cl ZINC000003771018 552416243 /nfs/dbraw/zinc/41/62/43/552416243.db2.gz VLTDVXGGTNSERI-UHFFFAOYSA-N 0 1 510.221 7.053 50 0 KKAAMN CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1 ZINC000004594505 552469296 /nfs/dbraw/zinc/46/92/96/552469296.db2.gz UVJRTNLUJZSICQ-IBGZPJMESA-N 0 1 551.665 5.236 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCCN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000004761898 552478273 /nfs/dbraw/zinc/47/82/73/552478273.db2.gz LPYDEHCQWKPZTP-SSEXGKCCSA-N 0 1 621.754 5.297 50 0 KKAAMN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCCN2CCN(c3ccccc3)CC2)cc1 ZINC000004762143 552478751 /nfs/dbraw/zinc/47/87/51/552478751.db2.gz NKXLBZYMLIXWKW-GDLZYMKVSA-N 0 1 634.202 5.060 50 0 KKAAMN Cc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCCN3CCN(c4ccc(F)cc4)CC3)C2=S)cc1 ZINC000004762166 552478758 /nfs/dbraw/zinc/47/87/58/552478758.db2.gz AGHPOXNMDMVCOD-MUUNZHRXSA-N 0 1 594.156 5.331 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCCN2CCN(c3ccccc3)CC2)cc1 ZINC000004762126 552478787 /nfs/dbraw/zinc/47/87/87/552478787.db2.gz VEXYMZOXVVSUFN-PMERELPUSA-N 0 1 620.219 5.672 50 0 KKAAMN C[N@@H+]1CCc2ccccc2[C@H]1Cc1ccccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000006102567 552534426 /nfs/dbraw/zinc/53/44/26/552534426.db2.gz FMTODOGGTULXOJ-HSZRJFAPSA-N 0 1 528.518 6.297 50 0 KKAAMN C[N@H+]1CCc2ccccc2[C@H]1Cc1ccccc1[N-]S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000006102567 552534429 /nfs/dbraw/zinc/53/44/29/552534429.db2.gz FMTODOGGTULXOJ-HSZRJFAPSA-N 0 1 528.518 6.297 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc(Br)c(C)c2)cc1 ZINC000006141688 552542950 /nfs/dbraw/zinc/54/29/50/552542950.db2.gz FSIOQVHNQKXUCL-NTEUORMPSA-N 0 1 501.402 5.219 50 0 KKAAMN C[C@@H](OC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000006141872 552542960 /nfs/dbraw/zinc/54/29/60/552542960.db2.gz PITTXPMUUNFBNG-HSZRJFAPSA-N 0 1 586.666 5.033 50 0 KKAAMN CCCc1oc2c(cc(NS(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4)c3ccccc23)c1C(=O)OCC ZINC000006142944 552544569 /nfs/dbraw/zinc/54/45/69/552544569.db2.gz UCBZLRALTOKICJ-UHFFFAOYSA-N 0 1 528.586 6.235 50 0 KKAAMN Oc1cc(OCc2ccc(Br)cc2)ccc1-c1[nH]nc(C(F)(F)F)c1-c1ccc(Cl)cc1 ZINC000006144050 552545541 /nfs/dbraw/zinc/54/55/41/552545541.db2.gz YSQIAENQLTWNKD-UHFFFAOYSA-N 0 1 523.736 7.463 50 0 KKAAMN CCn1c2ccccc2c2cc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)cc3C)ccc21 ZINC000006146358 552547998 /nfs/dbraw/zinc/54/79/98/552547998.db2.gz AJGPWRBUABVBJI-UHFFFAOYSA-N 0 1 501.583 6.315 50 0 KKAAMN Cc1cc2sc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(Br)cc3)nc2c(C)c1 ZINC000006146598 552548223 /nfs/dbraw/zinc/54/82/23/552548223.db2.gz HFDBCWMXXMYBPV-UHFFFAOYSA-N 0 1 516.442 5.729 50 0 KKAAMN O=c1/c(=C\c2cc(Cl)cc(Cl)c2O)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000008417924 553013053 /nfs/dbraw/zinc/01/30/53/553013053.db2.gz FWVYMZXRYVJDSE-WYWXSHKMSA-N 0 1 511.455 5.393 50 0 KKAAMN Cc1oc(-c2cccc(C)c2)nc1CN1CCC[C@@H](C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)C1 ZINC000008597889 553094347 /nfs/dbraw/zinc/09/43/47/553094347.db2.gz ZCRBWOCNAMRUDA-XMMPIXPASA-N 0 1 507.078 5.481 50 0 KKAAMN O=C1NC(=O)[C@]2(Cc3cccc(F)c3N3CC[C@H](c4ccccc4)C[C@H]32)C(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000008695433 553121710 /nfs/dbraw/zinc/12/17/10/553121710.db2.gz MAXQVMWNRPMCRJ-ULNHTAIJSA-N 0 1 537.513 5.423 50 0 KKAAMN Clc1ccc2c(c1)[C@@H]1CC(c3ccc(Br)cc3)=NN1C1(CCN(Cc3ccccc3)CC1)O2 ZINC000008717713 553129143 /nfs/dbraw/zinc/12/91/43/553129143.db2.gz IMTHVRJQTXXHOU-VWLOTQADSA-N 0 1 522.874 6.638 50 0 KKAAMN Fc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2OC32CCN(Cc3ccccc3)CC2)cc1 ZINC000008717732 553129147 /nfs/dbraw/zinc/12/91/47/553129147.db2.gz MSOGOSVMOWOHIT-RUZDIDTESA-N 0 1 506.419 6.124 50 0 KKAAMN Fc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2OC32CCN(Cc3ccccc3)CC2)cc1 ZINC000008717731 553129186 /nfs/dbraw/zinc/12/91/86/553129186.db2.gz MSOGOSVMOWOHIT-VWLOTQADSA-N 0 1 506.419 6.124 50 0 KKAAMN COc1ccc(Nc2cc(C(=O)NCCCN3CCN(c4ccc(F)cc4)CC3)c3ccccc3n2)cc1 ZINC000008814244 553151344 /nfs/dbraw/zinc/15/13/44/553151344.db2.gz POLPKXIUQOZVJN-UHFFFAOYSA-N 0 1 513.617 5.068 50 0 KKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(Cl)c(C)cc4O)c3[C@@H]2c2ccc(F)cc2)cc1OC ZINC000008845454 553165617 /nfs/dbraw/zinc/16/56/17/553165617.db2.gz SLOWVUSXRSLAOF-MHZLTWQESA-N 0 1 521.976 5.688 50 0 KKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(C)cc(C)c4O)c3[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000008845556 553165823 /nfs/dbraw/zinc/16/58/23/553165823.db2.gz WUDFOMAMGMYFCC-MUUNZHRXSA-N 0 1 513.594 5.213 50 0 KKAAMN CC(C)CCOc1cccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2Cc2ccc3c(c2)OCO3)c1 ZINC000008845506 553165839 /nfs/dbraw/zinc/16/58/39/553165839.db2.gz RLBNSANVVKUPHA-LJAQVGFWSA-N 0 1 511.578 5.681 50 0 KKAAMN COc1cccc2c1OC1(CCN(Cc3ccccc3)CC1)N1N=C(c3ccccc3OC(F)F)C[C@H]21 ZINC000009042254 553202481 /nfs/dbraw/zinc/20/24/81/553202481.db2.gz DVYGXYXQEZBGQB-XMMPIXPASA-N 0 1 505.565 5.832 50 0 KKAAMN CC(C)(C)C(=O)[C@@H]1[C@H](C(=O)c2ccc3c(c2)OCO3)[C@@]2(c3ccccc3NC2=O)[C@H]2C=Cc3ccccc3N21 ZINC000009087241 553208564 /nfs/dbraw/zinc/20/85/64/553208564.db2.gz GURBPAKAZJMRTE-BESNRVDSSA-N 0 1 520.585 5.004 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@H](C(=O)c2ccc(F)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000009089816 553209346 /nfs/dbraw/zinc/20/93/46/553209346.db2.gz ZHXMHXAMVWYVPG-UUZIFAJNSA-N 0 1 522.620 6.113 50 0 KKAAMN CC(=O)[C@@H]1C(=C(O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000009109956 553210129 /nfs/dbraw/zinc/21/01/29/553210129.db2.gz RXRRNGSZPYTQOJ-KALPRAJFSA-N 0 1 503.385 5.556 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccc(C)cc5)nc4c32)cc1 ZINC000009157985 553214945 /nfs/dbraw/zinc/21/49/45/553214945.db2.gz KNUPPFSPOZENJI-RUZDIDTESA-N 0 1 500.562 5.888 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccccc5O)nc4c32)cc1 ZINC000009158502 553215088 /nfs/dbraw/zinc/21/50/88/553215088.db2.gz TVNWOWGIZHHVDY-XMMPIXPASA-N 0 1 502.534 5.286 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccccc5C)nc4c32)cc1 ZINC000009216305 553221715 /nfs/dbraw/zinc/22/17/15/553221715.db2.gz LCNOVHHTHKKJEJ-VWLOTQADSA-N 0 1 500.562 5.888 50 0 KKAAMN CCOc1cccc([C@@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2CCc2ccc(OC)cc2)c1 ZINC000009243573 553226931 /nfs/dbraw/zinc/22/69/31/553226931.db2.gz CPPMYCGSZSFWCC-MUUNZHRXSA-N 0 1 518.013 5.939 50 0 KKAAMN Cc1nn(-c2ccccc2)c2c1C(c1ccc(Cl)cc1)c1c3nc(-c4ccccc4O)nn3cnc1O2 ZINC000009266346 553230028 /nfs/dbraw/zinc/23/00/28/553230028.db2.gz PQLZZSQNOQAOMC-HSZRJFAPSA-N 0 1 506.953 5.930 50 0 KKAAMN Cc1nn(-c2ccccc2)c2c1C(c1ccc(Cl)cc1)c1c3nc(-c4ccccc4O)nn3cnc1O2 ZINC000009266348 553230102 /nfs/dbraw/zinc/23/01/02/553230102.db2.gz PQLZZSQNOQAOMC-QHCPKHFHSA-N 0 1 506.953 5.930 50 0 KKAAMN COc1ccc([C@@H]2N(c3ccccc3)O[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@]32c2ccccc2)cc1 ZINC000009360780 553248609 /nfs/dbraw/zinc/24/86/09/553248609.db2.gz FNZXIFBKXLEKKS-DURBRWELSA-N 0 1 510.977 5.722 50 0 KKAAMN COc1ccc([C@@H]2N(c3ccccc3)OC3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@]32c2ccccc2)cc1 ZINC000009360780 553248610 /nfs/dbraw/zinc/24/86/10/553248610.db2.gz FNZXIFBKXLEKKS-DURBRWELSA-N 0 1 510.977 5.722 50 0 KKAAMN CCCCN(CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1)Cc1ccco1 ZINC000009433699 553263583 /nfs/dbraw/zinc/26/35/83/553263583.db2.gz WFEMJSZDVAMTCD-VSGBNLITSA-N 0 1 519.711 5.983 50 0 KKAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 ZINC000009445781 553265163 /nfs/dbraw/zinc/26/51/63/553265163.db2.gz YSXFRFCIRYEEJS-UHFFFAOYSA-N 0 1 503.649 6.050 50 0 KKAAMN Cc1nn2c(nc(C)c(CCC(=O)Nc3ccc4nc(-c5cccnc5)[nH]c4c3)c2C)c1-c1ccccc1 ZINC000009609913 553288136 /nfs/dbraw/zinc/28/81/36/553288136.db2.gz LJDXBFXWOOVDHU-UHFFFAOYSA-N 0 1 501.594 5.831 50 0 KKAAMN Cc1nn(-c2ccc(C)c(C)c2)c2nc(C)c(CCC(=O)Nc3ccc4nc(-c5cccnc5)[nH]c4c3)c(C)c12 ZINC000009610272 553288322 /nfs/dbraw/zinc/28/83/22/553288322.db2.gz BVRNSBCGQUGZRW-UHFFFAOYSA-N 0 1 529.648 6.472 50 0 KKAAMN CCCCOc1ccc([C@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000009778687 553307185 /nfs/dbraw/zinc/30/71/85/553307185.db2.gz BRVNEVTWOBUOSU-ZEQRLZLVSA-N 0 1 519.395 5.381 50 0 KKAAMN CCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)c1 ZINC000010059903 553327472 /nfs/dbraw/zinc/32/74/72/553327472.db2.gz GQUBXGOQJSGMKW-UHFFFAOYSA-N 0 1 525.605 5.031 50 0 KKAAMN Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3ccc(NC(=O)COc4ccccc4C)cc3[nH]2)cc1 ZINC000010060521 553327667 /nfs/dbraw/zinc/32/76/67/553327667.db2.gz NJXITMVRRNIEQC-UHFFFAOYSA-N 0 1 520.589 5.882 50 0 KKAAMN O=C(Nc1cc(-c2ccco2)nn1-c1nc(-c2ccccc2)cc(=O)[nH]1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000012009208 553349894 /nfs/dbraw/zinc/34/98/94/553349894.db2.gz SLYSFFYBTFYZQG-UHFFFAOYSA-N 0 1 559.426 6.173 50 0 KKAAMN C[C@@H](NC(=O)c1ccc(CN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)[nH]c1=O)c1cccs1 ZINC000012245708 553355023 /nfs/dbraw/zinc/35/50/23/553355023.db2.gz SSHSWQGHGNRBKE-JOCHJYFZSA-N 0 1 527.690 5.076 50 0 KKAAMN COc1ccc([C@H]2c3c(n[nH]c3-c3cccc(OC)c3)C(=O)N2CCc2c[nH]c3ccc(OC)cc23)cc1 ZINC000012323990 553358239 /nfs/dbraw/zinc/35/82/39/553358239.db2.gz HVXBPMDPPGWZFH-LJAQVGFWSA-N 0 1 508.578 5.372 50 0 KKAAMN CCOC(=O)C1C(CSc2nn(-c3ccccc3)c(=S)s2)=NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000012412531 553364123 /nfs/dbraw/zinc/36/41/23/553364123.db2.gz VWJXLQQVLAXBEM-HXUWFJFHSA-N 0 1 512.682 5.244 50 0 KKAAMN Cc1ccc(-c2n[nH]c(SCC(=O)N3N=C(c4ccc5ccccc5c4)C[C@H]3c3ccccc3)n2)cc1 ZINC000012529066 553385030 /nfs/dbraw/zinc/38/50/30/553385030.db2.gz HDOLJABKJUZVOG-MHZLTWQESA-N 0 1 503.631 6.403 50 0 KKAAMN COc1cc2nc(SCc3ccc(Cl)cc3Cl)n3c(CC4CCCCC4)c(O)nc3c2cc1OC ZINC000012951498 553428713 /nfs/dbraw/zinc/42/87/13/553428713.db2.gz NKGFMGQFEWVSMK-OAQYLSRUSA-N 0 1 532.493 6.873 50 0 KKAAMN COc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000013129978 553450981 /nfs/dbraw/zinc/45/09/81/553450981.db2.gz JRQACCMPOQULLH-UHFFFAOYSA-N 0 1 515.802 5.474 50 0 KKAAMN Cc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc4c(c3)NC(=O)CS4)ccc2Cl)c(C)c1 ZINC000013140172 553454171 /nfs/dbraw/zinc/45/41/71/553454171.db2.gz NYNTXZXHPCVZIY-UHFFFAOYSA-N 0 1 502.017 5.054 50 0 KKAAMN COc1ccc(C2=CSC3=NC4=C(CN(C)C/C4=C\c4ccc(F)cc4)[C@@H](c4ccc(F)cc4)N23)cc1 ZINC000013686431 553485371 /nfs/dbraw/zinc/48/53/71/553485371.db2.gz JOYXXXWCYAFKLT-LQSCNRDHSA-N 0 1 513.613 6.715 50 0 KKAAMN CCCCc1nc2sc3c(ncnc3N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2c2c1CCC2 ZINC000013778921 553490194 /nfs/dbraw/zinc/49/01/94/553490194.db2.gz AMXFKSRLVOKRNC-UHFFFAOYSA-N 0 1 533.745 6.982 50 0 KKAAMN COc1ccc(S[C@@H]2C[C@@H](C(=O)NCc3cn4ccccc4n3)N(Cc3cc(C)ccc3C)C2)cc1 ZINC000014989482 553523881 /nfs/dbraw/zinc/52/38/81/553523881.db2.gz KINHHFJXZPWLAK-SXOMAYOGSA-N 0 1 500.668 5.011 50 0 KKAAMN COc1c(Br)cc(Br)cc1[C@H]1Nc2sc3c(c2C(=O)N1)CCN(C(C)C)C3 ZINC000015946336 553544402 /nfs/dbraw/zinc/54/44/02/553544402.db2.gz NERGRJNUWKEOSJ-QGZVFWFLSA-N 0 1 515.271 5.477 50 0 KKAAMN CCN1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)c(OC)c(Br)c2)N3)C1 ZINC000015947277 553545063 /nfs/dbraw/zinc/54/50/63/553545063.db2.gz DLXBLMWWVMDSEW-INIZCTEOSA-N 0 1 501.244 5.089 50 0 KKAAMN COc1ccc(C(=O)Oc2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CCN(C(C)C)C5)cc2OC)cc1 ZINC000015947094 553545206 /nfs/dbraw/zinc/54/52/06/553545206.db2.gz AFDMQGTZOXGBRP-DEOSSOPVSA-N 0 1 507.612 5.180 50 0 KKAAMN CCOc1cc(CN[C@@H](C)c2ccccc2)c(Br)cc1OCC(=O)NCCc1ccccc1 ZINC000016382358 553561556 /nfs/dbraw/zinc/56/15/56/553561556.db2.gz HBBZQSSQDJLBIR-FQEVSTJZSA-N 0 1 511.460 5.436 50 0 KKAAMN Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)CCC(=O)Nc3ccc(Oc4ccccc4)cc3)cc12 ZINC000020136058 553593418 /nfs/dbraw/zinc/59/34/18/553593418.db2.gz SWOBARGZLJVAQC-UHFFFAOYSA-N 0 1 523.637 5.445 50 0 KKAAMN CCN1CCN(c2cc(C)c3cc(NC(=S)N4CCN(c5cc(Cl)ccc5C)CC4)ccc3n2)CC1 ZINC000020153625 553598266 /nfs/dbraw/zinc/59/82/66/553598266.db2.gz RAKFUIXZLQTFTQ-UHFFFAOYSA-N 0 1 523.150 5.166 50 0 KKAAMN COc1ccc(Br)cc1[C@@H]1c2c(O)n(-c3cccc(Cl)c3)c(O)c2ON1c1ccccc1 ZINC000017838072 553600300 /nfs/dbraw/zinc/60/03/00/553600300.db2.gz WYUHGIYAMHANNI-BDTNDASRSA-N 0 1 513.775 5.162 50 0 KKAAMN Cc1ccc2c(c1C)NC(=O)[C@]21N2CCC[C@H]2[C@@H](C(=O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000070706464 553628067 /nfs/dbraw/zinc/62/80/67/553628067.db2.gz DSFLXWSYLKLABO-BAAZAXTHSA-N 0 1 556.460 5.081 50 0 biogenic KKAAMN O=C(Nc1ccc(Cl)cc1C(=O)c1ccc(Cl)cc1)c1cc(Br)ccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000072136594 553644292 /nfs/dbraw/zinc/64/42/92/553644292.db2.gz VZBNEMUDYUJRTO-UHFFFAOYSA-N 0 1 638.754 7.693 50 0 KKAAMN C[C@@H]1CCC[C@@H](NC(=O)c2ccc(Cn3c(=O)c4cc(Br)ccc4[nH]c3=S)cc2)[C@@H]1C ZINC000020644169 553684014 /nfs/dbraw/zinc/68/40/14/553684014.db2.gz RDUFJXLMSGZAHJ-STXHMFSFSA-N 0 1 500.462 5.424 50 0 KKAAMN O=C([O-])[C@H](c1c[nH]c2cc(Br)ccc21)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020677833 553687737 /nfs/dbraw/zinc/68/77/37/553687737.db2.gz SJVRYQIZJKYBCC-SANMLTNESA-N 0 1 504.428 5.463 50 0 KKAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=S)N=P(N3CCCCCC3)(N3CCCCCC3)C(C)(C)C)ccc2Cl)cc1 ZINC000096022681 553722036 /nfs/dbraw/zinc/72/20/36/553722036.db2.gz FMTACFUIBIQIPL-UHFFFAOYSA-N 0 1 654.283 8.428 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1ccc(Cl)c(NC(=S)N=P(N2CCCCCC2)(N2CCCCCC2)C(C)(C)C)c1 ZINC000096022651 553722055 /nfs/dbraw/zinc/72/20/55/553722055.db2.gz VFQBNMJECMOJSD-UHFFFAOYSA-N 0 1 654.283 8.428 50 0 KKAAMN Cc1[nH]c2ccccc2c1[C@@H](c1ccc(F)cc1)N1CCN([C@@H](c2c(C)[nH]c3ccccc32)c2ccc(F)cc2)CC1 ZINC000022030393 553722859 /nfs/dbraw/zinc/72/28/59/553722859.db2.gz CCGBCMYLKHZNND-LQFQNGICSA-N 0 1 560.692 8.041 50 0 KKAAMN Nc1nc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)nc(Nc2ccc(Oc3ccccc3)cc2)n1 ZINC000022801754 553751147 /nfs/dbraw/zinc/75/11/47/553751147.db2.gz MMGOAYHBAXSHTH-UHFFFAOYSA-N 0 1 543.675 5.897 50 0 KKAAMN O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)N1OC[C@@H]2COc3ccc4ccccc4c3[C@@H]21 ZINC000022873006 553766173 /nfs/dbraw/zinc/76/61/73/553766173.db2.gz GYKYPNVEZQFHKU-VCTRWQRLSA-N 0 1 519.645 5.071 50 0 KKAAMN Cc1ccc2nc(-c3ccc(NC(=O)CN4CCN(C(c5ccccc5)c5ccccc5)CC4)cc3)sc2c1 ZINC000097945631 553773650 /nfs/dbraw/zinc/77/36/50/553773650.db2.gz SOJLADPMQBZCHA-UHFFFAOYSA-N 0 1 532.713 6.617 50 0 KKAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)COc2ccc(Cl)cc2Cl)c1 ZINC000097947811 553788896 /nfs/dbraw/zinc/78/88/96/553788896.db2.gz PAUIRWJXPVAGEA-UHFFFAOYSA-N 0 1 542.463 5.510 50 0 KKAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cc(Br)ccc2OC)c1 ZINC000097948104 553791229 /nfs/dbraw/zinc/79/12/29/553791229.db2.gz PKAWDKIYUQIIRB-UHFFFAOYSA-N 0 1 552.469 5.209 50 0 KKAAMN COc1cc(OC)c(CNC(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4Cl)n[nH]3)cc2)c(OC)c1 ZINC000025150452 553796485 /nfs/dbraw/zinc/79/64/85/553796485.db2.gz QZHGQSUMISWMPE-UHFFFAOYSA-N 0 1 512.393 6.006 50 0 KKAAMN COc1ccc(Cc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)C4c2ccc(OC)cc2)cc1 ZINC000097954275 553822592 /nfs/dbraw/zinc/82/25/92/553822592.db2.gz RUOJCXJHWHOFKG-MHZLTWQESA-N 0 1 530.588 5.512 50 0 KKAAMN Cc1nc2sc3c(ncnc3N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2c2c1COC(C)(C)C2 ZINC000097954252 553822672 /nfs/dbraw/zinc/82/26/72/553822672.db2.gz PZRUKCOPWCAXHQ-UHFFFAOYSA-N 0 1 535.717 6.311 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5cccs5)nc4c32)cc1OC ZINC000097954388 553822845 /nfs/dbraw/zinc/82/28/45/553822845.db2.gz CEMVCRAVAXMJLE-HSZRJFAPSA-N 0 1 522.590 5.650 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000097954487 553823514 /nfs/dbraw/zinc/82/35/14/553823514.db2.gz UUZJMAIIODEPQS-IARZGTGTSA-N 0 1 538.531 5.105 50 0 KKAAMN COc1ccc([C@H]2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5cccc6ccccc65)nc4c32)cc1 ZINC000097954772 553825368 /nfs/dbraw/zinc/82/53/68/553825368.db2.gz FQEMFYXOKFRFFU-NDEPHWFRSA-N 0 1 536.595 6.733 50 0 KKAAMN O=C(c1cccs1)[C@@H]1C(=C(O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000097954877 553825914 /nfs/dbraw/zinc/82/59/14/553825914.db2.gz JXIFGIKSJABQSW-ANOKCIKSSA-N 0 1 520.585 5.743 50 0 KKAAMN Fc1ccccc1C1=NN2[C@@H](C1)c1cc(Br)ccc1OC21CCN([C@H]2CCCc3ccccc32)CC1 ZINC000097955291 553830697 /nfs/dbraw/zinc/83/06/97/553830697.db2.gz ZMUUQGILHLYLIZ-NSOVKSMOSA-N 0 1 546.484 7.001 50 0 KKAAMN c1nn2c(nc(-c3ccccc3)cc2N2CCN(CCOc3cccc4ccccc43)CC2)c1-c1ccccc1 ZINC000027585988 553835530 /nfs/dbraw/zinc/83/55/30/553835530.db2.gz MXWZPUISAJYBEO-UHFFFAOYSA-N 0 1 525.656 6.418 50 0 KKAAMN COc1ccc(-n2[nH]c(Cc3ccc(F)cc3)c(C=C3NC(=O)N(Cc4ccc(C(F)(F)F)cc4)C3=O)c2=O)cc1 ZINC000097956050 553835670 /nfs/dbraw/zinc/83/56/70/553835670.db2.gz QBQUFQSVGYEXQY-MYYYXRDXSA-N 0 1 566.511 5.428 50 0 KKAAMN Cc1cccc(-n2[nH]c(Cc3ccccc3C)c(C=C3NC(=O)N(Cc4cccc(C(F)(F)F)c4)C3=O)c2=O)c1C ZINC000097956482 553839444 /nfs/dbraw/zinc/83/94/44/553839444.db2.gz HNUOSOSRMZEDSH-QQXSKIMKSA-N 0 1 560.576 6.206 50 0 KKAAMN COc1ccccc1C1c2c(C)nn(-c3cccc(Cl)c3)c2Oc2ncn3nc(-c4ccncc4)nc3c21 ZINC000097956624 553840081 /nfs/dbraw/zinc/84/00/81/553840081.db2.gz PJBHSHDVKKSEAH-QHCPKHFHSA-N 0 1 521.968 5.628 50 0 KKAAMN COc1ccccc1C1c2c(C)nn(-c3cccc(Cl)c3)c2Oc2ncn3nc(-c4ccccc4O)nc3c21 ZINC000097956622 553840132 /nfs/dbraw/zinc/84/01/32/553840132.db2.gz DGAGBLGVBFSQBY-DEOSSOPVSA-N 0 1 536.979 5.939 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4cccc(Cl)c4)c3Oc3ncn4nc(-c5cccnc5)nc4c32)cc1 ZINC000097956636 553840436 /nfs/dbraw/zinc/84/04/36/553840436.db2.gz SXTXRGPEYARYOY-HSZRJFAPSA-N 0 1 521.968 5.628 50 0 KKAAMN COc1ccccc1C1c2c(C)nn(-c3ccccc3)c2Oc2ncn3nc(-c4ccc(N(C)C)cc4)nc3c21 ZINC000097956647 553840450 /nfs/dbraw/zinc/84/04/50/553840450.db2.gz BDNLAEBTCDMEHZ-SANMLTNESA-N 0 1 529.604 5.646 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccc(Cl)cc4)c3Oc3ncn4nc(-c5cccnc5)nc4c32)cc1 ZINC000097956643 553840454 /nfs/dbraw/zinc/84/04/54/553840454.db2.gz XNMHMEXFRUJETH-HSZRJFAPSA-N 0 1 521.968 5.628 50 0 KKAAMN COc1ccccc1C1c2c(C)nn(-c3ccccc3)c2Oc2ncn3nc(-c4ccc(N(C)C)cc4)nc3c21 ZINC000097956646 553840471 /nfs/dbraw/zinc/84/04/71/553840471.db2.gz BDNLAEBTCDMEHZ-AREMUKBSSA-N 0 1 529.604 5.646 50 0 KKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4c(C)cc(C)cc4O)c3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000029749237 553851565 /nfs/dbraw/zinc/85/15/65/553851565.db2.gz FLNYBDXUVRTBRE-SSEXGKCCSA-N 0 1 573.646 5.230 50 0 KKAAMN O=C(NCCCN1CCN(CCCNC(=O)c2cc(-c3ccco3)nc3ccccc32)CC1)c1cc(-c2ccco2)nc2ccccc21 ZINC000097959770 553866127 /nfs/dbraw/zinc/86/61/27/553866127.db2.gz UYEUBXJWRATSBO-UHFFFAOYSA-N 0 1 642.760 5.861 50 0 KKAAMN CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)CC1 ZINC000097960822 553873623 /nfs/dbraw/zinc/87/36/23/553873623.db2.gz UZAFLUFWTXWRHE-RMKNXTFCSA-N 0 1 528.436 5.834 50 0 KKAAMN CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCN(C(C)C)C3)cc1 ZINC000097963426 553890081 /nfs/dbraw/zinc/89/00/81/553890081.db2.gz ZIOHZCXRVGJBPZ-UHFFFAOYSA-N 0 1 624.898 7.346 50 0 KKAAMN CC(C)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963435 553890094 /nfs/dbraw/zinc/89/00/94/553890094.db2.gz UBPVCQDCMZGWDY-NHCUHLMSSA-N 0 1 608.855 6.710 50 0 KKAAMN O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1cn(-c2ccc(Cl)cc2)c(=O)c2ccccc12 ZINC000033354354 553929550 /nfs/dbraw/zinc/92/95/50/553929550.db2.gz OMLGVYMVEMVCDB-UHFFFAOYSA-N 0 1 535.475 5.240 50 0 KKAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3sc4nc(-c5cccs5)cc(C(F)(F)F)c4c3N)cc2)n1 ZINC000033355399 553934450 /nfs/dbraw/zinc/93/44/50/553934450.db2.gz ZIKNYEXWMQDAGH-UHFFFAOYSA-N 0 1 604.661 6.086 50 0 KKAAMN CSc1cccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCCN3CCN(c4ccc(F)cc4)CC3)C2=S)c1 ZINC000033357106 553946506 /nfs/dbraw/zinc/94/65/06/553946506.db2.gz POKDKTBFZCSEBA-MUUNZHRXSA-N 0 1 609.768 5.230 50 0 KKAAMN CSc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCCN3CCN(c4ccc(F)cc4)CC3)C2=S)c1 ZINC000033357108 553946538 /nfs/dbraw/zinc/94/65/38/553946538.db2.gz POKDKTBFZCSEBA-NDEPHWFRSA-N 0 1 609.768 5.230 50 0 KKAAMN Cc1cc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2cccc(Br)c2)ccc1Br ZINC000033358505 553956370 /nfs/dbraw/zinc/95/63/70/553956370.db2.gz VCCPIHYKOUXRRC-RTWAWAEBSA-N 0 1 677.991 7.886 50 0 KKAAMN O=C1NC(=O)[C@@]2(Cc3cc(C(F)(F)F)ccc3N3CCN(c4ccccc4)C[C@@H]32)C(=O)N1c1ccccc1 ZINC000033429096 553959729 /nfs/dbraw/zinc/95/97/29/553959729.db2.gz XWSJDULEXRRADF-KCWPFWIISA-N 0 1 520.511 5.066 50 0 KKAAMN COc1ccc(CN2CCCN(c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cn3)CC2)c(OC)c1 ZINC000034681641 553984999 /nfs/dbraw/zinc/98/49/99/553984999.db2.gz QLDSIZHLPKDIOV-UHFFFAOYSA-N 0 1 502.659 5.361 50 0 KKAAMN COc1ccc(N(C(=O)c2ccc(F)cc2)C2CCN(Cc3cccc(OC)c3OC)CC2)cc1OC ZINC000034682839 553985441 /nfs/dbraw/zinc/98/54/41/553985441.db2.gz GHUZBSQVFFGREG-UHFFFAOYSA-N 0 1 508.590 5.172 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)/C=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)ccc1N1CCCC1 ZINC000097980129 553985616 /nfs/dbraw/zinc/98/56/16/553985616.db2.gz ZOPSUSHIGLXFBU-CPNJWEJPSA-N 0 1 677.801 5.833 50 0 KKAAMN COc1ccc(C(=O)N(c2cccc(OC)c2)C2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1 ZINC000034683170 553985617 /nfs/dbraw/zinc/98/56/17/553985617.db2.gz UFGRNHHNZWJMCW-UHFFFAOYSA-N 0 1 522.645 6.808 50 0 KKAAMN Cc1cccc(S(=O)(=O)N(c2ccc(F)cc2)C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000034683724 553985983 /nfs/dbraw/zinc/98/59/83/553985983.db2.gz ADOXTOGPAFCMSH-UHFFFAOYSA-N 0 1 506.565 6.013 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=S)Nc2ccc(C)c(Cl)c2)ccc1N1CCCC1 ZINC000097981294 553992958 /nfs/dbraw/zinc/99/29/58/553992958.db2.gz DWKKZKPFPBNYRJ-UHFFFAOYSA-N 0 1 531.103 5.867 50 0 KKAAMN Cc1ccc(N2CCCN(Cc3c(F)cccc3F)C2=O)c(NS(=O)(=O)c2cccc(Cl)c2)c1 ZINC000034737754 553998393 /nfs/dbraw/zinc/99/83/93/553998393.db2.gz STZATITYDHHFDH-UHFFFAOYSA-N 0 1 505.974 5.560 50 0 KKAAMN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccccc1C(=O)OCC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000097982286 554000869 /nfs/dbraw/zinc/00/08/69/554000869.db2.gz KHAMYUXTAFVNBD-ROSOWXQZSA-N 0 1 543.726 6.254 50 0 KKAAMN CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)cc1 ZINC000097982924 554006660 /nfs/dbraw/zinc/00/66/60/554006660.db2.gz OBVOBYKPNHCCRD-UHFFFAOYSA-N 0 1 592.139 5.357 50 0 KKAAMN O=[P@@](/C=C(/Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000097983611 554010346 /nfs/dbraw/zinc/01/03/46/554010346.db2.gz JNFKNWIBLYORJA-XWFQURHXSA-N 0 1 603.895 9.306 50 0 KKAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)N=P(N3CCCCCC3)(N3CCCCCC3)C(C)(C)C)cc2)n1 ZINC000097983709 554011059 /nfs/dbraw/zinc/01/10/59/554011059.db2.gz HRSRWWIQIKIFAB-UHFFFAOYSA-N 0 1 619.842 7.173 50 0 KKAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000034830383 554015782 /nfs/dbraw/zinc/01/57/82/554015782.db2.gz LUEMCUCYSZVCBV-IDISGSTGSA-N 0 1 522.114 5.421 50 0 KKAAMN CCCC[C@H](CC)C(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@@H]1C ZINC000034830539 554016029 /nfs/dbraw/zinc/01/60/29/554016029.db2.gz KVPAGDBGALSPGE-VPYPWEPUSA-N 0 1 513.723 5.501 50 0 KKAAMN CCc1ccc(C(=O)N(Cc2c(C)nn(-c3cccc(F)c3)c2N2CCN(CC)CC2)CC(C)C)cc1 ZINC000034831343 554016907 /nfs/dbraw/zinc/01/69/07/554016907.db2.gz DGNAYNVUBFMIJZ-UHFFFAOYSA-N 0 1 505.682 5.323 50 0 KKAAMN CCN1CCN(c2c(CN(C(=O)Nc3cccc(Cl)c3)C(C)C)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034831367 554017017 /nfs/dbraw/zinc/01/70/17/554017017.db2.gz BODCKQTXAOECMP-UHFFFAOYSA-N 0 1 513.061 5.558 50 0 KKAAMN CCN1CCN(c2c(CN(CCC(C)C)C(=O)c3ccccc3OC)c(C)nn2-c2ccccc2)CC1 ZINC000034832111 554017712 /nfs/dbraw/zinc/01/77/12/554017712.db2.gz RWUYLCWMEZJHFQ-UHFFFAOYSA-N 0 1 503.691 5.020 50 0 KKAAMN CCCCc1ccc(C(=O)N(CCCOC)Cc2c(C)nn(-c3cccc(F)c3)c2N2CCN(C)CC2)cc1 ZINC000034834579 554018764 /nfs/dbraw/zinc/01/87/64/554018764.db2.gz FBWFMCBCAJVZDG-UHFFFAOYSA-N 0 1 535.708 5.093 50 0 KKAAMN CCCCc1ccc(C(=O)N(CCC(C)C)Cc2c(C)nn(-c3ccccc3)c2N2CCN(C)CC2)cc1 ZINC000034834668 554018818 /nfs/dbraw/zinc/01/88/18/554018818.db2.gz YMPITQUQMPHUPT-UHFFFAOYSA-N 0 1 515.746 5.964 50 0 KKAAMN CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(C(C)C)CC1)C(=O)COCc1ccccc1 ZINC000034835467 554019962 /nfs/dbraw/zinc/01/99/62/554019962.db2.gz MDYQGXDSZBVMHO-UHFFFAOYSA-N 0 1 535.708 5.060 50 0 KKAAMN CCOc1ccc(NC(=O)N(Cc2c(C)nn(-c3cccc(F)c3)c2N2CCN(C(C)C)CC2)C(C)C)cc1 ZINC000034835897 554020264 /nfs/dbraw/zinc/02/02/64/554020264.db2.gz VIGQEKUFZTVFTB-UHFFFAOYSA-N 0 1 536.696 5.691 50 0 KKAAMN CCN1CCN(c2c(CN(C(=O)Nc3ccc(SC)cc3)C3CC3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034835866 554020289 /nfs/dbraw/zinc/02/02/89/554020289.db2.gz GWNNPGTZJIVSEC-UHFFFAOYSA-N 0 1 522.694 5.380 50 0 KKAAMN O=C(Nc1ccc(Oc2ccc3ccccc3c2Cl)c(Cl)c1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000097997813 554040802 /nfs/dbraw/zinc/04/08/02/554040802.db2.gz XQVMHVAMVCQOQW-UHFFFAOYSA-N 0 1 632.352 9.299 50 0 KKAAMN CCCCCc1ccc(C(=O)[C@@H]2[C@H](C(C)=O)N3c4ccccc4C(C)=C[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000035377314 554045572 /nfs/dbraw/zinc/04/55/72/554045572.db2.gz SHPCEDYVHKRZLQ-ZOBNFCAWSA-N 0 1 518.657 6.372 50 0 KKAAMN CCc1ccc(NC(=O)CSC2=NC3(CCN(CC)CC3)N=C2c2ccc(Br)cc2)cc1 ZINC000035397208 554047758 /nfs/dbraw/zinc/04/77/58/554047758.db2.gz NKKONPCRFQXWFV-UHFFFAOYSA-N 0 1 513.505 5.397 50 0 KKAAMN COc1ccc(Cl)cc1NC(=O)CSC1=NC2(CCN(C)CC2)N=C1c1ccc(C(C)(C)C)cc1 ZINC000035397156 554047793 /nfs/dbraw/zinc/04/77/93/554047793.db2.gz AMMQEUPYIYTJEU-UHFFFAOYSA-N 0 1 513.107 5.641 50 0 KKAAMN COc1ccc(Cc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)[C@@H]4c2ccc(OC)c(OC)c2)cc1 ZINC000098000008 554047864 /nfs/dbraw/zinc/04/78/64/554047864.db2.gz TXZIAOSXIRJVJM-NDEPHWFRSA-N 0 1 560.614 5.521 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccccc5Cl)nc4c32)cc1OC ZINC000098000210 554049280 /nfs/dbraw/zinc/04/92/80/554049280.db2.gz JQRBXGSHASMIKP-VWLOTQADSA-N 0 1 551.006 6.242 50 0 KKAAMN Cc1ccc(CN(CCc2ccccc2)C(=O)CN(CCN2CCCCC2)C(=O)c2ccccc2Cl)o1 ZINC000035809324 554078002 /nfs/dbraw/zinc/07/80/02/554078002.db2.gz XYIFFRILYUBOAS-UHFFFAOYSA-N 0 1 522.089 5.441 50 0 KKAAMN COc1ccc(CN(CC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccc(C(C)(C)C)cc2)CC(C)C)cc1 ZINC000035842737 554081631 /nfs/dbraw/zinc/08/16/31/554081631.db2.gz DGAZDRHPIAQPQR-UHFFFAOYSA-N 0 1 539.764 7.204 50 0 KKAAMN CCOC(=O)CCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)C(C)C ZINC000035843669 554082167 /nfs/dbraw/zinc/08/21/67/554082167.db2.gz HMUWPCVSPXTKEY-UHFFFAOYSA-N 0 1 532.512 6.100 50 0 KKAAMN CC(=O)[C@@H]1[C@H](C(=O)c2ccc(CC(C)C)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(F)ccc3N21 ZINC000035851512 554083532 /nfs/dbraw/zinc/08/35/32/554083532.db2.gz GLZOPFJFOAVXLU-OGQOOFKISA-N 0 1 508.593 5.586 50 0 KKAAMN O=C(NCc1ccc(F)cc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12 ZINC000035908044 554092397 /nfs/dbraw/zinc/09/23/97/554092397.db2.gz LRNXZRZFTIELAZ-AZGAKELHSA-N 0 1 515.526 5.163 50 0 KKAAMN Cc1nn(-c2ccccc2)c2nc(CC(C)C)nc(N3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)c12 ZINC000035924661 554097094 /nfs/dbraw/zinc/09/70/94/554097094.db2.gz XUJIBUSJYAMKIQ-UHFFFAOYSA-N 0 1 508.592 5.663 50 0 KKAAMN Nc1c2c(nn1-c1ccc(Cl)cc1)nc(N1CCN(Cc3ccccc3)CC1)nc2-c1ccc(F)cc1 ZINC000035930033 554101686 /nfs/dbraw/zinc/10/16/86/554101686.db2.gz RMIPOKIBEMMGAK-UHFFFAOYSA-N 0 1 514.008 5.179 50 0 KKAAMN CC(C)CN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)Cc1ccc(Cl)cc1 ZINC000098021435 554118675 /nfs/dbraw/zinc/11/86/75/554118675.db2.gz RUWFQDMOEJSXPX-UHFFFAOYSA-N 0 1 544.183 7.848 50 0 KKAAMN Cc1nc(SCc2cccc(C(=O)NCc3ccco3)c2)nc(N2CCN(Cc3ccccc3)CC2)c1C ZINC000036062988 554162257 /nfs/dbraw/zinc/16/22/57/554162257.db2.gz KVHLTHQBDFFOHY-UHFFFAOYSA-N 0 1 527.694 5.231 50 0 KKAAMN O=C1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@@H](c2cccs2)N1c1ccc(Cl)c(Cl)c1 ZINC000098050083 554171825 /nfs/dbraw/zinc/17/18/25/554171825.db2.gz POKCVYFJWQBXHE-MSOLQXFVSA-N 0 1 581.091 7.421 50 0 KKAAMN COc1ccc(OC)c([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(F)cc2)c1 ZINC000098050098 554172006 /nfs/dbraw/zinc/17/20/06/554172006.db2.gz XAIXPIXCUWGUMM-FCHUYYIVSA-N 0 1 584.214 6.209 50 0 KKAAMN CCOc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(F)cc2)cc1 ZINC000098050139 554172344 /nfs/dbraw/zinc/17/23/44/554172344.db2.gz VAADGJPKVYCKQZ-FCHUYYIVSA-N 0 1 568.215 6.591 50 0 KKAAMN Cc1ccc(CN(Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)C[C@H]2CCCO2)cc1 ZINC000036157213 554198771 /nfs/dbraw/zinc/19/87/71/554198771.db2.gz WYBKSJYIVOWGCZ-MUUNZHRXSA-N 0 1 503.589 6.332 50 0 KKAAMN Cc1ccc(CN(Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)C[C@@H]2CCCO2)cc1 ZINC000036157208 554198792 /nfs/dbraw/zinc/19/87/92/554198792.db2.gz WYBKSJYIVOWGCZ-NDEPHWFRSA-N 0 1 503.589 6.332 50 0 KKAAMN CCCN(Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1ccccc1OC)C[C@H](O)COC(C)C ZINC000036301857 554211894 /nfs/dbraw/zinc/21/18/94/554211894.db2.gz HZYYBIFUKWIUEI-QHCPKHFHSA-N 0 1 502.055 5.633 50 0 KKAAMN CCCN(Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1ccccc1OC)C[C@@H](O)COC(C)C ZINC000036301860 554212062 /nfs/dbraw/zinc/21/20/62/554212062.db2.gz HZYYBIFUKWIUEI-HSZRJFAPSA-N 0 1 502.055 5.633 50 0 KKAAMN CC(C)COC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000036307243 554215804 /nfs/dbraw/zinc/21/58/04/554215804.db2.gz WPDHQPMIUOUXAW-AHWVRZQESA-N 0 1 511.638 5.033 50 0 KKAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@@H](O)COc1ccccc1 ZINC000036306299 554215865 /nfs/dbraw/zinc/21/58/65/554215865.db2.gz SAZBBJRWRJAMCG-RUZDIDTESA-N 0 1 501.627 5.076 50 0 KKAAMN Cc1ccc(Oc2c(CN(C[C@H](O)COCC(C)C)C[C@@H]3CCCO3)c(-c3ccccc3)nn2C)cc1 ZINC000036316070 554219507 /nfs/dbraw/zinc/21/95/07/554219507.db2.gz LAUGOIOKYRAZNE-BDYUSTAISA-N 0 1 507.675 5.202 50 0 KKAAMN COc1cccc(C2=NN(C(=O)CN3CCC(Cc4ccccc4)CC3)[C@H](c3ccccc3Cl)C2)c1 ZINC000036341058 554220635 /nfs/dbraw/zinc/22/06/35/554220635.db2.gz QXVOUYIDCYOXQE-LJAQVGFWSA-N 0 1 502.058 5.981 50 0 KKAAMN COc1ccccc1[C@H]1CC(c2ccccc2Cl)=NN1C(=O)CN1CCC(Cc2ccccc2)CC1 ZINC000036341400 554220970 /nfs/dbraw/zinc/22/09/70/554220970.db2.gz WYUPVESFBIBVBP-MUUNZHRXSA-N 0 1 502.058 5.981 50 0 KKAAMN Cc1ccc(C2=NN(C(=O)CN3CCC(Cc4ccccc4)CC3)[C@H](c3ccccc3Cl)C2)c(C)c1 ZINC000036343847 554222399 /nfs/dbraw/zinc/22/23/99/554222399.db2.gz RXVJCOGSYHFOTE-PMERELPUSA-N 0 1 500.086 6.589 50 0 KKAAMN COc1ccc(C2=NN(C(=O)CN3CCC(Cc4ccccc4)CC3)[C@H](c3ccccc3C)C2)c(OC)c1 ZINC000036344937 554223441 /nfs/dbraw/zinc/22/34/41/554223441.db2.gz GACXGWADESKLJV-PMERELPUSA-N 0 1 511.666 5.645 50 0 KKAAMN CSCC[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccccc3)C2=O)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]21 ZINC000100150944 554231479 /nfs/dbraw/zinc/23/14/79/554231479.db2.gz XISMLAMAWBDSCB-FPZUYOOISA-N 0 1 547.680 5.113 50 0 KKAAMN COc1cc(CN2CCC(N(C(=O)c3ccc(F)cc3)c3ccc(OC)c(OC)c3)CC2)cc(OC)c1 ZINC000037280018 554233322 /nfs/dbraw/zinc/23/33/22/554233322.db2.gz DVNTWGSIKCXTGY-UHFFFAOYSA-N 0 1 508.590 5.172 50 0 KKAAMN O=C(Nc1ccc(-c2nc3ccc(-c4nc5cc(NC(=O)c6cccs6)ccc5[nH]4)cc3[nH]2)cc1)c1cccs1 ZINC000050861490 554328181 /nfs/dbraw/zinc/32/81/81/554328181.db2.gz WSTRVYJWMIZWOU-UHFFFAOYSA-N 0 1 560.664 7.401 50 0 KKAAMN O=C(Nc1ccc(-c2nc3cc(-c4nc5ccc(NC(=O)c6cccs6)cc5[nH]4)ccc3[nH]2)cc1)c1cccs1 ZINC000050861490 554328184 /nfs/dbraw/zinc/32/81/84/554328184.db2.gz WSTRVYJWMIZWOU-UHFFFAOYSA-N 0 1 560.664 7.401 50 0 KKAAMN O=c1c2c3c(sc2nc(SCc2cccc4ccccc42)n1-c1ccccc1)CN(CCc1ccccc1)CC3 ZINC000053305774 554332850 /nfs/dbraw/zinc/33/28/50/554332850.db2.gz JNLUCVVVYCGYPI-UHFFFAOYSA-N 0 1 559.760 7.494 50 0 KKAAMN COc1ccc(Oc2ccc3c(c2)c2c(n3CCN(Cc3ccccc3)Cc3ccccc3)C(=O)CCC2)cc1 ZINC000055212206 554350657 /nfs/dbraw/zinc/35/06/57/554350657.db2.gz IFHHHTNPVNHZEH-UHFFFAOYSA-N 0 1 530.668 7.664 50 0 KKAAMN CCCCOc1cccc(C(=O)Nc2cc(C(=O)OCC)ccc2N2CCN(Cc3ccccc3)CC2)c1 ZINC000057238696 554353406 /nfs/dbraw/zinc/35/34/06/554353406.db2.gz HQEKQFIHZIZWSE-UHFFFAOYSA-N 0 1 515.654 5.617 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C)cc3)C2)[C@@H]1c1cccc(Br)c1 ZINC000100425391 554386443 /nfs/dbraw/zinc/38/64/43/554386443.db2.gz QRIRZBZTWVIZLL-QNLPTKCRSA-N 0 1 557.532 8.888 50 0 KKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)Nc2ccc(Cl)c(Cl)c2)[C@@H]3c2cccc(F)c2)cc1 ZINC000100425500 554386621 /nfs/dbraw/zinc/38/66/21/554386621.db2.gz DAAIJSAZSFLUSN-GFJKYASSSA-N 0 1 602.493 9.397 50 0 KKAAMN COc1ccc([C@@H]2C3=C(C[C@@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000100425463 554386626 /nfs/dbraw/zinc/38/66/26/554386626.db2.gz QVQULIOXIUHIFF-APYJYERMSA-N 0 1 603.933 9.519 50 0 KKAAMN COc1ccc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)cc1OC ZINC000100425650 554387040 /nfs/dbraw/zinc/38/70/40/554387040.db2.gz FVJKDAFAUQNRTJ-PPHZAIPVSA-N 0 1 522.523 6.816 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000100425631 554387046 /nfs/dbraw/zinc/38/70/46/554387046.db2.gz MNOOUPONVNFTJJ-IANOAQMISA-N 0 1 524.661 7.834 50 0 KKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C)cc3)C2)[C@H]1c1cccc(Br)c1 ZINC000100426060 554387305 /nfs/dbraw/zinc/38/73/05/554387305.db2.gz FWTDSECUVYLWPJ-KCWXNJEJSA-N 0 1 515.451 7.718 50 0 KKAAMN COc1cc([C@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(C)=O)cc(OC)c1OC ZINC000100425896 554387384 /nfs/dbraw/zinc/38/73/84/554387384.db2.gz JCJVTMQOEIDULR-JRPXNJEYSA-N 0 1 512.606 6.591 50 0 KKAAMN COc1ccc([C@H]2C3=C(C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1OC ZINC000100426106 554387643 /nfs/dbraw/zinc/38/76/43/554387643.db2.gz OCESVFKIFMZAST-YHZWMNSLSA-N 0 1 586.732 8.865 50 0 KKAAMN COc1ccc([C@@H]2C3=C(C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1OC ZINC000100426115 554387668 /nfs/dbraw/zinc/38/76/68/554387668.db2.gz OCESVFKIFMZAST-CXNHSUMOSA-N 0 1 586.732 8.865 50 0 KKAAMN COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000100426376 554388086 /nfs/dbraw/zinc/38/80/86/554388086.db2.gz LOKCZLDSOMTHHW-QTYPKTMWSA-N 0 1 614.695 6.698 50 0 KKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000100426431 554388101 /nfs/dbraw/zinc/38/81/01/554388101.db2.gz VXFRQHDYBRQTLH-PKHCJMHPSA-N 0 1 558.631 6.300 50 0 biogenic KKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@@H]3c2cccc(Cl)c2)cc1OC ZINC000100426544 554388441 /nfs/dbraw/zinc/38/84/41/554388441.db2.gz XGJKQYUGMNVCPM-AFJIDDCJSA-N 0 1 502.998 6.927 50 0 KKAAMN CC[C@H](C)Oc1ccccc1[C@H]1C2=C(C[C@@H](c3ccc(OC)c(OC)c3)CC2=O)Nc2ccccc2N1C(C)=O ZINC000100426570 554388713 /nfs/dbraw/zinc/38/87/13/554388713.db2.gz NDFQGAPAMMDGMJ-XEEJJMCUSA-N 0 1 540.660 7.451 50 0 biogenic KKAAMN COc1ccc([C@@H]2C3=C(C[C@@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000100426659 554388753 /nfs/dbraw/zinc/38/87/53/554388753.db2.gz PLNAJBFJSDKEEW-GPNASLBKSA-N 0 1 535.043 8.213 50 0 KKAAMN CCCCCC(=O)N1c2cc(C)ccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000100427129 554389390 /nfs/dbraw/zinc/38/93/90/554389390.db2.gz HTAHLXXJRMCQKD-RBBQXQBVSA-N 0 1 526.652 8.273 50 0 KKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N(C(=O)c2ccccc2)[C@@H]3c2ccc(F)cc2)cc1 ZINC000100427162 554389412 /nfs/dbraw/zinc/38/94/12/554389412.db2.gz BGJHSRMPWFGFNK-INJOXJOKSA-N 0 1 532.615 8.007 50 0 KKAAMN CCCCCC(=O)N1c2cc(C)ccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(F)cc1 ZINC000100427138 554389520 /nfs/dbraw/zinc/38/95/20/554389520.db2.gz HTAHLXXJRMCQKD-CAQRMWTPSA-N 0 1 526.652 8.273 50 0 KKAAMN COc1ccc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1OC ZINC000100429648 554390891 /nfs/dbraw/zinc/39/08/91/554390891.db2.gz BYARULXIBFHDEY-WKRVVKTRSA-N 0 1 520.585 7.161 50 0 KKAAMN COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000059651280 554418257 /nfs/dbraw/zinc/41/82/57/554418257.db2.gz NDZLEMNGPAQHHC-UHFFFAOYSA-N 0 1 541.673 5.615 50 0 KKAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000100582643 554425477 /nfs/dbraw/zinc/42/54/77/554425477.db2.gz AQSFKUQUMJYYFZ-RTWAWAEBSA-N 0 1 572.634 7.154 50 0 KKAAMN COc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(F)cc2)cc1OC ZINC000100586063 554426705 /nfs/dbraw/zinc/42/67/05/554426705.db2.gz OTRAZMACFDGYAP-FCHUYYIVSA-N 0 1 584.214 6.209 50 0 KKAAMN COc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1OC ZINC000100586077 554426757 /nfs/dbraw/zinc/42/67/57/554426757.db2.gz HPIRVQKBFWQCIQ-XZOQPEGZSA-N 0 1 614.696 7.032 50 0 KKAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000100708609 554453322 /nfs/dbraw/zinc/45/33/22/554453322.db2.gz KMAGQDFHWRWQFB-UHFFFAOYSA-N 0 1 528.453 5.934 50 0 KKAAMN COc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(S(=O)(=O)Nc3nccc(C)n3)cc1)C(C)(C)N2 ZINC000100726851 554457464 /nfs/dbraw/zinc/45/74/64/554457464.db2.gz WVWRHBWFBFHMIX-QYQHSDTDSA-N 0 1 525.681 5.277 50 0 KKAAMN CCOC(C[N@@H+](C)[C@@H](Cc1ccc(OC)c(OCc2ccccc2)c1)c1ccc(OC)c(OCc2ccccc2)c1)OCC ZINC000100818481 554478644 /nfs/dbraw/zinc/47/86/44/554478644.db2.gz OAMNGNQWYXUGQN-YTTGMZPUSA-N 0 1 599.768 7.477 50 0 KKAAMN O=C(Nc1ccc(Cl)cc1)[C@H]1C(C(=O)c2ccco2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000100849188 554492139 /nfs/dbraw/zinc/49/21/39/554492139.db2.gz CZMMBSYTMMDSBZ-VFJZKXQJSA-N 0 1 535.987 5.545 50 0 KKAAMN O=C(Nc1ccc(Cl)cc1)[C@H]1[C@@H](C(=O)c2ccco2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000100849188 554492140 /nfs/dbraw/zinc/49/21/40/554492140.db2.gz CZMMBSYTMMDSBZ-VFJZKXQJSA-N 0 1 535.987 5.545 50 0 KKAAMN O=C(Nc1ccccc1)[C@H]1[C@@H](C(=O)c2ccc(Cl)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000100870014 554497553 /nfs/dbraw/zinc/49/75/53/554497553.db2.gz JAKBBRWOUVTXDQ-UHLQNUQBSA-N 0 1 546.026 5.952 50 0 KKAAMN CC(=O)[C@H]1C(=C(O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000100879974 554506669 /nfs/dbraw/zinc/50/66/69/554506669.db2.gz VLYVFFQCIYDANP-HQQJGFCBSA-N 0 1 547.836 5.665 50 0 KKAAMN COc1ccc([C@H]2C=C(Nc3ccc(Br)cc3)C(=O)N2c2ccc(Br)cc2)cc1OC ZINC000100887284 554509073 /nfs/dbraw/zinc/50/90/73/554509073.db2.gz UVDTWYJQZXCMPE-OAQYLSRUSA-N 0 1 544.243 6.313 50 0 KKAAMN CSc1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000064557926 554511702 /nfs/dbraw/zinc/51/17/02/554511702.db2.gz DUIGBZNSPCEJFQ-FQEVSTJZSA-N 0 1 516.438 5.502 50 0 KKAAMN COC(=O)c1ccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(C(C)C)cc2)cc1 ZINC000064558250 554511998 /nfs/dbraw/zinc/51/19/98/554511998.db2.gz RVYBYNKZYBISQF-DEOSSOPVSA-N 0 1 505.592 5.236 50 0 KKAAMN COc1ccc(/C=C2\CN(C)CC3=C2N=C2SC=C(c4ccc(OC)cc4)N2[C@@H]3c2ccc(OC)cc2)cc1 ZINC000100961405 554542507 /nfs/dbraw/zinc/54/25/07/554542507.db2.gz GZGMAAUUJSUVNV-PVSBUFJZSA-N 0 1 537.685 6.454 50 0 KKAAMN COc1ccc(/C=C2\CN(C)CC3=C2N=C2SC=C(c4ccc(Cl)cc4)N2[C@@H]3c2ccc(OC)cc2)cc1 ZINC000100984869 554548331 /nfs/dbraw/zinc/54/83/31/554548331.db2.gz ZOCDJIMMLAXSPZ-AYHHAJBCSA-N 0 1 542.104 7.098 50 0 KKAAMN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21C(=C(O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2CCCN21 ZINC000101064392 554571423 /nfs/dbraw/zinc/57/14/23/554571423.db2.gz ZUEMIEDFYRIAHR-WVVZPGRZSA-N 0 1 576.878 5.426 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@H](C(=O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000101064362 554571453 /nfs/dbraw/zinc/57/14/53/554571453.db2.gz SILKXLCKTCBRLP-UUZIFAJNSA-N 0 1 583.526 6.736 50 0 KKAAMN Cc1cc2c(c(C)c1)NC(=O)[C@]21N2CCC[C@@H]2[C@@H](C(=O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000101064446 554571732 /nfs/dbraw/zinc/57/17/32/554571732.db2.gz JLEJNNHBBFNPSP-XSHKJCDBSA-N 0 1 556.460 5.081 50 0 KKAAMN CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(=C(O)c1ccccc1)[C@]21C(=O)Nc2ccccc21 ZINC000101091666 554582900 /nfs/dbraw/zinc/58/29/00/554582900.db2.gz VEHPXVNIMUZWOI-WFPUBZAHSA-N 0 1 510.593 5.933 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000101099559 554586413 /nfs/dbraw/zinc/58/64/13/554586413.db2.gz VEBFZECWXXXTMH-PFBJBMPXSA-N 0 1 521.013 5.969 50 0 KKAAMN COc1cc([C@H]2C3=C(C[C@@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(C)=O)cc(OC)c1OC ZINC000101100450 554587486 /nfs/dbraw/zinc/58/74/86/554587486.db2.gz VHMNAMFQQZFDIU-KCEHZKJRSA-N 0 1 554.687 7.580 50 0 KKAAMN COc1cc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C(C)C)cc(OC)c1OC ZINC000101101750 554638767 /nfs/dbraw/zinc/63/87/67/554638767.db2.gz JUSAXSLDWAPAGZ-JRPXNJEYSA-N 0 1 526.633 6.919 50 0 KKAAMN COc1cc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C(C)C)cc(OC)c1OC ZINC000101101758 554638834 /nfs/dbraw/zinc/63/88/34/554638834.db2.gz JUSAXSLDWAPAGZ-IIMAJNMQSA-N 0 1 526.633 6.919 50 0 KKAAMN CCCCCc1ccc(C(=O)[C@@H]2[C@@H](C(C)=O)N3c4ccccc4C(C)=C[C@@H]3[C@]23c2ccccc2NC3=O)cc1 ZINC000101129252 554647904 /nfs/dbraw/zinc/64/79/04/554647904.db2.gz SHPCEDYVHKRZLQ-ZYQCKUACSA-N 0 1 518.657 6.372 50 0 KKAAMN O=C(Oc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000101152519 554657835 /nfs/dbraw/zinc/65/78/35/554657835.db2.gz LMJKUQKVRQKBDU-PFBJBMPXSA-N 0 1 542.950 5.749 50 0 KKAAMN CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(=C(O)c1ccccc1Cl)[C@]21C(=O)Nc2ccccc21 ZINC000101185211 554668951 /nfs/dbraw/zinc/66/89/51/554668951.db2.gz WRHSBJXEQMDBBO-JVPIYLDOSA-N 0 1 525.048 6.319 50 0 KKAAMN O=C(c1ccccc1Cl)[C@@H]1C(=C(O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000101195933 554672338 /nfs/dbraw/zinc/67/23/38/554672338.db2.gz LEOQLMIJLWMJNP-UUQNIDNHSA-N 0 1 531.011 6.196 50 0 KKAAMN COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCCN3CCN(Cc4ccccc4)CC3)C2=S)cc1Cl ZINC000101216233 554683185 /nfs/dbraw/zinc/68/31/85/554683185.db2.gz UYCKBFFCORJRQZ-NDEPHWFRSA-N 0 1 624.182 5.027 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000101254804 554695564 /nfs/dbraw/zinc/69/55/64/554695564.db2.gz KYXQGERIYQJGQQ-JGCGQSQUSA-N 0 1 613.828 5.323 50 0 KKAAMN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000101255107 554696194 /nfs/dbraw/zinc/69/61/94/554696194.db2.gz RFKSCLFLIDLEDD-PMERELPUSA-N 0 1 620.219 5.278 50 0 KKAAMN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000101255091 554696274 /nfs/dbraw/zinc/69/62/74/554696274.db2.gz NWEQTDHXYUAZCH-YTTGMZPUSA-N 0 1 629.827 5.023 50 0 KKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3cc(C)ccc3N21 ZINC000101342476 554735921 /nfs/dbraw/zinc/73/59/21/554735921.db2.gz BHAUNPDRZCCCNU-NSBPXKJOSA-N 0 1 531.439 6.254 50 0 KKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(F)ccc3N21 ZINC000101358780 554741359 /nfs/dbraw/zinc/74/13/59/554741359.db2.gz AGKBOHNBAXQCCL-PAHOUZJPSA-N 0 1 531.381 5.150 50 0 KKAAMN O=C(c1ccccc1Cl)[C@@H]1C(=C(O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000101360675 554742264 /nfs/dbraw/zinc/74/22/64/554742264.db2.gz LEOQLMIJLWMJNP-YGGCMVMVSA-N 0 1 531.011 6.196 50 0 KKAAMN Cc1ccccc1/C=C1\Sc2ccc(C(=O)NCCCN3CCN(c4ccc(F)cc4)CC3)cc2N(C)C1=O ZINC000101373875 554745495 /nfs/dbraw/zinc/74/54/95/554745495.db2.gz REUPKBWPTUKOGH-ANYBSYGZSA-N 0 1 544.696 5.186 50 0 KKAAMN COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000101376993 554746650 /nfs/dbraw/zinc/74/66/50/554746650.db2.gz YLGZXTPHOVMDLA-HRFSGMKKSA-N 0 1 550.533 6.594 50 0 KKAAMN COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000101376996 554746682 /nfs/dbraw/zinc/74/66/82/554746682.db2.gz YLGZXTPHOVMDLA-NFQMXDRXSA-N 0 1 550.533 6.594 50 0 KKAAMN CC(=O)N1c2cc(S(=O)(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(Br)cc2C[C@@H]1C ZINC000101420270 554766954 /nfs/dbraw/zinc/76/69/54/554766954.db2.gz BNHWMXKEBMUXJP-VIFPVBQESA-N 0 1 545.299 5.585 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1ccc(C(=O)OC)cc1 ZINC000101423551 554767748 /nfs/dbraw/zinc/76/77/48/554767748.db2.gz YBGJIIWCXFDZSV-JCVFDAPQSA-N 0 1 578.753 8.901 50 0 KKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101424166 554768050 /nfs/dbraw/zinc/76/80/50/554768050.db2.gz UVFGIVLTUNCJCO-KWMCUTETSA-N 0 1 582.575 6.833 50 0 KKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CC(C)C)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101448103 554774918 /nfs/dbraw/zinc/77/49/18/554774918.db2.gz UFSAXVLOZVOILQ-KATKFWMUSA-N 0 1 570.686 7.317 50 0 KKAAMN COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)CC(C)C)cc1 ZINC000101466059 554780813 /nfs/dbraw/zinc/78/08/13/554780813.db2.gz KZHFZCDRQHIYCF-QNLPTKCRSA-N 0 1 538.644 7.078 50 0 KKAAMN O=C(Nc1ccc(Cl)c(Cl)c1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccc(F)c1 ZINC000101500066 554787827 /nfs/dbraw/zinc/78/78/27/554787827.db2.gz FJUHWHHYVCUXFY-BGOLNKOXSA-N 0 1 572.467 9.388 50 0 KKAAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](c1ccc(Cl)cc1)[C@@H](NS(=O)(=O)c1ccccc1C)C(=O)c1ccccc1 ZINC000101625381 554811017 /nfs/dbraw/zinc/81/10/17/554811017.db2.gz TXEXWYWPFBPOCF-LOYHVIPDSA-N 0 1 586.113 6.210 50 0 KKAAMN CC(C)c1ccc(Nc2cc(C(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)c3ccccc3n2)cc1 ZINC000101634566 554812597 /nfs/dbraw/zinc/81/25/97/554812597.db2.gz SECZZPZGPMYHSW-UHFFFAOYSA-N 0 1 542.127 6.697 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000101669648 554823091 /nfs/dbraw/zinc/82/30/91/554823091.db2.gz SHTPDBKUWALGMG-PFBJBMPXSA-N 0 1 565.464 6.078 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@@H](C(=O)c3ccccc3)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000101672034 554825578 /nfs/dbraw/zinc/82/55/78/554825578.db2.gz QYVYGXIWUJOHGA-QVJCSHTLSA-N 0 1 566.701 7.194 50 0 KKAAMN CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)[C@H]1c1cccs1 ZINC000101843184 554842988 /nfs/dbraw/zinc/84/29/88/554842988.db2.gz WQHUCHLZOUDQRA-URLMMPGGSA-N 0 1 548.728 5.152 50 0 KKAAMN CCN1CCN(c2c(CN(CCC(C)C)S(=O)(=O)c3cccc(C(F)(F)F)c3)c(C)nn2-c2ccccc2)CC1 ZINC000101866694 554845077 /nfs/dbraw/zinc/84/50/77/554845077.db2.gz DFFQESXOOPQGAQ-UHFFFAOYSA-N 0 1 577.717 5.578 50 0 KKAAMN COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000101972633 554860682 /nfs/dbraw/zinc/86/06/82/554860682.db2.gz SOUVLAYRZCYUOU-RPBOFIJWSA-N 0 1 533.053 5.835 50 0 KKAAMN COc1cc(C(=O)Oc2cccc([C@@H]3Nc4sc5c(c4C(=O)N3)CCN(C(C)C)C5)c2)cc(OC)c1OC ZINC000101976004 554862833 /nfs/dbraw/zinc/86/28/33/554862833.db2.gz RUWXTUSZLBGBIT-VWLOTQADSA-N 0 1 537.638 5.189 50 0 KKAAMN O=C(NCCCN1CCN(c2ccccc2)CC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000101979732 554863574 /nfs/dbraw/zinc/86/35/74/554863574.db2.gz DMQULUAMPQQQQA-IHLOFXLRSA-N 0 1 542.749 5.300 50 0 KKAAMN COc1ccccc1N1CCN(CCCNC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)[C@@H]2c2cccs2)CC1 ZINC000101979748 554863649 /nfs/dbraw/zinc/86/36/49/554863649.db2.gz ZNOOPHULBMEETJ-IOWSJCHKSA-N 0 1 572.775 5.309 50 0 KKAAMN O=C(NCCCN1CCN(c2ccccc2)CC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000101979726 554863695 /nfs/dbraw/zinc/86/36/95/554863695.db2.gz DMQULUAMPQQQQA-XZWHSSHBSA-N 0 1 542.749 5.300 50 0 KKAAMN CC(C)CC(=O)N1CCc2ccc(OCc3ccc(C(=O)NCCN4CCCC4)o3)cc2[C@H]1c1ccc(F)cc1 ZINC000102003133 554866403 /nfs/dbraw/zinc/86/64/03/554866403.db2.gz GMLZRSGKUISWLP-WJOKGBTCSA-N 0 1 547.671 5.344 50 0 KKAAMN CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2Cl)[C@@H]3c2ccc(F)cc2)cc1 ZINC000102003859 554866731 /nfs/dbraw/zinc/86/67/31/554866731.db2.gz DCYHFXPFOLJRAD-PBUKZNKTSA-N 0 1 579.115 9.641 50 0 KKAAMN CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2Cl)[C@@H]3c2ccc(F)cc2)cc1 ZINC000102003856 554866735 /nfs/dbraw/zinc/86/67/35/554866735.db2.gz DCYHFXPFOLJRAD-YUYWZBKDSA-N 0 1 579.115 9.641 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@H](C(=O)c2ccc(CC(C)C)cc2)[C@@]12c1ccccc1NC2=O ZINC000102191363 554894699 /nfs/dbraw/zinc/89/46/99/554894699.db2.gz PPYQOMCAUXIBBA-AWYYSMRRSA-N 0 1 560.738 7.172 50 0 KKAAMN O[C@@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000102231259 554900301 /nfs/dbraw/zinc/90/03/01/554900301.db2.gz HOJOIDZRPNIDCC-WJOKGBTCSA-N 0 1 561.553 6.868 50 0 KKAAMN O=C(COc1ccc(-c2ncccn2)cc1CN1CCc2ccccc2C1)NCc1ccccc1C(F)(F)F ZINC000102307446 554909472 /nfs/dbraw/zinc/90/94/72/554909472.db2.gz CJAPOWKIAVPTLR-UHFFFAOYSA-N 0 1 532.566 5.416 50 0 KKAAMN CN1CC2=C(N=C3SC=C(c4ccc5c(c4)OCCO5)N3[C@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 ZINC000102462083 554935265 /nfs/dbraw/zinc/93/52/65/554935265.db2.gz OBRQVTMDICJKFZ-CGVHCUEWSA-N 0 1 574.533 7.506 50 0 KKAAMN CC[C@@H]1C(=O)C([C@@H](c2ccc(OC)c(C[NH+]3CCCCC3)c2)C2=C([O-])[C@H](CC)C(=S)NC2=O)C(=O)NC1=S ZINC000102505106 554944341 /nfs/dbraw/zinc/94/43/41/554944341.db2.gz ULPAHMXLWFESAI-OPVJXMOQSA-N 0 1 557.738 5.178 50 0 KKAAMN COc1ccc(OC)c(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccccc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000102548901 554960589 /nfs/dbraw/zinc/96/05/89/554960589.db2.gz GHMKCJIKFYKHBK-IANDGLOUSA-N 0 1 576.674 6.012 50 0 KKAAMN COc1ccc(OC)c(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccccc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000102548896 554960603 /nfs/dbraw/zinc/96/06/03/554960603.db2.gz GHMKCJIKFYKHBK-CDACFMRSSA-N 0 1 576.674 6.012 50 0 KKAAMN CCOc1cc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)cc(Br)c1O ZINC000102561226 554968352 /nfs/dbraw/zinc/96/83/52/554968352.db2.gz RJVSPADDYRLXHJ-XJUOHMSHSA-N 0 1 588.252 5.367 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000102643005 554991027 /nfs/dbraw/zinc/99/10/27/554991027.db2.gz XOXKTOKSGGWUED-XIFFEERXSA-N 0 1 522.689 8.638 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1Cl ZINC000102645296 554991885 /nfs/dbraw/zinc/99/18/85/554991885.db2.gz WUKKQTATEQNZNF-NHOCJEJCSA-N 0 1 589.607 10.421 50 0 KKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@@H]3c2cccc(F)c2)cc1 ZINC000102647240 554993360 /nfs/dbraw/zinc/99/33/60/554993360.db2.gz ZETURIUMHOUPJS-WXTAPIANSA-N 0 1 510.487 6.947 50 0 KKAAMN Cc1ccc2c(c1)[C@]1(C(=O)N2)N2CCC[C@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000102673868 555003589 /nfs/dbraw/zinc/00/35/89/555003589.db2.gz LMNHSJQJTVBJIC-RQGZQSEYSA-N 0 1 513.597 5.163 50 0 KKAAMN COc1ccc([C@@H]2N(c3ccccc3)O[C@H]3C(=O)N(c4cccc(OC)c4)C(=O)[C@]32c2ccccc2)cc1 ZINC000102708855 555015873 /nfs/dbraw/zinc/01/58/73/555015873.db2.gz AMQXICBZAUZORP-QYDYLWNGSA-N 0 1 506.558 5.077 50 0 KKAAMN COc1ccc([C@@H]2N(c3ccccc3)OC3C(=O)N(c4cccc(OC)c4)C(=O)[C@]32c2ccccc2)cc1 ZINC000102708855 555015875 /nfs/dbraw/zinc/01/58/75/555015875.db2.gz AMQXICBZAUZORP-QYDYLWNGSA-N 0 1 506.558 5.077 50 0 KKAAMN O=C(CCCCCn1c(=O)c2cc(Br)ccc2[nH]c1=S)N1CCN(c2cccc(Cl)c2)CC1 ZINC000102753963 555045709 /nfs/dbraw/zinc/04/57/09/555045709.db2.gz LOQBFZHDYJOHAF-UHFFFAOYSA-N 0 1 549.922 5.384 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4cccc(F)c4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000102763360 555053755 /nfs/dbraw/zinc/05/37/55/555053755.db2.gz CMVWLEGROGMBLI-ZONZVBGPSA-N 0 1 504.558 5.454 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4cccc(OC)c4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000102764850 555054381 /nfs/dbraw/zinc/05/43/81/555054381.db2.gz SEBWNEDSEFFUBN-JCYYIGJDSA-N 0 1 516.594 5.324 50 0 KKAAMN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(OC)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC ZINC000102764850 555054382 /nfs/dbraw/zinc/05/43/82/555054382.db2.gz SEBWNEDSEFFUBN-JCYYIGJDSA-N 0 1 516.594 5.324 50 0 KKAAMN O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000102770897 555058663 /nfs/dbraw/zinc/05/86/63/555058663.db2.gz YIGWGOIKVPCXAU-BCJTWVECSA-N 0 1 625.144 6.388 50 0 KKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000102788905 555068570 /nfs/dbraw/zinc/06/85/70/555068570.db2.gz UUWOPTGXMFQEMQ-WKRVVKTRSA-N 0 1 546.633 8.963 50 0 KKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3cccc(Cl)c3)C2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000102788865 555068588 /nfs/dbraw/zinc/06/85/88/555068588.db2.gz WFGIDTCASYZESY-KEEVHDRGSA-N 0 1 517.025 7.317 50 0 KKAAMN COc1ccc(-c2cccc(-c3nc(CN4CCC[C@@H](CCc5ccc(C(C)(C)C)cc5)C4)cs3)c2)c(OC)c1OC 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ZINC000102866575 555095790 /nfs/dbraw/zinc/09/57/90/555095790.db2.gz PHOGWFLWDJLMSZ-GDJIYFAZSA-N 0 1 536.550 7.206 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3Cl)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102867387 555097043 /nfs/dbraw/zinc/09/70/43/555097043.db2.gz PRZYEIBVGKCEPV-CDACFMRSSA-N 0 1 561.037 6.205 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1ccncc1 ZINC000102874842 555104866 /nfs/dbraw/zinc/10/48/66/555104866.db2.gz KPMBPLTWDAALRC-OGVWKLGRSA-N 0 1 521.705 8.510 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@@H]1c1ccccc1Cl ZINC000102879776 555108643 /nfs/dbraw/zinc/10/86/43/555108643.db2.gz VLKLAEJZMIDSMT-ZWVRTZEQSA-N 0 1 555.162 9.768 50 0 KKAAMN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@@H]3c2cccc(F)c2)cc(OC)c1OC ZINC000102881095 555109774 /nfs/dbraw/zinc/10/97/74/555109774.db2.gz DPQDHIYWHCXKSM-CBZJRKILSA-N 0 1 570.539 6.964 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@@H]1c1cccc(OC)c1 ZINC000102881741 555110048 /nfs/dbraw/zinc/11/00/48/555110048.db2.gz DVJCOPSKTDTCTD-UDNBHOFDSA-N 0 1 512.625 7.965 50 0 KKAAMN COc1ccc(OC)c(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000102891897 555128207 /nfs/dbraw/zinc/12/82/07/555128207.db2.gz TXPDZRGFCPSHFU-HKFRAXQBSA-N 0 1 562.647 5.621 50 0 KKAAMN 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 555128713 /nfs/dbraw/zinc/12/87/13/555128713.db2.gz NTYZTCUSRHTOFQ-LSBIRFPWSA-N 0 1 571.073 5.946 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(=C(O)c2ccccc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000102892898 555129575 /nfs/dbraw/zinc/12/95/75/555129575.db2.gz JLXABJXTIHIMBM-KCIBBDPESA-N 0 1 565.094 6.956 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@H]1c1ccco1 ZINC000102926042 555150464 /nfs/dbraw/zinc/15/04/64/555150464.db2.gz WCPPYOOMIUKFEA-JIYROHSKSA-N 0 1 510.678 8.708 50 0 KKAAMN COc1ccc([C@@H]2C3=C(C[C@@H](c4cccc(F)c4)CC3=O)Nc3ccccc3N2C(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000102929773 555155845 /nfs/dbraw/zinc/15/58/45/555155845.db2.gz HIJOVAPPELJIHE-APYJYERMSA-N 0 1 587.478 9.005 50 0 KKAAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=S)Nc3ccccc3)[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000102930412 555156946 /nfs/dbraw/zinc/15/69/46/555156946.db2.gz BPNPYLRRIRJTEQ-AREMUKBSSA-N 0 1 522.501 8.656 50 0 KKAAMN O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(N2CCCC2)c(NS(=O)(=O)c2cccc(Cl)c2)c1 ZINC000102972481 555182172 /nfs/dbraw/zinc/18/21/72/555182172.db2.gz XTGCAMAJLDOMCC-UHFFFAOYSA-N 0 1 526.467 5.195 50 0 KKAAMN CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc(S(=O)(=O)Nc3ccc(OCC)cc3)c(Cl)cc2Cl)c1C ZINC000102975343 555185471 /nfs/dbraw/zinc/18/54/71/555185471.db2.gz GAGGZMGMBLIARA-INIZCTEOSA-N 0 1 611.500 5.743 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)O[C@H](C)C(=O)N(CCc2ccccc2)Cc2ccccc2)c1 ZINC000102975492 555185637 /nfs/dbraw/zinc/18/56/37/555185637.db2.gz BHUKPENWHSIDJT-RUZDIDTESA-N 0 1 586.710 5.621 50 0 KKAAMN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3OC)c2)cc1 ZINC000102976503 555186596 /nfs/dbraw/zinc/18/65/96/555186596.db2.gz YWZJUVDMBFHKLS-UHFFFAOYSA-N 0 1 554.628 5.610 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000102984557 555190233 /nfs/dbraw/zinc/19/02/33/555190233.db2.gz TUHNOBSLWGKJCG-ROTAYESASA-N 0 1 514.622 7.427 50 0 KKAAMN CCCOc1c(Cl)cc(C(=O)Nc2ccc(OC)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc1OC ZINC000102994149 555194112 /nfs/dbraw/zinc/19/41/12/555194112.db2.gz SNTWHGMEUWYIOK-UHFFFAOYSA-N 0 1 539.437 5.853 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3cccc(C(F)(F)F)c3)C2=O)c1 ZINC000102995734 555195156 /nfs/dbraw/zinc/19/51/56/555195156.db2.gz LGLTWIBEAXJJAB-BWAHOGKJSA-N 0 1 593.583 6.155 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ccc(Cl)cc3Cl)C2=O)c1 ZINC000103004952 555203317 /nfs/dbraw/zinc/20/33/17/555203317.db2.gz KHSMGPZUFORPIF-QJOMJCCJSA-N 0 1 594.476 6.443 50 0 KKAAMN CSCC[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccccc3)C2=O)[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]12 ZINC000103008241 555205005 /nfs/dbraw/zinc/20/50/05/555205005.db2.gz XISMLAMAWBDSCB-KRKRULMMSA-N 0 1 547.680 5.113 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)COc2ccccc2-c2ccccc2)ccc1N1CCOCC1 ZINC000103011797 555206500 /nfs/dbraw/zinc/20/65/00/555206500.db2.gz CSOAMEYXCTVEBV-UHFFFAOYSA-N 0 1 573.671 5.017 50 0 KKAAMN O=C(Nc1ccc(F)c(F)c1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(C(=O)NC2CCCCC2)c1 ZINC000103024119 555214604 /nfs/dbraw/zinc/21/46/04/555214604.db2.gz KXHICQHCELUQBE-UHFFFAOYSA-N 0 1 547.650 5.994 50 0 KKAAMN CCN1CCN(c2c(CN(CCC(C)C)C(=O)c3cccc(Br)c3)c(C)nn2-c2ccccc2)CC1 ZINC000103024433 555214804 /nfs/dbraw/zinc/21/48/04/555214804.db2.gz WXKKVYVQLGWWBR-UHFFFAOYSA-N 0 1 552.561 5.774 50 0 KKAAMN CCN1CCN(c2c(CN(C(=O)c3ccc(Cl)c(Cl)c3)C3CC3)c(C)nn2-c2cccc(F)c2)CC1 ZINC000103025315 555215509 /nfs/dbraw/zinc/21/55/09/555215509.db2.gz REPCSZPLZVWLMO-UHFFFAOYSA-N 0 1 530.475 5.573 50 0 KKAAMN COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(-n2nc(OCC(C)C)nc2-c2cccc(F)c2)cc1 ZINC000103047335 555229054 /nfs/dbraw/zinc/22/90/54/555229054.db2.gz YLNIORQNBFQXDJ-UHFFFAOYSA-N 0 1 575.460 5.680 50 0 KKAAMN CCN(CC)c1ccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc32)cc1S(=O)(=O)Nc1ccccc1OC ZINC000103049907 555232186 /nfs/dbraw/zinc/23/21/86/555232186.db2.gz HZOWELRCFYHAMI-UHFFFAOYSA-N 0 1 594.737 7.118 50 0 KKAAMN Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C1=C(c2c[nH]c3ccccc32)C(=O)N(Cc2ccc(F)cc2)C1=O ZINC000103058656 555239289 /nfs/dbraw/zinc/23/92/89/555239289.db2.gz ZAUDLFNZGMGMCX-UHFFFAOYSA-N 0 1 526.955 5.640 50 0 KKAAMN CCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COc1ccccc1C ZINC000103064953 555245441 /nfs/dbraw/zinc/24/54/41/555245441.db2.gz VKEFOSCWQNXSIT-JGCGQSQUSA-N 0 1 583.817 6.887 50 0 KKAAMN Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C1=C(c2[nH]c3ccccc3c2C)C(=O)N(Cc2ccc(F)cc2)C1=O ZINC000103105735 555282786 /nfs/dbraw/zinc/28/27/86/555282786.db2.gz QXQLECVMCFOXBM-UHFFFAOYSA-N 0 1 540.982 5.948 50 0 KKAAMN CCCCOc1ccc(C(=O)N(Cc2c(C)nn(-c3cccc(F)c3)c2N2CCN(C(C)C)CC2)C(C)C)cc1 ZINC000103132677 555302351 /nfs/dbraw/zinc/30/23/51/555302351.db2.gz OSMXLQWYTCLXBB-UHFFFAOYSA-N 0 1 549.735 6.080 50 0 KKAAMN Cc1cccc([C@H]2c3cc(OCc4ccc(C(=O)NCCN5CCCC5)o4)ccc3CCN2C(=O)C2CCCC2)c1 ZINC000103159858 555320542 /nfs/dbraw/zinc/32/05/42/555320542.db2.gz SQRFXBBXRXSSEP-YTTGMZPUSA-N 0 1 555.719 5.657 50 0 KKAAMN COc1cc(CN2CCCN(c3ccc(C)cc3NS(=O)(=O)c3cccc(Cl)c3)C2=O)cc(OC)c1 ZINC000103182872 555329647 /nfs/dbraw/zinc/32/96/47/555329647.db2.gz OTBDMVNPVIVHMW-UHFFFAOYSA-N 0 1 530.046 5.299 50 0 KKAAMN CC(C)c1ccc(NC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)c(C(=O)NC3CCCCC3)c2)cc1 ZINC000103190695 555333401 /nfs/dbraw/zinc/33/34/01/555333401.db2.gz SRPGSDZBEGJANM-UHFFFAOYSA-N 0 1 553.751 6.839 50 0 KKAAMN CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(C(C)C)CC1)C(=O)Nc1ccc(OCC)cc1 ZINC000103196547 555334900 /nfs/dbraw/zinc/33/49/00/555334900.db2.gz HANDKOHKRVBWQY-UHFFFAOYSA-N 0 1 550.723 5.947 50 0 KKAAMN CCN1CCN(c2c(CN(CCC(C)C)S(=O)(=O)c3ccc(Br)cc3)c(C)nn2-c2ccccc2)CC1 ZINC000103201561 555337547 /nfs/dbraw/zinc/33/75/47/555337547.db2.gz CNVMRGCLIBRVOU-UHFFFAOYSA-N 0 1 588.616 5.322 50 0 KKAAMN CCN1CCN(c2c(CN(CC(C)C)S(=O)(=O)c3cccc(C(F)(F)F)c3)c(C)nn2-c2ccccc2)CC1 ZINC000103368765 555366156 /nfs/dbraw/zinc/36/61/56/555366156.db2.gz RPKZXPKVDHBFEF-UHFFFAOYSA-N 0 1 563.690 5.188 50 0 KKAAMN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CN(C[C@H](O)COCc1ccccc1)CC1CC1 ZINC000103386947 555374354 /nfs/dbraw/zinc/37/43/54/555374354.db2.gz STSPBKQRPXHSAT-MHZLTWQESA-N 0 1 533.619 6.041 50 0 KKAAMN COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(-n2nc(OC(C)C)nc2-c2ccc(C(F)(F)F)cc2)cc1 ZINC000103425827 555406637 /nfs/dbraw/zinc/40/66/37/555406637.db2.gz XCKGPEHRQOIANI-UHFFFAOYSA-N 0 1 611.440 6.312 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccc4c(c3)OCO4)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N32)c1 ZINC000103532446 555432961 /nfs/dbraw/zinc/43/29/61/555432961.db2.gz QYHDOVMMBAAWSD-FKGBSIOTSA-N 0 1 570.601 5.280 50 0 KKAAMN COc1cccc(C(O)=C2[C@H](C(=O)c3ccccc3F)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000103536020 555435593 /nfs/dbraw/zinc/43/55/93/555435593.db2.gz ARHLRNPVGBBQBT-CDACFMRSSA-N 0 1 544.582 5.690 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2C(=C(O)c3ccc(OC)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N32)cc1 ZINC000103545347 555440364 /nfs/dbraw/zinc/44/03/64/555440364.db2.gz VYVVVCHSIGQPSQ-RAESKKBESA-N 0 1 556.618 5.560 50 0 KKAAMN COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(C=Cc4ccc(CN5C[C@@H](C)O[C@@H](C)C5)cc4)n[nH]c3c1)C(=O)N2 ZINC000145048061 562836883 /nfs/dbraw/zinc/83/68/83/562836883.db2.gz DADASRPKWOGKCU-FVTQAUBDSA-N 0 1 534.660 5.729 50 0 in-vitro KKAAMN CC1=NN(c2ccc(C)cc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CCN(Cc3ccccc3)C[C@H]12 ZINC000103899902 571368954 /nfs/dbraw/zinc/36/89/54/571368954.db2.gz ZRXMRYXHPCGGLA-LMSSTIIKSA-N 0 1 529.482 5.414 50 0 KKAAMN O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1[C@H](C(=O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000103989314 571370924 /nfs/dbraw/zinc/37/09/24/571370924.db2.gz CDZOTDFZTYOTMC-GEHWIAFRSA-N 0 1 620.680 7.132 50 0 KKAAMN CC(C)(C)c1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000104028388 571371446 /nfs/dbraw/zinc/37/14/46/571371446.db2.gz FDOHYBZVEJDOJO-LJAQVGFWSA-N 0 1 562.541 9.789 50 0 KKAAMN O=C(Nc1ccccc1)[C@@H]1[C@H](C(=O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000104092949 571373593 /nfs/dbraw/zinc/37/35/93/571373593.db2.gz NDHJEWNVIZTEAB-NBJHOTSESA-N 0 1 529.571 5.438 50 0 KKAAMN CC(C)c1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)C[C@H]1C ZINC000105060828 571390766 /nfs/dbraw/zinc/39/07/66/571390766.db2.gz HNWYPQMPLZHZNV-GJBXTBEHSA-N 0 1 590.809 7.236 50 0 KKAAMN C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000105061503 571390977 /nfs/dbraw/zinc/39/09/77/571390977.db2.gz SGHUENSJVVOIES-DNOBIOAJSA-N 0 1 575.537 6.296 50 0 KKAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000105061836 571391052 /nfs/dbraw/zinc/39/10/52/571391052.db2.gz RGYKOMQVFFEZHE-HRFSGMKKSA-N 0 1 556.559 6.074 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 ZINC000106019178 571410669 /nfs/dbraw/zinc/41/06/69/571410669.db2.gz CGUYSYHDJNQRAM-JCYYIGJDSA-N 0 1 572.976 5.758 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000106019849 571410761 /nfs/dbraw/zinc/41/07/61/571410761.db2.gz VIQSGCVZJLASTE-CUTZTJRCSA-N 0 1 554.646 6.250 50 0 KKAAMN Cc1ccc2c(c1)N1[C@H](C=C2)[C@]2(C(=O)Nc3ccccc32)C(=C(O)c2ccc(F)cc2)[C@H]1C(=O)c1ccccc1 ZINC000108521811 571425974 /nfs/dbraw/zinc/42/59/74/571425974.db2.gz BORWYOQJADXEQG-HPNWTYDNSA-N 0 1 528.583 5.990 50 0 KKAAMN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000137681073 571450441 /nfs/dbraw/zinc/45/04/41/571450441.db2.gz WSGXYDUGBGMQTN-UPRLRBBYSA-N 0 1 500.595 5.624 50 0 KKAAMN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC ZINC000137681073 571450442 /nfs/dbraw/zinc/45/04/42/571450442.db2.gz WSGXYDUGBGMQTN-UPRLRBBYSA-N 0 1 500.595 5.624 50 0 KKAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1Br ZINC000137950835 571450835 /nfs/dbraw/zinc/45/08/35/571450835.db2.gz APJKPZYGRPGHCC-BHDDXSALSA-N 0 1 513.775 5.162 50 0 KKAAMN O=C(NCc1ccco1)C(=Cc1c(-c2ccccc2)n[nH]c1-c1ccc(F)cc1)NC(=O)c1ccc(Cl)cc1Cl ZINC000138096452 571450989 /nfs/dbraw/zinc/45/09/89/571450989.db2.gz IONDYTDBZPCBFX-WGOQTCKBSA-N 0 1 575.427 6.870 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(OCC)cc4)c(O)c3ON2c2ccccc2)cc1OC ZINC000143608102 571456306 /nfs/dbraw/zinc/45/63/06/571456306.db2.gz NVXWALLRGFWALS-UPRLRBBYSA-N 0 1 516.594 5.324 50 0 KKAAMN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(OCC)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OC ZINC000143608102 571456307 /nfs/dbraw/zinc/45/63/07/571456307.db2.gz NVXWALLRGFWALS-UPRLRBBYSA-N 0 1 516.594 5.324 50 0 KKAAMN CCCCCCOc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4cc(C)cc(C)c4C)c(C(F)(F)F)oc3c2CN(CCC)CCC)cc1 ZINC000150388807 571471047 /nfs/dbraw/zinc/47/10/47/571471047.db2.gz NHJYGHSPPHLRCK-UHFFFAOYSA-N 0 1 681.792 10.330 50 0 KKAAMN CCC(C)(C)c1ccc(OCC(=O)Nc2cccc(C(=O)Nc3[nH]n(-c4c(Cl)cc(Cl)cc4Cl)c(=O)c3Sc3ccccc3)c2)c(C(C)(C)CC)c1 ZINC000150390992 571473355 /nfs/dbraw/zinc/47/33/55/571473355.db2.gz WQXWIMJGABTDQE-PGUFJCEWSA-N 0 1 780.218 10.291 50 0 KKAAMN CCOc1cc([C@H]2C3=C(C[C@@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(=O)C(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000150398787 571477494 /nfs/dbraw/zinc/47/74/94/571477494.db2.gz LKQSJBOWWGXSDG-AYAMJOBCSA-N 0 1 655.622 10.177 50 0 KKAAMN COc1cc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cccc(Cl)c2C)cc(OC)c1OC ZINC000150403400 571478785 /nfs/dbraw/zinc/47/87/85/571478785.db2.gz KDPYOPGPXPCHIT-XZOQPEGZSA-N 0 1 644.722 7.041 50 0 KKAAMN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccc(Cl)c(Cl)c2)[C@H]3c2cccc(Br)c2)cc1 ZINC000150406545 571479857 /nfs/dbraw/zinc/47/98/57/571479857.db2.gz CIYNQOCICHZWMP-UDNBHOFDSA-N 0 1 632.385 9.928 50 0 KKAAMN COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](c4cc(OC)c(OC)c(OC)c4)C3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000150410317 571482733 /nfs/dbraw/zinc/48/27/33/571482733.db2.gz MPJYHPGQIDHCQO-XYTTWMLMSA-N 0 1 740.806 7.628 50 0 KKAAMN CCOc1cc([C@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)ccc1OCc1ccc(Cl)cc1 ZINC000150414579 571485202 /nfs/dbraw/zinc/48/52/02/571485202.db2.gz FRBZBSIQVLUFJL-LHAPQZOASA-N 0 1 677.119 9.439 50 0 KKAAMN CCOc1cc([C@@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)ccc1OCc1ccc(Cl)cc1 ZINC000150416621 571486033 /nfs/dbraw/zinc/48/60/33/571486033.db2.gz LSEYQPZWCPMJKI-BYUPDSDESA-N 0 1 649.187 9.286 50 0 KKAAMN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCCN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000150418790 571486695 /nfs/dbraw/zinc/48/66/95/571486695.db2.gz QHDFULCTZWBZTE-LJAQVGFWSA-N 0 1 682.218 5.208 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000150418520 571486714 /nfs/dbraw/zinc/48/67/14/571486714.db2.gz QFCNUNRGCJXESN-YTTGMZPUSA-N 0 1 645.895 5.736 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000150418520 571486715 /nfs/dbraw/zinc/48/67/15/571486715.db2.gz QFCNUNRGCJXESN-YTTGMZPUSA-N 0 1 645.895 5.736 50 0 KKAAMN CCOc1cc([C@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000150419688 571487164 /nfs/dbraw/zinc/48/71/64/571487164.db2.gz SIIKAVVURVKLAN-OJVJLOJWSA-N 0 1 685.220 10.190 50 0 KKAAMN COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4ccccc4)C3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000150419953 571487214 /nfs/dbraw/zinc/48/72/14/571487214.db2.gz YZOPLKIMLXNHAW-IYLMVCPTSA-N 0 1 650.728 7.602 50 0 KKAAMN Cc1c(NC(=O)c2cccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(Br)cc3)c2)c(=O)n(-c2ccccc2)n1C ZINC000150424418 571489141 /nfs/dbraw/zinc/48/91/41/571489141.db2.gz KAONPMHMSXCVGW-UHFFFAOYSA-N 0 1 660.550 5.552 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2[C@H](C(=O)OC(c3ccccc3)c3ccccc3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1OC ZINC000150424477 571489199 /nfs/dbraw/zinc/48/91/99/571489199.db2.gz IYERFCUYSKPHJI-LLCAVZNQSA-N 0 1 662.742 7.010 50 0 KKAAMN COc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000150431674 571493680 /nfs/dbraw/zinc/49/36/80/571493680.db2.gz HHUONSCCAPUPTL-DHIUTWEWSA-N 0 1 630.695 6.732 50 0 KKAAMN COc1cc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Cl)cc2)cc(OC)c1OC ZINC000150440289 571497845 /nfs/dbraw/zinc/49/78/45/571497845.db2.gz NRGIENJQXHWYGS-FGZHOGPDSA-N 0 1 630.695 6.732 50 0 KKAAMN COc1cc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Cl)cc2)cc(OC)c1OC ZINC000150440279 571497875 /nfs/dbraw/zinc/49/78/75/571497875.db2.gz NRGIENJQXHWYGS-YADHBBJMSA-N 0 1 630.695 6.732 50 0 KKAAMN Ic1cccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4ccc(-c5nc(-c6cccc(I)c6)[nH]c5-c5ccccc5)cc4)cc3)[nH]2)c1 ZINC000150591747 571522185 /nfs/dbraw/zinc/52/21/85/571522185.db2.gz SNUFOQGCUGTWKY-UHFFFAOYSA-N 0 1 842.522 12.011 50 0 KKAAMN Ic1cccc(-c2nc(-c3ccc(-c4ccc(-c5nc(-c6cccc(I)c6)[nH]c5-c5ccccc5)cc4)cc3)c(-c3ccccc3)[nH]2)c1 ZINC000150591747 571522186 /nfs/dbraw/zinc/52/21/86/571522186.db2.gz SNUFOQGCUGTWKY-UHFFFAOYSA-N 0 1 842.522 12.011 50 0 KKAAMN COc1ccc(-c2nc(NN)nc(-c3nc(=NN)[nH]c(-c4ccc(OC)cc4)c3-c3ccc(OC)cc3)c2-c2ccc(OC)cc2)cc1 ZINC000150596892 571522319 /nfs/dbraw/zinc/52/23/19/571522319.db2.gz SJCZYXZDPWKZRT-UHFFFAOYSA-N 0 1 642.720 6.207 50 0 KKAAMN CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C[C@@H](O)COCc1ccccc1 ZINC000169680358 571556720 /nfs/dbraw/zinc/55/67/20/571556720.db2.gz XTIWKHOZTQKLTP-IXCJQBJRSA-N 0 1 536.738 5.159 50 0 KKAAMN CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C[C@@H](O)COCc1ccccc1 ZINC000169680358 571556721 /nfs/dbraw/zinc/55/67/21/571556721.db2.gz XTIWKHOZTQKLTP-IXCJQBJRSA-N 0 1 536.738 5.159 50 0 KKAAMN CC[C@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H](O)COCc1ccccc1 ZINC000169681577 571557465 /nfs/dbraw/zinc/55/74/65/571557465.db2.gz UAXRSEWQUQEUOH-RBJSKKJNSA-N 0 1 529.681 6.160 50 0 KKAAMN C=CC(=O)Nc1ccc(CN(C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)c2cc(Nc3ccc(N4CCN(C)CC4)cc3)ncn2)cc1 ZINC000209735140 571575269 /nfs/dbraw/zinc/57/52/69/571575269.db2.gz SFLKJNSBBVSPFE-UHFFFAOYSA-N 0 1 691.620 6.659 50 0 KKAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2ccc(OC(C)C)c(OC)c2)cc1OC ZINC000263585073 572116564 /nfs/dbraw/zinc/11/65/64/572116564.db2.gz DVSJITXHYNWHQH-GOSISDBHSA-N 0 1 532.545 5.420 50 0 KKAAMN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc2nc(CCc3ccccc3)[nH]c2c1 ZINC000263586428 572122874 /nfs/dbraw/zinc/12/28/74/572122874.db2.gz UJMRFMVRHLFUPD-YTKQRVGRSA-N 0 1 717.867 6.990 50 0 KKAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OC ZINC000263586587 572124116 /nfs/dbraw/zinc/12/41/16/572124116.db2.gz VZINWMJNLMVBIZ-IBGZPJMESA-N 0 1 572.654 6.924 50 0 KKAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OC ZINC000263586588 572124391 /nfs/dbraw/zinc/12/43/91/572124391.db2.gz VZINWMJNLMVBIZ-LJQANCHMSA-N 0 1 572.654 6.924 50 0 KKAAMN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(CC)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC ZINC000226814311 572142146 /nfs/dbraw/zinc/14/21/46/572142146.db2.gz ZHNFUFCFIZKELK-UPRLRBBYSA-N 0 1 500.595 5.488 50 0 KKAAMN CC(=O)[C@@H]1C(=C(O)c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3c4ccccc4ccc3N12 ZINC000226838664 572143402 /nfs/dbraw/zinc/14/34/02/572143402.db2.gz JNONEFZBHJQXSE-MLSLEFIRSA-N 0 1 519.000 6.055 50 0 KKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3c4ccccc4ccc3N12 ZINC000226837985 572143450 /nfs/dbraw/zinc/14/34/50/572143450.db2.gz NGUMLAHLDICPQS-MLSLEFIRSA-N 0 1 519.000 6.055 50 0 KKAAMN COc1cccc(C(O)=C2[C@H](C(=O)c3ccccc3F)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000226888593 572144429 /nfs/dbraw/zinc/14/44/29/572144429.db2.gz ARHLRNPVGBBQBT-YQQRZDPSSA-N 0 1 544.582 5.690 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccc(F)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=Cc4ccccc4N23)c1 ZINC000226888529 572144669 /nfs/dbraw/zinc/14/46/69/572144669.db2.gz SDVTXTLGUFYSAS-AOFBEVEVSA-N 0 1 544.582 5.690 50 0 KKAAMN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C([O-])=C3ON2c2ccccc2)cc1OCC ZINC000226873232 572144720 /nfs/dbraw/zinc/14/47/20/572144720.db2.gz QQLFJLVMQCIPOZ-UPRLRBBYSA-N 0 1 500.595 5.542 50 0 KKAAMN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC ZINC000226873232 572144724 /nfs/dbraw/zinc/14/47/24/572144724.db2.gz QQLFJLVMQCIPOZ-UPRLRBBYSA-N 0 1 500.595 5.542 50 0 KKAAMN Cc1[nH]c2ccccc2c1[C@@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2ON1c1ccccc1 ZINC000226905013 572145407 /nfs/dbraw/zinc/14/54/07/572145407.db2.gz ZNEGYHPAXNBYEZ-WXFUMESZSA-N 0 1 502.368 5.290 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2C(=C(O)c3cccnc3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000226913613 572145510 /nfs/dbraw/zinc/14/55/10/572145510.db2.gz MPYXLRDDQSGUAQ-WYODCFETSA-N 0 1 539.635 5.945 50 0 KKAAMN Cc1ccc(C(O)=C2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccc(C)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227025389 572147482 /nfs/dbraw/zinc/14/74/82/572147482.db2.gz IZNQXJDTNLMEAP-UIUKDCGCSA-N 0 1 559.065 6.813 50 0 KKAAMN CCOc1cc([C@@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000227023745 572147675 /nfs/dbraw/zinc/14/76/75/572147675.db2.gz HUFSSWPPXLWONS-FRXPANAUSA-N 0 1 555.030 6.369 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3Cl)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227064462 572147963 /nfs/dbraw/zinc/14/79/63/572147963.db2.gz KRAWAVSRNVXMPA-NLVFCZGTSA-N 0 1 573.092 7.149 50 0 KKAAMN O=C(c1ccccc1F)[C@@H]1C(=C(O)c2ccc3c(c2)OCO3)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000227030229 572148036 /nfs/dbraw/zinc/14/80/36/572148036.db2.gz QLGRIRDUKWOJIW-AOFBEVEVSA-N 0 1 558.565 5.411 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccc(F)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4ccccc4N23)c1 ZINC000227070785 572148949 /nfs/dbraw/zinc/14/89/49/572148949.db2.gz DEQTWKLIPPVCOZ-OLBUMSFYSA-N 0 1 558.609 6.081 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3Cl)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227066550 572149000 /nfs/dbraw/zinc/14/90/00/572149000.db2.gz PRZYEIBVGKCEPV-YQQRZDPSSA-N 0 1 561.037 6.205 50 0 KKAAMN CC(C)Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227067646 572149155 /nfs/dbraw/zinc/14/91/55/572149155.db2.gz RCTOPHZWRMEQHQ-UIUKDCGCSA-N 0 1 558.703 6.803 50 0 KKAAMN CC(C)(C)C(=O)[C@@H]1C(=C(O)c2ccc(Br)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000227083731 572149563 /nfs/dbraw/zinc/14/95/63/572149563.db2.gz PUZOFRLPUMZEQT-XZSHTLEFSA-N 0 1 589.917 6.691 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000227084157 572149801 /nfs/dbraw/zinc/14/98/01/572149801.db2.gz MQTZMIAOJDTZAC-ZGIBFIJWSA-N 0 1 585.454 6.088 50 0 KKAAMN CCCCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227086760 572150412 /nfs/dbraw/zinc/15/04/12/572150412.db2.gz VOSGPGIOPHVDAV-LCNNHFSHSA-N 0 1 581.156 7.661 50 0 KKAAMN CC(C)Cc1ccc(C(O)=C2[C@@H](C(=O)c3ccccc3Cl)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227233597 572150914 /nfs/dbraw/zinc/15/09/14/572150914.db2.gz YBGXFHSCFMYWJF-JMNGKNCGSA-N 0 1 587.119 7.395 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2C(=C(O)c3ccc4c(c3)OCO4)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000227230544 572151097 /nfs/dbraw/zinc/15/10/97/572151097.db2.gz BQTCEKOBHWDQGX-TTWTZOLTSA-N 0 1 582.656 6.278 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1OC ZINC000229592839 572154585 /nfs/dbraw/zinc/15/45/85/572154585.db2.gz XKCBLYFUOBLWCL-UIUKDCGCSA-N 0 1 556.618 5.560 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccc4c(c3)OCO4)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N32)c1 ZINC000229867083 572163384 /nfs/dbraw/zinc/16/33/84/572163384.db2.gz VDKDCQCYZSIFDO-NXPJMSRNSA-N 0 1 598.655 5.979 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1OC ZINC000229901740 572167472 /nfs/dbraw/zinc/16/74/72/572167472.db2.gz KCTHGZUOXIIMGF-HICIQRJKSA-N 0 1 564.682 5.991 50 0 KKAAMN CCCCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C(C)=C[C@H]3[C@]23c2ccccc2NC3=O)cc1 ZINC000229916309 572169077 /nfs/dbraw/zinc/16/90/77/572169077.db2.gz FQWBONXCEUBIIV-GLZHTZPGSA-N 0 1 560.738 7.398 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccc(F)cc3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4ccccc4N23)c1 ZINC000229919105 572169544 /nfs/dbraw/zinc/16/95/44/572169544.db2.gz DEQTWKLIPPVCOZ-XYIJYTLJSA-N 0 1 558.609 6.081 50 0 KKAAMN 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 572169777 /nfs/dbraw/zinc/16/97/77/572169777.db2.gz NTYZTCUSRHTOFQ-JDONGJSOSA-N 0 1 571.073 5.946 50 0 KKAAMN COc1cccc(C(O)=C2[C@H](C(=O)c3ccccc3Cl)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000229930770 572170843 /nfs/dbraw/zinc/17/08/43/572170843.db2.gz NGPBQPKJAPJDSF-CLWMVSBGSA-N 0 1 561.037 6.205 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@H](C(=O)c3ccc(OC)cc3)N3c4ccccc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229933998 572171053 /nfs/dbraw/zinc/17/10/53/572171053.db2.gz LNTCLMHEGZCQOO-OHVVKICRSA-N 0 1 582.700 6.894 50 0 KKAAMN CC1=C[C@@H]2N(c3ccc(Cl)cc31)[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c1ccc(CC(C)C)cc1)[C@]21C(=O)Nc2ccccc21 ZINC000229940730 572171678 /nfs/dbraw/zinc/17/16/78/572171678.db2.gz KXURFAPLYHJJQG-NRPAOZQWSA-N 0 1 581.156 7.517 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3Cl)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229940257 572171757 /nfs/dbraw/zinc/17/17/57/572171757.db2.gz PRZYEIBVGKCEPV-CLWMVSBGSA-N 0 1 561.037 6.205 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1OC ZINC000229941055 572172408 /nfs/dbraw/zinc/17/24/08/572172408.db2.gz XKCBLYFUOBLWCL-KVOHOPFUSA-N 0 1 556.618 5.560 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3Cl)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229942835 572172426 /nfs/dbraw/zinc/17/24/26/572172426.db2.gz KRAWAVSRNVXMPA-FJLMOIIKSA-N 0 1 573.092 7.149 50 0 KKAAMN CCCCCc1ccc(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229944049 572172537 /nfs/dbraw/zinc/17/25/37/572172537.db2.gz JBAPVEUVVINPCP-FJLMOIIKSA-N 0 1 572.730 7.337 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229967042 572174674 /nfs/dbraw/zinc/17/46/74/572174674.db2.gz UNNOOPIXWZNMAT-NAQGONTDSA-N 0 1 532.621 5.613 50 0 KKAAMN O=C(c1cccs1)[C@@H]1C(=C(O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000229966861 572174686 /nfs/dbraw/zinc/17/46/86/572174686.db2.gz MBAMLEPQTJUKSS-OVDFTCDZSA-N 0 1 502.595 5.604 50 0 KKAAMN CCCOc1ccc(-n2c(O)c3c(c2O)[C@@H](c2cc4ccccc4nc2Cl)N(c2ccccc2)O3)cc1 ZINC000229966878 572174730 /nfs/dbraw/zinc/17/47/30/572174730.db2.gz HZSICYNQWBCOCM-JIMJEQGWSA-N 0 1 513.981 5.728 50 0 KKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000229998513 572177536 /nfs/dbraw/zinc/17/75/36/572177536.db2.gz VLYVFFQCIYDANP-XVOBZGQLSA-N 0 1 547.836 5.665 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c2ccc(F)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000230005711 572177897 /nfs/dbraw/zinc/17/78/97/572177897.db2.gz ZHXMHXAMVWYVPG-ZPBGSLHZSA-N 0 1 522.620 6.113 50 0 KKAAMN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21C(=C(O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCCN21 ZINC000230006603 572178372 /nfs/dbraw/zinc/17/83/72/572178372.db2.gz ZUEMIEDFYRIAHR-QYDRJVAWSA-N 0 1 576.878 5.426 50 0 KKAAMN COc1cccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000230073295 572182661 /nfs/dbraw/zinc/18/26/61/572182661.db2.gz QCJAKAPRBRZDBT-CLWMVSBGSA-N 0 1 526.592 5.551 50 0 KKAAMN CCCCN(CCNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1)Cc1ccco1 ZINC000230077057 572182956 /nfs/dbraw/zinc/18/29/56/572182956.db2.gz ALWRIKVPWYIDRQ-SVBPBHIXSA-N 0 1 507.700 5.696 50 0 KKAAMN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c2ccc(CC(C)C)cc2)[C@@]12c1ccccc1NC2=O ZINC000230189346 572185088 /nfs/dbraw/zinc/18/50/88/572185088.db2.gz VYVHRPGSHGXTNI-NRPAOZQWSA-N 0 1 546.711 6.782 50 0 KKAAMN O=C1[C@@H]2[C@H](Cc3ccccc3)N[C@]3(c4ccccc4N(Cc4ccccc4)C3=O)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000245238438 572211901 /nfs/dbraw/zinc/21/19/01/572211901.db2.gz OUNJCHWZWVJYTM-DBPUXHPHSA-N 0 1 548.042 5.102 50 0 KKAAMN O=C(c1ccco1)C1[C@@H](C(=O)c2ccccc2Cl)N2c3ccccc3C=C[C@H]2[C@]12C(=O)Nc1ccccc12 ZINC000245240299 572213726 /nfs/dbraw/zinc/21/37/26/572213726.db2.gz QOMVAARPVKCEBK-ALBQUZEBSA-N 0 1 520.972 5.789 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)[C@@H](C(=O)c2ccc(CC(C)C)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000245245192 572217207 /nfs/dbraw/zinc/21/72/07/572217207.db2.gz BLSQYLSYJNHYJG-GIOIUPFBSA-N 0 1 586.757 7.501 50 0 KKAAMN 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 572217270 /nfs/dbraw/zinc/21/72/70/572217270.db2.gz BWEQFPMJXCVAOS-GZNUUUAQSA-N 0 1 559.493 6.972 50 0 KKAAMN COc1cccc(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccc(C)cc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000245246067 572218739 /nfs/dbraw/zinc/21/87/39/572218739.db2.gz GYVPQSCZAHIGTI-IANDGLOUSA-N 0 1 560.675 6.311 50 0 KKAAMN CC1=C[C@@H]2N(c3ccc(Cl)cc31)[C@H](C(=O)C(C)(C)C)[C@H](C(=O)c1ccc(CC(C)C)cc1)[C@@]21C(=O)Nc2ccccc21 ZINC000245246415 572219472 /nfs/dbraw/zinc/21/94/72/572219472.db2.gz KXURFAPLYHJJQG-NDCXGSNASA-N 0 1 581.156 7.517 50 0 KKAAMN COc1cccc(C(O)=C2[C@H](C(=O)c3ccc(C)cc3)N3c4ccc(C)cc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000245246778 572219847 /nfs/dbraw/zinc/21/98/47/572219847.db2.gz NHZLMWWVCOLXJE-DQGIEBHESA-N 0 1 568.673 6.558 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@H](C(=O)c3ccc(C)cc3)N3c4ccc(C)cc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245247186 572220340 /nfs/dbraw/zinc/22/03/40/572220340.db2.gz RDTKWHJDEOVLTE-OTGBHNIOSA-N 0 1 580.728 7.502 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245247548 572220822 /nfs/dbraw/zinc/22/08/22/572220822.db2.gz VMXXIZXSKCFXJO-IANDGLOUSA-N 0 1 579.121 7.210 50 0 KKAAMN CC(C)Cc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3Cl)N3c4ccccc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245247834 572221336 /nfs/dbraw/zinc/22/13/36/572221336.db2.gz YBGXFHSCFMYWJF-DQGIEBHESA-N 0 1 587.119 7.395 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(=C(O)c1ccc(Br)cc1)[C@]21C(=O)Nc2ccccc21 ZINC000245247965 572221452 /nfs/dbraw/zinc/22/14/52/572221452.db2.gz ZWUKXFVQPKWIQI-CKXMCULTSA-N 0 1 595.518 6.757 50 0 KKAAMN CC(C)COC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@H]1CCCO1 ZINC000245281244 572224796 /nfs/dbraw/zinc/22/47/96/572224796.db2.gz WPDHQPMIUOUXAW-AZGAKELHSA-N 0 1 511.638 5.033 50 0 KKAAMN Cc1ccc(C(=O)N2CCCN(C(=O)[C@H](C)N3CCc4sccc4[C@H]3c3ccccc3C)CC2)cc1 ZINC000245289978 572226231 /nfs/dbraw/zinc/22/62/31/572226231.db2.gz GLOXOEOMNNNGES-NEKDWFFYSA-N 0 1 501.696 5.076 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245309080 572227086 /nfs/dbraw/zinc/22/70/86/572227086.db2.gz APQGGCINDKCRQR-WASVBOSJSA-N 0 1 525.048 6.237 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1Cl)C(C(=O)c1ccco1)[C@]21C(=O)Nc2ccccc21 ZINC000245309473 572227680 /nfs/dbraw/zinc/22/76/80/572227680.db2.gz DLYNJURBUZENLF-BQUCCUTGSA-N 0 1 534.999 6.179 50 0 KKAAMN Cc1ccc(C(O)=C2[C@@H](C(=O)c3cccs3)N3c4ccc(C)cc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245310051 572228214 /nfs/dbraw/zinc/22/82/14/572228214.db2.gz GXTWKOGLUZIUQJ-DCMQHHMNSA-N 0 1 544.676 6.611 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245311327 572229375 /nfs/dbraw/zinc/22/93/75/572229375.db2.gz NMKBECSUGZNALP-IANDGLOUSA-N 0 1 544.676 6.557 50 0 KKAAMN COc1cccc(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000245312830 572230121 /nfs/dbraw/zinc/23/01/21/572230121.db2.gz XRENAJQEJDRCEY-PJGOFDOSSA-N 0 1 532.621 5.613 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(=C(O)c1ccccc1Cl)[C@@]21C(=O)Nc2ccccc21 ZINC000245312636 572230235 /nfs/dbraw/zinc/23/02/35/572230235.db2.gz WRHSBJXEQMDBBO-XTQYNZLPSA-N 0 1 525.048 6.319 50 0 KKAAMN CCCC[C@H](CC)C(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)C[C@H]1C ZINC000245327889 572234486 /nfs/dbraw/zinc/23/44/86/572234486.db2.gz KVPAGDBGALSPGE-RZIGYZOXSA-N 0 1 513.723 5.501 50 0 KKAAMN O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247459528 572242194 /nfs/dbraw/zinc/24/21/94/572242194.db2.gz AIWYYYCARYHFNE-KRWDZBQOSA-N 0 1 558.307 6.946 50 0 KKAAMN O=C(Nc1cccc(Cl)c1)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247480475 572242603 /nfs/dbraw/zinc/24/26/03/572242603.db2.gz ITFCHYHPQDLCQM-GOSISDBHSA-N 0 1 523.862 6.292 50 0 KKAAMN O=C(Nc1cccc2ccccc21)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247724475 572243701 /nfs/dbraw/zinc/24/37/01/572243701.db2.gz CLLWSCYJXFXQIC-JOCHJYFZSA-N 0 1 539.477 6.792 50 0 KKAAMN O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247725604 572243826 /nfs/dbraw/zinc/24/38/26/572243826.db2.gz DFAIJVICVRTTAU-SFHVURJKSA-N 0 1 523.862 6.292 50 0 KKAAMN O=C(Nc1ccccc1C(F)(F)F)[C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247737805 572243972 /nfs/dbraw/zinc/24/39/72/572243972.db2.gz LVJJGECIKPXQRE-SFHVURJKSA-N 0 1 557.414 6.658 50 0 KKAAMN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247734159 572244091 /nfs/dbraw/zinc/24/40/91/572244091.db2.gz JRWHFSAXCAYLPH-SFHVURJKSA-N 0 1 557.414 6.658 50 0 KKAAMN O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000247730610 572244160 /nfs/dbraw/zinc/24/41/60/572244160.db2.gz HBDFOCFVBQODHH-NBJHOTSESA-N 0 1 546.026 5.952 50 0 KKAAMN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247740681 572244177 /nfs/dbraw/zinc/24/41/77/572244177.db2.gz NLCULVGISUPKDD-QGZVFWFLSA-N 0 1 558.307 6.946 50 0 KKAAMN O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247736032 572244250 /nfs/dbraw/zinc/24/42/50/572244250.db2.gz KWZDVWCEMZJFDE-RUZDIDTESA-N 0 1 595.541 7.218 50 0 KKAAMN O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247741025 572244255 /nfs/dbraw/zinc/24/42/55/572244255.db2.gz NYOSVKCAOFCZRC-SFHVURJKSA-N 0 1 557.414 6.658 50 0 KKAAMN O=C(Nc1ccc(Cl)cc1)[C@@H]1C(=C(O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000247744876 572244357 /nfs/dbraw/zinc/24/43/57/572244357.db2.gz PXAJLINWNJTMMK-CILKRHGOSA-N 0 1 580.471 6.605 50 0 KKAAMN O=C(Nc1ccccc1Cl)[C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247744040 572244448 /nfs/dbraw/zinc/24/44/48/572244448.db2.gz PNGLQQSVNUALDV-SFHVURJKSA-N 0 1 523.862 6.292 50 0 KKAAMN O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247754550 572244638 /nfs/dbraw/zinc/24/46/38/572244638.db2.gz WFLCYMVAZHQCRY-GOSISDBHSA-N 0 1 523.862 6.292 50 0 KKAAMN O=C(c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000247794132 572245101 /nfs/dbraw/zinc/24/51/01/572245101.db2.gz BPOVVMXACUNIOC-HSZRJFAPSA-N 0 1 604.524 5.124 50 0 KKAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N(C1CCCCC1)C1CCCCC1 ZINC000247807911 572245369 /nfs/dbraw/zinc/24/53/69/572245369.db2.gz CISIYSQRBAOILC-AREMUKBSSA-N 0 1 547.187 7.444 50 0 KKAAMN Cc1cccc(C)c1N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000247860886 572246605 /nfs/dbraw/zinc/24/66/05/572246605.db2.gz GDKDCEAUVKOTPW-RUZDIDTESA-N 0 1 525.672 5.342 50 0 KKAAMN Cc1cccc(C)c1NC(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247859889 572246628 /nfs/dbraw/zinc/24/66/28/572246628.db2.gz FLEKPJOCEPAEQM-OAQYLSRUSA-N 0 1 517.471 6.256 50 0 KKAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000247870093 572247088 /nfs/dbraw/zinc/24/70/88/572247088.db2.gz QIBNJGTUTNXQHB-DEOSSOPVSA-N 0 1 596.097 6.318 50 0 KKAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000247871053 572247165 /nfs/dbraw/zinc/24/71/65/572247165.db2.gz QUAFEYCFHWNILI-QFIPXVFZSA-N 0 1 565.615 5.744 50 0 KKAAMN COc1ccc(Cn2c(CN3CCC[C@H](C(=O)N4CCN(c5ccccc5Cl)CC4)C3)nc3ccccc32)cc1 ZINC000247874535 572247404 /nfs/dbraw/zinc/24/74/04/572247404.db2.gz GMSWFSPBGHZSCQ-VWLOTQADSA-N 0 1 558.126 5.307 50 0 KKAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000247877045 572247963 /nfs/dbraw/zinc/24/79/63/572247963.db2.gz UKNDYFJDGAXMEF-JOCHJYFZSA-N 0 1 532.063 5.379 50 0 KKAAMN COc1ccc(Cn2c(CN3CCC[C@H](C(=O)N4CCN(c5ccc(F)c(Cl)c5)CC4)C3)nc3ccccc32)cc1 ZINC000247882236 572248061 /nfs/dbraw/zinc/24/80/61/572248061.db2.gz JHTFZAGYGKWYPI-DEOSSOPVSA-N 0 1 576.116 5.447 50 0 KKAAMN COc1ccc(Cn2c(CN3CCC[C@H](C(=O)NCCc4ccc(Cl)cc4)C3)nc3ccccc32)cc1 ZINC000247878478 572248082 /nfs/dbraw/zinc/24/80/82/572248082.db2.gz IBVMIDJIPGWYKT-DEOSSOPVSA-N 0 1 517.073 5.318 50 0 KKAAMN Cc1ccc(C)c(N2CCN(C(=O)[C@H]3CCCN(Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)c1 ZINC000247895495 572248739 /nfs/dbraw/zinc/24/87/39/572248739.db2.gz XFXKCKRXMMGOGZ-VWLOTQADSA-N 0 1 525.672 5.342 50 0 KKAAMN COc1ccc(Cn2c(CN3CCC[C@H](C(=O)N4CCN(c5ccc(Cl)cc5Cl)CC4)C3)nc3ccccc32)cc1 ZINC000247893376 572248783 /nfs/dbraw/zinc/24/87/83/572248783.db2.gz NKLBMGNVHHFVTA-DEOSSOPVSA-N 0 1 592.571 5.961 50 0 KKAAMN 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CC[C@H](C(=O)N1CCCN(C(=O)[C@@H](C)N2CCc3sccc3[C@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000248104960 572253669 /nfs/dbraw/zinc/25/36/69/572253669.db2.gz QLBLTERBNPVWOT-MQRABVPWSA-N 0 1 529.750 5.647 50 0 KKAAMN CCc1ccc(C(=O)N2CCCN(C(=O)[C@@H](C)N3CCc4sccc4[C@H]3c3ccccc3C)CC2)cc1 ZINC000248112817 572253709 /nfs/dbraw/zinc/25/37/09/572253709.db2.gz TWMAHXODAVPQFG-RNWIMVQKSA-N 0 1 515.723 5.330 50 0 KKAAMN Cc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000248108431 572253719 /nfs/dbraw/zinc/25/37/19/572253719.db2.gz MNFCGMDFUWCTHJ-XMMPIXPASA-N 0 1 572.551 5.657 50 0 KKAAMN Cc1cccc(NC(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)c1C ZINC000248122171 572254221 /nfs/dbraw/zinc/25/42/21/572254221.db2.gz VNIMQRWFVKVZEZ-NRFANRHFSA-N 0 1 517.471 6.256 50 0 KKAAMN Cc1cccc(CCNC(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)c1 ZINC000248122135 572254226 /nfs/dbraw/zinc/25/42/26/572254226.db2.gz VMDRETHVBJPCLJ-HSZRJFAPSA-N 0 1 531.498 5.667 50 0 KKAAMN 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0 KKAAMN CCc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000252013962 572259896 /nfs/dbraw/zinc/25/98/96/572259896.db2.gz UQNVPDTYVMDFBI-RUZDIDTESA-N 0 1 525.672 5.288 50 0 KKAAMN CC(C)c1ccc(NC(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)cc1 ZINC000252370327 572260193 /nfs/dbraw/zinc/26/01/93/572260193.db2.gz XNRXEFIYPDBAQT-QFIPXVFZSA-N 0 1 531.498 6.762 50 0 KKAAMN CC(C)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000252370521 572260256 /nfs/dbraw/zinc/26/02/56/572260256.db2.gz YDQYBSGQBJBFSV-OAQYLSRUSA-N 0 1 531.498 6.762 50 0 KKAAMN CC[C@@H]1N[C@@]2(c3ccccc3N(Cc3cccc4ccccc43)C2=O)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 ZINC000252428363 572260591 /nfs/dbraw/zinc/26/05/91/572260591.db2.gz ZRZZJVAOTLZBAC-OGVVQZFKSA-N 0 1 536.031 5.423 50 0 KKAAMN Cc1ccc(NC(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000253388991 572283164 /nfs/dbraw/zinc/28/31/64/572283164.db2.gz QFHVEBHURJSVJE-LYZGTLIUSA-N 0 1 520.674 5.298 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)Nc3n[nH]c(CCC4CCCC4)n3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253395805 572283899 /nfs/dbraw/zinc/28/38/99/572283899.db2.gz APCHDXMNBDNJEN-BDYUSTAISA-N 0 1 678.856 5.276 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CCSC)C(=O)Nc3nc(CCC4CCCC4)n[nH]3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253395805 572283900 /nfs/dbraw/zinc/28/39/00/572283900.db2.gz APCHDXMNBDNJEN-BDYUSTAISA-N 0 1 678.856 5.276 50 0 KKAAMN COc1ccc(CCOc2c(OC)cccc2[C@@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(Cl)cc5)coc-4c32)cc1 ZINC000253408542 572287040 /nfs/dbraw/zinc/28/70/40/572287040.db2.gz KVLGIWVMRWRSNE-DEOSSOPVSA-N 0 1 599.035 6.899 50 0 KKAAMN COc1cc(OC)c([C@@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(Cl)cc5)coc-4c32)cc1OC ZINC000253413046 572288344 /nfs/dbraw/zinc/28/83/44/572288344.db2.gz SVYZBSPULHNCLQ-INIZCTEOSA-N 0 1 508.910 5.286 50 0 KKAAMN CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)COc5cc(O)c6c(=O)cc(-c7ccccc7)oc6c5)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253497354 572291999 /nfs/dbraw/zinc/29/19/99/572291999.db2.gz WXIZXILJEQMMHV-HYNHRCRASA-N 0 1 680.926 10.498 50 0 KKAAMN CCCc1ccc(N2CCN(C(=O)[C@H]3CCCN(Cc4nc5ccccc5n4Cc4ccc(OC)cc4)C3)CC2)cc1 ZINC000253607295 572300876 /nfs/dbraw/zinc/30/08/76/572300876.db2.gz JFTFMJBDKCHXTK-LJAQVGFWSA-N 0 1 565.762 5.607 50 0 KKAAMN CCCc1ccc(NC(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1 ZINC000253607217 572300925 /nfs/dbraw/zinc/30/09/25/572300925.db2.gz CAUSFYGABPVROI-JOCHJYFZSA-N 0 1 531.498 6.591 50 0 KKAAMN CC(C)c1ccccc1N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000253607392 572300968 /nfs/dbraw/zinc/30/09/68/572300968.db2.gz QUVHGMSQBNXAKF-RUZDIDTESA-N 0 1 539.699 5.849 50 0 KKAAMN CCCc1ccccc1NC(=O)[C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000253607548 572301041 /nfs/dbraw/zinc/30/10/41/572301041.db2.gz WCEWYHQHGVRDEW-QFIPXVFZSA-N 0 1 531.498 6.591 50 0 KKAAMN CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]2O[C@H](SC)[C@H](O)[C@@H]3O[C@H](c4ccc(OC)cc4)O[C@@H]32)N(C)C1 ZINC000257359385 572322176 /nfs/dbraw/zinc/32/21/76/572322176.db2.gz ZXIDTTGVCKUJNE-UKINDIFNSA-N 0 1 767.001 6.929 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CC(C)C)C(=O)Nc3ccc4nc(C(C)C)[nH]c4c3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000409414873 1069812589 /nfs/dbraw/zinc/81/25/89/1069812589.db2.gz QDTTXGCXZGCQJL-FREGXXQWSA-N 0 1 655.796 6.328 50 0 KKAAMN COC(=O)C[C@H](c1ccc(C(C)C)cc1)c1c(O)c(C(C)=O)cc([C@@H]2OCc3cnc(C)c(O)c32)c1O ZINC000524730182 1069831511 /nfs/dbraw/zinc/83/15/11/1069831511.db2.gz YOFFZPHGIPRJHC-PBBNMVCDSA-N 0 1 505.567 5.147 50 0 KKAAMN COC(=O)C[C@H](c1cccc(OCc2ccccc2)c1)c1c(O)c(C(C)=O)cc([C@@H]2OCc3cnc(C)c(O)c32)c1O ZINC000524730172 1069831630 /nfs/dbraw/zinc/83/16/30/1069831630.db2.gz YJZOHRSWCKOMTR-HPMVVLTCSA-N 0 1 569.610 5.603 50 0 KKAAMN COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccccc5)coc-4c32)cc1OCCc1ccc2c(c1)CCO2 ZINC000524732116 1069836183 /nfs/dbraw/zinc/83/61/83/1069836183.db2.gz YEMFGGFURHFNPF-DEOSSOPVSA-N 0 1 576.601 6.172 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccc(F)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)c1 ZINC000524733677 1069839083 /nfs/dbraw/zinc/83/90/83/1069839083.db2.gz DEQTWKLIPPVCOZ-ZXFZPVEDSA-N 0 1 558.609 6.081 50 0 KKAAMN O=C(COc1ccc(-c2ncccn2)cc1CN1CCc2ccccc2C1)NCc1cc2ccccc2s1 ZINC000023506297 1070604693 /nfs/dbraw/zinc/60/46/93/1070604693.db2.gz OITLCXFGLLRPFZ-UHFFFAOYSA-N 0 1 520.658 5.612 50 0 KKAAMN CCCCC[C@@H](C)N/C=C1/c2ccccc2C(=O)N(c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)C1=O ZINC000103004519 1070970715 /nfs/dbraw/zinc/97/07/15/1070970715.db2.gz ABWODJCACQJXQN-MLQDUXEUSA-N 0 1 547.677 5.582 50 0 KKAAMN COc1ccccc1NC=C1c2ccccc2C(=O)N(c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)C1=O ZINC000103005139 1070972011 /nfs/dbraw/zinc/97/20/11/1070972011.db2.gz XBXMPSUNFXUQAD-CLCOLTQESA-N 0 1 555.612 5.145 50 0 KKAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(-c2ccc(OC)cc2OC)n[nH]1 ZINC000888089224 1071058669 /nfs/dbraw/zinc/05/86/69/1071058669.db2.gz PJXHFJGGWYEHGO-AGIQITRISA-N 0 1 700.793 5.131 50 0 KKAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c(CCc2ccc(OC)c(OC)c2)n1 ZINC000888089853 1071062659 /nfs/dbraw/zinc/06/26/59/1071062659.db2.gz KYPPZUHEYJBGDV-NOSXFEKWSA-N 0 1 728.847 5.249 50 0 KKAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(CCc2ccc(OC)c(OC)c2)n[nH]1 ZINC000888089853 1071062673 /nfs/dbraw/zinc/06/26/73/1071062673.db2.gz KYPPZUHEYJBGDV-NOSXFEKWSA-N 0 1 728.847 5.249 50 0 KKAAMN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c(CCCc2c[nH]c3ccccc23)n1 ZINC000888089355 1071059908 /nfs/dbraw/zinc/05/99/08/1071059908.db2.gz XCNTVFJFDXIERL-UYFJFLLTSA-N 0 1 721.859 6.103 50 0 KKAAMN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(CCCc2c[nH]c3ccccc23)n[nH]1 ZINC000888089355 1071059920 /nfs/dbraw/zinc/05/99/20/1071059920.db2.gz XCNTVFJFDXIERL-UYFJFLLTSA-N 0 1 721.859 6.103 50 0 KKAAMN COc1ccc(NC(=O)/C=C\c2ccc3c(c2)OCO3)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000102993969 1071080668 /nfs/dbraw/zinc/08/06/68/1071080668.db2.gz RYTNFBDFVQWCGN-OQFOIZHKSA-N 0 1 521.378 5.183 50 0 KKAAMN CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(N4CCCCC4)c(S(=O)(=O)Nc4ccccc4OC)c3)C2=O)cc1 ZINC000150579954 1071174066 /nfs/dbraw/zinc/17/40/66/1071174066.db2.gz HXYBOJVIMHDHTK-BGABXYSRSA-N 0 1 680.783 6.303 50 0 KKAAMN O=[P@@](/C=C(/Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1ccc(OCc2ccccc2)cc1 ZINC000032693827 1071193359 /nfs/dbraw/zinc/19/33/59/1071193359.db2.gz VQZBKSXAVPFCBH-FJYRUYPUSA-N 0 1 520.396 9.430 50 0 KKAAMN FC(F)(F)c1ccc2c(c1)nc([C@H]1CCCO1)n2C1CCN(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000012242928 1071239898 /nfs/dbraw/zinc/23/98/98/1071239898.db2.gz AGKXJWZHQVNWDW-OAQYLSRUSA-N 0 1 507.940 6.126 50 0 KKAAMN COC(=O)C[C@H](c1ccc(-c2ccc(Cl)cc2Cl)o1)c1c(O)cc(C)n(CCc2cnc[nH]2)c1=O ZINC000604418995 1071274635 /nfs/dbraw/zinc/27/46/35/1071274635.db2.gz DKPCNFOJELPULY-GOSISDBHSA-N 0 1 516.381 5.090 50 0 KKAAMN CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1c1nc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccc5nc([C@@H]6[C@H]7CC[C@H](C7)N6C(=O)OC(C)(C)C)[nH]c5c4)ccc2-3)c[nH]1 ZINC000607716122 1071277221 /nfs/dbraw/zinc/27/72/21/1071277221.db2.gz ZVEBIERALJAHTN-PQMSPAIHSA-N 0 1 774.913 10.663 50 0 KKAAMN CC(N=Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-])c1ccc(OC(F)F)cc1 ZINC000254289543 1072843889 /nfs/dbraw/zinc/84/38/89/1072843889.db2.gz MKYXYUGIXCHYJF-UHFFFAOYSA-N 0 1 510.906 5.487 50 0 KKAAMN Cc1nn2c(nc(Cl)c3ccccc32)c1C=NNc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000254295788 1072844749 /nfs/dbraw/zinc/84/47/49/1072844749.db2.gz FCEPZSSZUSYWAN-UHFFFAOYSA-N 0 1 564.027 5.616 50 0 KKAAMN Cc1ccc(C(C)C)c(OCc2ccc(C(=O)NN=Cc3cc(Br)cc(Br)c3O)cc2)c1 ZINC000254500596 1072859769 /nfs/dbraw/zinc/85/97/69/1072859769.db2.gz XRHLMXUHJPPEEB-UHFFFAOYSA-N 0 1 560.286 6.692 50 0 KKAAMN Brc1ccc(-c2nc(-c3ccccc3)c(-c3ccc4oc5ccc(-c6nc(-c7ccc(Br)cc7)[nH]c6-c6ccccc6)cc5c4c3)[nH]2)cc1 ZINC000150464104 1072904201 /nfs/dbraw/zinc/90/42/01/1072904201.db2.gz RHUVGPMTGXARIH-UHFFFAOYSA-N 0 1 762.505 12.559 50 0 KKAAMN Brc1ccc(-c2nc(-c3ccc4oc5ccc(-c6nc(-c7ccc(Br)cc7)[nH]c6-c6ccccc6)cc5c4c3)c(-c3ccccc3)[nH]2)cc1 ZINC000150464104 1072904212 /nfs/dbraw/zinc/90/42/12/1072904212.db2.gz RHUVGPMTGXARIH-UHFFFAOYSA-N 0 1 762.505 12.559 50 0 KKAAMN Cc1nn(Cc2ccc(F)cc2)c(C)c1N(C(=S)Nc1ccc(C)cc1)[C@H]1CC(=O)N(c2ccccc2C)C1=O ZINC000000649198 551510729 /nfs/dbraw/zinc/51/07/29/551510729.db2.gz OHOSVEYGNXKQRD-MHZLTWQESA-N 0 1 555.679 5.840 50 0 KKAAMN Cc1nn(Cc2ccc(F)cc2)c(C)c1N(C(=S)Nc1ccc(C)cc1)C1CC(=O)N(c2ccccc2C)C1=O ZINC000000649198 551510732 /nfs/dbraw/zinc/51/07/32/551510732.db2.gz OHOSVEYGNXKQRD-MHZLTWQESA-N 0 1 555.679 5.840 50 0 KKAAMN O=C(Nc1ccc(Br)cc1)c1ccc(Br)c(S(=O)(=O)Nc2cccc(F)c2)c1 ZINC000000792974 551542662 /nfs/dbraw/zinc/54/26/62/551542662.db2.gz YRKLVZGTTNOYTF-UHFFFAOYSA-N 0 1 528.197 5.404 50 0 KKAAMN Cc1ccnc(NS(=O)(=O)c2ccc(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)cc2)n1 ZINC000001190408 551621873 /nfs/dbraw/zinc/62/18/73/551621873.db2.gz ZPIRIMISZCMRLC-UHFFFAOYSA-N 0 1 532.192 5.000 50 0 KKAAMN COc1ccc(OC)c(C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000001271178 551634978 /nfs/dbraw/zinc/63/49/78/551634978.db2.gz MUNOBNJSMWTBIM-JRLXJTRMSA-N 0 1 564.682 5.991 50 0 KKAAMN CCCN(CCC)Cc1c(OC(=O)c2ccc(C)cc2)ccc2c(=O)c(Oc3ccc(Cl)cc3)c(C(F)(F)F)oc21 ZINC000001785099 551698915 /nfs/dbraw/zinc/69/89/15/551698915.db2.gz GNNWYTBOSJTXCH-UHFFFAOYSA-N 0 1 588.022 8.407 50 0 KKAAMN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)c(C(=O)c3ccc(Cl)cc3)c2)cc1 ZINC000001897037 551728602 /nfs/dbraw/zinc/72/86/02/551728602.db2.gz UNIDWBZHXAHMEA-UHFFFAOYSA-N 0 1 573.885 7.239 50 0 KKAAMN O=C(c1ccccc1)c1ccc(-c2nc(-c3cccc(I)c3)[nH]c2-c2ccccc2)cc1 ZINC000002057909 551740274 /nfs/dbraw/zinc/74/02/74/551740274.db2.gz JIXUBHCSABPRJC-UHFFFAOYSA-N 0 1 526.377 7.246 50 0 KKAAMN O=C(Nc1ccccc1)[C@@H]1[C@H](C(=O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000002272944 551805320 /nfs/dbraw/zinc/80/53/20/551805320.db2.gz JAKBBRWOUVTXDQ-YGGCMVMVSA-N 0 1 546.026 5.952 50 0 KKAAMN COc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)CSc1nc(-c2ccc(C)cc2)n[nH]1 ZINC000002317867 551809241 /nfs/dbraw/zinc/80/92/41/551809241.db2.gz DLAUXSQRNHOSQP-UHFFFAOYSA-N 0 1 526.734 6.682 50 0 KKAAMN COC(=O)[C@@](NC(=O)c1ccc(Cl)cc1Cl)(Nc1nc2ccc(Cl)cc2s1)C(F)(F)F ZINC000002321780 552094406 /nfs/dbraw/zinc/09/44/06/552094406.db2.gz YDQRJSCKAYXCDN-QGZVFWFLSA-N 0 1 512.724 5.530 50 0 KKAAMN CCO[P@](=O)(c1c(F)c(F)c(F)c(F)c1F)[C@@H](NC1CCCCC1)c1ccc(Br)cc1 ZINC000002322151 552094416 /nfs/dbraw/zinc/09/44/16/552094416.db2.gz XQHVLQZUBRMASU-ROTAYESASA-N 0 1 526.280 6.706 50 0 KKAAMN COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000002399929 552111201 /nfs/dbraw/zinc/11/12/01/552111201.db2.gz AWTMRMZOPKALKI-NHKHRBQYSA-N 0 1 534.568 5.274 50 0 KKAAMN CCOc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000002436443 552118723 /nfs/dbraw/zinc/11/87/23/552118723.db2.gz GGQIYIJKIBHKIH-MHZLTWQESA-N 0 1 533.024 5.531 50 0 KKAAMN COc1ccc(C(O)=C2[C@@H](C(=O)c3ccc(Cl)cc3)N3c4ccc(C)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000002596774 552134725 /nfs/dbraw/zinc/13/47/25/552134725.db2.gz QXMRFAOQGSOMCQ-ZXFZPVEDSA-N 0 1 575.064 6.513 50 0 KKAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3cc(-c4ccccc4)nc4ccccc43)cc2)n1 ZINC000002800900 552194672 /nfs/dbraw/zinc/19/46/72/552194672.db2.gz AVVUZJICYCSPRV-UHFFFAOYSA-N 0 1 568.684 5.236 50 0 KKAAMN CCOc1cc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCN(C)C)ccc1OCc1ccccc1 ZINC000002853828 552201852 /nfs/dbraw/zinc/20/18/52/552201852.db2.gz QQPKHIVFSTZNRJ-HHHXNRCGSA-N 0 1 533.024 5.531 50 0 KKAAMN CC(C)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000003007223 552255282 /nfs/dbraw/zinc/25/52/82/552255282.db2.gz AEANCNZQPUDKIW-UHFFFAOYSA-N 0 1 566.774 5.828 50 0 KKAAMN CCOc1ccc2[nH]c(SCc3c(CSc4nc5ccc(OCC)cc5[nH]4)[n+]([O-])c4ccccc4[n+]3[O-])nc2c1 ZINC000003123676 552291372 /nfs/dbraw/zinc/29/13/72/552291372.db2.gz XTSOMBZWDDPGHU-UHFFFAOYSA-N 0 1 574.688 5.241 50 0 KKAAMN O=C(c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1)n1nc2c3c1cccc3C(=O)c1ccccc1-2 ZINC000003173068 552299509 /nfs/dbraw/zinc/29/95/09/552299509.db2.gz JTTSQDMCIOWNDS-UHFFFAOYSA-N 0 1 513.962 5.390 50 0 KKAAMN COc1cc(OC)c(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c2)cc1Cl ZINC000003229789 552314925 /nfs/dbraw/zinc/31/49/25/552314925.db2.gz QZUIVHHCRMZATI-UHFFFAOYSA-N 0 1 539.009 6.203 50 0 KKAAMN COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000003233140 552316022 /nfs/dbraw/zinc/31/60/22/552316022.db2.gz NFZRNFAUCYIGCU-UHFFFAOYSA-N 0 1 567.845 5.016 50 0 KKAAMN Cc1ccsc1C(=O)Nc1ccc(C)cc1S(=O)(=O)Nc1ccc(I)cc1 ZINC000003235382 552316529 /nfs/dbraw/zinc/31/65/29/552316529.db2.gz DSXXLXNLEAHADZ-UHFFFAOYSA-N 0 1 512.394 5.023 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2cc(-c3cccs3)nc3ccccc32)c(OC)c1 ZINC000003235328 552316577 /nfs/dbraw/zinc/31/65/77/552316577.db2.gz OENDEGWZNHJHIG-UHFFFAOYSA-N 0 1 545.642 6.034 50 0 KKAAMN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)OCC(=O)Nc3ccc(F)c(F)c3F)c(Cl)cc2Cl)cc1 ZINC000003303271 552347231 /nfs/dbraw/zinc/34/72/31/552347231.db2.gz KZNNWNHMRSWPKU-UHFFFAOYSA-N 0 1 577.364 5.406 50 0 KKAAMN COc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3cc(Cl)c(OC)cc3OC)ccc2Cl)cc1 ZINC000003312123 552352453 /nfs/dbraw/zinc/35/24/53/552352453.db2.gz YZPGECSLKDFYTF-UHFFFAOYSA-N 0 1 511.383 5.072 50 0 KKAAMN CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1 ZINC000003325738 552357050 /nfs/dbraw/zinc/35/70/50/552357050.db2.gz UVJRTNLUJZSICQ-LJQANCHMSA-N 0 1 551.665 5.236 50 0 KKAAMN CCOc1ccc(NC(=S)Nc2ccc(NS(=O)(=O)c3cc(Br)ccc3OCC)cc2)cc1 ZINC000003340770 552362750 /nfs/dbraw/zinc/36/27/50/552362750.db2.gz WQIUJZCACPAJIR-UHFFFAOYSA-N 0 1 550.500 5.856 50 0 KKAAMN CCN(CC)[C@@H](CNC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1)c1ccccc1Cl ZINC000003418976 552383309 /nfs/dbraw/zinc/38/33/09/552383309.db2.gz WBPKHBXLHPYZRJ-QFIPXVFZSA-N 0 1 501.483 6.515 50 0 KKAAMN CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(C)(C)C)N(C)Cc1ccc(C(C)(C)C)cc1 ZINC000003941150 552423106 /nfs/dbraw/zinc/42/31/06/552423106.db2.gz GCDHMGROXQUFNR-HEVIKAOCSA-N 0 1 599.860 7.052 50 0 in-vivo KKAAMN Cc1c2c(c(C)c(C)c1S(=O)(=O)NC(=[NH2+])NCCC[C@@H](CC(=O)[O-])NC(=O)OCC1c3ccccc3-c3ccccc31)OC(C)(C)C2 ZINC000004240241 552452360 /nfs/dbraw/zinc/45/23/60/552452360.db2.gz SPUZTADXOCHTJW-QHCPKHFHSA-N 0 1 662.809 5.290 50 0 KKAAMN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCCN2CCN(c3ccccc3)CC2)cc1 ZINC000004762037 552478474 /nfs/dbraw/zinc/47/84/74/552478474.db2.gz ARKGPKYZEJDRCS-HKBQPEDESA-N 0 1 615.800 5.027 50 0 KKAAMN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCCN2CCN(c3ccccc3)CC2)cc1 ZINC000004762055 552478590 /nfs/dbraw/zinc/47/85/90/552478590.db2.gz FSYBTXGFCLGCMS-LJAQVGFWSA-N 0 1 606.192 5.282 50 0 KKAAMN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCCN2CCN(c3ccccc3)CC2)cc1 ZINC000004762079 552478881 /nfs/dbraw/zinc/47/88/81/552478881.db2.gz AFOAFQMXIOXLEO-SSEXGKCCSA-N 0 1 617.841 5.350 50 0 KKAAMN CCCCc1ccc(NC=C2c3ccccc3C(=O)N(c3cccc(S(=O)(=O)Nc4ccccc4OC)c3)C2=O)cc1 ZINC000005940318 552513387 /nfs/dbraw/zinc/51/33/87/552513387.db2.gz RNNRYGGGPDLRTM-QUPMIFSKSA-N 0 1 581.694 6.479 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3cccc4c3CCCC4)C2=O)c1 ZINC000005941435 552514103 /nfs/dbraw/zinc/51/41/03/552514103.db2.gz LJTNOKAWZSPAJK-SGWCAAJKSA-N 0 1 579.678 6.015 50 0 KKAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=O)/C=C/c2ccc(C)o2)cc1 ZINC000006141959 552543386 /nfs/dbraw/zinc/54/33/86/552543386.db2.gz ZSCSEJLKFHZTEP-ACCUITESSA-N 0 1 505.390 5.202 50 0 KKAAMN CCOC(=O)c1sc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Br)cc2)cc1C ZINC000006146138 552547699 /nfs/dbraw/zinc/54/76/99/552547699.db2.gz VKXMNGMOHROQTM-UHFFFAOYSA-N 0 1 523.430 5.049 50 0 KKAAMN CCCN(CCC)Cc1c(OC(=O)c2ccc(OC)cc2)ccc2c(=O)c(Oc3ccc(C)c(C)c3)c(C(F)(F)F)oc21 ZINC000006166823 552556895 /nfs/dbraw/zinc/55/68/95/552556895.db2.gz JHAPTZYDDJBBJH-UHFFFAOYSA-N 0 1 597.630 8.071 50 0 KKAAMN CCCN(CCC)Cc1c(OC(=O)c2ccc(OC)cc2)ccc2c(=O)c(Oc3ccc(Cl)c(C)c3)c(C(F)(F)F)oc21 ZINC000006166831 552557174 /nfs/dbraw/zinc/55/71/74/552557174.db2.gz UDIRTOXKJRBYQK-UHFFFAOYSA-N 0 1 618.048 8.416 50 0 KKAAMN Cc1cc(C)cc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCCCSC4CCCCC4)c(=O)c3c2)c1 ZINC000006181532 552562688 /nfs/dbraw/zinc/56/26/88/552562688.db2.gz LELVZIFILHAZCD-UHFFFAOYSA-N 0 1 527.712 5.132 50 0 KKAAMN Nc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 ZINC000006229214 552571542 /nfs/dbraw/zinc/57/15/42/552571542.db2.gz KIUVQSZYSUAYGZ-UHFFFAOYSA-N 0 1 576.607 5.469 50 0 KKAAMN Nc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)sc2nc(-c3ccccc3)cc(C(F)(F)F)c12 ZINC000006229213 552571564 /nfs/dbraw/zinc/57/15/64/552571564.db2.gz DONUFLZBCQOACT-UHFFFAOYSA-N 0 1 570.578 5.407 50 0 KKAAMN CC(=O)N1N=C(c2ccc(NS(=O)(=O)c3cc(Br)ccc3Br)cc2)C[C@@H]1c1ccccc1Cl ZINC000008385789 552991275 /nfs/dbraw/zinc/99/12/75/552991275.db2.gz YEVVKYHQTHIYRX-JOCHJYFZSA-N 0 1 611.743 6.363 50 0 KKAAMN Cc1c(C(c2c(C)n(C)c3ccccc32)c2cc(I)c(O)c(I)c2)c2ccccc2n1C ZINC000008397954 552997944 /nfs/dbraw/zinc/99/79/44/552997944.db2.gz MJRBGUDDDRBCEA-UHFFFAOYSA-N 0 1 646.310 7.382 50 0 KKAAMN Cn1cc(C(c2cn(C)c3ccccc23)c2cc(I)c(O)c(I)c2)c2ccccc21 ZINC000008397985 552997978 /nfs/dbraw/zinc/99/79/78/552997978.db2.gz FMMBSWKDDYUKQS-UHFFFAOYSA-N 0 1 618.256 6.765 50 0 KKAAMN O=C1CC(=C(c2ccccc2)c2ccccc2)C(=O)N1CCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000008398990 553000305 /nfs/dbraw/zinc/00/03/05/553000305.db2.gz LLGZHXKYLRDRCB-UHFFFAOYSA-N 0 1 500.042 5.113 50 0 aggregator KKAAMN O=C1c2ccc(-c3nc(-c4ccccc4)[nH]c3-c3ccccc3)cc2-c2cc(-c3[nH]c(-c4ccccc4)nc3-c3ccccc3)ccc21 ZINC000008424705 553014022 /nfs/dbraw/zinc/01/40/22/553014022.db2.gz IMFOLKJZMYCCMF-UHFFFAOYSA-N 0 1 616.724 10.346 50 0 KKAAMN O=C1c2ccc(-c3nc(-c4ccccc4)[nH]c3-c3ccccc3)cc2-c2cc(-c3nc(-c4ccccc4)[nH]c3-c3ccccc3)ccc21 ZINC000008424705 553014024 /nfs/dbraw/zinc/01/40/24/553014024.db2.gz IMFOLKJZMYCCMF-UHFFFAOYSA-N 0 1 616.724 10.346 50 0 KKAAMN O=C(Nc1ccc(Br)cc1)c1ccccc1NS(=O)(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000008446434 553055599 /nfs/dbraw/zinc/05/55/99/553055599.db2.gz TZPFFNWHCRCCDR-UHFFFAOYSA-N 0 1 565.533 6.970 50 0 KKAAMN Cc1ccccc1Nc1cc(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)c2ccccc2n1 ZINC000008583514 553079783 /nfs/dbraw/zinc/07/97/83/553079783.db2.gz QEOOKQLPNSLSAJ-UHFFFAOYSA-N 0 1 514.073 5.882 50 0 aggregator KKAAMN COc1ccc(-n2ncc(C(=O)N3CCN(C4CCCCC4)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000008597488 553093002 /nfs/dbraw/zinc/09/30/02/553093002.db2.gz XMCLUQFRPCBTQF-UHFFFAOYSA-N 0 1 551.732 5.086 50 0 KKAAMN CCOc1ccc(CCNC(=O)C2CCN(Cc3nc(-c4ccc(OC)c(OC)c4)oc3C)CC2)cc1OCC ZINC000008597424 553093047 /nfs/dbraw/zinc/09/30/47/553093047.db2.gz LNSCHUPHLOYIPD-UHFFFAOYSA-N 0 1 551.684 5.036 50 0 KKAAMN CCc1ccc(-c2nc(CN3CCC[C@@H](C(=O)N4CCN(c5cc(Cl)ccc5C)CC4)C3)c(C)o2)cc1 ZINC000008597798 553094064 /nfs/dbraw/zinc/09/40/64/553094064.db2.gz IZGZWVVFFWOPDG-RUZDIDTESA-N 0 1 521.105 5.735 50 0 KKAAMN O=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1ccc(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000008648132 553106760 /nfs/dbraw/zinc/10/67/60/553106760.db2.gz PYRSVOPNTFHBCH-UHFFFAOYSA-N 0 1 549.929 5.695 50 0 KKAAMN O=C1NC(=O)[C@]2(Cc3cc(C(F)(F)F)ccc3N3CC[C@@H](c4ccccc4)C[C@H]32)C(=O)N1c1ccccc1 ZINC000008695436 553121712 /nfs/dbraw/zinc/12/17/12/553121712.db2.gz XLCHVKBGAJZNNR-DHIYETBGSA-N 0 1 519.523 6.124 50 0 KKAAMN COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2OC32CCN(Cc3ccccc3)CC2)cc1 ZINC000008717727 553129153 /nfs/dbraw/zinc/12/91/53/553129153.db2.gz YWMOMAQSONHXLU-SANMLTNESA-N 0 1 518.455 5.994 50 0 KKAAMN Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2OC32CCN(Cc3ccccc3)CC2)cc1 ZINC000008717726 553129168 /nfs/dbraw/zinc/12/91/68/553129168.db2.gz YJPOVLRMTGZEIO-AREMUKBSSA-N 0 1 502.456 6.293 50 0 KKAAMN COc1cccc2c1OC1(CCN(Cc3ccccc3)CC1)N1N=C(c3ccc(Br)cc3)C[C@H]21 ZINC000008816747 553152137 /nfs/dbraw/zinc/15/21/37/553152137.db2.gz MZOJXXWNQSEXTR-RUZDIDTESA-N 0 1 518.455 5.994 50 0 KKAAMN CCOc1ccc(C[C@@H]2c3cc(OCC)c(OCC)cc3CCN2C(=O)CN2CCCCC2)cc1OCC ZINC000008836992 553163478 /nfs/dbraw/zinc/16/34/78/553163478.db2.gz YRCVVYVOYFBEST-AREMUKBSSA-N 0 1 524.702 5.436 50 0 biogenic KKAAMN CC(C)N1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccc(C(C)(C)C)cc4)cc2)N3)C1 ZINC000008927613 553191778 /nfs/dbraw/zinc/19/17/78/553191778.db2.gz AJSIBJJWQSSBCN-VWLOTQADSA-N 0 1 503.668 6.460 50 0 KKAAMN CC(C)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccc(C(C)(C)C)cc4)cc2)N3)C1 ZINC000008927615 553192095 /nfs/dbraw/zinc/19/20/95/553192095.db2.gz AJSIBJJWQSSBCN-RUZDIDTESA-N 0 1 503.668 6.460 50 0 KKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(C)cc(C)c4O)c3[C@@H]2c2ccc(F)cc2)cc1OC ZINC000009123927 553212627 /nfs/dbraw/zinc/21/26/27/553212627.db2.gz VVULZDZIIGANFR-MHZLTWQESA-N 0 1 501.558 5.343 50 0 KKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(C)cc(C)c4O)c3[C@H]2c2ccccc2F)cc1OC ZINC000009124251 553212868 /nfs/dbraw/zinc/21/28/68/553212868.db2.gz UJZXDCMKFQACTI-HHHXNRCGSA-N 0 1 501.558 5.343 50 0 KKAAMN CCOc1ccc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000009124313 553212882 /nfs/dbraw/zinc/21/28/82/553212882.db2.gz AUKPYIPQMLGBNA-MHZLTWQESA-N 0 1 519.001 5.682 50 0 KKAAMN COc1ccc(Cc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)C4c2ccccc2)cc1 ZINC000009209548 553220265 /nfs/dbraw/zinc/22/02/65/553220265.db2.gz CZEFZEXTHRHHNF-SANMLTNESA-N 0 1 500.562 5.504 50 0 KKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N21 ZINC000009209732 553220545 /nfs/dbraw/zinc/22/05/45/553220545.db2.gz GKISSFMKIWYFDS-GFQWBHFJSA-N 0 1 517.412 5.864 50 0 KKAAMN CCOc1ccc([C@@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2Cc2cccnc2)cc1OC ZINC000009243116 553226850 /nfs/dbraw/zinc/22/68/50/553226850.db2.gz RAROXOAPCDECFB-AREMUKBSSA-N 0 1 504.974 5.292 50 0 KKAAMN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCCN2CCN(c3ccccc3)CC2)[C@H]1c1cccs1 ZINC000009407171 553256795 /nfs/dbraw/zinc/25/67/95/553256795.db2.gz VJTDEFHECFLXHS-FQLXRVMXSA-N 0 1 530.738 5.013 50 0 KKAAMN CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(OC)cc4)[C@@]3(c3ccccc3)C2=O)cc1 ZINC000009427982 553260163 /nfs/dbraw/zinc/26/01/63/553260163.db2.gz CSPMPBHDTIPGRZ-LYVYPOQBSA-N 0 1 520.585 5.467 50 0 KKAAMN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(OC)cc4)[C@@]3(c3ccccc3)C2=O)cc1 ZINC000009427982 553260165 /nfs/dbraw/zinc/26/01/65/553260165.db2.gz CSPMPBHDTIPGRZ-LYVYPOQBSA-N 0 1 520.585 5.467 50 0 KKAAMN COc1ccccc1C1c2c(C)nn(-c3ccccc3)c2Oc2ncn3nc(-c4ccccc4C)nc3c21 ZINC000009510479 553276244 /nfs/dbraw/zinc/27/62/44/553276244.db2.gz MBPOAKNZBVEKPK-VWLOTQADSA-N 0 1 500.562 5.888 50 0 KKAAMN Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)Nc1ccc2nc(-c3cccnc3)[nH]c2c1 ZINC000009609694 553287898 /nfs/dbraw/zinc/28/78/98/553287898.db2.gz PIHZFWOFHQYYBQ-UHFFFAOYSA-N 0 1 505.557 5.662 50 0 KKAAMN COc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2SCC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000009674231 553294974 /nfs/dbraw/zinc/29/49/74/553294974.db2.gz RKARSKSOIKEWHX-UHFFFAOYSA-N 0 1 507.999 5.908 50 0 KKAAMN c1ccc(COc2ccc(-c3nc(-c4ccc5sc6ccccc6c5c4)c(-c4ccccc4)[nH]3)cc2)cc1 ZINC000009779942 553307431 /nfs/dbraw/zinc/30/74/31/553307431.db2.gz QHSYGCHCOIAVOR-UHFFFAOYSA-N 0 1 508.646 9.358 50 0 KKAAMN COc1ccc(Br)cc1[C@@H]1C(C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)=C(C)Nc2ncnn21 ZINC000009942098 553319680 /nfs/dbraw/zinc/31/96/80/553319680.db2.gz RGEHWBRWIPURQI-UVLUGAHPSA-N 0 1 503.441 5.342 50 0 KKAAMN Cc1cccc(-c2nc3c4ccccc4nc(NCCCN4CCN(c5cccc(Cl)c5)CC4)n3n2)c1 ZINC000009968712 553321711 /nfs/dbraw/zinc/32/17/11/553321711.db2.gz AIKMYVXFYOOJHQ-UHFFFAOYSA-N 0 1 512.061 5.531 50 0 KKAAMN COc1ccc(Nc2ccc(NC(=O)c3ccccc3NS(=O)(=O)c3cc(C)ccc3C)cc2)cc1 ZINC000012498238 553382231 /nfs/dbraw/zinc/38/22/31/553382231.db2.gz MBEFXWWTIODCSK-UHFFFAOYSA-N 0 1 501.608 6.109 50 0 KKAAMN CCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)c(NS(=O)(=O)c2c(C)c(C)cc(C)c2C)c1 ZINC000012549399 553392696 /nfs/dbraw/zinc/39/26/96/553392696.db2.gz POFSRKRQQNCCRM-UHFFFAOYSA-N 0 1 516.685 5.544 50 0 KKAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)/C=C/c3ccc(Br)o3)ccc2Cl)cc1 ZINC000012559032 553393930 /nfs/dbraw/zinc/39/39/30/553393930.db2.gz YNEVVJJGDQOUHE-DHZHZOJOSA-N 0 1 511.781 5.157 50 0 KKAAMN COc1cc2c(cc1OC)C1=NC(=O)[C@H](Cc3ccccc3)N1C(SCc1ccc(C(F)(F)F)cc1)=N2 ZINC000012951555 553428743 /nfs/dbraw/zinc/42/87/43/553428743.db2.gz JMKAZMIKCUEQMI-NRFANRHFSA-N 0 1 525.552 5.857 50 0 KKAAMN COc1cc2nc(SCc3cccc(C(F)(F)F)c3)n3c(CC4CCCCC4)c(O)nc3c2cc1OC ZINC000012951505 553428750 /nfs/dbraw/zinc/42/87/50/553428750.db2.gz FLMHWSTZMSEUOO-NRFANRHFSA-N 0 1 531.600 6.585 50 0 KKAAMN Brc1ccc(N=[P@](c2ccccc2)([C@@H]2CCCC=C2N2CCOCC2)N2CCOCC2)cc1 ZINC000013301180 553457829 /nfs/dbraw/zinc/45/78/29/553457829.db2.gz BHWBEBOUVXNHCN-NYFMKLKXSA-N 0 1 530.447 5.623 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(OCC)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000013770381 553489364 /nfs/dbraw/zinc/48/93/64/553489364.db2.gz FHDYXOUHSLSYQA-NHKHRBQYSA-N 0 1 530.621 5.714 50 0 KKAAMN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(OCC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000013770381 553489367 /nfs/dbraw/zinc/48/93/67/553489367.db2.gz FHDYXOUHSLSYQA-NHKHRBQYSA-N 0 1 530.621 5.714 50 0 KKAAMN Cc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(S(=O)(=O)Nc3nccc(C)n3)cc1)C(C)(C)N2 ZINC000013774618 553489539 /nfs/dbraw/zinc/48/95/39/553489539.db2.gz NAENNMIDSTZPQT-QYQHSDTDSA-N 0 1 509.682 5.577 50 0 KKAAMN CCN1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4cccc5ccccc54)c(OC)c2)N3)C1 ZINC000015947151 553545167 /nfs/dbraw/zinc/54/51/67/553545167.db2.gz HGTFWVYNDIUXQM-SANMLTNESA-N 0 1 513.619 5.936 50 0 KKAAMN COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000015947044 553545200 /nfs/dbraw/zinc/54/52/00/553545200.db2.gz RAEGGGVRFWEYEI-QHCPKHFHSA-N 0 1 512.031 5.825 50 0 KKAAMN O=C(c1ccccc1F)[C@@H]1C(=C(O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000015999311 553549703 /nfs/dbraw/zinc/54/97/03/553549703.db2.gz JWRRNYZTZWGEFD-KCIBBDPESA-N 0 1 514.556 5.682 50 0 KKAAMN Cc1cccc(-n2[nH]c(Cc3ccccc3C)c(C=C3NC(=O)N(Cc4cccc(F)c4)C3=O)c2=O)c1C ZINC000016534148 553567552 /nfs/dbraw/zinc/56/75/52/553567552.db2.gz BWNMXRWKQQKXDT-QQXSKIMKSA-N 0 1 510.569 5.326 50 0 KKAAMN CCN(CC)CCN(C(=O)c1ccc(C(=O)c2ccccc2)cc1)c1nc2c(s1)c(OC)ccc2OC ZINC000017287572 553592059 /nfs/dbraw/zinc/59/20/59/553592059.db2.gz QMEDDAXNFCJCKR-UHFFFAOYSA-N 0 1 517.651 5.533 50 0 KKAAMN CCOc1ccc([C@@H]2N[C@@H](c3ccc(OCC)cc3)C3C(=O)C2[C@@H](c2ccc(OCC)cc2)N[C@@H]3c2ccc(OCC)cc2)cc1 ZINC000068582916 553592082 /nfs/dbraw/zinc/59/20/82/553592082.db2.gz KEVVQDVLUNYZPF-VEUXQKSVSA-N 0 1 620.790 7.554 50 0 KKAAMN CCOc1ccc(OCC)c(S(=O)(=O)Nc2ccc(Nc3nc(C)cc(N4CCCCC4)n3)cc2)c1 ZINC000017307268 553593154 /nfs/dbraw/zinc/59/31/54/553593154.db2.gz JNWIAXPWLCHWAH-UHFFFAOYSA-N 0 1 511.648 5.117 50 0 KKAAMN CCOC(=O)/C=C(\CSc1nc2ccccc2s1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020169631 553601926 /nfs/dbraw/zinc/60/19/26/553601926.db2.gz BDKYCZSCFKLOND-NJNXFGOHSA-N 0 1 529.731 6.243 50 0 KKAAMN CCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(CC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000018044101 553602239 /nfs/dbraw/zinc/60/22/39/553602239.db2.gz ZHNFUFCFIZKELK-IARZGTGTSA-N 0 1 500.595 5.488 50 0 KKAAMN CCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000018141690 553606014 /nfs/dbraw/zinc/60/60/14/553606014.db2.gz WESRLCLWSYRRLZ-NXCFDTQHSA-N 0 1 506.986 5.579 50 0 KKAAMN CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCCN3[C@@]3(c4cc(CC)ccc4NC3=O)[C@]23c2ccccc2NC3=O)c1 ZINC000070700046 553617677 /nfs/dbraw/zinc/61/76/77/553617677.db2.gz CRERHORROZTATG-RQGZQSEYSA-N 0 1 535.644 5.052 50 0 biogenic KKAAMN Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2cc3c(s2)c2ccccc2nc3Cl)CC1 ZINC000020286246 553632175 /nfs/dbraw/zinc/63/21/75/553632175.db2.gz TWTNLYDIMOFDPL-UHFFFAOYSA-N 0 1 513.494 6.007 50 0 KKAAMN O=c1cc(CSc2nc3ccccc3s2)nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[nH]1 ZINC000019913799 553633564 /nfs/dbraw/zinc/63/35/64/553633564.db2.gz IKCJXQSTJQCNNR-UHFFFAOYSA-N 0 1 525.703 5.584 50 0 KKAAMN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@@H](c1cccc(OCc3cccc4ccccc43)c1)CC(=O)N2 ZINC000072402895 553651686 /nfs/dbraw/zinc/65/16/86/553651686.db2.gz XZYFWLUDPPQBGK-HSZRJFAPSA-N 0 1 501.550 5.703 50 0 KKAAMN COc1cc(NC(=O)Nc2ccc(N3CCCN(Cc4cccc(C(F)(F)F)c4)CC3)nc2)cc(OC)c1 ZINC000096281051 553737122 /nfs/dbraw/zinc/73/71/22/553737122.db2.gz SRMFYIIEZVCGJX-UHFFFAOYSA-N 0 1 529.563 5.474 50 0 KKAAMN Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H](N5CCN([C@@H]6CCc7ccccc7C6)CC5)C4=O)cc3)sc2c1 ZINC000022790025 553750274 /nfs/dbraw/zinc/75/02/74/553750274.db2.gz DCQOJPJDONNMCF-IXCJQBJRSA-N 0 1 536.701 5.079 50 0 KKAAMN COCCn1c(Cc2ccccc2)nn(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1=S ZINC000022918431 553766790 /nfs/dbraw/zinc/76/67/90/553766790.db2.gz MURBURRGIKEMON-UHFFFAOYSA-N 0 1 513.711 5.016 50 0 KKAAMN Cc1[nH]c2ccccc2c1[C@H](c1cccnc1)N1CCN([C@H](c2c(C)[nH]c3ccccc32)c2cccnc2)CC1 ZINC000022917902 553766804 /nfs/dbraw/zinc/76/68/04/553766804.db2.gz XHWYPQPWPCTFKL-HEVIKAOCSA-N 0 1 526.688 6.553 50 0 KKAAMN Cc1[nH]c2ccccc2c1[C@@H](c1cccnc1)N1CCN([C@@H](c2c(C)[nH]c3ccccc32)c2cccnc2)CC1 ZINC000022917911 553766905 /nfs/dbraw/zinc/76/69/05/553766905.db2.gz XHWYPQPWPCTFKL-KKLWWLSJSA-N 0 1 526.688 6.553 50 0 KKAAMN COc1ccc(C(NCCOCCOCCOCCOCCC(=O)Oc2c(F)c(F)cc(F)c2F)(c2ccccc2)c2ccccc2)cc1 ZINC000097945829 553774956 /nfs/dbraw/zinc/77/49/56/553774956.db2.gz HCBIEOJWJCOTKK-UHFFFAOYSA-N 0 1 685.711 6.195 50 0 KKAAMN CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CCN(Cc3ccccc3)C[C@@H]12 ZINC000025184571 553805816 /nfs/dbraw/zinc/80/58/16/553805816.db2.gz SAVSFDPMZIGHSU-IAPPQJPRSA-N 0 1 515.455 5.105 50 0 KKAAMN Brc1ccc2c(c1)[C@H]1CC(c3ccc4c(c3)OCO4)=NN1C1(CCN(Cc3ccccc3)CC1)O2 ZINC000097951452 553809015 /nfs/dbraw/zinc/80/90/15/553809015.db2.gz XGKHKSJTWOVSSY-XMMPIXPASA-N 0 1 532.438 5.714 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccccc5O)nc4c32)cc1OC ZINC000097954517 553823844 /nfs/dbraw/zinc/82/38/44/553823844.db2.gz SOGRTMIEXWGQDN-RUZDIDTESA-N 0 1 532.560 5.294 50 0 KKAAMN Cc1ccc(C(=O)Oc2ccc3c(c2OC(=O)c2ccc(C)cc2)-c2cccc4c2[C@@H](C3)N(C)CC4)cc1 ZINC000027472964 553825981 /nfs/dbraw/zinc/82/59/81/553825981.db2.gz MPXVMWCGUBXTFN-HHHXNRCGSA-N 0 1 503.598 6.494 50 0 biogenic KKAAMN CCOC(=O)c1c(NC(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)sc2c1CC(C)(C)OC2 ZINC000097954851 553825944 /nfs/dbraw/zinc/82/59/44/553825944.db2.gz MQPZMRZFDIDGCT-UHFFFAOYSA-N 0 1 547.721 5.122 50 0 KKAAMN COc1cc(Br)c(S(=O)(=O)Nc2cc(OC)c(OC)cc2Cc2nccc3cc(OC)c(OC)cc32)cc1OC ZINC000097955832 553834153 /nfs/dbraw/zinc/83/41/53/553834153.db2.gz RMUQWHFLOPMHFY-UHFFFAOYSA-N 0 1 633.517 5.441 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4cccc(Cl)c4)c3Oc3ncn4nc(-c5cccnc5)nc4c32)cc1 ZINC000097956637 553840467 /nfs/dbraw/zinc/84/04/67/553840467.db2.gz SXTXRGPEYARYOY-QHCPKHFHSA-N 0 1 521.968 5.628 50 0 KKAAMN COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5cc(I)c(O)c(I)c5)c(=O)n42)c2ccccc2CC3)c1 ZINC000097962529 553884133 /nfs/dbraw/zinc/88/41/33/553884133.db2.gz UHUZCDBUBAWGAK-ITIZVALFSA-N 0 1 718.354 5.242 50 0 KKAAMN CC(C)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963430 553890192 /nfs/dbraw/zinc/89/01/92/553890192.db2.gz INBUEUSYEPYDCJ-HXUWFJFHSA-N 0 1 594.828 6.464 50 0 KKAAMN CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCCN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000033357115 553946701 /nfs/dbraw/zinc/94/67/01/553946701.db2.gz NVKURPARSUEINQ-PMERELPUSA-N 0 1 663.841 5.268 50 0 KKAAMN CCOc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)cc2Br)cc1 ZINC000033358404 553955547 /nfs/dbraw/zinc/95/55/47/553955547.db2.gz XDXOKJKXFIZXMB-DHIUTWEWSA-N 0 1 643.148 7.523 50 0 KKAAMN Cc1ccc(F)cc1N1C(=O)C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@H]1c1cccs1 ZINC000033358457 553955765 /nfs/dbraw/zinc/95/57/65/553955765.db2.gz DXZCKFRLARVMDL-MOPGFXCFSA-N 0 1 544.218 6.562 50 0 KKAAMN O=C1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@H](c2ccc(F)cc2)N1c1cccc(C(F)(F)F)c1 ZINC000033358476 553956196 /nfs/dbraw/zinc/95/61/96/553956196.db2.gz XKLZKSYQADFTLJ-PMACEKPBSA-N 0 1 592.159 7.211 50 0 KKAAMN Cc1cc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2cccc(Br)c2)ccc1Br ZINC000033358504 553956332 /nfs/dbraw/zinc/95/63/32/553956332.db2.gz VCCPIHYKOUXRRC-SFTDATJTSA-N 0 1 677.991 7.886 50 0 KKAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2cccc(Br)c2)cc1Cl ZINC000033358499 553956347 /nfs/dbraw/zinc/95/63/47/553956347.db2.gz OFCLAKDNFAJCDX-NHCUHLMSSA-N 0 1 633.540 7.777 50 0 KKAAMN O=C(Nc1ccc(N2CCCN(Cc3cccc(C(F)(F)F)c3)CC2)nc1)c1cccc(C(F)(F)F)c1 ZINC000034681770 553985135 /nfs/dbraw/zinc/98/51/35/553985135.db2.gz IMLYHHJYGHPXBH-UHFFFAOYSA-N 0 1 522.493 6.084 50 0 KKAAMN COc1ccccc1C(=O)N(c1ccc(F)cc1)C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000034682675 553985450 /nfs/dbraw/zinc/98/54/50/553985450.db2.gz GFBPLQPSZJXVKI-UHFFFAOYSA-N 0 1 510.609 6.938 50 0 KKAAMN COc1cccc(CN2CCCN(c3ccc(C)cc3NS(=O)(=O)c3cccc(Cl)c3)C2=O)c1 ZINC000034737771 553998524 /nfs/dbraw/zinc/99/85/24/553998524.db2.gz KMCALZKPLOREKM-UHFFFAOYSA-N 0 1 500.020 5.290 50 0 KKAAMN Cc1ccc(N2CCCN(Cc3ccc(Cl)c(Cl)c3)C2=O)c(NS(=O)(=O)c2ccccc2)c1 ZINC000034737796 553998563 /nfs/dbraw/zinc/99/85/63/553998563.db2.gz JAAUGRIYDAPZFV-UHFFFAOYSA-N 0 1 504.439 5.935 50 0 KKAAMN O=[P@](/C=C(/Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)NC[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000097983674 554010978 /nfs/dbraw/zinc/01/09/78/554010978.db2.gz OLMVWPJYHIXGHM-ZWFRHOQHSA-N 0 1 545.422 7.542 50 0 KKAAMN Cc1ccccc1[C@@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000034830438 554015731 /nfs/dbraw/zinc/01/57/31/554015731.db2.gz NDXPHCQJFPTDEB-MWZYUOISSA-N 0 1 527.734 5.257 50 0 KKAAMN CCc1ccc(NC(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000034830595 554016460 /nfs/dbraw/zinc/01/64/60/554016460.db2.gz DCQJUZJAQYDLIF-PBBNMVCDSA-N 0 1 534.701 5.552 50 0 KKAAMN CC[C@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)Nc1cccc(Cl)c1 ZINC000034832177 554017991 /nfs/dbraw/zinc/01/79/91/554017991.db2.gz XKBRYSUDWTUQMZ-FQEVSTJZSA-N 0 1 527.088 5.948 50 0 KKAAMN COCCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(C)CC1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000034834562 554018955 /nfs/dbraw/zinc/01/89/55/554018955.db2.gz SFMHTABPXYNIAO-UHFFFAOYSA-N 0 1 535.708 5.048 50 0 KKAAMN CCc1nn(-c2ccc(F)cc2)c(N2CCN(C(C)C)CC2)c1CN(CC(C)C)C(=O)NC(C)(C)C ZINC000034835763 554019968 /nfs/dbraw/zinc/01/99/68/554019968.db2.gz VNQWNAHAUFFEMQ-UHFFFAOYSA-N 0 1 500.707 5.070 50 0 KKAAMN CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000034835526 554019996 /nfs/dbraw/zinc/01/99/96/554019996.db2.gz JTGGYEYMFIMJQZ-UHFFFAOYSA-N 0 1 519.709 5.812 50 0 KKAAMN CCCN(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)Nc1cccc(Cl)c1 ZINC000034835800 554020272 /nfs/dbraw/zinc/02/02/72/554020272.db2.gz UJDJHTRLXGBZNM-UHFFFAOYSA-N 0 1 513.061 5.559 50 0 KKAAMN CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(C(C)C)CC1)C(=O)Nc1cccc(OC)c1 ZINC000034835781 554020368 /nfs/dbraw/zinc/02/03/68/554020368.db2.gz UGCBMEYFQWRIJA-UHFFFAOYSA-N 0 1 536.696 5.557 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000034896299 554023607 /nfs/dbraw/zinc/02/36/07/554023607.db2.gz APQGGCINDKCRQR-NIWNGRQCSA-N 0 1 525.048 6.237 50 0 KKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3c4ccccc4ccc3N21 ZINC000035074068 554034165 /nfs/dbraw/zinc/03/41/65/554034165.db2.gz PYVLFAANCGCNQE-NGAUBYBASA-N 0 1 502.545 5.541 50 0 KKAAMN COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cccc(OCc3ccccc3)c2)c1 ZINC000097995647 554036429 /nfs/dbraw/zinc/03/64/29/554036429.db2.gz KEKJXQLGRLZFPU-UHFFFAOYSA-N 0 1 535.644 5.627 50 0 KKAAMN COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cc(Cl)cc(Cl)c2OC)c1 ZINC000097995649 554036474 /nfs/dbraw/zinc/03/64/74/554036474.db2.gz WGYIZKQIVUNKLF-UHFFFAOYSA-N 0 1 528.436 5.363 50 0 KKAAMN O=C(Nc1ccc(Cl)c(C(=O)c2ccc(Cl)cc2)c1)c1cc(Br)ccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000097996982 554039231 /nfs/dbraw/zinc/03/92/31/554039231.db2.gz JJIIHYIEFXZVBF-UHFFFAOYSA-N 0 1 638.754 7.693 50 0 KKAAMN Cc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccc(C)cc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000035302174 554042830 /nfs/dbraw/zinc/04/28/30/554042830.db2.gz ZZWIRYBYBNQXSK-IEMSDXTESA-N 0 1 524.620 6.160 50 0 KKAAMN Cc1ccc(N2C(=O)[C@@H](C)S[C@@]23c2ccccc2N(CN2CCN(C(c4ccccc4)c4ccccc4)CC2)C3=O)cc1Cl ZINC000098003538 554054755 /nfs/dbraw/zinc/05/47/55/554054755.db2.gz QIOMEZZNUTWCQZ-SXZDHJFLSA-N 0 1 623.222 6.681 50 0 KKAAMN Cc1ccc(NC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)c(C(=O)NC3CCCCC3)c2)cc1 ZINC000035707379 554065253 /nfs/dbraw/zinc/06/52/53/554065253.db2.gz YRMRYHTXKGVBNI-UHFFFAOYSA-N 0 1 525.697 6.024 50 0 KKAAMN CCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COCC(C)C ZINC000035842584 554080866 /nfs/dbraw/zinc/08/08/66/554080866.db2.gz BEPRMVVJKLGBJD-LJAQVGFWSA-N 0 1 535.773 5.782 50 0 KKAAMN CC(C)COC[C@@H](O)CN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C(C)C ZINC000035842651 554081351 /nfs/dbraw/zinc/08/13/51/554081351.db2.gz JQNMNKUASMFAQB-LJAQVGFWSA-N 0 1 535.773 5.781 50 0 KKAAMN CC[C@@H](O)CN(CCCOC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1 ZINC000035842609 554081366 /nfs/dbraw/zinc/08/13/66/554081366.db2.gz MJACKRSEKSYCSY-HHHXNRCGSA-N 0 1 507.719 5.146 50 0 KKAAMN CC(=O)[C@@H]1[C@H](C(=O)c2ccc(CC(C)C)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000035889674 554089731 /nfs/dbraw/zinc/08/97/31/554089731.db2.gz PMAFBANPUHTOCE-OGQOOFKISA-N 0 1 525.048 6.101 50 0 KKAAMN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CCN2CCCCC2)C(=O)Nc2cccc(F)c2)s1 ZINC000098019475 554112368 /nfs/dbraw/zinc/11/23/68/554112368.db2.gz AFODKPRJEUZMQP-UHFFFAOYSA-N 0 1 540.680 5.884 50 0 KKAAMN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CCN2CCCCC2)C(=O)c2ccc(C)cc2)cc1OC ZINC000098019826 554114708 /nfs/dbraw/zinc/11/47/08/554114708.db2.gz ZKHXXNSGUCYTKG-UHFFFAOYSA-N 0 1 561.723 5.113 50 0 KKAAMN COc1cccc(CN(CC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccc(Cl)c(Cl)c2)CC(C)C)c1 ZINC000098020075 554116555 /nfs/dbraw/zinc/11/65/55/554116555.db2.gz RYVXWXSFLNBXEQ-UHFFFAOYSA-N 0 1 552.546 7.213 50 0 KKAAMN CCN1CCN(c2cc(C(C)(C)C)nc(SCc3ccc(C(=O)N(C)Cc4ccccc4)o3)n2)CC1 ZINC000036029936 554142144 /nfs/dbraw/zinc/14/21/44/554142144.db2.gz GTRNTZVEQZBQRT-UHFFFAOYSA-N 0 1 507.704 5.074 50 0 KKAAMN COc1cc([C@@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2Cc2cccnc2)cc(Br)c1O ZINC000098046957 554145564 /nfs/dbraw/zinc/14/55/64/554145564.db2.gz PNZVLQHXMXCNAD-HSZRJFAPSA-N 0 1 535.398 5.016 50 0 KKAAMN CCN1CCN(c2cc(-c3ccccc3)nc(SCc3ccc(C(=O)NCc4ccco4)cc3)n2)CC1 ZINC000036038580 554146769 /nfs/dbraw/zinc/14/67/69/554146769.db2.gz BPQWZGODPHRVJX-UHFFFAOYSA-N 0 1 513.667 5.101 50 0 KKAAMN CCN1CCN(c2cc(-c3ccccc3)nc(SCc3cccc(C(=O)NCc4ccccc4)c3)n2)CC1 ZINC000036038652 554146882 /nfs/dbraw/zinc/14/68/82/554146882.db2.gz ZNDUHTLYNJGJSG-UHFFFAOYSA-N 0 1 523.706 5.508 50 0 KKAAMN Cc1cc(N2CCN(CCOc3cccc4ccccc43)CC2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 ZINC000098048091 554159496 /nfs/dbraw/zinc/15/94/96/554159496.db2.gz ZZAAAJNEKJCYOY-UHFFFAOYSA-N 0 1 531.582 6.078 50 0 KKAAMN CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC[C@@H](O)CN3CCN(c4ccc(C)cc4)CC3)cc21 ZINC000098048148 554159792 /nfs/dbraw/zinc/15/97/92/554159792.db2.gz ZFNNOETYDZOEEA-NDEPHWFRSA-N 0 1 541.692 5.045 50 0 KKAAMN CCCCOc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(OC)c(Cl)c2)cc1 ZINC000098049888 554169770 /nfs/dbraw/zinc/16/97/70/554169770.db2.gz HHENJCLBKRTFDY-LOSJGSFVSA-N 0 1 642.750 7.894 50 0 KKAAMN COc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Br)cc2)cc1Br ZINC000098049921 554170179 /nfs/dbraw/zinc/17/01/79/554170179.db2.gz GEMVVVLDOWXGAJ-RTWAWAEBSA-N 0 1 693.990 7.587 50 0 KKAAMN COc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Cl)c(Cl)c2)cc1Br ZINC000098049989 554170746 /nfs/dbraw/zinc/17/07/46/554170746.db2.gz SNDUCWALXFLQLY-NHCUHLMSSA-N 0 1 683.984 8.131 50 0 KKAAMN COc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Cl)c(Cl)c2)cc1Br ZINC000098049988 554170792 /nfs/dbraw/zinc/17/07/92/554170792.db2.gz SNDUCWALXFLQLY-SFTDATJTSA-N 0 1 683.984 8.131 50 0 KKAAMN CCOc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Cl)c(Cl)c2)cc1 ZINC000098050028 554171383 /nfs/dbraw/zinc/17/13/83/554171383.db2.gz KGQBYAKAXUZSSY-VXKWHMMOSA-N 0 1 619.115 7.758 50 0 KKAAMN CCCCOc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 ZINC000098050079 554171690 /nfs/dbraw/zinc/17/16/90/554171690.db2.gz WEZDLSMAFJPYQK-RPBOFIJWSA-N 0 1 626.751 8.194 50 0 KKAAMN COc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2cccs2)cc1Cl ZINC000098050155 554172618 /nfs/dbraw/zinc/17/26/18/554172618.db2.gz JACDAKAZFAWVCW-RBUKOAKNSA-N 0 1 576.672 6.776 50 0 KKAAMN O=C1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@@H](c2cccs2)N1c1cc(Cl)cc(Cl)c1 ZINC000098050158 554172636 /nfs/dbraw/zinc/17/26/36/554172636.db2.gz KLZQBVRCDCZZRA-MSOLQXFVSA-N 0 1 581.091 7.421 50 0 KKAAMN Cc1ccc(C)c(CN2c3cc(C(=O)NCCN4CCCC[C@@H]4C)ccc3[S@](=O)c3ccccc3C2=O)c1 ZINC000036091457 554177648 /nfs/dbraw/zinc/17/76/48/554177648.db2.gz QRYDFPQVLUNFAK-FPOUCGFGSA-N 0 1 529.706 5.235 50 0 KKAAMN Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(OCc2ccc(C)cc2)cc1 ZINC000100063151 554199271 /nfs/dbraw/zinc/19/92/71/554199271.db2.gz SAZIPHDGOCJCJK-UHFFFAOYSA-N 0 1 556.666 7.154 50 0 KKAAMN COc1ccccc1Oc1c(CN(C[C@H](O)COCc2ccccc2)CC2CC2)c(C)nn1-c1ccccc1 ZINC000036302269 554212380 /nfs/dbraw/zinc/21/23/80/554212380.db2.gz LOYLZFDKLVZFJM-NDEPHWFRSA-N 0 1 527.665 5.771 50 0 KKAAMN Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1CN(C[C@@H](O)COCc1ccccc1)CC1CC1 ZINC000036303576 554213696 /nfs/dbraw/zinc/21/36/96/554213696.db2.gz RISILECNKILUOF-HHHXNRCGSA-N 0 1 532.084 6.416 50 0 KKAAMN CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@H](O)COCc1ccccc1 ZINC000036308863 554216593 /nfs/dbraw/zinc/21/65/93/554216593.db2.gz JUYMECFYFTYQJZ-WNJJXGMVSA-N 0 1 536.738 5.276 50 0 KKAAMN O=C(CN1CCC(Cc2ccccc2)CC1)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccc(Cl)cc1 ZINC000036341097 554220643 /nfs/dbraw/zinc/22/06/43/554220643.db2.gz ZVBQTKIZPAROQD-MUUNZHRXSA-N 0 1 506.477 6.626 50 0 KKAAMN CCOc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000036344136 554222649 /nfs/dbraw/zinc/22/26/49/554222649.db2.gz BKJQKUVNNJCITO-YTTGMZPUSA-N 0 1 509.694 6.335 50 0 KKAAMN CCOc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000036344137 554222743 /nfs/dbraw/zinc/22/27/43/554222743.db2.gz BKJQKUVNNJCITO-JGCGQSQUSA-N 0 1 509.694 6.335 50 0 KKAAMN COc1ccc(-c2nc3c(s2)C[N@H+]([C@H](C(=O)[O-])c2c[nH]c4cc(NC(=O)C(C)C)ccc42)CC3)cc1 ZINC000036358849 554223999 /nfs/dbraw/zinc/22/39/99/554223999.db2.gz WPWMAIMICNJEOG-DEOSSOPVSA-N 0 1 504.612 5.079 50 0 KKAAMN CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc43)c(NC3CCOCC3)c2)CC1 ZINC000043204146 554298190 /nfs/dbraw/zinc/29/81/90/554298190.db2.gz HAYYBYPASCDWEQ-UHFFFAOYSA-N 0 1 560.649 5.027 50 0 investigational KKAAMN O=C(c1nc2ccccc2[nH]1)N1CCC(Oc2ccc(CN3CCN(c4cccc(Cl)c4)CC3)cc2)CC1 ZINC000053536645 554348812 /nfs/dbraw/zinc/34/88/12/554348812.db2.gz QIIBCYDEITXDSI-UHFFFAOYSA-N 0 1 530.072 5.222 50 0 KKAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cccc(OC(C)C)c2)c1 ZINC000057223020 554353179 /nfs/dbraw/zinc/35/31/79/554353179.db2.gz ZECGYJNKKBZHHN-UHFFFAOYSA-N 0 1 501.627 5.225 50 0 KKAAMN O=C(CSc1nc2cc(Oc3ccc4nc(SCC(=O)Nc5nccs5)[nH]c4c3)ccc2[nH]1)Nc1nccs1 ZINC000059222170 554385858 /nfs/dbraw/zinc/38/58/58/554385858.db2.gz AMWBYLNJWZKERN-UHFFFAOYSA-N 0 1 594.729 5.606 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(C(C)=O)cc1 ZINC000100426416 554388149 /nfs/dbraw/zinc/38/81/49/554388149.db2.gz NIIKRXHJDUPPDL-IJAHGLKVSA-N 0 1 566.698 8.037 50 0 KKAAMN CC(=O)Oc1cccc([C@H]2C3=C(C[C@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(C)=O)c1 ZINC000100426864 554389122 /nfs/dbraw/zinc/38/91/22/554389122.db2.gz VHCWFEBLOFHDDQ-LGGPFLRQSA-N 0 1 500.982 6.835 50 0 KKAAMN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccc(C)cc4N(C(=O)c4ccccc4)[C@@H]3c3cccs3)C2)cc1 ZINC000100427091 554389506 /nfs/dbraw/zinc/38/95/06/554389506.db2.gz AVKCOSGZKRRSDZ-GTYOFVGBSA-N 0 1 520.654 7.929 50 0 KKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N(C(=O)c2ccccc2)[C@@H]3c2ccc(F)cc2)cc1 ZINC000100427169 554389571 /nfs/dbraw/zinc/38/95/71/554389571.db2.gz BGJHSRMPWFGFNK-OGVWKLGRSA-N 0 1 532.615 8.007 50 0 KKAAMN COc1ccc([C@H]2C3=C(C[C@H](c4ccc(OC)c(OC)c4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000100429533 554390508 /nfs/dbraw/zinc/39/05/08/554390508.db2.gz RVIQRGRUYCGPCN-XDCSYDRFSA-N 0 1 560.650 7.576 50 0 KKAAMN O=C1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@H](c2ccc(F)cc2)N1c1cc(Cl)cc(Cl)c1 ZINC000100582827 554425416 /nfs/dbraw/zinc/42/54/16/554425416.db2.gz HFNQXHHBUZYJMT-PMACEKPBSA-N 0 1 593.052 7.499 50 0 KKAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2ccc(F)cc2)cc1F ZINC000100584274 554425798 /nfs/dbraw/zinc/42/57/98/554425798.db2.gz COXXCZRDUJMZMP-RTWAWAEBSA-N 0 1 556.179 6.640 50 0 KKAAMN Cc1c(Cl)cccc1N1C(=O)C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@@H]1c1ccc(F)cc1 ZINC000100584479 554426147 /nfs/dbraw/zinc/42/61/47/554426147.db2.gz IDPFROTYIUTFLJ-LEWJYISDSA-N 0 1 572.634 7.154 50 0 KKAAMN Cc1cc(Cl)ccc1N1C(=O)C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@H]1c1cccc(F)c1 ZINC000100585837 554426373 /nfs/dbraw/zinc/42/63/73/554426373.db2.gz PJBVBEQPKMVHRU-NHCUHLMSSA-N 0 1 572.634 7.154 50 0 KKAAMN O=C1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@H](c2cccc(F)c2)N1c1ccc(Cl)c(Cl)c1 ZINC000100585896 554426425 /nfs/dbraw/zinc/42/64/25/554426425.db2.gz BCNITSJOQAHEJF-VQTJNVASSA-N 0 1 593.052 7.499 50 0 KKAAMN CCc1cccc2c1NC(=O)[C@@]21N2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000059785527 554430308 /nfs/dbraw/zinc/43/03/08/554430308.db2.gz QYQDPBFSISDNBS-GHQHKEJXSA-N 0 1 527.624 5.417 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(C(=O)OC)cc1 ZINC000100750469 554466223 /nfs/dbraw/zinc/46/62/23/554466223.db2.gz ZVYPWJUQUIOWIS-QCBOHVIISA-N 0 1 582.697 7.621 50 0 biogenic KKAAMN CCOc1ccc([C@@H]2C(S(=O)(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000064557941 554511794 /nfs/dbraw/zinc/51/17/94/554511794.db2.gz SVHPVYCZZKWVAJ-OAQYLSRUSA-N 0 1 514.397 5.179 50 0 KKAAMN COc1ccc2cc3cc(C(=O)NCC4CCN(Cc5ccc(Cl)cc5)CC4)sc3nc2c1Cl ZINC000065330825 554526259 /nfs/dbraw/zinc/52/62/59/554526259.db2.gz ORHWDYXPEIBQDE-UHFFFAOYSA-N 0 1 514.478 6.407 50 0 KKAAMN Cc1ccc(/C=C2\CN(C)CC3=C2N=C2SC=C(c4ccc5c(c4)OCCO5)N2[C@@H]3c2ccc(C)cc2)cc1 ZINC000100951630 554537553 /nfs/dbraw/zinc/53/75/53/554537553.db2.gz ZJZDVLOZDBWHTP-PFYDVMEUSA-N 0 1 533.697 6.816 50 0 KKAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Nc2nc(C)cc(Nc3ccccc3)n2)cc1 ZINC000100957583 554540446 /nfs/dbraw/zinc/54/04/46/554540446.db2.gz XWOOBEDRCJQVRP-UHFFFAOYSA-N 0 1 554.470 6.234 50 0 KKAAMN CCOc1ccc(OCC)c(S(=O)(=O)Nc2ccc(Nc3nc(C)cc(Nc4ccc(OC)cc4)n3)cc2)c1 ZINC000100957662 554540635 /nfs/dbraw/zinc/54/06/35/554540635.db2.gz JBNRNGGYKIPROI-UHFFFAOYSA-N 0 1 549.653 5.879 50 0 KKAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Nc2nc(C)cc(Nc3ccc(OC)cc3)n2)cc1 ZINC000100957666 554540697 /nfs/dbraw/zinc/54/06/97/554540697.db2.gz IHHVCQUEIWPMAV-UHFFFAOYSA-N 0 1 584.496 6.243 50 0 KKAAMN COc1ccc(/C=C2\CN(C)CC3=C2N=C2SC=C(c4ccc(OC)cc4)N2[C@H]3c2ccc(OC)cc2)cc1 ZINC000100961402 554542543 /nfs/dbraw/zinc/54/25/43/554542543.db2.gz GZGMAAUUJSUVNV-RZMWZYTASA-N 0 1 537.685 6.454 50 0 KKAAMN Cc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000101064325 554571135 /nfs/dbraw/zinc/57/11/35/554571135.db2.gz LWEZLELYEWSZIC-CTMYTVLESA-N 0 1 589.489 6.614 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@H]1N2[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c2ccc(F)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000101116544 554643192 /nfs/dbraw/zinc/64/31/92/554643192.db2.gz ZHXMHXAMVWYVPG-XAEBNIDXSA-N 0 1 522.620 6.113 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000101179886 554666468 /nfs/dbraw/zinc/66/64/68/554666468.db2.gz NMKBECSUGZNALP-WFPUBZAHSA-N 0 1 544.676 6.557 50 0 KKAAMN CCOc1cc(C(=O)Nc2ccc3nc4c(c(Nc5ccccc5OC)c3c2)CCCC4)cc(OCC)c1OCC ZINC000101193445 554671309 /nfs/dbraw/zinc/67/13/09/554671309.db2.gz JBGLVBIUBYMUFR-UHFFFAOYSA-N 0 1 555.675 7.314 50 0 KKAAMN Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c2ccc(CC(C)C)cc2)[C@@]12c1ccccc1NC2=O ZINC000101196869 554672332 /nfs/dbraw/zinc/67/23/32/554672332.db2.gz VYVHRPGSHGXTNI-WUPCUQSLSA-N 0 1 546.711 6.782 50 0 KKAAMN Cc1ccc(C(O)=C2[C@@H](C(=O)c3ccccc3Cl)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000101210187 554679048 /nfs/dbraw/zinc/67/90/48/554679048.db2.gz HYGQBWAFLZQCDN-WFPUBZAHSA-N 0 1 545.038 6.505 50 0 KKAAMN CCOc1cc([C@@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccccc2)cc(Br)c1O ZINC000101211426 554679551 /nfs/dbraw/zinc/67/95/51/554679551.db2.gz DLKDEKRTILPQDY-XPNTWCBSSA-N 0 1 543.801 5.258 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4cccc(OCC)c4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000101218110 554685276 /nfs/dbraw/zinc/68/52/76/554685276.db2.gz WZVOTJPLDFAAHD-NHKHRBQYSA-N 0 1 530.621 5.714 50 0 KKAAMN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(OCC)c4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000101218110 554685277 /nfs/dbraw/zinc/68/52/77/554685277.db2.gz WZVOTJPLDFAAHD-NHKHRBQYSA-N 0 1 530.621 5.714 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000101254818 554695504 /nfs/dbraw/zinc/69/55/04/554695504.db2.gz RFOUODKSKGQFCU-HKBQPEDESA-N 0 1 634.246 5.668 50 0 KKAAMN Cc1ccc(C2C(=O)C(=O)N(c3nc(SCc4c(F)cccc4Cl)n[nH]3)[C@@H]2c2ccccc2F)cc1 ZINC000101298570 554712475 /nfs/dbraw/zinc/71/24/75/554712475.db2.gz KIFKERJCOVICBW-JOCHJYFZSA-N 0 1 524.980 6.394 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccccc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000101342575 554735855 /nfs/dbraw/zinc/73/58/55/554735855.db2.gz IDVJOBSJCSCVOI-ZPNDBRHUSA-N 0 1 540.619 5.941 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccccc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000101342573 554735913 /nfs/dbraw/zinc/73/59/13/554735913.db2.gz IDVJOBSJCSCVOI-IEMSDXTESA-N 0 1 540.619 5.941 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000101342577 554735916 /nfs/dbraw/zinc/73/59/16/554735916.db2.gz IDVJOBSJCSCVOI-UIUKDCGCSA-N 0 1 540.619 5.941 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000101360667 554742241 /nfs/dbraw/zinc/74/22/41/554742241.db2.gz CSFVDXPSRXRALB-ZQPSKXNCSA-N 0 1 541.047 5.937 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(=C(O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000101360737 554742443 /nfs/dbraw/zinc/74/24/43/554742443.db2.gz GEVDKQLPVVXEBG-KCIBBDPESA-N 0 1 530.649 6.303 50 0 KKAAMN COc1ccc(/C=C2\Sc3ccc(C(=O)NCCCN4CCN(c5cccc(Cl)c5)CC4)cc3N(C)C2=O)cc1 ZINC000101373114 554745124 /nfs/dbraw/zinc/74/51/24/554745124.db2.gz WFXMFBGZSSHYHB-CEUNXORHSA-N 0 1 577.150 5.400 50 0 KKAAMN CN1C(=O)/C(=C/c2ccccc2F)Sc2ccc(C(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)cc21 ZINC000101373595 554745562 /nfs/dbraw/zinc/74/55/62/554745562.db2.gz VCEXOFBXYARLAR-USHMODERSA-N 0 1 565.114 5.531 50 0 KKAAMN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C=Cc4ccccc4)[C@H]3c3ccco3)C2)cc1 ZINC000101395055 554757301 /nfs/dbraw/zinc/75/73/01/554757301.db2.gz CKCPWWSSPNWQFS-UCPJIYJUSA-N 0 1 500.598 7.852 50 0 KKAAMN CCOc1cc([C@@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)ccc1OCc1ccc(Cl)cc1 ZINC000101404279 554761067 /nfs/dbraw/zinc/76/10/67/554761067.db2.gz VNRIIHUZWLGCAZ-XZJHWRHTSA-N 0 1 633.188 9.586 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000101423545 554767750 /nfs/dbraw/zinc/76/77/50/554767750.db2.gz YBGJIIWCXFDZSV-UXCMTWRGSA-N 0 1 578.753 8.901 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(C(=O)OC)cc1 ZINC000101434467 554771863 /nfs/dbraw/zinc/77/18/63/554771863.db2.gz XPXZBFGIKFTXKC-ZOYWYXQUSA-N 0 1 522.645 7.604 50 0 KKAAMN COc1cc([C@@H]2C3C(=O)C[C@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)C2CC2)cc(OC)c1OC ZINC000101445836 554773986 /nfs/dbraw/zinc/77/39/86/554773986.db2.gz QFUKDADJYVPFSX-KWMCUTETSA-N 0 1 514.578 6.266 50 0 KKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000101446639 554773996 /nfs/dbraw/zinc/77/39/96/554773996.db2.gz GHZRULBIJXTUMZ-QNLPTKCRSA-N 0 1 536.672 7.731 50 0 KKAAMN COc1cc([C@@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)C2CC2)cc(OC)c1OC ZINC000101445841 554774044 /nfs/dbraw/zinc/77/40/44/554774044.db2.gz QFUKDADJYVPFSX-XDBZFTIUSA-N 0 1 514.578 6.266 50 0 KKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000101446638 554774094 /nfs/dbraw/zinc/77/40/94/554774094.db2.gz GHZRULBIJXTUMZ-BNHRFMORSA-N 0 1 536.672 7.731 50 0 KKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@@H]3c2cccc(F)c2)cc1 ZINC000101453515 554776109 /nfs/dbraw/zinc/77/61/09/554776109.db2.gz MKJQRDXJZARWAB-GPNASLBKSA-N 0 1 518.588 7.698 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1ccc(F)cc1 ZINC000101462592 554779343 /nfs/dbraw/zinc/77/93/43/554779343.db2.gz BNMXIPLMYHEPFD-WNSROMTISA-N 0 1 538.707 9.254 50 0 KKAAMN CCOc1cc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1 ZINC000101481750 554784354 /nfs/dbraw/zinc/78/43/54/554784354.db2.gz IACWEKZYYKMQGF-WMELESEDSA-N 0 1 593.123 8.888 50 0 KKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cccs2)[C@@H]3c2cccc(F)c2)cc1 ZINC000101482806 554784830 /nfs/dbraw/zinc/78/48/30/554784830.db2.gz FSLJIRVCIUTRNC-IIMAJNMQSA-N 0 1 524.617 7.760 50 0 KKAAMN COc1cc([C@H]2C3C(=O)C[C@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc(OC)c1OC ZINC000101501367 554788355 /nfs/dbraw/zinc/78/83/55/554788355.db2.gz NKUJGAYBQCABSG-UKPGIYTDSA-N 0 1 550.611 7.169 50 0 KKAAMN Cc1cccc(CN2C(=O)/C(=C\c3ccc(C(=O)NCCCN4CCN(c5cc(Cl)ccc5C)CC4)cc3)Oc3ccccc32)c1 ZINC000101506958 554790978 /nfs/dbraw/zinc/79/09/78/554790978.db2.gz UBHIHJMGQIFGOI-XBQJKBNESA-N 0 1 635.208 6.866 50 0 KKAAMN Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)C[C@@H]2C(=O)N(Cc3ccccc3)[C@@H](C)c3nc4ccccc4n32)CC1 ZINC000101507851 554791481 /nfs/dbraw/zinc/79/14/81/554791481.db2.gz QGBFDVONOCOSPV-VVFBEHOQSA-N 0 1 599.179 5.361 50 0 KKAAMN CCc1ccc(/C=C2\Sc3ccccc3N(CC(=O)NCCCN3CCN(c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000101630135 554811734 /nfs/dbraw/zinc/81/17/34/554811734.db2.gz QBJWSKZFWJSMCU-SWKFRHMKSA-N 0 1 558.723 5.196 50 0 KKAAMN Cc1cc(Cl)cc2c1NC(=O)[C@@]21N[C@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]21 ZINC000101670792 554824132 /nfs/dbraw/zinc/82/41/32/554824132.db2.gz RPUKYEYTCDNLPT-IDCDSMMUSA-N 0 1 563.416 5.090 50 0 KKAAMN CCCCCc1ccc(C(O)=C2[C@@H](C(=O)c3ccc(OC(C)=O)cc3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000101672943 554826523 /nfs/dbraw/zinc/82/65/23/554826523.db2.gz ODLMDFGRYDHVQJ-SMTMOVGSSA-N 0 1 624.737 7.201 50 0 KKAAMN COc1cc(C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000101673041 554826669 /nfs/dbraw/zinc/82/66/69/554826669.db2.gz NCMPEINVANYLAC-JMXBWBRMSA-N 0 1 580.681 5.691 50 0 KKAAMN CCN1CCN(c2c(CN(CC(C)C)S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(C)nn2-c2ccccc2)CC1 ZINC000101863773 554844833 /nfs/dbraw/zinc/84/48/33/554844833.db2.gz UFCAFUXJXVQGOC-UHFFFAOYSA-N 0 1 551.801 5.467 50 0 KKAAMN COc1cc(C(=O)Oc2cccc([C@H]3Nc4sc5c(c4C(=O)N3)CCN(C(C)C)C5)c2)cc(OC)c1OC ZINC000101976011 554862828 /nfs/dbraw/zinc/86/28/28/554862828.db2.gz RUWXTUSZLBGBIT-RUZDIDTESA-N 0 1 537.638 5.189 50 0 KKAAMN COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)cc(Br)c1OC(=O)c1ccc(C)cc1 ZINC000102096406 554879430 /nfs/dbraw/zinc/87/94/30/554879430.db2.gz CWEQXWDDVVQEDH-XMMPIXPASA-N 0 1 570.509 6.242 50 0 KKAAMN CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)ccc1OC(=O)c1cccc2ccccc21 ZINC000102096563 554879441 /nfs/dbraw/zinc/87/94/41/554879441.db2.gz BVAVQFUZFPRRSB-NDEPHWFRSA-N 0 1 541.673 6.715 50 0 KKAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)c3cnn(-c4ccc(C)c(C)c4)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1 ZINC000102130774 554885537 /nfs/dbraw/zinc/88/55/37/554885537.db2.gz UNHWOWXOWKFYOC-UHFFFAOYSA-N 0 1 628.862 6.163 50 0 KKAAMN COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000102188260 554894068 /nfs/dbraw/zinc/89/40/68/554894068.db2.gz UUFWBOKRWUJEEU-UHFFFAOYSA-N 0 1 561.480 5.063 50 0 KKAAMN CC(C)Cc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3Cl)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102191250 554894352 /nfs/dbraw/zinc/89/43/52/554894352.db2.gz YBGXFHSCFMYWJF-JVNOLKNPSA-N 0 1 587.119 7.395 50 0 KKAAMN CN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(F)c(Cl)c1)C(c1ccc(Br)cc1)=N2 ZINC000102243898 554903285 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ZINC000102546759 554959477 /nfs/dbraw/zinc/95/94/77/554959477.db2.gz QYVYGXIWUJOHGA-MRXMROIASA-N 0 1 566.701 7.194 50 0 KKAAMN O=C(c1cccs1)N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C2[C@@H]1c1ccccc1Cl ZINC000102646723 554992903 /nfs/dbraw/zinc/99/29/03/554992903.db2.gz BXSHOCVHOLGOSP-XBBWARJSSA-N 0 1 529.036 8.405 50 0 KKAAMN COCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COc1ccccc1C ZINC000102661965 555000696 /nfs/dbraw/zinc/00/06/96/555000696.db2.gz UBYXKEZTSVAMML-JGCGQSQUSA-N 0 1 599.816 6.124 50 0 KKAAMN COCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000102661991 555001035 /nfs/dbraw/zinc/00/10/35/555001035.db2.gz BMCBCCFWKZJUHQ-HKBQPEDESA-N 0 1 620.234 6.469 50 0 KKAAMN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC ZINC000102756988 555049684 /nfs/dbraw/zinc/04/96/84/555049684.db2.gz WSGXYDUGBGMQTN-JCYYIGJDSA-N 0 1 500.595 5.624 50 0 KKAAMN Cc1ccc(CN2C(=O)/C(=C\c3ccc(C(=O)NCCCN4CCN(c5ccc(F)cc5)CC4)cc3)Oc3ccccc32)cc1 ZINC000102770840 555058313 /nfs/dbraw/zinc/05/83/13/555058313.db2.gz JWYICRKADZYSCA-KVQDIILNSA-N 0 1 604.726 6.043 50 0 KKAAMN C[C@H](C(=O)NCCCN1CCN(c2ccc(F)cc2)CC1)[C@H]1Sc2ccccc2N(Cc2ccc(F)cc2Cl)C1=O ZINC000102773179 555061858 /nfs/dbraw/zinc/06/18/58/555061858.db2.gz NMKQMWBVFHUUAV-KCWXNJEJSA-N 0 1 599.147 5.590 50 0 KKAAMN CCOc1ccc(CCNC(=O)C2CCN(Cc3nc(-c4cccc(Br)c4)oc3C)CC2)cc1OCC ZINC000102774342 555062382 /nfs/dbraw/zinc/06/23/82/555062382.db2.gz DMCBETQBGACMEV-UHFFFAOYSA-N 0 1 570.528 5.781 50 0 KKAAMN O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc21 ZINC000102840254 555081248 /nfs/dbraw/zinc/08/12/48/555081248.db2.gz OGXJZCDFFBDSJJ-UHFFFAOYSA-N 0 1 523.758 5.221 50 0 KKAAMN CC[C@@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)c1cccc(Br)c1 ZINC000102850426 555085519 /nfs/dbraw/zinc/08/55/19/555085519.db2.gz ZERHFJYIGHLKRB-HXUWFJFHSA-N 0 1 556.524 5.665 50 0 KKAAMN CC[C@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)c1ccccc1Br ZINC000102850916 555085781 /nfs/dbraw/zinc/08/57/81/555085781.db2.gz DTRRFKPVIYHFBG-FQEVSTJZSA-N 0 1 556.524 5.665 50 0 KKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cccs2)[C@@H]3c2cccs2)cc1OC ZINC000102865082 555094793 /nfs/dbraw/zinc/09/47/93/555094793.db2.gz YRHPUTDOZKKAFI-SONOPUAISA-N 0 1 542.682 7.691 50 0 KKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cccs2)[C@H]3c2cccs2)cc1OC ZINC000102865070 555094868 /nfs/dbraw/zinc/09/48/68/555094868.db2.gz YRHPUTDOZKKAFI-SLQAJWMNSA-N 0 1 542.682 7.691 50 0 KKAAMN CCCCOc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Cc2ccccc2)cc1 ZINC000102878832 555108177 /nfs/dbraw/zinc/10/81/77/555108177.db2.gz OAWIXVQMZGVQQG-YTTGMZPUSA-N 0 1 508.662 7.901 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@@H]1c1ccccc1Cl ZINC000102879773 555108661 /nfs/dbraw/zinc/10/86/61/555108661.db2.gz VLKLAEJZMIDSMT-WOPWWUTRSA-N 0 1 555.162 9.768 50 0 KKAAMN COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000102883585 555112109 /nfs/dbraw/zinc/11/21/09/555112109.db2.gz TWMUDXNVQVFUQP-NLDZOOGBSA-N 0 1 552.558 5.413 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1OC ZINC000102886671 555117333 /nfs/dbraw/zinc/11/73/33/555117333.db2.gz CZOZDEUWDAJUED-MNFIMQGSSA-N 0 1 550.655 5.682 50 0 KKAAMN COc1cc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000102893825 555131611 /nfs/dbraw/zinc/13/16/11/555131611.db2.gz NCMPEINVANYLAC-XMUPGDTHSA-N 0 1 580.681 5.691 50 0 KKAAMN CC(C)(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3ccccc3Cl)C2)cc1 ZINC000102934959 555162201 /nfs/dbraw/zinc/16/22/01/555162201.db2.gz AONAHJSCHPRXAM-VKGTZQKMSA-N 0 1 553.024 8.750 50 0 KKAAMN Ic1ccc(N=[P@@](c2ccccc2)([C@H]2CCCC=C2N2CCOCC2)N2CCOCC2)cc1 ZINC000102945694 555171667 /nfs/dbraw/zinc/17/16/67/555171667.db2.gz HPCVIMORDGQJLI-OOOSNSGVSA-N 0 1 577.447 5.465 50 0 KKAAMN COc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccco2)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000102994026 555194040 /nfs/dbraw/zinc/19/40/40/555194040.db2.gz LTQGJKBUWQPZIK-HSZRJFAPSA-N 0 1 588.469 5.376 50 0 KKAAMN CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(c4ccccc4)CC3)c(Cl)cc2Cl)cc1 ZINC000103001923 555201672 /nfs/dbraw/zinc/20/16/72/555201672.db2.gz HBYCGMXIEFRESE-UHFFFAOYSA-N 0 1 546.520 6.099 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3cc(Cl)ccc3C)C2=O)c1 ZINC000103004324 555202583 /nfs/dbraw/zinc/20/25/83/555202583.db2.gz FESUBQCMVKAANH-BWAHOGKJSA-N 0 1 574.058 6.098 50 0 KKAAMN Cc1nn(-c2cccc(F)c2)c(N2CCN(C(C)C)CC2)c1CN(C(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000103024401 555214820 /nfs/dbraw/zinc/21/48/20/555214820.db2.gz KUUQEENAVOKMLQ-UHFFFAOYSA-N 0 1 546.518 6.208 50 0 KKAAMN C[C@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Nc1cccc(Cl)c1Cl ZINC000103040002 555224619 /nfs/dbraw/zinc/22/46/19/555224619.db2.gz FWZPRJIMSLCVPB-MYUZEXMDSA-N 0 1 575.537 6.296 50 0 KKAAMN CCOc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2cccc(NS(=O)(=O)c3cc(Br)ccc3OC)c2)n1 ZINC000103047316 555229112 /nfs/dbraw/zinc/22/91/12/555229112.db2.gz HBDKSRQYHJSTLT-UHFFFAOYSA-N 0 1 597.413 5.924 50 0 KKAAMN CCOc1nc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(NS(=O)(=O)c3cc(Br)ccc3OC)cc2)n1 ZINC000103047318 555229120 /nfs/dbraw/zinc/22/91/20/555229120.db2.gz USESRIWROVSWDP-UHFFFAOYSA-N 0 1 597.413 5.924 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)COc2cccc3ccccc32)ccc1N1CCCC1 ZINC000103049581 555231786 /nfs/dbraw/zinc/23/17/86/555231786.db2.gz KUDNCNAUKXASMT-UHFFFAOYSA-N 0 1 531.634 5.267 50 0 KKAAMN CCN(CC)c1ccc(NC(=O)c2ccccc2I)cc1S(=O)(=O)Nc1ccccc1OC ZINC000103049923 555232211 /nfs/dbraw/zinc/23/22/11/555232211.db2.gz MSDQMFGGJSMXQI-UHFFFAOYSA-N 0 1 579.460 5.199 50 0 KKAAMN CCCCCc1ccc(C(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000103061237 555242319 /nfs/dbraw/zinc/24/23/19/555242319.db2.gz CRAAZTDUHIJFSQ-QNLPTKCRSA-N 0 1 561.767 6.331 50 0 KKAAMN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccccc1C(=O)OCC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000103090076 555269163 /nfs/dbraw/zinc/26/91/63/555269163.db2.gz KXOHXFAYQAKGLU-UHFFFAOYSA-N 0 1 550.721 6.077 50 0 KKAAMN COc1ccc(OC)c(CN2CCCN(c3nc(Cc4ccc(C)cc4)nc4c3c(C)nn4-c3ccccc3)CC2)c1 ZINC000103128571 555296748 /nfs/dbraw/zinc/29/67/48/555296748.db2.gz NETFNKWQRSJUHE-UHFFFAOYSA-N 0 1 562.718 5.753 50 0 KKAAMN O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000103146655 555313798 /nfs/dbraw/zinc/31/37/98/555313798.db2.gz XIKSMJSOKFLBSK-UHFFFAOYSA-N 0 1 526.467 8.003 50 0 KKAAMN CCCCc1ccc(C(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000103167448 555323506 /nfs/dbraw/zinc/32/35/06/555323506.db2.gz KMBSGQASVNVNGI-IPBJYNAHSA-N 0 1 547.740 5.941 50 0 KKAAMN Cc1ccc(N2CCCN(Cc3ccc(Cl)c(Cl)c3)C2=O)c(NS(=O)(=O)c2cccc(Cl)c2)c1 ZINC000103185331 555331002 /nfs/dbraw/zinc/33/10/02/555331002.db2.gz HTMDXIARWXRPLQ-UHFFFAOYSA-N 0 1 538.884 6.588 50 0 KKAAMN CC(C)(C)c1ccc(CN2CCN(c3nc4nn(-c5ccc(Cl)c(Cl)c5)c(N)c4c(-c4ccccc4F)n3)CC2)cc1 ZINC000103210020 555339603 /nfs/dbraw/zinc/33/96/03/555339603.db2.gz ACCXVWKIBDXAOE-UHFFFAOYSA-N 0 1 604.561 7.130 50 0 KKAAMN CCCOc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)CC)[C@H]2c1ccc(OC)cc1 ZINC000103313142 555358348 /nfs/dbraw/zinc/35/83/48/555358348.db2.gz CHHMUAGNGFKZSO-KCEHZKJRSA-N 0 1 510.634 7.444 50 0 KKAAMN CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CCN(Cc3ccccc3)C[C@H]12 ZINC000103405495 555391756 /nfs/dbraw/zinc/39/17/56/555391756.db2.gz CSTFUZXEARCNQU-XCZPVHLTSA-N 0 1 549.900 5.759 50 0 KKAAMN O=C1NC(=O)[C@]2(Cc3cc(C(F)(F)F)ccc3N3CC[C@@H](c4ccccc4)C[C@@H]32)C(=O)N1c1ccccc1 ZINC000103406021 555392375 /nfs/dbraw/zinc/39/23/75/555392375.db2.gz XLCHVKBGAJZNNR-WJPVBLRZSA-N 0 1 519.523 5.284 50 0 KKAAMN O=C(NCCN1CCCCC1)c1csc(CN(CCC(c2ccccc2)c2ccccc2)Cc2cccc(Cl)c2)n1 ZINC000103432109 555413759 /nfs/dbraw/zinc/41/37/59/555413759.db2.gz VRKGHHXTZVYTCU-UHFFFAOYSA-N 0 1 587.233 7.237 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3cccc(OC)c3)N3c4ccccc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103519251 555424890 /nfs/dbraw/zinc/42/48/90/555424890.db2.gz ZTYDDRLGGLFHNO-GSFCIGPDSA-N 0 1 570.645 5.950 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccccc3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N32)c1 ZINC000103522291 555427000 /nfs/dbraw/zinc/42/70/00/555427000.db2.gz OHFUJNZLLGQHOQ-BSYZOHBLSA-N 0 1 554.646 6.250 50 0 KKAAMN CC(C)(C)C(=O)[C@@H]1C(=C(O)c2ccc(Cl)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000103522824 555427287 /nfs/dbraw/zinc/42/72/87/555427287.db2.gz AOQJUWHDEYTHRR-ZGQJUUMOSA-N 0 1 545.466 6.582 50 0 KKAAMN COc1cccc(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000103526407 555428748 /nfs/dbraw/zinc/42/87/48/555428748.db2.gz JAEDMTIMWZYTMY-VGBJTSDXSA-N 0 1 546.648 6.003 50 0 KKAAMN COc1cccc(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccccc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000103526398 555428757 /nfs/dbraw/zinc/42/87/57/555428757.db2.gz JAEDMTIMWZYTMY-HKFRAXQBSA-N 0 1 546.648 6.003 50 0 KKAAMN CC(C)(C)C(=O)[C@@H]1C(=C(O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000103536812 555436235 /nfs/dbraw/zinc/43/62/35/555436235.db2.gz FFFLNPZJGHOYDF-ZGQJUUMOSA-N 0 1 529.011 6.068 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103536947 555436260 /nfs/dbraw/zinc/43/62/60/555436260.db2.gz UNNOOPIXWZNMAT-IDSQFFPFSA-N 0 1 532.621 5.613 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccc4c(c3)OCO4)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4cc(C)ccc4N32)c1 ZINC000103552193 555444490 /nfs/dbraw/zinc/44/44/90/555444490.db2.gz VDKDCQCYZSIFDO-RMCTXKKHSA-N 0 1 598.655 5.979 50 0 KKAAMN Cc1c(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(-c2ccccc2)n1NC(=O)c1ccncc1 ZINC000059700183 562702115 /nfs/dbraw/zinc/70/21/15/562702115.db2.gz PRXZOPNJRFEGRH-UHFFFAOYSA-N 0 1 519.571 5.583 50 0 KKAAMN CCOc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Cc2ccc(Cl)cc2)cc1 ZINC000104093725 571373610 /nfs/dbraw/zinc/37/36/10/571373610.db2.gz RVUUKFKNZJCGPW-PMERELPUSA-N 0 1 515.053 7.774 50 0 KKAAMN COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@@H]3c2ccc(F)cc2)c1 ZINC000104116921 571374163 /nfs/dbraw/zinc/37/41/63/571374163.db2.gz KJTSPADKWNVTIR-WXTAPIANSA-N 0 1 510.487 6.947 50 0 KKAAMN COc1cccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Cc2ccc(Cl)cc2)c1 ZINC000104153446 571375579 /nfs/dbraw/zinc/37/55/79/571375579.db2.gz LUEIVNMUGNCUCE-LJAQVGFWSA-N 0 1 501.026 7.384 50 0 KKAAMN Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@H]2C)c(C)c1 ZINC000105060834 571390838 /nfs/dbraw/zinc/39/08/38/571390838.db2.gz KUGOJTZHVXDPIL-RNWIMVQKSA-N 0 1 569.768 5.072 50 0 KKAAMN C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000105062169 571390925 /nfs/dbraw/zinc/39/09/25/571390925.db2.gz YFGKOZWXRWYBSB-YKGWIAGDSA-N 0 1 583.795 5.444 50 0 KKAAMN CCOc1cc([C@@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000105796024 571408653 /nfs/dbraw/zinc/40/86/53/571408653.db2.gz HUFSSWPPXLWONS-IDZRBWSNSA-N 0 1 555.030 6.369 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000105795747 571408780 /nfs/dbraw/zinc/40/87/80/571408780.db2.gz BBOHAIIIDKKKOY-JCYYIGJDSA-N 0 1 556.521 5.244 50 0 KKAAMN O=C(Oc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1)c1ccccc1 ZINC000105796842 571408850 /nfs/dbraw/zinc/40/88/50/571408850.db2.gz NJMUSOJLJZIDAC-ZONZVBGPSA-N 0 1 559.405 6.264 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccc(C)cc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000106014525 571410327 /nfs/dbraw/zinc/41/03/27/571410327.db2.gz QXMRFAOQGSOMCQ-IEMSDXTESA-N 0 1 575.064 6.513 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000106018479 571410456 /nfs/dbraw/zinc/41/04/56/571410456.db2.gz TZUNLFJDWCLZIL-IDZRBWSNSA-N 0 1 599.481 6.396 50 0 KKAAMN O=C(Oc1ccc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)cc1)c1ccccc1 ZINC000106018366 571410503 /nfs/dbraw/zinc/41/05/03/571410503.db2.gz YRTFIEWOVFCHFC-OYUWMTPXSA-N 0 1 569.411 5.719 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000106018823 571410764 /nfs/dbraw/zinc/41/07/64/571410764.db2.gz AAAJFWWGPFFRCY-MPFGFTFXSA-N 0 1 603.444 6.227 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000106534666 571412810 /nfs/dbraw/zinc/41/28/10/571412810.db2.gz OIRWBXMOGKGXBN-JCYYIGJDSA-N 0 1 599.437 5.728 50 0 KKAAMN O=C(NC1CCN(C(=O)c2c(Cl)cccc2Cl)CC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl ZINC000108420209 571423614 /nfs/dbraw/zinc/42/36/14/571423614.db2.gz XNPRAPJPBIIPNU-UHFFFAOYSA-N 0 1 555.249 5.310 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(OCC)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000137837082 571450611 /nfs/dbraw/zinc/45/06/11/571450611.db2.gz FHDYXOUHSLSYQA-ZGIBFIJWSA-N 0 1 530.621 5.714 50 0 KKAAMN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(OCC)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC ZINC000137837082 571450613 /nfs/dbraw/zinc/45/06/13/571450613.db2.gz FHDYXOUHSLSYQA-ZGIBFIJWSA-N 0 1 530.621 5.714 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4cccc(F)c4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000137932365 571450886 /nfs/dbraw/zinc/45/08/86/571450886.db2.gz CMVWLEGROGMBLI-OYUWMTPXSA-N 0 1 504.558 5.454 50 0 KKAAMN CCCN(CCC)Cc1c(OC(=O)c2cc(OC)c(OC)c(OC)c2)ccc2c(=O)c(Oc3cc(C)cc(C)c3C)c(C(F)(F)F)oc21 ZINC000150389080 571471448 /nfs/dbraw/zinc/47/14/48/571471448.db2.gz GOSNNBXZOREKSP-UHFFFAOYSA-N 0 1 671.709 8.396 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000150396506 571476535 /nfs/dbraw/zinc/47/65/35/571476535.db2.gz KJHCZVNSRWMCSC-WJOKGBTCSA-N 0 1 668.691 6.321 50 0 KKAAMN CCOc1cc([C@H]2C3=C(C[C@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(=O)C(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000150398794 571477473 /nfs/dbraw/zinc/47/74/73/571477473.db2.gz LKQSJBOWWGXSDG-ZSQPVGNWSA-N 0 1 655.622 10.177 50 0 KKAAMN O=C1N[C@H](c2c(Br)cc(Br)c([O-])c2Br)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000150399616 571477724 /nfs/dbraw/zinc/47/77/24/571477724.db2.gz ZTBZIKMHULFZID-FQEVSTJZSA-N 0 1 628.184 6.728 50 0 KKAAMN O=C1N[C@H](c2c(Br)cc(Br)c([O-])c2Br)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000150399616 571477725 /nfs/dbraw/zinc/47/77/25/571477725.db2.gz ZTBZIKMHULFZID-FQEVSTJZSA-N 0 1 628.184 6.728 50 0 KKAAMN COc1ccc(Br)cc1[C@H]1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)C(=O)N1c1ccc(Cl)cc1C ZINC000150403315 571478664 /nfs/dbraw/zinc/47/86/64/571478664.db2.gz ZYBHJDMYUWQQRL-VXKWHMMOSA-N 0 1 663.566 7.786 50 0 KKAAMN COc1ccc(Br)cc1[C@@H]1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)C(=O)N1c1ccc(Cl)cc1 ZINC000150403329 571478708 /nfs/dbraw/zinc/47/87/08/571478708.db2.gz OSGSHERXGSTTEC-RTWAWAEBSA-N 0 1 649.539 7.477 50 0 KKAAMN COc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2cc(Br)ccc2OC)cc1 ZINC000150403261 571478710 /nfs/dbraw/zinc/47/87/10/571478710.db2.gz GCVNVDRGAXPNFL-YADHBBJMSA-N 0 1 645.120 6.833 50 0 KKAAMN CCN(CC)c1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)cc1S(=O)(=O)Nc1ccccc1OC ZINC000150407619 571480196 /nfs/dbraw/zinc/48/01/96/571480196.db2.gz BZKHIEYHQSNJBR-UHFFFAOYSA-N 0 1 636.796 5.728 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)ccc2Cl)ccc1N1CCCC1 ZINC000150408081 571480546 /nfs/dbraw/zinc/48/05/46/571480546.db2.gz HLZAHGGYSPEHQO-UHFFFAOYSA-N 0 1 673.188 5.966 50 0 KKAAMN COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4cc(OC)c(OC)c(OC)c4)C3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000150410303 571482670 /nfs/dbraw/zinc/48/26/70/571482670.db2.gz MPJYHPGQIDHCQO-QSSUKDSPSA-N 0 1 740.806 7.628 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000150414236 571484903 /nfs/dbraw/zinc/48/49/03/571484903.db2.gz YGZMRESDSFEGSK-MGBGTMOVSA-N 0 1 671.864 5.191 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000150418514 571486623 /nfs/dbraw/zinc/48/66/23/571486623.db2.gz QFCNUNRGCJXESN-JGCGQSQUSA-N 0 1 645.895 5.736 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000150418514 571486625 /nfs/dbraw/zinc/48/66/25/571486625.db2.gz QFCNUNRGCJXESN-JGCGQSQUSA-N 0 1 645.895 5.736 50 0 KKAAMN COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCCN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000150418947 571486741 /nfs/dbraw/zinc/48/67/41/571486741.db2.gz XBCIQXZFQISVMN-MUUNZHRXSA-N 0 1 640.181 5.040 50 0 KKAAMN COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](c4ccccc4)C3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000150419943 571487127 /nfs/dbraw/zinc/48/71/27/571487127.db2.gz YZOPLKIMLXNHAW-JEHQLEFQSA-N 0 1 650.728 7.602 50 0 KKAAMN COc1ccc2nc(SCC(=O)N3c4ccccc4N=C4C[C@H](c5ccc(F)cc5)CC(=O)C4[C@@H]3c3cccc(OC)c3)[nH]c2c1 ZINC000150437194 571496587 /nfs/dbraw/zinc/49/65/87/571496587.db2.gz ZAVCICCRLWJHHX-NMRUTFGKSA-N 0 1 634.733 8.062 50 0 KKAAMN COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4ccc(C)cc4)C3)[C@@H]2c2cccc(Br)c2)cc(OC)c1OC ZINC000150437099 571496621 /nfs/dbraw/zinc/49/66/21/571496621.db2.gz VTZYMDZMMIMYLW-WOPWWUTRSA-N 0 1 653.573 8.647 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3-c2ccccc2)ccc1N1CCOCC1 ZINC000150438491 571497009 /nfs/dbraw/zinc/49/70/09/571497009.db2.gz OCQZUOUZSDABCQ-UHFFFAOYSA-N 0 1 674.783 6.294 50 0 KKAAMN COc1cc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cc(Cl)cc(Cl)c2)cc(OC)c1OC ZINC000150440226 571497836 /nfs/dbraw/zinc/49/78/36/571497836.db2.gz TWOHEVSOPVWMIT-FGZHOGPDSA-N 0 1 665.140 7.386 50 0 KKAAMN COc1cc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(Cl)c2)cc(OC)c1OC ZINC000150440249 571497855 /nfs/dbraw/zinc/49/78/55/571497855.db2.gz QNFYXZLNIRQJDK-XZOQPEGZSA-N 0 1 644.722 7.041 50 0 KKAAMN COc1cc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Cl)c(Cl)c2)cc(OC)c1OC ZINC000150440271 571497859 /nfs/dbraw/zinc/49/78/59/571497859.db2.gz UXOBXWGDZCVSBM-FCHUYYIVSA-N 0 1 665.140 7.386 50 0 KKAAMN CCOc1cc(-c2nc(-c3ccccc3)c(-c3ccc(-c4nc(-c5ccc(O)c(OCC)c5)[nH]c4-c4ccccc4)cc3)[nH]2)ccc1O ZINC000150443920 571499578 /nfs/dbraw/zinc/49/95/78/571499578.db2.gz ZFAYCTNCSAREMO-UHFFFAOYSA-N 0 1 634.736 9.343 50 0 KKAAMN CCOc1cc(-c2nc(-c3ccc(-c4nc(-c5ccc(O)c(OCC)c5)[nH]c4-c4ccccc4)cc3)c(-c3ccccc3)[nH]2)ccc1O ZINC000150443920 571499580 /nfs/dbraw/zinc/49/95/80/571499580.db2.gz ZFAYCTNCSAREMO-UHFFFAOYSA-N 0 1 634.736 9.343 50 0 KKAAMN COc1cccc(-c2nc(-c3ccc(-c4[nH]c(-c5cccc(OC)c5OC)nc4-c4ccccc4)cc3)c(-c3ccccc3)[nH]2)c1OC ZINC000150449747 571502101 /nfs/dbraw/zinc/50/21/01/571502101.db2.gz UTTQRZZEZJVKMR-UHFFFAOYSA-N 0 1 634.736 9.169 50 0 KKAAMN COc1cccc(-c2nc(-c3ccc(-c4nc(-c5cccc(OC)c5OC)[nH]c4-c4ccccc4)cc3)c(-c3ccccc3)[nH]2)c1OC ZINC000150449747 571502102 /nfs/dbraw/zinc/50/21/02/571502102.db2.gz UTTQRZZEZJVKMR-UHFFFAOYSA-N 0 1 634.736 9.169 50 0 KKAAMN COc1cc(OC)c(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(C)c(S(=O)(=O)Nc4ccc(Cl)cc4)c3)c2)cc1Cl ZINC000150451248 571502824 /nfs/dbraw/zinc/50/28/24/571502824.db2.gz ULOAYCIGDFLTSQ-UHFFFAOYSA-N 0 1 685.007 6.826 50 0 KKAAMN COc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2ccc3c(c2)OCO3)cc1Cl ZINC000150451637 571503038 /nfs/dbraw/zinc/50/30/38/571503038.db2.gz WIELUBOWBSPHDS-FGZHOGPDSA-N 0 1 614.652 6.444 50 0 KKAAMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccc(S(=O)(=O)N(Cc4ccccc4)c4ccccc4)c3)ccc2OC)cc1 ZINC000150452736 571503423 /nfs/dbraw/zinc/50/34/23/571503423.db2.gz ZFTKBHHLMACDGI-UHFFFAOYSA-N 0 1 671.797 6.543 50 0 KKAAMN COc1ccc(NC2=C(Sc3cccc(NS(=O)(=O)c4cc(Br)ccc4OC)c3)C(=O)N(c3cc(C)ccc3OC)C2=O)cc1 ZINC000150458114 571505447 /nfs/dbraw/zinc/50/54/47/571505447.db2.gz UWXQWINJLYUGNE-UHFFFAOYSA-N 0 1 710.628 6.573 50 0 KKAAMN CCCCOc1ccc(C(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000169677358 571555027 /nfs/dbraw/zinc/55/50/27/571555027.db2.gz WRQAGDADNSFIDQ-GTYOFVGBSA-N 0 1 563.739 5.777 50 0 KKAAMN CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)[C@@H](C)CC ZINC000169680302 571556752 /nfs/dbraw/zinc/55/67/52/571556752.db2.gz QIMXNGXATPZSKZ-WMZHIEFXSA-N 0 1 502.055 5.633 50 0 KKAAMN CC(C)c1ccc(NC(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000169680838 571556953 /nfs/dbraw/zinc/55/69/53/571556953.db2.gz FCXWUYCGGPJHNB-SMSORMJASA-N 0 1 548.728 6.113 50 0 KKAAMN Cc1ccccc1C(=O)N1CCN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2ccccc2C)C[C@@H]1C ZINC000169681617 571557418 /nfs/dbraw/zinc/55/74/18/571557418.db2.gz PQDBPBCIWVBSMH-MUAVYFROSA-N 0 1 501.696 5.076 50 0 KKAAMN O=C(NCc1cccc(F)c1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12 ZINC000169681813 571557652 /nfs/dbraw/zinc/55/76/52/571557652.db2.gz PCRSEICAIJDUFM-AHWVRZQESA-N 0 1 515.526 5.163 50 0 KKAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2ccc(OC)c(OC(C)C)c2)cc1OC ZINC000263585414 572118311 /nfs/dbraw/zinc/11/83/11/572118311.db2.gz IHYUCPYKBNICIV-GOSISDBHSA-N 0 1 532.545 5.420 50 0 KKAAMN COc1ccc(CCOc2ccc([C@H]3CC(=O)Oc4cc(=O)c5c(O)c(-c6ccc(OC)c(OC)c6)coc-5c43)cc2OC)cc1 ZINC000263586617 572124207 /nfs/dbraw/zinc/12/42/07/572124207.db2.gz WEOYYXBDKGLNBJ-XMMPIXPASA-N 0 1 624.642 6.263 50 0 KKAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2ccc(OCCc3ccccc3)c(OC)c2)cc1OC ZINC000263586807 572125270 /nfs/dbraw/zinc/12/52/70/572125270.db2.gz YEGAHYXUJBFZDH-HSZRJFAPSA-N 0 1 594.616 6.254 50 0 KKAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@H]4c2coc3ccc(C)cc3c2=O)cc1OC ZINC000263586916 572125798 /nfs/dbraw/zinc/12/57/98/572125798.db2.gz ZPQSCMDVMOBZID-INIZCTEOSA-N 0 1 526.497 5.039 50 0 KKAAMN O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC[C@@H](COc2ccc(CN3CCN(c4ccccc4)CC3)cc2)C1 ZINC000299755487 572134271 /nfs/dbraw/zinc/13/42/71/572134271.db2.gz DMUARAYHMTUKQH-HHHXNRCGSA-N 0 1 535.692 5.330 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000226815573 572142163 /nfs/dbraw/zinc/14/21/63/572142163.db2.gz ACMGXGJEOXNCQB-OYUWMTPXSA-N 0 1 521.013 5.969 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000226893079 572144699 /nfs/dbraw/zinc/14/46/99/572144699.db2.gz UNNOOPIXWZNMAT-FFAHVWSXSA-N 0 1 532.621 5.613 50 0 KKAAMN CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@@H]3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000226919459 572145303 /nfs/dbraw/zinc/14/53/03/572145303.db2.gz YEQKIUHBYOXGIP-OJDZSJEKSA-N 0 1 534.612 6.024 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccc(Cl)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N23)c1 ZINC000227029489 572148404 /nfs/dbraw/zinc/14/84/04/572148404.db2.gz BFKUDOCGLQITML-RJISQBBCSA-N 0 1 589.091 6.903 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3ccc(Cl)cc3)N3c4ccc(C)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227070434 572148806 /nfs/dbraw/zinc/14/88/06/572148806.db2.gz QXMRFAOQGSOMCQ-UIUKDCGCSA-N 0 1 575.064 6.513 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2C(=C(O)c3ccc(Cl)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N23)cc1 ZINC000227230893 572150942 /nfs/dbraw/zinc/15/09/42/572150942.db2.gz WTVQPCPUGQEZOF-RJISQBBCSA-N 0 1 573.092 7.203 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2C(=C(O)c3ccc(F)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N23)cc1 ZINC000227240522 572152254 /nfs/dbraw/zinc/15/22/54/572152254.db2.gz OMWRNGACGBMPBK-RJISQBBCSA-N 0 1 556.637 6.689 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000227242445 572152323 /nfs/dbraw/zinc/15/23/23/572152323.db2.gz MERBINIMWJKIGN-UPRLRBBYSA-N 0 1 572.976 5.758 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227244958 572152873 /nfs/dbraw/zinc/15/28/73/572152873.db2.gz IYAXPSHEPWJHMB-YQQRZDPSSA-N 0 1 560.675 6.311 50 0 KKAAMN Cc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccc(C)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227302423 572153391 /nfs/dbraw/zinc/15/33/91/572153391.db2.gz ZZWIRYBYBNQXSK-UIUKDCGCSA-N 0 1 524.620 6.160 50 0 KKAAMN COc1cccc(C(O)=C2[C@H](C(=O)Nc3ccc(Cl)cc3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000227251459 572153527 /nfs/dbraw/zinc/15/35/27/572153527.db2.gz JXPUQSZNRYXNKE-YQQRZDPSSA-N 0 1 576.052 5.961 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2C(=C(O)c3ccc(OC)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=Cc4ccccc4N32)cc1 ZINC000229590864 572154488 /nfs/dbraw/zinc/15/44/88/572154488.db2.gz VYVVVCHSIGQPSQ-OLBUMSFYSA-N 0 1 556.618 5.560 50 0 KKAAMN O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@H](C(=O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000229631967 572158220 /nfs/dbraw/zinc/15/82/20/572158220.db2.gz HBDFOCFVBQODHH-CILKRHGOSA-N 0 1 546.026 5.952 50 0 KKAAMN O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1[C@H](C(=O)c2ccc(Cl)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000229861989 572162049 /nfs/dbraw/zinc/16/20/49/572162049.db2.gz LCKSGIXFRYZEAE-URSNNPPXSA-N 0 1 637.135 7.646 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3cccc(OC)c3)N3c4ccc(C)cc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229906803 572168503 /nfs/dbraw/zinc/16/85/03/572168503.db2.gz KNZGIGYEWUSNDD-BEJGJRQXSA-N 0 1 584.672 6.258 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(=C(O)c1ccc3c(c1)OCO3)[C@@]21C(=O)Nc2ccccc21 ZINC000229912807 572169106 /nfs/dbraw/zinc/16/91/06/572169106.db2.gz FPLRWFVCYHKRFR-UODPJZIASA-N 0 1 560.631 5.723 50 0 KKAAMN COc1cccc(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccc(C)cc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000229927108 572170836 /nfs/dbraw/zinc/17/08/36/572170836.db2.gz GYVPQSCZAHIGTI-CLWMVSBGSA-N 0 1 560.675 6.311 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccc(Cl)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000229937384 572171904 /nfs/dbraw/zinc/17/19/04/572171904.db2.gz SABPLPPUZHYNMI-WYODCFETSA-N 0 1 559.065 6.895 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccc(C)cc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229944135 572172418 /nfs/dbraw/zinc/17/24/18/572172418.db2.gz QYVYGXIWUJOHGA-OHVVKICRSA-N 0 1 566.701 7.194 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000230013169 572178399 /nfs/dbraw/zinc/17/83/99/572178399.db2.gz DUEVLRKFAWQZET-ZPBGSLHZSA-N 0 1 504.630 5.974 50 0 KKAAMN 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 572182732 /nfs/dbraw/zinc/18/27/32/572182732.db2.gz FNDYDIKFWGWYQF-JDONGJSOSA-N 0 1 536.628 5.292 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(=C(O)c2ccc3c(c2)OCO3)[C@@]12C(=O)Nc1ccccc12 ZINC000245245176 572217240 /nfs/dbraw/zinc/21/72/40/572217240.db2.gz BFOJAMMFFULLIJ-DCMQHHMNSA-N 0 1 574.658 6.031 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(=C(O)c1ccc3c(c1)OCO3)[C@]21C(=O)Nc2ccccc21 ZINC000245246057 572218667 /nfs/dbraw/zinc/21/86/67/572218667.db2.gz GUAGTPGUTGYUGT-WYODCFETSA-N 0 1 554.602 5.662 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1OC ZINC000245246389 572219369 /nfs/dbraw/zinc/21/93/69/572219369.db2.gz KCTHGZUOXIIMGF-BCHNEZAYSA-N 0 1 564.682 5.991 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccc(C)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000245246822 572219890 /nfs/dbraw/zinc/21/98/90/572219890.db2.gz PCDDREDJSVDBSH-CSSWAUQYSA-N 0 1 552.674 6.804 50 0 KKAAMN CCCCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C=C[C@@H]3[C@]23c2ccccc2NC3=O)cc1 ZINC000245246860 572220218 /nfs/dbraw/zinc/22/02/18/572220218.db2.gz PWNHKPOEKRXUKM-NGUINGDESA-N 0 1 560.738 7.316 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccc(C)cc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245247541 572220723 /nfs/dbraw/zinc/22/07/23/572220723.db2.gz VIQSGCVZJLASTE-GSFCIGPDSA-N 0 1 554.646 6.250 50 0 KKAAMN COc1ccc(OC)c(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000245247499 572220895 /nfs/dbraw/zinc/22/08/95/572220895.db2.gz TXPDZRGFCPSHFU-MKYOLNSUSA-N 0 1 562.647 5.621 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(=C(O)c1ccc(Br)cc1)[C@@]21C(=O)Nc2ccccc21 ZINC000245247966 572221445 /nfs/dbraw/zinc/22/14/45/572221445.db2.gz ZWUKXFVQPKWIQI-WPQKMFINSA-N 0 1 595.518 6.757 50 0 KKAAMN Cc1ccc2c(c1)N1[C@H](C=C2)[C@@]2(C(=O)Nc3ccccc32)C(=C(O)c2ccc(F)cc2)[C@H]1C(=O)c1ccccc1 ZINC000245309138 572227132 /nfs/dbraw/zinc/22/71/32/572227132.db2.gz BORWYOQJADXEQG-HEFUCBFLSA-N 0 1 528.583 5.990 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)C(=C(O)c1ccccc1F)[C@]21C(=O)Nc2ccccc21 ZINC000245309742 572227454 /nfs/dbraw/zinc/22/74/54/572227454.db2.gz FXNTZKVFCSKVPN-ACIRYHQQSA-N 0 1 508.593 5.804 50 0 KKAAMN Cc1ccc2c(c1)N1[C@H](C(=O)c3ccccc3)C(=C(O)c3ccc(Cl)cc3)[C@]3(C(=O)Nc4ccccc43)[C@@H]1C=C2 ZINC000245309449 572227537 /nfs/dbraw/zinc/22/75/37/572227537.db2.gz CYUVEEDKXBYBAR-CTMYTVLESA-N 0 1 545.038 6.505 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(=C(O)c2ccccc2)[C@@]12C(=O)Nc1ccccc12 ZINC000245309771 572227576 /nfs/dbraw/zinc/22/75/76/572227576.db2.gz GEVDKQLPVVXEBG-CILKRHGOSA-N 0 1 530.649 6.303 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2C(=C(O)c3ccncc3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000245310116 572228042 /nfs/dbraw/zinc/22/80/42/572228042.db2.gz HYGHLBUQCYKRDY-DDWAFBAVSA-N 0 1 539.635 5.945 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1Cl)C(=C(O)c1ccccc1)[C@]21C(=O)Nc2ccccc21 ZINC000245310372 572228064 /nfs/dbraw/zinc/22/80/64/572228064.db2.gz IMJXXWXDHQVWRC-YUAOJYLXSA-N 0 1 545.038 6.586 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245310098 572228227 /nfs/dbraw/zinc/22/82/27/572228227.db2.gz HOYVGSDKIFQSRO-ZQOCDUSVSA-N 0 1 504.630 5.892 50 0 KKAAMN O=C(c1ccccc1F)[C@@H]1C(=C(O)c2ccc3c(c2)OCO3)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000245327758 572234002 /nfs/dbraw/zinc/23/40/02/572234002.db2.gz QLGRIRDUKWOJIW-HPNWTYDNSA-N 0 1 558.565 5.411 50 0 KKAAMN CCCCc1ccc(C(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000245327556 572234153 /nfs/dbraw/zinc/23/41/53/572234153.db2.gz KMBSGQASVNVNGI-SLGOVJDISA-N 0 1 547.740 5.941 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccc(CC(C)C)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)c1 ZINC000245328169 572234864 /nfs/dbraw/zinc/23/48/64/572234864.db2.gz SQNVYPDRDQGODL-QGJGWMSESA-N 0 1 596.727 7.140 50 0 KKAAMN O=C(NCc1ccccc1)[C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247459642 572242152 /nfs/dbraw/zinc/24/21/52/572242152.db2.gz AKGNESKOKPLXHH-NRFANRHFSA-N 0 1 503.444 5.316 50 0 KKAAMN O=C(NCc1ccccc1)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247459652 572242160 /nfs/dbraw/zinc/24/21/60/572242160.db2.gz AKGNESKOKPLXHH-OAQYLSRUSA-N 0 1 503.444 5.316 50 0 KKAAMN O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247488993 572242439 /nfs/dbraw/zinc/24/24/39/572242439.db2.gz LSHYSZGKDSNJPX-HSZRJFAPSA-N 0 1 521.492 5.962 50 0 KKAAMN O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247521712 572242787 /nfs/dbraw/zinc/24/27/87/572242787.db2.gz XTUSRJUTTTZKFL-QGZVFWFLSA-N 0 1 541.852 6.431 50 0 KKAAMN O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247520212 572242877 /nfs/dbraw/zinc/24/28/77/572242877.db2.gz XDXKPCHNAYDVIP-KRWDZBQOSA-N 0 1 541.852 6.431 50 0 KKAAMN O=C(NCc1ccccc1)[C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247526614 572242899 /nfs/dbraw/zinc/24/28/99/572242899.db2.gz ZKUYSKBEBNXWOD-NRFANRHFSA-N 0 1 503.444 5.316 50 0 KKAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000247851198 572246392 /nfs/dbraw/zinc/24/63/92/572246392.db2.gz IUMSIEOZJKZUJC-JOCHJYFZSA-N 0 1 626.521 6.368 50 0 KKAAMN Cc1cccc(C)c1N1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000247860888 572246842 /nfs/dbraw/zinc/24/68/42/572246842.db2.gz GDKDCEAUVKOTPW-VWLOTQADSA-N 0 1 525.672 5.342 50 0 KKAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000247871733 572247084 /nfs/dbraw/zinc/24/70/84/572247084.db2.gz QYKGWKIXURMSDN-NRFANRHFSA-N 0 1 627.414 6.656 50 0 KKAAMN COc1ccc(Cn2c(CN3CCC[C@@H](C(=O)N4CCN(c5cccc(Cl)c5Cl)CC4)C3)nc3ccccc32)cc1 ZINC000247880064 572247876 /nfs/dbraw/zinc/24/78/76/572247876.db2.gz IVNMSAAPOHKQCN-XMMPIXPASA-N 0 1 592.571 5.961 50 0 KKAAMN COc1ccc(Cn2c(CN3CCC[C@H](C(=O)N4CCN(c5ccc(C)c(C)c5)CC4)C3)nc3ccccc32)cc1 ZINC000247910069 572249169 /nfs/dbraw/zinc/24/91/69/572249169.db2.gz UERBSOCHHLJTAY-NDEPHWFRSA-N 0 1 551.735 5.271 50 0 KKAAMN O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000247955201 572250567 /nfs/dbraw/zinc/25/05/67/572250567.db2.gz VEFWKOOXXOMUFV-NRFANRHFSA-N 0 1 594.518 5.668 50 0 KKAAMN Cc1cccc(NC(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)c1 ZINC000247989279 572251421 /nfs/dbraw/zinc/25/14/21/572251421.db2.gz LULIRUGBZXRONU-HXUWFJFHSA-N 0 1 503.444 5.947 50 0 KKAAMN CC(C)n1c2ccccc2nc1CN1CCC[C@@H](C(=O)N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000247991704 572251670 /nfs/dbraw/zinc/25/16/70/572251670.db2.gz KORTZXONCHZICR-OAQYLSRUSA-N 0 1 542.511 5.121 50 0 KKAAMN Cc1cccc(N2CCN(C(=O)[C@H]3CCCN(Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)c1 ZINC000248099154 572253529 /nfs/dbraw/zinc/25/35/29/572253529.db2.gz JCJIPFFRMYUZOL-SANMLTNESA-N 0 1 542.127 5.607 50 0 KKAAMN COc1ccccc1N1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000248117846 572254126 /nfs/dbraw/zinc/25/41/26/572254126.db2.gz CAWYTZWQSARKTQ-QHCPKHFHSA-N 0 1 588.550 5.357 50 0 KKAAMN COc1cccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)c1 ZINC000248124670 572254504 /nfs/dbraw/zinc/25/45/04/572254504.db2.gz HBNCXBWIWBXCLK-HSZRJFAPSA-N 0 1 588.550 5.357 50 0 KKAAMN COc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc(C(F)(F)F)ccc4N4CC[C@@H](c5ccccc5)C[C@H]43)C2=O)cc1 ZINC000248138272 572255110 /nfs/dbraw/zinc/25/51/10/572255110.db2.gz OEWAZWLVYAICKM-RXIOXGHVSA-N 0 1 549.549 5.292 50 0 KKAAMN COc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000248145117 572255470 /nfs/dbraw/zinc/25/54/70/572255470.db2.gz SCYMZWGCVQESMG-RUZDIDTESA-N 0 1 558.126 5.307 50 0 KKAAMN Cc1ccc(N2CCN(C(=O)[C@H]3CCCN(Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)cc1C ZINC000248149078 572255591 /nfs/dbraw/zinc/25/55/91/572255591.db2.gz IZDXSWVXMTVZCC-VWLOTQADSA-N 0 1 586.578 5.966 50 0 KKAAMN Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)c1C ZINC000248152944 572255741 /nfs/dbraw/zinc/25/57/41/572255741.db2.gz KNFYZLOWBBUDMA-RUZDIDTESA-N 0 1 525.672 5.342 50 0 KKAAMN CC(C)Cc1ccc(C(O)=C2[C@H](C(=O)c3ccc(Br)cc3)N3c4ccccc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000248195475 572256561 /nfs/dbraw/zinc/25/65/61/572256561.db2.gz PEJWZSVCSMCFQF-DQGIEBHESA-N 0 1 631.570 7.504 50 0 KKAAMN CCCCCc1ccc(C(=O)[C@@H]2[C@H](C(C)=O)N3c4ccccc4C(C)=C[C@@H]3[C@]23c2ccccc2NC3=O)cc1 ZINC000248198452 572256602 /nfs/dbraw/zinc/25/66/02/572256602.db2.gz SHPCEDYVHKRZLQ-MNHGUUTPSA-N 0 1 518.657 6.372 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccc(CC(C)C)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000248204231 572256665 /nfs/dbraw/zinc/25/66/65/572256665.db2.gz YVZIQDUSNTVFNS-GXNLXOAASA-N 0 1 580.728 7.440 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c2ccc(Cl)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000248233895 572256784 /nfs/dbraw/zinc/25/67/84/572256784.db2.gz BHYUNAMVVSPDAI-JIOPRJIZSA-N 0 1 539.075 6.627 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000248265317 572257473 /nfs/dbraw/zinc/25/74/73/572257473.db2.gz NZRGXNYNQIZRMS-WASVBOSJSA-N 0 1 506.602 5.284 50 0 KKAAMN C[C@H](NC(=O)[C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)c1ccccc1 ZINC000248262282 572257478 /nfs/dbraw/zinc/25/74/78/572257478.db2.gz RCSJLSWMZMUQPD-UNMCSNQZSA-N 0 1 517.471 5.877 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c2ccc3c(c2)OCO3)[C@]12c1ccccc1NC2=O ZINC000248269667 572257627 /nfs/dbraw/zinc/25/76/27/572257627.db2.gz PRJYDBXFTUUXMI-DOXAUBBCSA-N 0 1 548.639 5.702 50 0 KKAAMN C[C@@H](NC(=O)[C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)c1ccccc1 ZINC000248274430 572257770 /nfs/dbraw/zinc/25/77/70/572257770.db2.gz XQGNBFUTMDLDSY-IRLDBZIGSA-N 0 1 517.471 5.877 50 0 KKAAMN CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4cc(Br)ccc4N4CCN(Cc5ccccc5)C[C@H]43)C2=O)cc1 ZINC000248288233 572257827 /nfs/dbraw/zinc/25/78/27/572257827.db2.gz HMYBVOZWVICHGA-QCENPCRXSA-N 0 1 587.518 5.282 50 0 KKAAMN Cc1cc2c(c(C)c1)NC(=O)[C@]21N2CCC[C@@H]2[C@H](C(=O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000248332826 572258206 /nfs/dbraw/zinc/25/82/06/572258206.db2.gz JLEJNNHBBFNPSP-XCQPVXNCSA-N 0 1 556.460 5.081 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(=C(O)c1ccc(Cl)cc1)[C@@]21C(=O)Nc2ccccc21 ZINC000248339263 572258449 /nfs/dbraw/zinc/25/84/49/572258449.db2.gz SNBOTEQUDBQPDP-AOFBEVEVSA-N 0 1 545.038 6.586 50 0 KKAAMN CCc1ccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)cc1 ZINC000251921264 572259540 /nfs/dbraw/zinc/25/95/40/572259540.db2.gz ASKZBLJJRVZGOF-HHHXNRCGSA-N 0 1 556.154 5.861 50 0 KKAAMN CCc1ccc(N2CCN(C(=O)[C@H]3CCCN(Cc4nc5ccccc5n4Cc4ccc(OC)cc4)C3)CC2)cc1 ZINC000251975197 572259697 /nfs/dbraw/zinc/25/96/97/572259697.db2.gz DEDUOBRMIYYFDG-NDEPHWFRSA-N 0 1 551.735 5.216 50 0 KKAAMN CCc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3Cc3ccc(OC)cc3)C2)CC1 ZINC000252014929 572259863 /nfs/dbraw/zinc/25/98/63/572259863.db2.gz VCHGAFODUWOKBJ-MUUNZHRXSA-N 0 1 551.735 5.216 50 0 KKAAMN CC(C)c1ccccc1N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000252370347 572260171 /nfs/dbraw/zinc/26/01/71/572260171.db2.gz XPTUSGJIPBGRPB-RUZDIDTESA-N 0 1 600.605 6.472 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3ccc4nc(CC(C)C)[nH]c4c3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000252540564 572263198 /nfs/dbraw/zinc/26/31/98/572263198.db2.gz PMWVQZAGFDZLSS-AREMUKBSSA-N 0 1 641.769 5.769 50 0 KKAAMN COc1ccc(Nc2nc(N=NCc3ccc(-c4cccc(Cl)c4)o3)nc(NCc3ccco3)n2)cc1 ZINC000252636702 572271973 /nfs/dbraw/zinc/27/19/73/572271973.db2.gz XLBVANBAJVSKID-UHFFFAOYSA-N 0 1 515.961 6.188 50 0 KKAAMN O=c1c(=Cc2cc(Cl)cc(Cl)c2O)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000252668905 572274292 /nfs/dbraw/zinc/27/42/92/572274292.db2.gz FWVYMZXRYVJDSE-QFIPXVFZSA-N 0 1 511.455 5.393 50 0 KKAAMN C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CCN([C@H](c5ccccc5)c5ccc(Cl)cc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000252693619 572281505 /nfs/dbraw/zinc/28/15/05/572281505.db2.gz FGXQERORDNVKRX-QUWZXCSNSA-N 0 1 535.128 5.332 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2[C@H](C(=O)OC(c3ccccc3)c3ccccc3)N3c4ccccc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000253389837 572283445 /nfs/dbraw/zinc/28/34/45/572283445.db2.gz QNJZVDBFOWNGGF-LFMLTOHYSA-N 0 1 632.716 7.001 50 0 KKAAMN CC(=O)c1c(O)c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1ccc(OCCc2ccc3c(c2)CCO3)cc1 ZINC000253407050 572286547 /nfs/dbraw/zinc/28/65/47/572286547.db2.gz JMPPUVBEIYOTAN-JOCHJYFZSA-N 0 1 526.541 5.007 50 0 KKAAMN COc1ccc(CCNC(=O)C[C@H]2c3cccnc3Oc3cc(=O)c4c(O)cc(-c5ccccc5)oc-4c32)cc1 ZINC000253411982 572287636 /nfs/dbraw/zinc/28/76/36/572287636.db2.gz PMOCWJBQLGYRFO-QHCPKHFHSA-N 0 1 534.568 5.556 50 0 KKAAMN Cc1ccc([C@@H]2CC(c3cccc(N(C)C)c3)=NN2c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)cc1 ZINC000253429895 572289351 /nfs/dbraw/zinc/28/93/51/572289351.db2.gz DLSSABDSAUDJEW-PMERELPUSA-N 0 1 518.064 7.680 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2[C@H](C(=O)OC(c3ccccc3)c3ccccc3)N3c4ccccc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1OC ZINC000253487340 572290472 /nfs/dbraw/zinc/29/04/72/572290472.db2.gz IYERFCUYSKPHJI-WKTYYWCXSA-N 0 1 662.742 7.010 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccc3c(c2)OCO3)[C@@]12C(=O)Nc1ccccc12 ZINC000253488106 572291279 /nfs/dbraw/zinc/29/12/79/572291279.db2.gz XCICHDJMQPMFRE-ZHTWWQSJSA-N 0 1 568.629 5.970 50 0 KKAAMN Cc1ccc2c(c1)N1[C@H](C=C2)[C@@]2(C(=O)Nc3ccccc32)C(=C(O)c2ccc3c(c2)OCO3)[C@H]1C(=O)c1ccccc1 ZINC000253488190 572291412 /nfs/dbraw/zinc/29/14/12/572291412.db2.gz ZBKAONJLZFUVIC-FKGBSIOTSA-N 0 1 554.602 5.580 50 0 KKAAMN CCCc1ccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)cc1 ZINC000253607345 572300950 /nfs/dbraw/zinc/30/09/50/572300950.db2.gz OQJGNVHGCCEQBU-AREMUKBSSA-N 0 1 600.605 6.301 50 0 KKAAMN O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000253615534 572301362 /nfs/dbraw/zinc/30/13/62/572301362.db2.gz MEQLVTFDKPLPRM-OAQYLSRUSA-N 0 1 655.424 6.291 50 0 KKAAMN O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000253615534 572301363 /nfs/dbraw/zinc/30/13/63/572301363.db2.gz MEQLVTFDKPLPRM-OAQYLSRUSA-N 0 1 655.424 6.291 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C(=O)Nc3n[nH]c(CCC4CCCC4)n3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000409413714 1069809091 /nfs/dbraw/zinc/80/90/91/1069809091.db2.gz SQNZABIPTKALOQ-VVFBEHOQSA-N 0 1 646.789 5.179 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C(=O)Nc3nc(CCC4CCCC4)n[nH]3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000409413714 1069809099 /nfs/dbraw/zinc/80/90/99/1069809099.db2.gz SQNZABIPTKALOQ-VVFBEHOQSA-N 0 1 646.789 5.179 50 0 KKAAMN COC(=O)C[C@@H](c1ccc(C(F)(F)F)cc1)c1c(O)c(C(C)=O)cc([C@H]2OCc3cnc(C)c(O)c32)c1O ZINC000409415377 1069809424 /nfs/dbraw/zinc/80/94/24/1069809424.db2.gz DMIZCDRXPXQUFD-HFJWLAOPSA-N 0 1 531.483 5.043 50 0 KKAAMN C[N@@H+](Cc1cccc(OC[C@H]2CCCN(C(=O)c3cc(-c4ccccc4)n[nH]3)C2)c1)Cc1ccc2ncccc2c1 ZINC000101936670 1069824159 /nfs/dbraw/zinc/82/41/59/1069824159.db2.gz JBLOXHQFXNLXLO-MHZLTWQESA-N 0 1 545.687 6.188 50 0 KKAAMN CCCCCc1ccc(C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C=C[C@@H]3[C@]23c2ccccc2NC3=O)cc1 ZINC000524735304 1069839640 /nfs/dbraw/zinc/83/96/40/1069839640.db2.gz PWNHKPOEKRXUKM-IJIJIXBQSA-N 0 1 560.738 7.316 50 0 KKAAMN COc1ccc(NC=C2C(=O)N(c3cccc(S(=O)(=O)Nc4ccccc4OC)c3)C(=O)c3ccccc32)cc1Cl ZINC000103004417 1070970036 /nfs/dbraw/zinc/97/00/36/1070970036.db2.gz IGQWEUXJJGGADJ-MOHJPFBDSA-N 0 1 590.057 5.798 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC=C2c3ccccc3C(=O)N(c3ccc(C)cc3C)C2=O)c1 ZINC000103004918 1070971456 /nfs/dbraw/zinc/97/14/56/1070971456.db2.gz IWRGDAHXVCVACY-XHPQRKPJSA-N 0 1 553.640 5.753 50 0 KKAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c(CCC2CCCC2)n1 ZINC000888089000 1071057341 /nfs/dbraw/zinc/05/73/41/1071057341.db2.gz BVMLCXLUJCAZQK-BYDWRKFQSA-N 0 1 660.816 5.569 50 0 KKAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(CCC2CCCC2)n[nH]1 ZINC000888089000 1071057347 /nfs/dbraw/zinc/05/73/47/1071057347.db2.gz BVMLCXLUJCAZQK-BYDWRKFQSA-N 0 1 660.816 5.569 50 0 KKAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c(CCc2c[nH]c3ccccc23)n1 ZINC000888089319 1071059234 /nfs/dbraw/zinc/05/92/34/1071059234.db2.gz VIWPEBMGGLTDAF-MCHNNWGCSA-N 0 1 707.832 5.713 50 0 KKAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(CCc2c[nH]c3ccccc23)n[nH]1 ZINC000888089319 1071059249 /nfs/dbraw/zinc/05/92/49/1071059249.db2.gz VIWPEBMGGLTDAF-MCHNNWGCSA-N 0 1 707.832 5.713 50 0 KKAAMN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c(CCc2ccc(OC)c(OC)c2)n1 ZINC000888089855 1071062439 /nfs/dbraw/zinc/06/24/39/1071062439.db2.gz KYPPZUHEYJBGDV-VHMPYBCVSA-N 0 1 728.847 5.249 50 0 KKAAMN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(CCc2ccc(OC)c(OC)c2)n[nH]1 ZINC000888089855 1071062453 /nfs/dbraw/zinc/06/24/53/1071062453.db2.gz KYPPZUHEYJBGDV-VHMPYBCVSA-N 0 1 728.847 5.249 50 0 KKAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(-c2ccccc2OC)n[nH]1 ZINC000888089464 1071060444 /nfs/dbraw/zinc/06/04/44/1071060444.db2.gz FKNLUOXXSOTURF-ARWBUCJFSA-N 0 1 670.767 5.122 50 0 KKAAMN CCc1oc2cc(S(=O)(=O)Nc3ccc(S(N)(=O)=O)cc3)ccc2c1C(=O)c1cc(Br)c(OC)c(Br)c1 ZINC000575372235 1071137010 /nfs/dbraw/zinc/13/70/10/1071137010.db2.gz MFWYCIWYQMIULC-UHFFFAOYSA-N 0 1 672.373 5.208 50 0 KKAAMN CN(Cc1ccsc1)Cc1cccc(OC2CCN(C(=O)c3cccc(-c4ccc(F)cc4)c3)CC2)c1 ZINC000014986486 1071246016 /nfs/dbraw/zinc/24/60/16/1071246016.db2.gz CDHPBIZNWMBFGE-UHFFFAOYSA-N 0 1 514.666 6.870 50 0 KKAAMN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c(CCC2CCCC2)n1 ZINC000604403882 1071267866 /nfs/dbraw/zinc/26/78/66/1071267866.db2.gz BVMLCXLUJCAZQK-YARCDQIQSA-N 0 1 660.816 5.569 50 0 KKAAMN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(CCC2CCCC2)n[nH]1 ZINC000604403882 1071267872 /nfs/dbraw/zinc/26/78/72/1071267872.db2.gz BVMLCXLUJCAZQK-YARCDQIQSA-N 0 1 660.816 5.569 50 0 KKAAMN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1n[nH]c(CCc2ccc(OC)c(OC)c2)n1 ZINC000604405140 1071272038 /nfs/dbraw/zinc/27/20/38/1071272038.db2.gz KYPPZUHEYJBGDV-CGKUCKGESA-N 0 1 728.847 5.249 50 0 KKAAMN CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(CCc2ccc(OC)c(OC)c2)n[nH]1 ZINC000604405140 1071272051 /nfs/dbraw/zinc/27/20/51/1071272051.db2.gz KYPPZUHEYJBGDV-CGKUCKGESA-N 0 1 728.847 5.249 50 0 KKAAMN Cc1oc(-c2cccc(C)c2)nc1CN1CCC(C(=O)N2CCC(C)(c3noc(C4CC4)n3)CC2)CC1 ZINC000581783859 1071289554 /nfs/dbraw/zinc/28/95/54/1071289554.db2.gz IQCRANHOQOLACE-UHFFFAOYSA-N 0 1 503.647 5.011 50 0 KKAAMN COc1ccc(-c2cc(O)c3c(=O)cc4c(c-3o2)[C@@H](c2ccc(OC)c(OC(C)C)c2)CC(=O)O4)cc1O ZINC000217914298 1071294051 /nfs/dbraw/zinc/29/40/51/1071294051.db2.gz AMLCPQUTXNHDEU-QGZVFWFLSA-N 0 1 518.518 5.117 50 0 biogenic KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccc(F)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4cc(C)ccc4N32)c1 ZINC000002589120 1071300530 /nfs/dbraw/zinc/30/05/30/1071300530.db2.gz WPJASERLAZFYKL-RCFASBGUSA-N 0 1 572.636 6.389 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 ZINC000103015423 1071328316 /nfs/dbraw/zinc/32/83/16/1071328316.db2.gz ZFPLJHYLGLENTQ-MOSHPQCFSA-N 0 1 568.630 6.140 50 0 KKAAMN O=[P@](/C=C(/Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1ncc(Cc2ccc(SC(F)F)cc2)s1 ZINC000105599101 1071339583 /nfs/dbraw/zinc/33/95/83/1071339583.db2.gz SHDGSGLUWRCWCR-KGOJTIBSSA-N 0 1 593.488 10.213 50 0 KKAAMN CCC(C)(C)[C@@H]1CC[C@@]2(N3CCOCC3)Oc3cc4ccccc4c(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)c3[C@H]2C1 ZINC000248202777 1072831982 /nfs/dbraw/zinc/83/19/82/1072831982.db2.gz XHWQZMMOCBYBMU-PCFFTZKOSA-N 0 1 579.719 6.290 50 0 KKAAMN O=[P@@](/C=C(/Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000097984337 1072840522 /nfs/dbraw/zinc/84/05/22/1072840522.db2.gz RRNBXQGPRXVCPG-XWFQURHXSA-N 0 1 603.895 9.306 50 0 KKAAMN N#CC1=C([S-])N[C@](O)(c2ccccc2)[C@@H]([n+]2ccc3ccccc3c2)[C@H]1c1cccc(I)c1 ZINC000254305576 1072846065 /nfs/dbraw/zinc/84/60/65/1072846065.db2.gz JGBVALJFVXWYQO-KLJDGLGGSA-O 0 1 562.456 5.170 50 0 KKAAMN Cc1cc(C=N/N=C2\NC(=O)C(Cc3ccc(SC(F)F)cc3)S2)c(C)n1-c1cc(Cl)ccc1Cl ZINC000254758279 1072876822 /nfs/dbraw/zinc/87/68/22/1072876822.db2.gz CRAHTEXFISTKLA-NRFANRHFSA-N 0 1 553.487 6.880 50 0 KKAAMN O=C(NN=C1C[C@@H](c2ccccc2)Oc2ccccc21)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000254788388 1072878943 /nfs/dbraw/zinc/87/89/43/1072878943.db2.gz QVKPRSJCSTVDLI-SANMLTNESA-N 0 1 566.466 6.452 50 0 KKAAMN O=C(NN=Cc1cc(Br)cc(Br)c1O)c1cc(-c2ccccn2)nc2ccccc21 ZINC000254865921 1072885978 /nfs/dbraw/zinc/88/59/78/1072885978.db2.gz YFWUPVNEUBIGQJ-UHFFFAOYSA-N 0 1 526.188 5.291 50 0 KKAAMN Brc1ccc(-c2nc(-c3ccc(Oc4ccc(-c5[nH]c(-c6ccc(Br)cc6)nc5-c5ccccc5)cc4)cc3)c(-c3ccccc3)[nH]2)cc1 ZINC000150464096 1072904041 /nfs/dbraw/zinc/90/40/41/1072904041.db2.gz YNMRNHDPEVYBRL-UHFFFAOYSA-N 0 1 764.521 12.452 50 0 KKAAMN Brc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Oc4ccc(-c5[nH]c(-c6ccc(Br)cc6)nc5-c5ccccc5)cc4)cc3)[nH]2)cc1 ZINC000150464096 1072904057 /nfs/dbraw/zinc/90/40/57/1072904057.db2.gz YNMRNHDPEVYBRL-UHFFFAOYSA-N 0 1 764.521 12.452 50 0 KKAAMN C[C@@H]1CC[C@@H](c2ccoc2)N2[C@@H](O)[C@]3(CS[C@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@H+]3[C@@H]4O)CC[C@@H]12 ZINC001501058422 1072922402 /nfs/dbraw/zinc/92/24/02/1072922402.db2.gz DYEOLAMWQVWASS-QMARKCQSSA-N 0 1 526.743 5.943 50 0 KKAAMN CCC(=O)N1c2ccc(C(=O)c3ccccc3)cc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000864959 551552362 /nfs/dbraw/zinc/55/23/62/551552362.db2.gz FTHDOMMRUHVGAD-GDLZYMKVSA-N 0 1 523.589 6.379 50 0 KKAAMN CCOc1ccc2c(c1)-c1c(ssc1=Nc1ccc(S(=O)(=O)Nc3nccc(C)n3)cc1)C(C)(C)N2 ZINC000001762836 551694758 /nfs/dbraw/zinc/69/47/58/551694758.db2.gz IFDKNVFDVXVWNI-UHFFFAOYSA-N 0 1 539.708 5.668 50 0 KKAAMN Cc1ccc(/C=C2\CN(C)CC3=C2N=C2SC=C(c4ccc(Br)cc4)N2[C@@H]3c2ccc(C)cc2)cc1 ZINC000001826021 551709973 /nfs/dbraw/zinc/70/99/73/551709973.db2.gz YNMDWUYVHVQQAK-ZMJKQRLJSA-N 0 1 554.557 7.807 50 0 KKAAMN O=C(Oc1ccc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)cc1)c1ccccc1 ZINC000001872377 551719945 /nfs/dbraw/zinc/71/99/45/551719945.db2.gz YRTFIEWOVFCHFC-PFBJBMPXSA-N 0 1 569.411 5.719 50 0 KKAAMN O=C(Nc1ccccc1)[C@@H]1[C@H](C(=O)c2ccc(F)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000002194043 551791538 /nfs/dbraw/zinc/79/15/38/551791538.db2.gz NDHJEWNVIZTEAB-YGGCMVMVSA-N 0 1 529.571 5.438 50 0 KKAAMN CCCCOc1ccc2nc(N[C@](NC(=O)c3ccc(Cl)cc3Cl)(C(=O)OC)C(F)(F)F)sc2c1 ZINC000002244632 551799345 /nfs/dbraw/zinc/79/93/45/551799345.db2.gz UNCMVNVLWVKTJA-OAQYLSRUSA-N 0 1 550.386 6.056 50 0 KKAAMN CCOC(=O)c1c(NC(=O)c2cc3ccccc3cc2NS(=O)(=O)c2ccc(C)cc2)sc2c1CCCC2 ZINC000002254650 551802691 /nfs/dbraw/zinc/80/26/91/551802691.db2.gz RHDQZTZWLDTQMW-UHFFFAOYSA-N 0 1 548.686 6.318 50 0 KKAAMN COc1ccc(/C=C(\C#N)C(=O)NC(=O)Nc2c3ccccc3ccc2C(O)(C(F)(F)F)C(F)(F)F)cc1 ZINC000002311404 552091014 /nfs/dbraw/zinc/09/10/14/552091014.db2.gz JQPDMAMVFAYTAZ-FOWTUZBSSA-N 0 1 537.416 5.416 50 0 KKAAMN CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2NS(=O)(=O)c2ccc(C)cc2)sc2c1CCCC2 ZINC000002319221 552093527 /nfs/dbraw/zinc/09/35/27/552093527.db2.gz ITEYVUGLIRVMKJ-UHFFFAOYSA-N 0 1 533.071 5.819 50 0 KKAAMN CCO[P@@](=O)(c1c(F)c(F)c(F)c(F)c1F)[C@H](NC1CCCCC1)c1ccc(Br)cc1 ZINC000002322148 552094397 /nfs/dbraw/zinc/09/43/97/552094397.db2.gz XQHVLQZUBRMASU-BGOLNKOXSA-N 0 1 526.280 6.706 50 0 KKAAMN O=C(Nc1ccc(Cl)cc1)[C@@H]1C(C(=O)c2ccco2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000002340938 552098088 /nfs/dbraw/zinc/09/80/88/552098088.db2.gz CZMMBSYTMMDSBZ-ALBQUZEBSA-N 0 1 535.987 5.545 50 0 KKAAMN O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@H](C(=O)c2ccco2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000002340938 552098089 /nfs/dbraw/zinc/09/80/89/552098089.db2.gz CZMMBSYTMMDSBZ-ALBQUZEBSA-N 0 1 535.987 5.545 50 0 KKAAMN CCOc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN(C)C)ccc1OCc1ccccc1Cl ZINC000002413849 552114242 /nfs/dbraw/zinc/11/42/42/552114242.db2.gz XFAUTTJDBUGNOW-HHHXNRCGSA-N 0 1 533.024 5.531 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1OC ZINC000002418362 552115517 /nfs/dbraw/zinc/11/55/17/552115517.db2.gz LRMJHMLBWTVHRI-NXCFDTQHSA-N 0 1 541.431 6.232 50 0 KKAAMN CCOc1cc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000002424123 552116431 /nfs/dbraw/zinc/11/64/31/552116431.db2.gz KPHCPOAPZBEPFP-JBOQNHBVSA-N 0 1 538.575 5.855 50 0 KKAAMN CCOc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCN(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000002436445 552118786 /nfs/dbraw/zinc/11/87/86/552118786.db2.gz GGQIYIJKIBHKIH-HHHXNRCGSA-N 0 1 533.024 5.531 50 0 KKAAMN Cc1cccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)c3ccccc3n2)c1 ZINC000002746911 552174044 /nfs/dbraw/zinc/17/40/44/552174044.db2.gz DNBJZVSWICJVOV-UHFFFAOYSA-N 0 1 509.591 5.362 50 0 KKAAMN C[N@@H+](CCCNC(=O)c1ccc(Cn2c(=O)c3cc(Br)ccc3[n-]c2=S)cc1)Cc1ccccc1 ZINC000002973644 552245463 /nfs/dbraw/zinc/24/54/63/552245463.db2.gz UUPAOBCAVNKZEH-UHFFFAOYSA-N 0 1 551.510 5.122 50 0 KKAAMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccccc4)nc4ccccc43)cc2)n1 ZINC000003166643 552298308 /nfs/dbraw/zinc/29/83/08/552298308.db2.gz ZKZJBGVZECGCQS-UHFFFAOYSA-N 0 1 509.591 5.362 50 0 KKAAMN COc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(=O)OCC(=O)c3cccs3)ccc2Cl)cc1 ZINC000003169579 552299034 /nfs/dbraw/zinc/29/90/34/552299034.db2.gz KTMAAUQAZFJJNU-UHFFFAOYSA-N 0 1 585.059 5.503 50 0 KKAAMN O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000003215190 552306545 /nfs/dbraw/zinc/30/65/45/552306545.db2.gz RKAAUCFPUCRLEQ-UHFFFAOYSA-N 0 1 552.121 5.750 50 0 KKAAMN CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2c(F)c(F)c(F)c(F)c2F)c1 ZINC000003226022 552312582 /nfs/dbraw/zinc/31/25/82/552312582.db2.gz OVLBYIVOPOUUQP-UHFFFAOYSA-N 0 1 504.864 5.503 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1ccc2oc(SCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)nc2c1 ZINC000003269571 552331342 /nfs/dbraw/zinc/33/13/42/552331342.db2.gz KEYGWINCCCKYND-UHFFFAOYSA-N 0 1 572.879 6.328 50 0 KKAAMN COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)NCCc3ccc(Cl)cc3)ccc2C)cc1Cl ZINC000003325312 552356886 /nfs/dbraw/zinc/35/68/86/552356886.db2.gz BVNRSTMNOLJIBV-UHFFFAOYSA-N 0 1 523.438 5.092 50 0 KKAAMN CN(Cc1cccc(Cl)c1)C(=O)c1ccc(NS(=O)(=O)c2cc(Br)ccc2Br)cc1 ZINC000003358388 552370090 /nfs/dbraw/zinc/37/00/90/552370090.db2.gz YEFCJKUUOQQPDG-UHFFFAOYSA-N 0 1 572.706 5.938 50 0 KKAAMN CCOC(=O)c1c(NC=C2c3ccccc3C(=O)N(c3ccc(C(=O)OCC)cc3)C2=O)sc2c1CCN(CC)C2 ZINC000003415097 552382604 /nfs/dbraw/zinc/38/26/04/552382604.db2.gz NLLAMQKGDGFIRS-JJIBRWJFSA-N 0 1 573.671 5.120 50 0 KKAAMN COc1ccc(C(OC[C@H](O)CN(C)Cc2cc(Br)ccc2OC)c2ccc(OC)cc2)cc1 ZINC000003495904 552390639 /nfs/dbraw/zinc/39/06/39/552390639.db2.gz RGXBRPGHYPIBKJ-HSZRJFAPSA-N 0 1 530.459 5.074 50 0 KKAAMN COc1ccccc1Nc1c2cc(NC(=O)/C=C/c3ccc(OC(C)C)cc3)ccc2nc2c1CCCC2 ZINC000003646140 552401680 /nfs/dbraw/zinc/40/16/80/552401680.db2.gz NNKAGEFVABNLBA-XMHGGMMESA-N 0 1 507.634 7.305 50 0 KKAAMN Cc1ccccc1-c1c(-c2ccc(OCc3cnn(-c4ccccc4)c3)c(C)c2O)[nH]nc1C(F)(F)F ZINC000004531317 552463167 /nfs/dbraw/zinc/46/31/67/552463167.db2.gz ILQXNBPKVRAHCT-UHFFFAOYSA-N 0 1 504.512 6.850 50 0 KKAAMN Cc1c(C)c(S(=O)(=O)NC(=[NH2+])NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])c(C)c2c1OC(C)(C)CC2 ZINC000004544420 552465265 /nfs/dbraw/zinc/46/52/65/552465265.db2.gz QTWZCODKTSUZJN-GDLZYMKVSA-N 0 1 662.809 5.290 50 0 KKAAMN COc1cccc(NC(=O)[C@H](OC(=O)c2ccccc2NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2)c1 ZINC000004641299 552470411 /nfs/dbraw/zinc/47/04/11/552470411.db2.gz KVSQIIKHBLHDCS-AREMUKBSSA-N 0 1 595.471 5.795 50 0 KKAAMN CC(C)c1ccc(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)N(CCc4ccccc4)Cc4ccccc4)c(=O)c3c2)cc1 ZINC000004654504 552471393 /nfs/dbraw/zinc/47/13/93/552471393.db2.gz ZNKWRMWNIHTTDZ-UHFFFAOYSA-N 0 1 593.749 6.362 50 0 KKAAMN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCCN2CCN(c3ccccc3)CC2)cc1 ZINC000004762072 552478532 /nfs/dbraw/zinc/47/85/32/552478532.db2.gz KQKAORAWBUFXCE-GDLZYMKVSA-N 0 1 606.192 5.282 50 0 KKAAMN O=C(C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1CCCN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(Cl)cc1 ZINC000004762176 552479073 /nfs/dbraw/zinc/47/90/73/552479073.db2.gz GDXPOVZWHIHCQM-MHZLTWQESA-N 0 1 614.574 5.676 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ccccc3)C2=O)c1 ZINC000005941437 552514067 /nfs/dbraw/zinc/51/40/67/552514067.db2.gz GZUFJVCWDHVFMZ-NCELDCMTSA-N 0 1 525.586 5.136 50 0 KKAAMN CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccccc2NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1C ZINC000006144765 552547330 /nfs/dbraw/zinc/54/73/30/552547330.db2.gz YNGAEWPSTXHCKQ-INIZCTEOSA-N 0 1 566.554 5.056 50 0 KKAAMN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000006146951 552548676 /nfs/dbraw/zinc/54/86/76/552548676.db2.gz BZURKKNVFXJFPX-UHFFFAOYSA-N 0 1 500.201 5.809 50 0 KKAAMN COc1cc(-c2nc(-c3ccc(C(=O)c4ccc(F)cc4)cc3)c(-c3ccccc3)[nH]2)cc(OC)c1OC ZINC000006458885 552590036 /nfs/dbraw/zinc/59/00/36/552590036.db2.gz HJDWJYMLQCTJGW-UHFFFAOYSA-N 0 1 508.549 6.807 50 0 KKAAMN CCC(C)(C)c1ccc(OCC(=O)Nc2ccc(-n3[nH]c(Nc4ccccc4Cl)c(Sc4nnnn4-c4ccccc4)c3=O)cc2)c(C(C)(C)CC)c1 ZINC000008399358 553001131 /nfs/dbraw/zinc/00/11/31/553001131.db2.gz XHNNRTQZUIEHMZ-DHUJRADRSA-N 0 1 751.357 8.642 50 0 KKAAMN CC[C@@H]1N[C@@]2(c3ccccc3N(Cc3cccc4ccccc43)C2=O)[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]21 ZINC000008439477 553035764 /nfs/dbraw/zinc/03/57/64/553035764.db2.gz ZRZZJVAOTLZBAC-ODQHTRFYSA-N 0 1 536.031 5.423 50 0 KKAAMN COc1ccc(-c2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)c(-c3ccc(C)cc3)[nH]2)cc1OC ZINC000008594762 553087621 /nfs/dbraw/zinc/08/76/21/553087621.db2.gz YFQYUIJXNDWYAA-UHFFFAOYSA-N 0 1 517.607 5.571 50 0 KKAAMN COc1cc(-c2nc(-c3ccccc3)c(SCC(=O)Nc3ccc4c(c3)OCO4)[nH]2)cc(OC)c1OC ZINC000008594686 553087651 /nfs/dbraw/zinc/08/76/51/553087651.db2.gz HZCJVGYNMDOTRH-UHFFFAOYSA-N 0 1 519.579 5.229 50 0 KKAAMN COc1cc(-c2nc(SCC(=O)Nc3ccc(C)cc3)c(-c3ccc(F)cc3)[nH]2)cc(OC)c1OC ZINC000008594785 553088099 /nfs/dbraw/zinc/08/80/99/553088099.db2.gz FOOPUZFYAJXZTE-UHFFFAOYSA-N 0 1 507.587 5.948 50 0 KKAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)c3cnn(-c4ccc(F)cc4)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1 ZINC000008596333 553090032 /nfs/dbraw/zinc/09/00/32/553090032.db2.gz HYTOVMVVXQBTQN-UHFFFAOYSA-N 0 1 618.798 5.685 50 0 KKAAMN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)N2CCN(c3cc(C)ccc3C)CC2)CC1 ZINC000008614730 553102083 /nfs/dbraw/zinc/10/20/83/553102083.db2.gz OAOBYOLBDFWMTN-UHFFFAOYSA-N 0 1 507.078 5.481 50 0 KKAAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Cl)c(S(=O)(=O)N(CC)c2ccccc2)c1 ZINC000008693929 553118844 /nfs/dbraw/zinc/11/88/44/553118844.db2.gz BCOMZZFIDUXKCH-UHFFFAOYSA-N 0 1 573.918 5.517 50 0 aggregator KKAAMN O=C1NC(=O)[C@]2(Cc3cc(C(F)(F)F)ccc3N3CCN(c4ccccc4)C[C@H]32)C(=O)N1c1ccccc1 ZINC000008695463 553121666 /nfs/dbraw/zinc/12/16/66/553121666.db2.gz XWSJDULEXRRADF-WNCULLNHSA-N 0 1 520.511 5.066 50 0 KKAAMN COc1cc(Br)cc2c1OC1(CCN(Cc3ccccc3)CC1)N1N=C(c3ccco3)C[C@@H]21 ZINC000008717756 553129141 /nfs/dbraw/zinc/12/91/41/553129141.db2.gz ACIBSFXLHGYEET-QFIPXVFZSA-N 0 1 508.416 5.587 50 0 KKAAMN COc1cc(Br)cc2c1OC1(CCN(Cc3ccccc3)CC1)N1N=C(c3ccco3)C[C@H]21 ZINC000008717755 553129182 /nfs/dbraw/zinc/12/91/82/553129182.db2.gz ACIBSFXLHGYEET-JOCHJYFZSA-N 0 1 508.416 5.587 50 0 KKAAMN CCOc1ccc([C@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1 ZINC000008845241 553165547 /nfs/dbraw/zinc/16/55/47/553165547.db2.gz CVVLYCVYPJCGJT-LJAQVGFWSA-N 0 1 527.621 5.603 50 0 KKAAMN CCOc1cc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2Cc2ccc(F)cc2)ccc1O ZINC000008845500 553165849 /nfs/dbraw/zinc/16/58/49/553165849.db2.gz LAQRVSRQBZQCPK-SANMLTNESA-N 0 1 507.949 5.733 50 0 KKAAMN CCOC(=O)c1sc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)nc1-c1ccccc1 ZINC000008872262 553172933 /nfs/dbraw/zinc/17/29/33/553172933.db2.gz SYMDBBISSFWHOI-UHFFFAOYSA-N 0 1 521.620 5.348 50 0 KKAAMN O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3[nH]2)cc1)c1ccc(Cl)cc1 ZINC000008926238 553191086 /nfs/dbraw/zinc/19/10/86/553191086.db2.gz WLBJJWICAOVTHR-UHFFFAOYSA-N 0 1 501.373 7.041 50 0 KKAAMN Cc1ccc(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000009015634 553200322 /nfs/dbraw/zinc/20/03/22/553200322.db2.gz ITEQSXGFUXVWLH-IDSQFFPFSA-N 0 1 516.622 5.913 50 0 KKAAMN O=C(c1ccccc1)[C@@H]1C(=C(O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000009088463 553208940 /nfs/dbraw/zinc/20/89/40/553208940.db2.gz JCYGMPZIRVWNQW-UUQNIDNHSA-N 0 1 514.556 5.682 50 0 KKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(Cl)c(C)cc4O)c3[C@H]2c2ccc(O)c(OC)c2)cc1 ZINC000009124008 553212888 /nfs/dbraw/zinc/21/28/88/553212888.db2.gz NZJGIFZDMWJRAD-HHHXNRCGSA-N 0 1 519.985 5.255 50 0 KKAAMN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1Cl)c1c3nc(-c4ccccc4O)nn3cnc1O2 ZINC000009242718 553226566 /nfs/dbraw/zinc/22/65/66/553226566.db2.gz OKLPWLQDSBGYLV-HSZRJFAPSA-N 0 1 506.953 5.930 50 0 KKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(Cl)c(C)cc4O)c3[C@H]2c2ccc(OC)cc2)cc1 ZINC000009242950 553226575 /nfs/dbraw/zinc/22/65/75/553226575.db2.gz BYEMXBLDIVOZDU-HHHXNRCGSA-N 0 1 503.986 5.549 50 0 KKAAMN Clc1ccccc1C1=NN2[C@H](C1)c1cc(Br)ccc1OC21CCN(Cc2ccccc2)CC1 ZINC000009272120 553231464 /nfs/dbraw/zinc/23/14/64/553231464.db2.gz UTDMRAJDKWAHBY-RUZDIDTESA-N 0 1 522.874 6.638 50 0 KKAAMN COc1ccc(Cl)c2sc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(Cl)cc3)nc21 ZINC000009325712 553241774 /nfs/dbraw/zinc/24/17/74/553241774.db2.gz ZRCSLVBIOKIJDX-UHFFFAOYSA-N 0 1 508.408 5.665 50 0 KKAAMN COc1ccc([C@@H]2N(c3ccccc3)O[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@]32c2ccccc2)cc1 ZINC000009360778 553248596 /nfs/dbraw/zinc/24/85/96/553248596.db2.gz FNZXIFBKXLEKKS-PVTPYKNESA-N 0 1 510.977 5.722 50 0 KKAAMN COc1ccc([C@@H]2N(c3ccccc3)OC3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@]32c2ccccc2)cc1 ZINC000009360778 553248597 /nfs/dbraw/zinc/24/85/97/553248597.db2.gz FNZXIFBKXLEKKS-PVTPYKNESA-N 0 1 510.977 5.722 50 0 KKAAMN COc1ccccc1C1c2c(C)nn(-c3ccccc3)c2Oc2ncn3nc(-c4ccc(F)cc4)nc3c21 ZINC000009446794 553265713 /nfs/dbraw/zinc/26/57/13/553265713.db2.gz HCOQHQMHBGYEOS-XMMPIXPASA-N 0 1 504.525 5.719 50 0 KKAAMN COc1ccc(-c2nc(-c3ccc(Cl)cc3)c(SCC(=O)Nc3ccc4c(c3)OCCO4)[nH]2)cc1 ZINC000009674220 553294646 /nfs/dbraw/zinc/29/46/46/553294646.db2.gz IRBXKNVJMBJJHE-UHFFFAOYSA-N 0 1 507.999 5.908 50 0 KKAAMN COc1cc(-c2nc(-c3ccc(Cl)cc3)c(SCC(=O)NC3CCCC3)[nH]2)cc(OC)c1OC ZINC000009674134 553294673 /nfs/dbraw/zinc/29/46/73/553294673.db2.gz ICCQBQINYHJDFH-UHFFFAOYSA-N 0 1 502.036 5.574 50 0 KKAAMN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC[C@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000009693927 553299288 /nfs/dbraw/zinc/29/92/88/553299288.db2.gz WLSPIKDJQRSWEH-NRFANRHFSA-N 0 1 513.469 5.518 50 0 KKAAMN C[C@H](c1cccs1)N(C)Cc1cc(-c2ccccc2)ccc1OCC(=O)N1CCN(c2ncccn2)CC1 ZINC000012283406 553356330 /nfs/dbraw/zinc/35/63/30/553356330.db2.gz PWEBFBBPJVDRHP-HSZRJFAPSA-N 0 1 527.694 5.126 50 0 KKAAMN COc1cc2c(cc1OC)C1=NC(=O)[C@@H](Cc3ccccc3)N1C(SCc1ccc(C(F)(F)F)cc1)=N2 ZINC000012951558 553428724 /nfs/dbraw/zinc/42/87/24/553428724.db2.gz JMKAZMIKCUEQMI-OAQYLSRUSA-N 0 1 525.552 5.857 50 0 KKAAMN OC(c1cnc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)s1)(C(F)(F)F)C(F)(F)F ZINC000013304284 553458094 /nfs/dbraw/zinc/45/80/94/553458094.db2.gz FTROKPYYPLPOLQ-UHFFFAOYSA-N 0 1 508.487 6.859 50 0 KKAAMN COc1ccccc1C1c2c(C)nn(-c3ccccc3)c2Oc2ncn3nc(Cc4ccccc4)nc3c21 ZINC000013555589 553471136 /nfs/dbraw/zinc/47/11/36/553471136.db2.gz AHHYEVLKIAZESB-AREMUKBSSA-N 0 1 500.562 5.504 50 0 KKAAMN COc1ccccc1C1=NN2[C@@H](C1)c1cc(Br)ccc1OC21CCN(Cc2ccccc2)CC1 ZINC000013583931 553475929 /nfs/dbraw/zinc/47/59/29/553475929.db2.gz MSJGVPLVRYDSQE-VWLOTQADSA-N 0 1 518.455 5.994 50 0 KKAAMN COc1cc(-c2nc(-c3ccc(Br)cc3)c(-c3ccccc3)[nH]2)ccc1OCc1ccccc1 ZINC000013617694 553478133 /nfs/dbraw/zinc/47/81/33/553478133.db2.gz PWXVPOFALAKPFP-UHFFFAOYSA-N 0 1 511.419 7.761 50 0 KKAAMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Sc3ccc(Cl)cc3)cc2)c1 ZINC000014186162 553506130 /nfs/dbraw/zinc/50/61/30/553506130.db2.gz LJHPEEGJEJFFBZ-OAHLLOKOSA-N 0 1 507.033 5.277 50 0 KKAAMN CSc1ccc2cc(CN[C@H](c3ccccc3)c3ccc(Cl)cc3)c(=O)n(Cc3ccccn3)c2c1 ZINC000014998680 553524625 /nfs/dbraw/zinc/52/46/25/553524625.db2.gz RPZFYAYBFCISBA-GDLZYMKVSA-N 0 1 512.078 6.699 50 0 KKAAMN CCN1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)c(OC)c(Br)c2)N3)C1 ZINC000015947279 553545142 /nfs/dbraw/zinc/54/51/42/553545142.db2.gz DLXBLMWWVMDSEW-MRXNPFEDSA-N 0 1 501.244 5.089 50 0 KKAAMN COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000015947046 553545183 /nfs/dbraw/zinc/54/51/83/553545183.db2.gz RAEGGGVRFWEYEI-HSZRJFAPSA-N 0 1 512.031 5.825 50 0 KKAAMN CC(C)(C)C(=O)[C@@H]1[C@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N21 ZINC000015999279 553549601 /nfs/dbraw/zinc/54/96/01/553549601.db2.gz POGLVPOVFGUXSU-GURVGDRESA-N 0 1 511.021 5.928 50 0 KKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3c4ccccc4ccc3N12 ZINC000016000552 553549949 /nfs/dbraw/zinc/54/99/49/553549949.db2.gz PYVLFAANCGCNQE-FQNXFSSYSA-N 0 1 502.545 5.541 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000016002007 553550117 /nfs/dbraw/zinc/55/01/17/553550117.db2.gz HOYVGSDKIFQSRO-JDONGJSOSA-N 0 1 504.630 5.892 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000017949714 553600701 /nfs/dbraw/zinc/60/07/01/553600701.db2.gz FGOMSAZEUOUEFS-VJGNERBWSA-N 0 1 504.558 5.454 50 0 KKAAMN O=C1Nc2ccc(Cl)cc2[C@@]12C(=C(O)c1ccc(Br)cc1)[C@]1(C(=O)Nc3ccccc31)[C@@H]1CCCN12 ZINC000070686508 553605336 /nfs/dbraw/zinc/60/53/36/553605336.db2.gz PNDSHIATOJKPKN-ZGZOUGAKSA-N 0 1 562.851 5.117 50 0 biogenic KKAAMN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(CC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000018179217 553607452 /nfs/dbraw/zinc/60/74/52/553607452.db2.gz YCFGIEJBOWXYAF-NHKHRBQYSA-N 0 1 514.622 5.878 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccc4c(c3)OCO4)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)c1 ZINC000070687881 553607836 /nfs/dbraw/zinc/60/78/36/553607836.db2.gz GMPLVWGCLIWWDZ-RCFASBGUSA-N 0 1 584.628 5.670 50 0 biogenic KKAAMN CCCc1nc2sc3c(ncnc3N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2c2c1CCC2 ZINC000020358907 553642863 /nfs/dbraw/zinc/64/28/63/553642863.db2.gz OAZBAGDLDAFCAN-UHFFFAOYSA-N 0 1 519.718 6.592 50 0 KKAAMN CC1(C)Cc2nc3sc4c(ncnc4N4CCN(C(c5ccccc5)c5ccccc5)CC4)c3cc2CO1 ZINC000020440853 553649207 /nfs/dbraw/zinc/64/92/07/553649207.db2.gz LEDLYXGSDRCSBU-UHFFFAOYSA-N 0 1 521.690 6.002 50 0 KKAAMN O=C(Nc1sc2c(c1CN1CCN(C(c3ccccc3)c3ccccc3)CC1)CCC2)c1ccc(F)cc1 ZINC000022033211 553723231 /nfs/dbraw/zinc/72/32/31/553723231.db2.gz FXAMGZTXCIPALH-UHFFFAOYSA-N 0 1 525.693 6.535 50 0 KKAAMN COc1ccc(CN2CCN(CCCSc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CC2)c(OC)c1OC ZINC000022453937 553742706 /nfs/dbraw/zinc/74/27/06/553742706.db2.gz GMNFEHDZQAODON-UHFFFAOYSA-N 0 1 544.802 6.313 50 0 KKAAMN O[C@@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000022924904 553767160 /nfs/dbraw/zinc/76/71/60/553767160.db2.gz RZCIBMKUWVZWQH-RUZDIDTESA-N 0 1 529.464 5.007 50 0 KKAAMN CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 ZINC000023247639 553771605 /nfs/dbraw/zinc/77/16/05/553771605.db2.gz ODPGGGTTYSGTGO-UHFFFAOYSA-N 0 1 529.567 5.111 50 0 in-man KKAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 ZINC000097945752 553774634 /nfs/dbraw/zinc/77/46/34/553774634.db2.gz QAROBFUWSVKTMQ-UHFFFAOYSA-N 0 1 536.072 5.635 50 0 KKAAMN COc1cc2c(cc1OC)CN(C(=O)c1ccc(-c3cc(-c4cccc(C(F)(F)F)c4)[nH]n3)cc1)CC2 ZINC000025152493 553796940 /nfs/dbraw/zinc/79/69/40/553796940.db2.gz SJHRRAYMUCXGRV-UHFFFAOYSA-N 0 1 507.512 5.978 50 0 KKAAMN Cc1ccc(-c2cc(C(=O)NCCCN3CCN(CCCNC(=O)c4cc(-c5ccc(C)o5)nc5ccccc54)CC3)c3ccccc3n2)o1 ZINC000097949214 553800423 /nfs/dbraw/zinc/80/04/23/553800423.db2.gz LANNQJPZJBUOJU-UHFFFAOYSA-N 0 1 670.814 6.477 50 0 KKAAMN Cc1ccc(-c2cc(C(=O)NCCCN3CCN(CCCNC(=O)c4cc(-c5ccc(C)s5)nc5ccccc54)CC3)c3ccccc3n2)s1 ZINC000097949270 553800840 /nfs/dbraw/zinc/80/08/40/553800840.db2.gz FDGVNQICBOAKES-UHFFFAOYSA-N 0 1 702.950 7.414 50 0 KKAAMN COc1ccc(-c2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)C4c2ccc(OC)c(OC)c2)cc1 ZINC000097954082 553821223 /nfs/dbraw/zinc/82/12/23/553821223.db2.gz PLSMMTKSNHHUPY-AREMUKBSSA-N 0 1 546.587 5.597 50 0 KKAAMN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1)c1c3nc(-c4cc5ccccc5cc4O)nn3cnc1O2 ZINC000097954169 553821857 /nfs/dbraw/zinc/82/18/57/553821857.db2.gz SGEFSTKZMGHROC-HHHXNRCGSA-N 0 1 522.568 6.430 50 0 KKAAMN Cc1cccc(-n2[nH]c(Cc3ccccc3C)c(C=C3NC(=O)N(Cc4ccc(F)cc4F)C3=O)c2=O)c1C ZINC000097956465 553839016 /nfs/dbraw/zinc/83/90/16/553839016.db2.gz AYNVFBAXRDOIJE-YSMPRRRNSA-N 0 1 528.559 5.465 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4cccc(Cl)c4)c3Oc3ncn4nc(-c5ccccn5)nc4c32)cc1 ZINC000097956619 553840137 /nfs/dbraw/zinc/84/01/37/553840137.db2.gz PTXXNWBZIKCUJB-HSZRJFAPSA-N 0 1 521.968 5.628 50 0 KKAAMN COc1ccc(Cc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)C4c2ccccc2OC)cc1 ZINC000097956689 553840704 /nfs/dbraw/zinc/84/07/04/553840704.db2.gz TVBRYFJUUQZVIV-HHHXNRCGSA-N 0 1 530.588 5.512 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccc(Cl)cc4)c3Oc3ncn4nc(-c5ccncc5)nc4c32)cc1 ZINC000097956707 553840734 /nfs/dbraw/zinc/84/07/34/553840734.db2.gz RLRWRHRLZIONRI-QHCPKHFHSA-N 0 1 521.968 5.628 50 0 KKAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc(-c3ccc(I)cc3)cs2)cc1 ZINC000097957444 553845774 /nfs/dbraw/zinc/84/57/74/553845774.db2.gz DCHSONUPQGJCSW-UHFFFAOYSA-N 0 1 575.453 5.776 50 0 KKAAMN Cc1c(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)c(S(=O)(=O)Nc4cccc(Cl)c4)c3)c2)c(=O)n(-c2ccccc2)n1C ZINC000029493071 553846145 /nfs/dbraw/zinc/84/61/45/553846145.db2.gz JSSQOBIWTQYCAE-UHFFFAOYSA-N 0 1 700.626 5.669 50 0 KKAAMN CN1CCc2cccc3c2[C@@H]1Cc1ccc(OC(=O)c2ccc(F)cc2)c(OC(=O)c2ccc(F)cc2)c1-3 ZINC000031283287 553861252 /nfs/dbraw/zinc/86/12/52/553861252.db2.gz DOABYPDJDXYVHO-VWLOTQADSA-N 0 1 511.524 6.155 50 0 KKAAMN CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCN(C(C)C)C3)cc1 ZINC000097963427 553890165 /nfs/dbraw/zinc/89/01/65/553890165.db2.gz UKQJHXMMXBTSDX-UHFFFAOYSA-N 0 1 582.817 6.464 50 0 KKAAMN COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccc(Nc2nc(C)cc(N3CCCCC3)n2)cc1 ZINC000033078181 553908726 /nfs/dbraw/zinc/90/87/26/553908726.db2.gz PBSHUMHVTNUNEL-UHFFFAOYSA-N 0 1 502.040 5.290 50 0 KKAAMN CC(C)c1ccc(N2C(=O)CS[C@]23c2ccccc2N(CN2CCN(C(c4ccccc4)c4ccccc4)CC2)C3=O)cc1 ZINC000033354288 553929131 /nfs/dbraw/zinc/92/91/31/553929131.db2.gz XLZRLVQDDPECMS-QNGWXLTQSA-N 0 1 602.804 6.454 50 0 KKAAMN Cc1ccc2nc(NC(=O)[C@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCc3ccccc3)sc2c1 ZINC000033355528 553935280 /nfs/dbraw/zinc/93/52/80/553935280.db2.gz IMVZUUWFGZAXND-FQEVSTJZSA-N 0 1 713.335 5.996 50 0 KKAAMN COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCCN3CCN(c4ccc(F)cc4)CC3)C2=S)cc1Cl ZINC000033357113 553946397 /nfs/dbraw/zinc/94/63/97/553946397.db2.gz WAOOZAWAUBQAMS-MHZLTWQESA-N 0 1 628.145 5.170 50 0 KKAAMN CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCCN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000033357117 553946849 /nfs/dbraw/zinc/94/68/49/553946849.db2.gz NVKURPARSUEINQ-SSEXGKCCSA-N 0 1 663.841 5.268 50 0 KKAAMN O=C1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@H](c2ccc(F)cc2)N1c1cccc(C(F)(F)F)c1 ZINC000033358474 553956137 /nfs/dbraw/zinc/95/61/37/553956137.db2.gz XKLZKSYQADFTLJ-VQTJNVASSA-N 0 1 592.159 7.211 50 0 KKAAMN Cc1cc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2cccc(Br)c2)ccc1Br ZINC000033358503 553956295 /nfs/dbraw/zinc/95/62/95/553956295.db2.gz VCCPIHYKOUXRRC-NHCUHLMSSA-N 0 1 677.991 7.886 50 0 KKAAMN CCCN1C(=O)N=NC1SCC(=O)N1N=C2C(=Cc3ccc(OC)cc3)CCC[C@@H]2[C@H]1c1ccc(OC)cc1 ZINC000008685491 561707436 /nfs/dbraw/zinc/70/74/36/561707436.db2.gz TZCDPJMXJYOUEA-WKTQQXIRSA-N 0 1 547.681 5.326 50 0 KKAAMN CC1=NN(c2ccc(C)cc2)C(=O)[C@@]12Cc1cc(C(F)(F)F)ccc1N1CCN(Cc3ccccc3)C[C@@H]12 ZINC000033429004 553959699 /nfs/dbraw/zinc/95/96/99/553959699.db2.gz DCDZBOZBYSWDEO-PXJZQJOASA-N 0 1 518.583 5.670 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC=C2c3ccccc3C(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1N1CCCCC1 ZINC000097980462 553988702 /nfs/dbraw/zinc/98/87/02/553988702.db2.gz WGQAXQNSYJQYGL-JJKYIXSRSA-N 0 1 636.774 6.743 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ccc(C)cc3C)C2=O)c1 ZINC000097980473 553989006 /nfs/dbraw/zinc/98/90/06/553989006.db2.gz KVOPOZLKUYLWIB-LGUFXXKBSA-N 0 1 553.640 5.753 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2[C@@H](C(C)=O)N3c4ccc5ccccc5c4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000034720850 553996172 /nfs/dbraw/zinc/99/61/72/553996172.db2.gz PVSVFJJTMSKTFU-NDQSGYKOSA-N 0 1 514.581 5.411 50 0 KKAAMN Cc1ccc(N2CCCN(Cc3cccc(OC(F)(F)F)c3)C2=O)c(NS(=O)(=O)c2ccccc2)c1 ZINC000034737781 553998457 /nfs/dbraw/zinc/99/84/57/553998457.db2.gz WAYQXOQUCGMGKW-UHFFFAOYSA-N 0 1 519.545 5.527 50 0 KKAAMN Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2N2CCOCC2)c1C ZINC000097982907 554006222 /nfs/dbraw/zinc/00/62/22/554006222.db2.gz YFNZRBWSSMGZKB-UHFFFAOYSA-N 0 1 683.252 6.264 50 0 KKAAMN Cc1nc2cc(N[P@@](=O)(/C=C(/Cl)c3ccccc3)/C=C(\Cl)c3ccccc3)ccc2n1-c1ccccc1 ZINC000097983615 554010364 /nfs/dbraw/zinc/01/03/64/554010364.db2.gz FBOZETJRUJRTRJ-LKZLBIQXSA-N 0 1 544.422 9.499 50 0 KKAAMN CCCCCc1ccc(C(=O)N(CCC)Cc2c(C)nn(-c3ccccc3)c2N2CCN(CC)CC2)cc1 ZINC000034814864 554011863 /nfs/dbraw/zinc/01/18/63/554011863.db2.gz QIFBCWHQUSHLGM-UHFFFAOYSA-N 0 1 515.746 6.108 50 0 KKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)C(=O)c1cccc(Br)c1 ZINC000034814866 554011883 /nfs/dbraw/zinc/01/18/83/554011883.db2.gz QGWZKIFIIPNHMX-UHFFFAOYSA-N 0 1 524.507 5.138 50 0 KKAAMN Cc1ccc(NC(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000034830587 554016620 /nfs/dbraw/zinc/01/66/20/554016620.db2.gz QFHVEBHURJSVJE-PIKZIKFNSA-N 0 1 520.674 5.298 50 0 KKAAMN CCc1ccc(NC(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000034830594 554016650 /nfs/dbraw/zinc/01/66/50/554016650.db2.gz DCQJUZJAQYDLIF-LGGPFLRQSA-N 0 1 534.701 5.552 50 0 KKAAMN CCc1ccc(C(=O)N(Cc2c(C)nn(-c3cccc(F)c3)c2N2CCN(CC)CC2)[C@H](C)CC)cc1 ZINC000034832068 554017670 /nfs/dbraw/zinc/01/76/70/554017670.db2.gz XMKAJOFJBDZBCD-JOCHJYFZSA-N 0 1 505.682 5.465 50 0 KKAAMN CC[C@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)C(=O)c1ccc(Cl)cc1Cl ZINC000034834928 554019297 /nfs/dbraw/zinc/01/92/97/554019297.db2.gz QREPCBSMHPZQEX-FQEVSTJZSA-N 0 1 528.528 6.070 50 0 KKAAMN Nn1c(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nnc1-c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000097990114 554028199 /nfs/dbraw/zinc/02/81/99/554028199.db2.gz IHBSFQGNLITFBV-UHFFFAOYSA-N 0 1 561.899 5.471 50 0 KKAAMN COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)c1 ZINC000097995650 554036382 /nfs/dbraw/zinc/03/63/82/554036382.db2.gz LJSKWWDMZFORJP-UHFFFAOYSA-N 0 1 528.436 5.363 50 0 KKAAMN O=C(Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1)c1cc(Br)ccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000097999812 554046230 /nfs/dbraw/zinc/04/62/30/554046230.db2.gz MTWUBGSNDGBXSN-UHFFFAOYSA-N 0 1 626.743 8.255 50 0 KKAAMN CN1CCC2(CC1)N=C(SCC(=O)Nc1ccccc1Cl)C(c1ccc(Br)cc1)=N2 ZINC000035397189 554047815 /nfs/dbraw/zinc/04/78/15/554047815.db2.gz VBZRYSRYKOEHPR-UHFFFAOYSA-N 0 1 505.869 5.098 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccc(Cl)cc5Cl)nc4c32)cc1 ZINC000098000042 554048177 /nfs/dbraw/zinc/04/81/77/554048177.db2.gz FZGNEDAMUCVGMH-XMMPIXPASA-N 0 1 555.425 6.887 50 0 KKAAMN Cc1ccc(CN2C(=O)NC(=Cc3c(Cc4ccccc4C)[nH]n(-c4cccc(C)c4C)c3=O)C2=O)cc1 ZINC000035829456 554079559 /nfs/dbraw/zinc/07/95/59/554079559.db2.gz OOGQGRFDTQOASI-PKAZHMFMSA-N 0 1 506.606 5.495 50 0 KKAAMN O=C(NCc1cccc(F)c1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@H]12 ZINC000035871971 554086584 /nfs/dbraw/zinc/08/65/84/554086584.db2.gz PCRSEICAIJDUFM-AZGAKELHSA-N 0 1 515.526 5.163 50 0 KKAAMN COCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COC(C)C ZINC000098020114 554116783 /nfs/dbraw/zinc/11/67/83/554116783.db2.gz GMJJTOPHYFQMKU-LJAQVGFWSA-N 0 1 551.772 5.161 50 0 KKAAMN COc1ccc(-c2nn(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c(=S)n2Cc2ccccc2)cc1 ZINC000098023178 554120543 /nfs/dbraw/zinc/12/05/43/554120543.db2.gz XEONIQITEBADSU-UHFFFAOYSA-N 0 1 561.755 6.503 50 0 KKAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2cccs2)cc1F ZINC000098049915 554170245 /nfs/dbraw/zinc/17/02/45/554170245.db2.gz DWPGKWUSPZGYOE-RTBURBONSA-N 0 1 544.218 6.562 50 0 KKAAMN COc1ccc(OC)c([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(F)c2)c1 ZINC000098050013 554171094 /nfs/dbraw/zinc/17/10/94/554171094.db2.gz ZWAPFFVMJYOOEU-DHIUTWEWSA-N 0 1 598.241 6.518 50 0 KKAAMN CCOc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(OCC)cc2)cc1 ZINC000098050090 554171984 /nfs/dbraw/zinc/17/19/84/554171984.db2.gz BDEVOVHLCFTUFP-BJKOFHAPSA-N 0 1 594.278 6.850 50 0 KKAAMN Cc1cccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2cccs2)c1 ZINC000098050145 554172625 /nfs/dbraw/zinc/17/26/25/554172625.db2.gz SPZWIOQPIDECSC-OALUTQOASA-N 0 1 526.228 6.423 50 0 KKAAMN COc1ccc(C(O)(c2ccc(CN(Cc3ccccc3)C[C@@H]3CCCO3)o2)c2ccc(OC)cc2)cc1 ZINC000036145507 554197679 /nfs/dbraw/zinc/19/76/79/554197679.db2.gz DESVDVNSWJLYTO-LJAQVGFWSA-N 0 1 513.634 5.762 50 0 KKAAMN O[C@H](COCc1ccccc1)CN(Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146134 554198123 /nfs/dbraw/zinc/19/81/23/554198123.db2.gz LVSXRMMZNVYCJR-UIOOFZCWSA-N 0 1 516.535 5.417 50 0 KKAAMN O[C@H](COCc1ccco1)CN(Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146782 554198262 /nfs/dbraw/zinc/19/82/62/554198262.db2.gz UNHRXELDSPPWLW-UNMCSNQZSA-N 0 1 523.844 5.813 50 0 KKAAMN CCCN(Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1ccc(OC)c(OC)c1 ZINC000036156209 554198801 /nfs/dbraw/zinc/19/88/01/554198801.db2.gz ILWZRCBFXAAYKL-UHFFFAOYSA-N 0 1 531.649 6.010 50 0 KKAAMN COCCCN(Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1)Cc1ccc(OC)c(OC)c1 ZINC000036167761 554200110 /nfs/dbraw/zinc/20/01/10/554200110.db2.gz CNTLUIWKTYDEDU-UHFFFAOYSA-N 0 1 501.623 5.620 50 0 KKAAMN COc1cccc(CN(Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)CC(C)C)c1OC ZINC000036202342 554200741 /nfs/dbraw/zinc/20/07/41/554200741.db2.gz CUOPQLIHKIACLA-UHFFFAOYSA-N 0 1 521.604 6.517 50 0 KKAAMN Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CN(C[C@H](O)COc1ccccc1)C(C)C ZINC000036304089 554214036 /nfs/dbraw/zinc/21/40/36/554214036.db2.gz LERDNWHFGZNKJF-DEOSSOPVSA-N 0 1 507.581 5.902 50 0 KKAAMN Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CN(C[C@H](O)COCc1ccco1)CC1CC1 ZINC000036304891 554214856 /nfs/dbraw/zinc/21/48/56/554214856.db2.gz LDZPBEAGDKAIHN-SANMLTNESA-N 0 1 501.627 5.664 50 0 KKAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@@H](O)Cc1ccccc1 ZINC000036304957 554214912 /nfs/dbraw/zinc/21/49/12/554214912.db2.gz AAYOBHHMPARSLG-DEOSSOPVSA-N 0 1 506.046 5.585 50 0 KKAAMN Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1CN(C[C@@H](O)COCc1ccco1)CC1CC1 ZINC000036304894 554214967 /nfs/dbraw/zinc/21/49/67/554214967.db2.gz LDZPBEAGDKAIHN-AREMUKBSSA-N 0 1 501.627 5.664 50 0 KKAAMN Cn1nc(-c2ccccc2)c(CN(C[C@@H](O)COC(C)(C)C)C[C@@H]2CCCO2)c1Oc1cccc(F)c1 ZINC000036307246 554215928 /nfs/dbraw/zinc/21/59/28/554215928.db2.gz FJVGAVQSDAUGSC-NOZRDPDXSA-N 0 1 511.638 5.176 50 0 KKAAMN CCc1nc(-c2ccccc2)nc(N2CCN(C[C@@H](O)Cc3ccccc3)CC2)c1Cc1ccccc1F ZINC000036340835 554220349 /nfs/dbraw/zinc/22/03/49/554220349.db2.gz UKKJOKZIBJUBKE-MHZLTWQESA-N 0 1 510.657 5.162 50 0 KKAAMN COc1cccc(C2=NN(C(=O)CN3CCC(Cc4ccccc4)CC3)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000036341151 554220631 /nfs/dbraw/zinc/22/06/31/554220631.db2.gz VKOHHUUQZKVHLP-GDLZYMKVSA-N 0 1 502.058 5.981 50 0 KKAAMN COc1ccc(C2=NN(C(=O)CN3CCC(Cc4ccccc4)CC3)[C@@H](c3ccccc3Cl)C2)c(OC)c1 ZINC000036341035 554220651 /nfs/dbraw/zinc/22/06/51/554220651.db2.gz WLJBSDBIAVQXDF-GDLZYMKVSA-N 0 1 532.084 5.990 50 0 KKAAMN COc1ccc(OC)c([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)CN2CCC(Cc3ccccc3)CC2)c1 ZINC000036341671 554220891 /nfs/dbraw/zinc/22/08/91/554220891.db2.gz WOWWEACVOBCZJG-LJAQVGFWSA-N 0 1 515.629 5.475 50 0 KKAAMN COc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CCC(Cc3ccccc3)CC2)c(OC)c1 ZINC000036343456 554221935 /nfs/dbraw/zinc/22/19/35/554221935.db2.gz IZSWXFRHOKIQKS-HKBQPEDESA-N 0 1 525.693 5.953 50 0 KKAAMN Cc1ccc(C2=NN(C(=O)CN3CCC(Cc4ccccc4)CC3)[C@@H](c3ccccc3Cl)C2)c(C)c1 ZINC000036343849 554222356 /nfs/dbraw/zinc/22/23/56/554222356.db2.gz RXVJCOGSYHFOTE-SSEXGKCCSA-N 0 1 500.086 6.589 50 0 KKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)COCc1ccccc1 ZINC000036346049 554223619 /nfs/dbraw/zinc/22/36/19/554223619.db2.gz JTKQUIWZTZXMBU-SANMLTNESA-N 0 1 503.618 5.902 50 0 KKAAMN Cn1c2cc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)c(Sc3ccccc3)cc2n(C)c1=O ZINC000045940990 554316308 /nfs/dbraw/zinc/31/63/08/554316308.db2.gz JQSNGTXRWHOZLJ-UHFFFAOYSA-N 0 1 507.681 5.877 50 0 KKAAMN Fc1ccc(-c2csc3ncnc(N4CCN(CCOC(c5ccccc5)c5ccccc5)CC4)c23)cc1 ZINC000054263644 554349149 /nfs/dbraw/zinc/34/91/49/554349149.db2.gz WPCPQNUJQWMJOB-UHFFFAOYSA-N 0 1 524.665 6.426 50 0 KKAAMN Cc1cc(NC(=O)CSc2nc3cc(Oc4ccc5nc(SCC(=O)Nc6cc(C)on6)[nH]c5c4)ccc3[nH]2)no1 ZINC000059211902 554385326 /nfs/dbraw/zinc/38/53/26/554385326.db2.gz DRYNPUDCIKWCSD-UHFFFAOYSA-N 0 1 590.647 5.286 50 0 KKAAMN O=c1/c(=C/c2cc(Br)cc(Cl)c2O)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 ZINC000059222209 554385772 /nfs/dbraw/zinc/38/57/72/554385772.db2.gz WWWZQDBHAYNFDZ-IYMWYRQMSA-N 0 1 555.906 5.502 50 0 KKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)Nc2ccc(Cl)c(Cl)c2)[C@H]3c2cccc(F)c2)cc1 ZINC000100425490 554386593 /nfs/dbraw/zinc/38/65/93/554386593.db2.gz DAAIJSAZSFLUSN-MNAQKMTRSA-N 0 1 602.493 9.397 50 0 KKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)Nc2ccc(Cl)c(Cl)c2)[C@@H]3c2cccc(F)c2)cc1 ZINC000100425503 554386667 /nfs/dbraw/zinc/38/66/67/554386667.db2.gz DAAIJSAZSFLUSN-XFSFLGPDSA-N 0 1 602.493 9.397 50 0 KKAAMN O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc(F)cc1)N(C(=S)Nc1ccccc1)c1ccccc1N2 ZINC000100425757 554387032 /nfs/dbraw/zinc/38/70/32/554387032.db2.gz XQMUTDGWPPUJTN-FWUCURJTSA-N 0 1 519.645 8.246 50 0 KKAAMN COc1ccc([C@@H]2C3=C(C[C@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1OC ZINC000100426111 554387656 /nfs/dbraw/zinc/38/76/56/554387656.db2.gz OCESVFKIFMZAST-HGGZLQRRSA-N 0 1 586.732 8.865 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000100426223 554387672 /nfs/dbraw/zinc/38/76/72/554387672.db2.gz SFFSCYPFHDITEB-JIYROHSKSA-N 0 1 529.080 8.479 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000100426089 554387715 /nfs/dbraw/zinc/38/77/15/554387715.db2.gz AXKGIDZVRLDJOP-HOYUZMNJSA-N 0 1 580.769 9.132 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(C(C)=O)cc1 ZINC000100426419 554388115 /nfs/dbraw/zinc/38/81/15/554388115.db2.gz NIIKRXHJDUPPDL-OSPAZUARSA-N 0 1 566.698 8.037 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000100426443 554388246 /nfs/dbraw/zinc/38/82/46/554388246.db2.gz FEAVEDJQLGUJBU-IYLMVCPTSA-N 0 1 614.739 7.860 50 0 KKAAMN CCCCCC(=O)N1c2cc(C)ccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(OC)cc1 ZINC000100427189 554389848 /nfs/dbraw/zinc/38/98/48/554389848.db2.gz ZMJOYYUCIHQDEP-INJOXJOKSA-N 0 1 508.662 8.134 50 0 KKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000100429448 554390562 /nfs/dbraw/zinc/39/05/62/554390562.db2.gz OOKQQDOLWWXRRO-BGOLNKOXSA-N 0 1 512.606 6.673 50 0 KKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@H]3c2ccc(Cl)cc2)cc1OC ZINC000100429537 554390621 /nfs/dbraw/zinc/39/06/21/554390621.db2.gz JORIRDZWVGTURA-WRONEBCDSA-N 0 1 502.998 6.927 50 0 KKAAMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc(C)cc3C)S(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000059647405 554417999 /nfs/dbraw/zinc/41/79/99/554417999.db2.gz SNCFROXOAABAAN-UHFFFAOYSA-N 0 1 623.753 5.264 50 0 KKAAMN Cc1ccc(F)cc1N1C(=O)C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@H]1c1ccc2c(c1)OCO2 ZINC000100578032 554423948 /nfs/dbraw/zinc/42/39/48/554423948.db2.gz YAMVVGQQVHIQAK-YADHBBJMSA-N 0 1 582.198 6.229 50 0 KKAAMN CCOc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000100578006 554423952 /nfs/dbraw/zinc/42/39/52/554423952.db2.gz RPWRFHRDEGIJQZ-PKTZIBPZSA-N 0 1 594.234 6.180 50 0 KKAAMN O=C1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@H](c2ccc(F)cc2)N1c1ccc(Cl)cc1 ZINC000100582661 554425255 /nfs/dbraw/zinc/42/52/55/554425255.db2.gz AVTMQTVCJMFYLK-PMACEKPBSA-N 0 1 558.607 6.845 50 0 KKAAMN Cc1cc(Cl)ccc1N1C(=O)C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@H]1c1ccc(F)cc1 ZINC000100584463 554426046 /nfs/dbraw/zinc/42/60/46/554426046.db2.gz MRMBJHPZGOMNFN-NHCUHLMSSA-N 0 1 572.634 7.154 50 0 KKAAMN Cc1cc(Cl)ccc1N1C(=O)C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@H]1c1ccc(F)cc1 ZINC000100584457 554426071 /nfs/dbraw/zinc/42/60/71/554426071.db2.gz MRMBJHPZGOMNFN-RTWAWAEBSA-N 0 1 572.634 7.154 50 0 KKAAMN Cc1ccc(Cl)cc1N1C(=O)C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@H]1c1cccc(F)c1 ZINC000100584623 554426086 /nfs/dbraw/zinc/42/60/86/554426086.db2.gz KQGVFQWANVKWPB-NHCUHLMSSA-N 0 1 572.634 7.154 50 0 KKAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2cccc(F)c2)cc1Cl ZINC000100584633 554426111 /nfs/dbraw/zinc/42/61/11/554426111.db2.gz WWTAUXYNGBQUEE-SFTDATJTSA-N 0 1 572.634 7.154 50 0 KKAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2cccc(F)c2)cc1F ZINC000100584668 554426401 /nfs/dbraw/zinc/42/64/01/554426401.db2.gz VVRBSCYZYZZRMH-NHCUHLMSSA-N 0 1 556.179 6.640 50 0 KKAAMN COc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(C)c2)cc1OC ZINC000100585906 554426635 /nfs/dbraw/zinc/42/66/35/554426635.db2.gz PHALNRGQERBOSS-DNQXCXABSA-N 0 1 594.278 6.687 50 0 KKAAMN CCc1ccc([C@H]2C(S(=O)(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000064558191 554512039 /nfs/dbraw/zinc/51/20/39/554512039.db2.gz QEXDXYJSXVSNOX-QFIPXVFZSA-N 0 1 512.425 5.651 50 0 KKAAMN CC(C)(C)C(=O)[C@@H]1C(=C(O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000101064373 554571459 /nfs/dbraw/zinc/57/14/59/554571459.db2.gz PUZOFRLPUMZEQT-ZGQJUUMOSA-N 0 1 589.917 6.691 50 0 KKAAMN O=C(Oc1ccc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)cc1)c1ccccc1 ZINC000101076327 554577754 /nfs/dbraw/zinc/57/77/54/554577754.db2.gz YRTFIEWOVFCHFC-VJGNERBWSA-N 0 1 569.411 5.719 50 0 KKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N21 ZINC000101094478 554583761 /nfs/dbraw/zinc/58/37/61/554583761.db2.gz HHQMTGCKXNUNFX-GFQWBHFJSA-N 0 1 527.418 5.320 50 0 KKAAMN O=C(CN1C(=O)/C(=C\c2cccc(Br)c2)Oc2ccccc21)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000101097691 554584900 /nfs/dbraw/zinc/58/49/00/554584900.db2.gz ZPOXFQYXYYPDAE-TURZUDJPSA-N 0 1 609.952 5.198 50 0 KKAAMN COc1cc([C@@H]2C3=C(C[C@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc(OC)c1OC ZINC000101100344 554587172 /nfs/dbraw/zinc/58/71/72/554587172.db2.gz XPRHXNVPPJJLAT-RGJYROARSA-N 0 1 616.758 8.874 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1OC ZINC000101119577 554643623 /nfs/dbraw/zinc/64/36/23/554643623.db2.gz LRMJHMLBWTVHRI-CYXNTTPDSA-N 0 1 541.431 6.232 50 0 KKAAMN CCOc1cc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000101157377 554659092 /nfs/dbraw/zinc/65/90/92/554659092.db2.gz KPHCPOAPZBEPFP-OCBJUFRSSA-N 0 1 538.575 5.855 50 0 KKAAMN CCOc1cc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc(Br)c1O ZINC000101195557 554672073 /nfs/dbraw/zinc/67/20/73/554672073.db2.gz RKPQVONPAYTESG-XPNTWCBSSA-N 0 1 543.801 5.258 50 0 KKAAMN CC(C)(C)C(=O)[C@@H]1C(=C(O)c2ccc(Cl)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000101206889 554676635 /nfs/dbraw/zinc/67/66/35/554676635.db2.gz AOQJUWHDEYTHRR-SQRAXXTESA-N 0 1 545.466 6.582 50 0 KKAAMN CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)CN3CCN(c4ccc(C)cc4)CC3)cc21 ZINC000101222486 554687601 /nfs/dbraw/zinc/68/76/01/554687601.db2.gz FXBYVFHUZBOXOY-MUUNZHRXSA-N 0 1 541.692 5.294 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4cccc(OC)c4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000101229185 554689192 /nfs/dbraw/zinc/68/91/92/554689192.db2.gz SEBWNEDSEFFUBN-IARZGTGTSA-N 0 1 516.594 5.324 50 0 KKAAMN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(OC)c4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000101229185 554689194 /nfs/dbraw/zinc/68/91/94/554689194.db2.gz SEBWNEDSEFFUBN-IARZGTGTSA-N 0 1 516.594 5.324 50 0 KKAAMN CCCCCc1ccc(C(=O)[C@@H]2[C@@H](C(C)=O)N3c4ccc(F)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000101240242 554693111 /nfs/dbraw/zinc/69/31/11/554693111.db2.gz UBMQMRFPLBZFGT-NDQSGYKOSA-N 0 1 522.620 6.121 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000101254798 554695521 /nfs/dbraw/zinc/69/55/21/554695521.db2.gz QXQKUXWRKLZDRH-XIFFEERXSA-N 0 1 643.854 5.413 50 0 KKAAMN Cc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCCN3CCN(Cc4ccccc4)CC3)C2=S)cc1 ZINC000101254861 554695781 /nfs/dbraw/zinc/69/57/81/554695781.db2.gz YXGIZWNUKSPTMN-GDLZYMKVSA-N 0 1 590.193 5.187 50 0 KKAAMN CN1CC2=C(N=C3SC=C(c4ccc(Cl)cc4)N3[C@@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 ZINC000101299275 554712746 /nfs/dbraw/zinc/71/27/46/554712746.db2.gz XFAQETCWONQQOS-GHMVGRGESA-N 0 1 550.942 8.388 50 0 KKAAMN C[C@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000101341549 554735597 /nfs/dbraw/zinc/73/55/97/554735597.db2.gz YFGKOZWXRWYBSB-CHJDUVSTSA-N 0 1 583.795 5.444 50 0 KKAAMN C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000101341596 554735907 /nfs/dbraw/zinc/73/59/07/554735907.db2.gz ZUBFLAGZJNQECR-CLYVBNDRSA-N 0 1 596.577 5.453 50 0 KKAAMN O=C(c1cccs1)[C@@H]1C(=C(O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000101361049 554742756 /nfs/dbraw/zinc/74/27/56/554742756.db2.gz PIVQSAQTISNSTM-BYBRNZAOSA-N 0 1 537.040 6.258 50 0 KKAAMN Cc1cccc(/C=C2\Sc3ccc(C(=O)NCCCN4CCN(c5ccc(F)cc5)CC4)cc3N(C)C2=O)c1 ZINC000101373746 554745526 /nfs/dbraw/zinc/74/55/26/554745526.db2.gz IVXOKWPXTSGPRB-BRPDVVIDSA-N 0 1 544.696 5.186 50 0 KKAAMN COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000101376994 554746686 /nfs/dbraw/zinc/74/66/86/554746686.db2.gz YLGZXTPHOVMDLA-CCLHPLFOSA-N 0 1 550.533 6.594 50 0 KKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101377860 554747129 /nfs/dbraw/zinc/74/71/29/554747129.db2.gz ZZEIYOYISSKPHU-BGOLNKOXSA-N 0 1 554.643 6.681 50 0 KKAAMN CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4cc(Br)ccc4N4CCN(Cc5ccccc5)C[C@@H]43)C2=O)cc1 ZINC000101391634 554755185 /nfs/dbraw/zinc/75/51/85/554755185.db2.gz HMYBVOZWVICHGA-GRKNLSHJSA-N 0 1 587.518 5.282 50 0 KKAAMN CCOc1cc([C@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)ccc1OCc1ccc(Cl)cc1 ZINC000101404285 554761245 /nfs/dbraw/zinc/76/12/45/554761245.db2.gz VNRIIHUZWLGCAZ-HTOJEEBVSA-N 0 1 633.188 9.586 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000101405951 554761668 /nfs/dbraw/zinc/76/16/68/554761668.db2.gz HDYKOMZZZKSPOY-GNTYDJQKSA-N 0 1 610.795 9.140 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000101423549 554767736 /nfs/dbraw/zinc/76/77/36/554767736.db2.gz YBGJIIWCXFDZSV-URNDWHGUSA-N 0 1 578.753 8.901 50 0 KKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101424165 554767991 /nfs/dbraw/zinc/76/79/91/554767991.db2.gz UVFGIVLTUNCJCO-XDBZFTIUSA-N 0 1 582.575 6.833 50 0 KKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CC(C)C)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101448106 554774984 /nfs/dbraw/zinc/77/49/84/554774984.db2.gz UFSAXVLOZVOILQ-ULKXQASOSA-N 0 1 570.686 7.317 50 0 KKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)Cc2ccccc2)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101468914 554781450 /nfs/dbraw/zinc/78/14/50/554781450.db2.gz OQBGXHBVCMGNAE-MUVVOIGYSA-N 0 1 604.703 7.514 50 0 KKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cccs2)[C@H]3c2cccc(F)c2)cc1 ZINC000101482800 554784838 /nfs/dbraw/zinc/78/48/38/554784838.db2.gz FSLJIRVCIUTRNC-JRPXNJEYSA-N 0 1 524.617 7.760 50 0 KKAAMN Cc1nn(Cc2ccc(F)cc2)c(C)c1N(C(=S)Nc1ccc(C)cc1)[C@@H]1CC(=O)N(c2ccccc2C)C1=O ZINC000101526544 554794288 /nfs/dbraw/zinc/79/42/88/554794288.db2.gz OHOSVEYGNXKQRD-HHHXNRCGSA-N 0 1 555.679 5.840 50 0 KKAAMN Cc1nn(Cc2ccc(F)cc2)c(C)c1N(C(=S)Nc1ccc(C)cc1)C1CC(=O)N(c2ccccc2C)C1=O ZINC000101526544 554794289 /nfs/dbraw/zinc/79/42/89/554794289.db2.gz OHOSVEYGNXKQRD-HHHXNRCGSA-N 0 1 555.679 5.840 50 0 KKAAMN O=C(CCSCc1cnn(-c2ccccc2)c1-n1cccc1)NCC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000101590528 554802760 /nfs/dbraw/zinc/80/27/60/554802760.db2.gz AWAUYNPCVBMBEE-UHFFFAOYSA-N 0 1 548.156 5.968 50 0 KKAAMN COc1ccccc1N1CCN(CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)CC1 ZINC000101618197 554806670 /nfs/dbraw/zinc/80/66/70/554806670.db2.gz PKYUEYFDSJUJFQ-LOYHVIPDSA-N 0 1 560.764 5.022 50 0 KKAAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](c1ccc(Cl)cc1)[C@@H](NS(=O)(=O)c1ccccc1C)C(=O)c1ccccc1 ZINC000101625372 554810983 /nfs/dbraw/zinc/81/09/83/554810983.db2.gz TXEXWYWPFBPOCF-XZWHSSHBSA-N 0 1 586.113 6.210 50 0 KKAAMN O=C(NCCN1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)/C(=C/c1ccccc1)S2 ZINC000101637609 554813649 /nfs/dbraw/zinc/81/36/49/554813649.db2.gz OVPCTLZELBVDEV-XSVYLIDLSA-N 0 1 606.767 6.053 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@H]1N2[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000101672368 554825806 /nfs/dbraw/zinc/82/58/06/554825806.db2.gz SILKXLCKTCBRLP-XAEBNIDXSA-N 0 1 583.526 6.736 50 0 KKAAMN CCCCCc1ccc(C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000101672219 554825841 /nfs/dbraw/zinc/82/58/41/554825841.db2.gz IQWINAQGSMNSRK-IJIJIXBQSA-N 0 1 595.183 8.051 50 0 KKAAMN CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c1ccc(Br)cc1)[C@]21C(=O)Nc2ccccc21 ZINC000101672551 554825996 /nfs/dbraw/zinc/82/59/96/554825996.db2.gz FSIUZZMJEWPRPO-JVPIYLDOSA-N 0 1 569.499 6.428 50 0 KKAAMN CCCCCc1ccc(C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@]23c2ccccc2NC3=O)cc1 ZINC000101673569 554827125 /nfs/dbraw/zinc/82/71/25/554827125.db2.gz KMNZWHXZMZQCLV-NDTOYMFRSA-N 0 1 574.765 7.706 50 0 KKAAMN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)CC(=O)N2 ZINC000101731602 554833502 /nfs/dbraw/zinc/83/35/02/554833502.db2.gz DILLMBNPWVXODZ-GOSISDBHSA-N 0 1 520.380 5.207 50 0 KKAAMN CCOc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cc1-c1nc2c(C(C)(C)C)nn(C)c2c(=O)[nH]1 ZINC000101749712 554834744 /nfs/dbraw/zinc/83/47/44/554834744.db2.gz UXMPYDLDWYVZLV-UHFFFAOYSA-N 0 1 609.793 6.121 50 0 KKAAMN CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(C(C)C)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000101867909 554845414 /nfs/dbraw/zinc/84/54/14/554845414.db2.gz IACKGWGRIKGCCL-UHFFFAOYSA-N 0 1 562.155 5.359 50 0 KKAAMN COc1ccccc1N1CCN(CCCNC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)[C@@H]2c2cccs2)CC1 ZINC000101979744 554863660 /nfs/dbraw/zinc/86/36/60/554863660.db2.gz ZNOOPHULBMEETJ-FIRIVFDPSA-N 0 1 572.775 5.309 50 0 KKAAMN CC(C)CN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1ccc(Cl)c(Cl)c1 ZINC000102102918 554882038 /nfs/dbraw/zinc/88/20/38/554882038.db2.gz XBNVLIGZAWRFAX-UHFFFAOYSA-N 0 1 591.410 8.511 50 0 KKAAMN Cc1ccc(-n2ncc(C(=O)NCCCN3CCN(c4cc(C)ccc4C)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000102130393 554885239 /nfs/dbraw/zinc/88/52/39/554885239.db2.gz MAKUHROIKYRRMR-UHFFFAOYSA-N 0 1 614.835 5.854 50 0 KKAAMN Cc1ccc(S(=O)(=O)C2=C(O)C(=O)N(c3ccc(Br)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000102227124 554899581 /nfs/dbraw/zinc/89/95/81/554899581.db2.gz BLTGDIYSSKZJJL-HXUWFJFHSA-N 0 1 518.816 5.742 50 0 KKAAMN CCOc1ccc(NC(=O)CSC2=NC3(CCN(CC)CC3)N=C2c2ccc(Br)cc2)cc1 ZINC000102244097 554903234 /nfs/dbraw/zinc/90/32/34/554903234.db2.gz BGMFXYYIBFGOOI-UHFFFAOYSA-N 0 1 529.504 5.233 50 0 KKAAMN CCOC(=O)C1C(COC(=O)c2cc(-c3ccccc3)nc3ccc(C)cc32)=NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000102273522 554905863 /nfs/dbraw/zinc/90/58/63/554905863.db2.gz DBORVZKRBJVCRC-LJAQVGFWSA-N 0 1 551.599 5.247 50 0 KKAAMN Cc1cccc(N2CCN(Cc3cc(-c4cccs4)ccc3OCC(=O)N[C@@H](C)c3nccs3)CC2)c1C ZINC000102334717 554912581 /nfs/dbraw/zinc/91/25/81/554912581.db2.gz IZLXPIFRTREFSB-QHCPKHFHSA-N 0 1 546.762 6.067 50 0 KKAAMN CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102551838 554962290 /nfs/dbraw/zinc/96/22/90/554962290.db2.gz PWVNPKHAWAWJDD-UNMGZEBXSA-N 0 1 553.102 6.881 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000102559520 554966875 /nfs/dbraw/zinc/96/68/75/554966875.db2.gz SNCHPGRCAVKONL-NHKHRBQYSA-N 0 1 619.899 6.741 50 0 KKAAMN O=C(c1ccccc1F)[C@@H]1C(=C(O)c2ccc3c(c2)OCO3)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000102562926 554968905 /nfs/dbraw/zinc/96/89/05/554968905.db2.gz QLGRIRDUKWOJIW-HEFUCBFLSA-N 0 1 558.565 5.411 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000102644187 554991453 /nfs/dbraw/zinc/99/14/53/554991453.db2.gz CSVCMSRRMKLGOH-WNSROMTISA-N 0 1 588.714 10.133 50 0 KKAAMN O=C(c1cccs1)N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C2[C@H]1c1ccccc1Cl ZINC000102646725 554992869 /nfs/dbraw/zinc/99/28/69/554992869.db2.gz BXSHOCVHOLGOSP-ADXZGYQBSA-N 0 1 529.036 8.405 50 0 KKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@@H]3c2cccc(F)c2)cc1 ZINC000102647237 554993364 /nfs/dbraw/zinc/99/33/64/554993364.db2.gz ZETURIUMHOUPJS-HFJWLAOPSA-N 0 1 510.487 6.947 50 0 KKAAMN CCCCOc1ccc(N2C(=O)C[C@@H](N(C(=O)Nc3cccc(Cl)c3)c3cnn(Cc4ccc(F)cc4)c3)C2=O)cc1 ZINC000102661115 555000516 /nfs/dbraw/zinc/00/05/16/555000516.db2.gz MVCPHMMLGTYZEP-MUUNZHRXSA-N 0 1 590.055 6.273 50 0 KKAAMN CCCCOc1ccc(N2C(=O)CC(N(C(=O)Nc3cccc(Cl)c3)c3cnn(Cc4ccc(F)cc4)c3)C2=O)cc1 ZINC000102661115 555000520 /nfs/dbraw/zinc/00/05/20/555000520.db2.gz MVCPHMMLGTYZEP-MUUNZHRXSA-N 0 1 590.055 6.273 50 0 KKAAMN O=C(CN(CCN1CCCC1)C(=O)c1cccc(Br)c1)N1CCc2sccc2[C@H]1COc1ccc(F)cc1 ZINC000102679328 555005149 /nfs/dbraw/zinc/00/51/49/555005149.db2.gz BXUKCSDKIHKLPZ-AREMUKBSSA-N 0 1 600.554 5.393 50 0 KKAAMN Cc1cccc(N2CCN(Cc3cc(-c4cccs4)ccc3OCC(=O)N[C@@H]3CCOC(C)(C)C3)CC2)c1C ZINC000102684724 555006625 /nfs/dbraw/zinc/00/66/25/555006625.db2.gz KGMWJBHPQGABHF-HHHXNRCGSA-N 0 1 547.765 5.807 50 0 KKAAMN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(CC)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC ZINC000102739488 555028177 /nfs/dbraw/zinc/02/81/77/555028177.db2.gz YCFGIEJBOWXYAF-MPFGFTFXSA-N 0 1 514.622 5.878 50 0 KKAAMN O=C(Oc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1)c1ccccc1 ZINC000102746571 555039133 /nfs/dbraw/zinc/03/91/33/555039133.db2.gz NVILDXNSTJZWOP-OYUWMTPXSA-N 0 1 508.505 5.096 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(OC)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000102750218 555044018 /nfs/dbraw/zinc/04/40/18/555044018.db2.gz SGYNSRYDTADTRE-JCYYIGJDSA-N 0 1 516.594 5.324 50 0 KKAAMN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC ZINC000102750218 555044021 /nfs/dbraw/zinc/04/40/21/555044021.db2.gz SGYNSRYDTADTRE-JCYYIGJDSA-N 0 1 516.594 5.324 50 0 KKAAMN O=C(c1ccc(Cn2c(=O)c3cc(Br)ccc3[nH]c2=S)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000102753361 555045448 /nfs/dbraw/zinc/04/54/48/555045448.db2.gz YOTZBWLZJDCPSZ-UHFFFAOYSA-N 0 1 569.912 5.486 50 0 KKAAMN O=C(c1ccc(Cn2c(=O)c3cc(Br)ccc3[nH]c2=S)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000102753956 555045667 /nfs/dbraw/zinc/04/56/67/555045667.db2.gz OIQPFLIPUQSXHY-UHFFFAOYSA-N 0 1 548.506 5.965 50 0 KKAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1Br ZINC000102765161 555054756 /nfs/dbraw/zinc/05/47/56/555054756.db2.gz APJKPZYGRPGHCC-YPAWHYETSA-N 0 1 513.775 5.162 50 0 KKAAMN C[C@@H](C(=O)NCCCN1CCN(c2ccc(F)cc2)CC1)[C@H]1Sc2ccccc2N(Cc2ccc(F)cc2Cl)C1=O ZINC000102773180 555061937 /nfs/dbraw/zinc/06/19/37/555061937.db2.gz NMKQMWBVFHUUAV-ONOMSOESSA-N 0 1 599.147 5.590 50 0 KKAAMN CCc1cccc2c1NC(=O)[C@@]21N2CCC[C@@H]2[C@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000102773700 555062210 /nfs/dbraw/zinc/06/22/10/555062210.db2.gz QYQDPBFSISDNBS-FSUFCWANSA-N 0 1 527.624 5.417 50 0 KKAAMN CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000102775620 555062718 /nfs/dbraw/zinc/06/27/18/555062718.db2.gz DEXFPUZLJYSAEO-KANWNJQCSA-N 0 1 527.624 5.417 50 0 KKAAMN CCc1ccc2c(c1)[C@]1(C(=O)N2)N2CCC[C@@H]2[C@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000102775620 555062720 /nfs/dbraw/zinc/06/27/20/555062720.db2.gz DEXFPUZLJYSAEO-KANWNJQCSA-N 0 1 527.624 5.417 50 0 KKAAMN O=c1cc(CN(Cc2cc(=O)n3c(-c4ccccc4)csc3n2)C2CCCCC2)nc2scc(-c3ccccc3)n21 ZINC000102815157 555075911 /nfs/dbraw/zinc/07/59/11/555075911.db2.gz IGMCVYXUXQGGAV-UHFFFAOYSA-N 0 1 579.751 6.494 50 0 KKAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@@H](C)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000102840033 555081243 /nfs/dbraw/zinc/08/12/43/555081243.db2.gz RFSYZUIEKFFPTC-SIBVEZHUSA-N 0 1 542.532 5.684 50 0 KKAAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)NC34CC5CC(CC(C5)C3)C4)[C@@H]2c2ccc(F)cc2)C1 ZINC000102859534 555090080 /nfs/dbraw/zinc/09/00/80/555090080.db2.gz FGBKZKFXXGNEQT-ZZHIIEOYSA-N 0 1 513.657 7.770 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3Cl)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102865728 555095155 /nfs/dbraw/zinc/09/51/55/555095155.db2.gz KRAWAVSRNVXMPA-CUTZTJRCSA-N 0 1 573.092 7.149 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1ccncc1 ZINC000102874835 555104813 /nfs/dbraw/zinc/10/48/13/555104813.db2.gz KPMBPLTWDAALRC-JQJBXXCASA-N 0 1 521.705 8.510 50 0 KKAAMN O=C(N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C2[C@@H]1c1ccccc1Cl)C(F)(F)F ZINC000102878842 555108148 /nfs/dbraw/zinc/10/81/48/555108148.db2.gz WVFMTSZUSAGCOL-LMKMVOKYSA-N 0 1 514.906 7.592 50 0 KKAAMN O=C(N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C2[C@H]1c1ccccc1Cl)C(F)(F)F ZINC000102878838 555108183 /nfs/dbraw/zinc/10/81/83/555108183.db2.gz WVFMTSZUSAGCOL-IVCQMTBJSA-N 0 1 514.906 7.592 50 0 KKAAMN CCCCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C(C)=C[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000102884644 555113757 /nfs/dbraw/zinc/11/37/57/555113757.db2.gz FQWBONXCEUBIIV-BNSAVYCWSA-N 0 1 560.738 7.398 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000102888986 555122705 /nfs/dbraw/zinc/12/27/05/555122705.db2.gz AAAJFWWGPFFRCY-NLDZOOGBSA-N 0 1 603.444 6.227 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000102894433 555132394 /nfs/dbraw/zinc/13/23/94/555132394.db2.gz MERBINIMWJKIGN-IARZGTGTSA-N 0 1 572.976 5.758 50 0 KKAAMN COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@@H]3c2ccc(F)cc2)c1 ZINC000102925383 555149690 /nfs/dbraw/zinc/14/96/90/555149690.db2.gz VZBQJXNIUMYPHG-NRUKRWIHSA-N 0 1 518.588 7.698 50 0 KKAAMN COc1ccc([C@H]2C3=C(C[C@@H](c4cccc(F)c4)CC3=O)Nc3ccccc3N2C(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000102929775 555155805 /nfs/dbraw/zinc/15/58/05/555155805.db2.gz HIJOVAPPELJIHE-KCEHZKJRSA-N 0 1 587.478 9.005 50 0 KKAAMN Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(C)cc1)C(c1nc3ccccc3s1)=C(c1ccccc1)N2 ZINC000102937619 555165694 /nfs/dbraw/zinc/16/56/94/555165694.db2.gz RRBWYOLWPUJFHV-GDLZYMKVSA-N 0 1 510.666 8.225 50 0 KKAAMN Ic1ccc(N=[P@](c2ccccc2)([C@H]2CCCC=C2N2CCOCC2)N2CCOCC2)cc1 ZINC000102945692 555171672 /nfs/dbraw/zinc/17/16/72/555171672.db2.gz HPCVIMORDGQJLI-UBOZLPQGSA-N 0 1 577.447 5.465 50 0 KKAAMN COc1ccc(NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000102994012 555193941 /nfs/dbraw/zinc/19/39/41/555193941.db2.gz VBOWBOZYLODPRJ-UHFFFAOYSA-N 0 1 577.273 5.478 50 0 KKAAMN COc1ccc(NC(=O)COc2ccc(Br)cc2)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000102994019 555193994 /nfs/dbraw/zinc/19/39/94/555193994.db2.gz QBEUZDMJBBCCBA-UHFFFAOYSA-N 0 1 560.253 5.583 50 0 KKAAMN COc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccs2)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000102994022 555194016 /nfs/dbraw/zinc/19/40/16/555194016.db2.gz UDAYZQPHGMINQI-HSZRJFAPSA-N 0 1 604.537 5.844 50 0 KKAAMN COc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccs2)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000102994024 555194087 /nfs/dbraw/zinc/19/40/87/555194087.db2.gz UDAYZQPHGMINQI-QHCPKHFHSA-N 0 1 604.537 5.844 50 0 KKAAMN O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000103000597 555200288 /nfs/dbraw/zinc/20/02/88/555200288.db2.gz TURQXIZIISFYNZ-UHFFFAOYSA-N 0 1 610.928 6.501 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)c1 ZINC000103017032 555209793 /nfs/dbraw/zinc/20/97/93/555209793.db2.gz UOTWMHBCSXPNSB-UHFFFAOYSA-N 0 1 586.091 5.227 50 0 KKAAMN CC(C)C[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000103016862 555209834 /nfs/dbraw/zinc/20/98/34/555209834.db2.gz SXAGVEHGYUSQRE-MYRJMEBBSA-N 0 1 562.497 5.555 50 0 KKAAMN O=C(Nc1ccc(Cl)cc1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(C(=O)NC2CCCCC2)c1 ZINC000103024626 555215102 /nfs/dbraw/zinc/21/51/02/555215102.db2.gz SMEVTOFCSCSUKM-UHFFFAOYSA-N 0 1 546.115 6.369 50 0 KKAAMN C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000103040199 555224862 /nfs/dbraw/zinc/22/48/62/555224862.db2.gz MFGSFJQYWNQDQK-WINIVTDRSA-N 0 1 574.644 6.008 50 0 KKAAMN CCOc1nc(-c2ccccc2F)n(-c2ccc(NS(=O)(=O)c3cc(Br)ccc3OC)cc2)n1 ZINC000103047230 555229075 /nfs/dbraw/zinc/22/90/75/555229075.db2.gz OJVQSMRHONJNJU-UHFFFAOYSA-N 0 1 547.406 5.044 50 0 KKAAMN CCN(CC)c1ccc(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1S(=O)(=O)Nc1ccccc1OC ZINC000103049926 555232178 /nfs/dbraw/zinc/23/21/78/555232178.db2.gz HYYKLYMRTNGFIV-UHFFFAOYSA-N 0 1 598.681 5.395 50 0 KKAAMN CCn1c2ccccc2c2cc(NC(=O)[C@H](C)OC(=O)c3ccccc3NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)ccc21 ZINC000103090058 555269150 /nfs/dbraw/zinc/26/91/50/555269150.db2.gz YYZODVNKPXCVEM-QHCPKHFHSA-N 0 1 611.764 7.405 50 0 KKAAMN CC(C)(C)C(=O)N1CCc2ccc(OCc3ccc(C(=O)NCCN4CCCC4)o3)cc2[C@@H]1c1cccc(F)c1 ZINC000103160325 555320765 /nfs/dbraw/zinc/32/07/65/555320765.db2.gz BOMNQJSOZCTGRF-LJAQVGFWSA-N 0 1 547.671 5.344 50 0 KKAAMN CC(C)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COCc1ccccc1 ZINC000103204609 555338925 /nfs/dbraw/zinc/33/89/25/555338925.db2.gz GNVYSLWFVCJBOJ-JGCGQSQUSA-N 0 1 569.790 6.325 50 0 KKAAMN Cc1cc(Oc2coc3cc(OC[C@H](O)CN4CCN(C(c5ccccc5)c5ccccc5)CC4)ccc3c2=O)cc(C)c1Cl ZINC000103261542 555346942 /nfs/dbraw/zinc/34/69/42/555346942.db2.gz IGBHLWCKVUXSMN-GDLZYMKVSA-N 0 1 625.165 7.002 50 0 KKAAMN C[C@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000103363204 555365265 /nfs/dbraw/zinc/36/52/65/555365265.db2.gz HSCHHAAYXUKTPQ-PPHZAIPVSA-N 0 1 574.644 6.008 50 0 KKAAMN C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000103363154 555365292 /nfs/dbraw/zinc/36/52/92/555365292.db2.gz SGHUENSJVVOIES-CLYVBNDRSA-N 0 1 575.537 6.296 50 0 KKAAMN O=C([O-])c1ccc2c(c1)nc([C@H](Cc1ccccc1)NC(=S)Nc1ccc(Cl)c(Cl)c1)n2CC[NH+]1CCOCC1 ZINC000103365834 555365841 /nfs/dbraw/zinc/36/58/41/555365841.db2.gz WDCJHYWIWSLXQU-VWLOTQADSA-N 0 1 598.556 5.644 50 0 KKAAMN CCc1cccc2c1NC(=O)[C@@]21N2CCC[C@@H]2[C@@H](C(=O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000103518451 555424012 /nfs/dbraw/zinc/42/40/12/555424012.db2.gz PJAKLDZWFIABNU-SMVSGJMUSA-N 0 1 556.460 5.026 50 0 KKAAMN CN1CC2=C(N=C3SC=C(c4ccc(Cl)cc4)N3[C@H]2c2ccc(OC(F)F)cc2)/C(=C/c2ccc(OC(F)F)cc2)C1 ZINC000103559253 555447613 /nfs/dbraw/zinc/44/76/13/555447613.db2.gz MBERVRUVKNXIOP-BSKIJULFSA-N 0 1 614.064 8.284 50 0 KKAAMN CC(C)(C)c1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000104028395 571371483 /nfs/dbraw/zinc/37/14/83/571371483.db2.gz FDOHYBZVEJDOJO-GDLZYMKVSA-N 0 1 562.541 9.789 50 0 KKAAMN COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@H]3c2ccc(F)cc2)c1 ZINC000104116910 571374211 /nfs/dbraw/zinc/37/42/11/571374211.db2.gz KJTSPADKWNVTIR-DWXRJYCRSA-N 0 1 510.487 6.947 50 0 KKAAMN COc1cccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Cc2ccc(Cl)cc2)c1 ZINC000104153452 571375518 /nfs/dbraw/zinc/37/55/18/571375518.db2.gz LUEIVNMUGNCUCE-GDLZYMKVSA-N 0 1 501.026 7.384 50 0 KKAAMN COc1ccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)cc1OC ZINC000104161723 571375777 /nfs/dbraw/zinc/37/57/77/571375777.db2.gz VUHMEKSATSTFJD-CPJLOUKISA-N 0 1 512.484 6.409 50 0 KKAAMN COc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccc(Br)cc2)cc1 ZINC000104166946 571375911 /nfs/dbraw/zinc/37/59/11/571375911.db2.gz JFGFLMPWRPOVBL-HHHXNRCGSA-N 0 1 531.450 7.564 50 0 KKAAMN O[C@@H](COCc1ccccc1)CN(Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104984707 571388720 /nfs/dbraw/zinc/38/87/20/571388720.db2.gz JTVUCQXNNMSOLD-DNQXCXABSA-N 0 1 517.428 5.705 50 0 KKAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCN(C(=O)c2ccc3ccccc3c2)CC1 ZINC000105061320 571390960 /nfs/dbraw/zinc/39/09/60/571390960.db2.gz QSZBAPLRLYFOLQ-DJUQAAIZSA-N 0 1 523.702 5.530 50 0 KKAAMN C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000105061942 571391025 /nfs/dbraw/zinc/39/10/25/571391025.db2.gz HSCHHAAYXUKTPQ-XHCCPWGMSA-N 0 1 574.644 6.008 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000105795208 571408733 /nfs/dbraw/zinc/40/87/33/571408733.db2.gz QBPQPBWTXZKNEU-JCYYIGJDSA-N 0 1 617.427 5.867 50 0 KKAAMN CC(C)(C)c1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc(C(C)(C)C)c1O ZINC000105796008 571408758 /nfs/dbraw/zinc/40/87/58/571408758.db2.gz UTCYUDYBHIVTMJ-ZWEKWIFMSA-N 0 1 577.519 6.801 50 0 KKAAMN CC(C)(C)C(=O)[C@@H]1C(=C(O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000106536056 571412929 /nfs/dbraw/zinc/41/29/29/571412929.db2.gz AOQJUWHDEYTHRR-PCEYSVKOSA-N 0 1 545.466 6.582 50 0 KKAAMN CC(C)(C)C(=O)[C@@H]1C(=C(O)c2ccc(F)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000106535118 571412949 /nfs/dbraw/zinc/41/29/49/571412949.db2.gz FFFLNPZJGHOYDF-PCEYSVKOSA-N 0 1 529.011 6.068 50 0 KKAAMN Cc1cc(C(=O)Oc2ccc([C@@H]3c4c(O)n(-c5ccc(Cl)c(Cl)c5)c(O)c4ON3c3ccccc3)cc2)n(C)n1 ZINC000106805905 571418400 /nfs/dbraw/zinc/41/84/00/571418400.db2.gz PCLIYQSQRUVLBO-TWJOJJKGSA-N 0 1 577.424 5.306 50 0 KKAAMN CC(NC[C@@H]1c2ccccc2C(=O)N(CCc2ccccc2)[C@@H]1c1ccc2c(c1)c1ccccc1n2C)=C1C(=O)NC(=O)N(C)C1=O ZINC000110961709 571431839 /nfs/dbraw/zinc/43/18/39/571431839.db2.gz IHBVCQHBKNABEK-FZSKBSOKSA-N 0 1 625.729 5.427 50 0 KKAAMN COc1cc(C(=O)OCCN2CCN(CC/C=C3/c4ccccc4CSc4ccccc43)CC2)cc(OC)c1OC ZINC000135693409 571448805 /nfs/dbraw/zinc/44/88/05/571448805.db2.gz APQITQRAFUZEHH-PPDIBHTLSA-N 0 1 574.743 5.615 50 0 KKAAMN CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)c4ccc(OC)c(OC)c4)c(CN(CCC)CCC)c3oc2C(F)(F)F)cc1 ZINC000150389019 571471331 /nfs/dbraw/zinc/47/13/31/571471331.db2.gz WELUKLFEEVQZSG-UHFFFAOYSA-N 0 1 641.683 8.415 50 0 KKAAMN CCCN(CCC)Cc1c(OC(=O)c2cc(OC)c(OC)c(OC)c2)ccc2c(=O)c(Oc3ccc(C)c(C)c3)c(C(F)(F)F)oc21 ZINC000150389087 571471435 /nfs/dbraw/zinc/47/14/35/571471435.db2.gz CGBSINPPINIMDE-UHFFFAOYSA-N 0 1 657.682 8.088 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000150396107 571476291 /nfs/dbraw/zinc/47/62/91/571476291.db2.gz HWAWYDAEOFZDMI-HKBQPEDESA-N 0 1 664.272 5.676 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=S)N2CCCN2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000150396374 571476467 /nfs/dbraw/zinc/47/64/67/571476467.db2.gz AQLXOFSQHSSAAU-WJOKGBTCSA-N 0 1 650.245 5.681 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCCN2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000150396386 571476508 /nfs/dbraw/zinc/47/65/08/571476508.db2.gz KRTPVRYRZIBVMA-PMERELPUSA-N 0 1 654.664 6.325 50 0 KKAAMN Cc1cc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2ccc3c(c2)OCO3)ccc1Br ZINC000150403234 571478653 /nfs/dbraw/zinc/47/86/53/571478653.db2.gz ANMOMCZYUZRQSX-YADHBBJMSA-N 0 1 643.104 6.853 50 0 KKAAMN COc1cc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cccc(Cl)c2C)cc(OC)c1OC ZINC000150403396 571478803 /nfs/dbraw/zinc/47/88/03/571478803.db2.gz KDPYOPGPXPCHIT-DHIUTWEWSA-N 0 1 644.722 7.041 50 0 KKAAMN CC(=O)Nc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4ccc(-c5nc(-c6ccc(NC(C)=O)cc6)[nH]c5-c5ccccc5)cc4)cc3)[nH]2)cc1 ZINC000150407865 571480347 /nfs/dbraw/zinc/48/03/47/571480347.db2.gz FNCDDWLTHYMHAQ-UHFFFAOYSA-N 0 1 704.834 10.719 50 0 KKAAMN CC(=O)Nc1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc(-c6ccc(NC(C)=O)cc6)[nH]c5-c5ccccc5)cc4)cc3)c(-c3ccccc3)[nH]2)cc1 ZINC000150407865 571480349 /nfs/dbraw/zinc/48/03/49/571480349.db2.gz FNCDDWLTHYMHAQ-UHFFFAOYSA-N 0 1 704.834 10.719 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)ccc1N1CCCC1 ZINC000150408074 571480577 /nfs/dbraw/zinc/48/05/77/571480577.db2.gz HLKQHOLPIASTLW-UHFFFAOYSA-N 0 1 650.779 5.182 50 0 KKAAMN O=C1C(Nc2ccc(Br)cc2)=C(Sc2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2)C(=O)N1Cc1ccco1 ZINC000150412628 571484391 /nfs/dbraw/zinc/48/43/91/571484391.db2.gz PPIRWUVTGSGTSL-UHFFFAOYSA-N 0 1 679.401 7.135 50 0 KKAAMN CCOc1cc([C@@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)CC(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000150419804 571487157 /nfs/dbraw/zinc/48/71/57/571487157.db2.gz FDTZXCWWFQBVBO-KSXAPKRDSA-N 0 1 649.231 10.222 50 0 KKAAMN CCOc1cc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)ccc1OCc1ccc(Cl)cc1 ZINC000150419646 571487204 /nfs/dbraw/zinc/48/72/04/571487204.db2.gz FPLVFHJDZSWAGN-GZGVDWRWSA-N 0 1 647.093 9.430 50 0 KKAAMN COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(SC2=C(Nc3ccc(Br)cc3)C(=O)N(C(C)C)C2=O)cc1 ZINC000150423560 571488827 /nfs/dbraw/zinc/48/88/27/571488827.db2.gz FHKRNPKNEOJCFD-UHFFFAOYSA-N 0 1 681.428 6.214 50 0 KKAAMN O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1[C@H](C(=O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000150428309 571491891 /nfs/dbraw/zinc/49/18/91/571491891.db2.gz HFKVUXRQAYZYBS-GEHWIAFRSA-N 0 1 681.586 7.755 50 0 KKAAMN Cc1cccc(CN2C(=O)/C(=C/c3ccccc3)Sc3ccc(C(=O)NCCCN4CCN(c5cc(Cl)ccc5C)CC4)cc32)c1 ZINC000150433938 571494768 /nfs/dbraw/zinc/49/47/68/571494768.db2.gz XXXRGCHSJYXBTM-GMEAVFFOSA-N 0 1 651.276 7.579 50 0 KKAAMN COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](c4cc(OC)c(OC)c(OC)c4)C3)[C@@H]2c2cccc(F)c2)cc(OC)c1OC ZINC000150439507 571497443 /nfs/dbraw/zinc/49/74/43/571497443.db2.gz UCTLPMCGKXJLHF-DGOBPVDHSA-N 0 1 668.718 7.741 50 0 KKAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccc(S(=O)(=O)N(C)c4c(C)n(C)n(-c5ccccc5)c4=O)c3)ccc2Cl)cc1 ZINC000150449174 571501845 /nfs/dbraw/zinc/50/18/45/571501845.db2.gz NXASMMMYGRYBOK-UHFFFAOYSA-N 0 1 696.207 5.025 50 0 KKAAMN COc1ccc(Br)cc1[C@H]1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)C(=O)N1c1ccc(Br)cc1 ZINC000150453535 571503577 /nfs/dbraw/zinc/50/35/77/571503577.db2.gz LCTLBAFFGVTLRX-SFTDATJTSA-N 0 1 693.990 7.587 50 0 KKAAMN COc1ccc(Br)cc1[C@@H]1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)C(=O)N1c1ccc(Br)cc1 ZINC000150453539 571503590 /nfs/dbraw/zinc/50/35/90/571503590.db2.gz LCTLBAFFGVTLRX-NHCUHLMSSA-N 0 1 693.990 7.587 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000150457379 571504724 /nfs/dbraw/zinc/50/47/24/571504724.db2.gz QBRYVBBYJJPODK-NLDZOOGBSA-N 0 1 664.350 6.850 50 0 KKAAMN Cn1cc(-c2nc(-c3ccc(-c4ccc(-c5[nH]c(-c6cn(C)c7ccccc67)nc5-c5ccccc5)cc4)cc3)c(-c3ccccc3)[nH]2)c2ccccc21 ZINC000150551231 571520834 /nfs/dbraw/zinc/52/08/34/571520834.db2.gz RGFBZFWVHDUSBW-UHFFFAOYSA-N 0 1 696.858 11.785 50 0 KKAAMN Cn1cc(-c2nc(-c3ccc(-c4ccc(-c5nc(-c6cn(C)c7ccccc67)[nH]c5-c5ccccc5)cc4)cc3)c(-c3ccccc3)[nH]2)c2ccccc21 ZINC000150551231 571520835 /nfs/dbraw/zinc/52/08/35/571520835.db2.gz RGFBZFWVHDUSBW-UHFFFAOYSA-N 0 1 696.858 11.785 50 0 KKAAMN c1ccc(C2=NN(c3ccccc3)[C@H](CCCC[C@H]3N(c4ccccc4)N=C(c4ccccc4)NN3c3ccccc3)N(c3ccccc3)N2)cc1 ZINC000150656754 571527037 /nfs/dbraw/zinc/52/70/37/571527037.db2.gz DIWSEKOCJGAXIV-UHFFFAOYSA-N 0 1 682.876 8.985 50 0 KKAAMN CCCCc1ccc(C(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000169680882 571557325 /nfs/dbraw/zinc/55/73/25/571557325.db2.gz KMBSGQASVNVNGI-GTYOFVGBSA-N 0 1 547.740 5.941 50 0 KKAAMN O=C(NCc1ccc(F)cc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169681805 571557573 /nfs/dbraw/zinc/55/75/73/571557573.db2.gz LRNXZRZFTIELAZ-RSXGOPAZSA-N 0 1 515.526 5.163 50 0 KKAAMN O=C(NCc1ccc(F)cc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12 ZINC000169681805 571557574 /nfs/dbraw/zinc/55/75/74/571557574.db2.gz LRNXZRZFTIELAZ-RSXGOPAZSA-N 0 1 515.526 5.163 50 0 KKAAMN O=C(NCc1ccc(F)cc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12 ZINC000169681806 571557741 /nfs/dbraw/zinc/55/77/41/571557741.db2.gz LRNXZRZFTIELAZ-AHWVRZQESA-N 0 1 515.526 5.163 50 0 KKAAMN O=C(CN1CCCC1)N1N=C(c2c(=O)[nH]c3ccc(Br)cc3c2-c2ccccc2)C[C@@H]1c1cccc(Br)c1 ZINC000170620045 571562392 /nfs/dbraw/zinc/56/23/92/571562392.db2.gz BSFOXQBFFJSIEO-AREMUKBSSA-N 0 1 634.372 6.906 50 0 KKAAMN Clc1ccc(Cn2nc(CNCCSc3nnnn3-c3ccccc3)c(-c3ccccc3)n2)c(Cl)c1 ZINC000261492643 572110949 /nfs/dbraw/zinc/11/09/49/572110949.db2.gz XHDFCKDONLAEBH-UHFFFAOYSA-N 0 1 537.480 5.158 50 0 KKAAMN COc1ccc(CCOc2c(OC)cccc2[C@@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(OC)c(OC)c5)coc-4c32)cc1 ZINC000263585643 572119402 /nfs/dbraw/zinc/11/94/02/572119402.db2.gz KYMBGRIWXLLXQF-DEOSSOPVSA-N 0 1 624.642 6.263 50 0 KKAAMN COC(=O)c1ccc(-c2ccc([C@H]3CC(=O)Oc4cc(=O)c5c(O)c(-c6ccc(OC)c(OC)c6)coc-5c43)o2)cc1 ZINC000263585945 572121229 /nfs/dbraw/zinc/12/12/29/572121229.db2.gz OBWJXZXWGFDGIU-LJQANCHMSA-N 0 1 568.534 5.670 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccccc4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000226820527 572141912 /nfs/dbraw/zinc/14/19/12/572141912.db2.gz CFJLSOMVIOXMQA-UPRLRBBYSA-N 0 1 538.531 5.105 50 0 KKAAMN COc1cccc(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000226888548 572144713 /nfs/dbraw/zinc/14/47/13/572144713.db2.gz XRENAJQEJDRCEY-FFAHVWSXSA-N 0 1 532.621 5.613 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2C(=C(O)c3ccncc3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000226913631 572145174 /nfs/dbraw/zinc/14/51/74/572145174.db2.gz HYGHLBUQCYKRDY-WYODCFETSA-N 0 1 539.635 5.945 50 0 KKAAMN Cc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccc(Cl)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000226913686 572145256 /nfs/dbraw/zinc/14/52/56/572145256.db2.gz LXVVKALZLAJWHU-YQQRZDPSSA-N 0 1 545.038 6.505 50 0 KKAAMN O=C(c1cccs1)[C@@H]1C(=C(O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000226921986 572145322 /nfs/dbraw/zinc/14/53/22/572145322.db2.gz PIVQSAQTISNSTM-ALBQUZEBSA-N 0 1 537.040 6.258 50 0 KKAAMN 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 572147219 /nfs/dbraw/zinc/14/72/19/572147219.db2.gz RFPUSBURMCLQQW-UIUKDCGCSA-N 0 1 590.701 6.320 50 0 KKAAMN CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227021557 572147247 /nfs/dbraw/zinc/14/72/47/572147247.db2.gz PWVNPKHAWAWJDD-MNFIMQGSSA-N 0 1 553.102 6.881 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000227025782 572147569 /nfs/dbraw/zinc/14/75/69/572147569.db2.gz SNCHPGRCAVKONL-ZGIBFIJWSA-N 0 1 619.899 6.741 50 0 KKAAMN CC(C)Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227065851 572148137 /nfs/dbraw/zinc/14/81/37/572148137.db2.gz QPAIKQZCNOUISO-IRYJCKHSSA-N 0 1 567.129 7.127 50 0 KKAAMN CC(C)Cc1ccc(C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227065833 572148185 /nfs/dbraw/zinc/14/81/85/572148185.db2.gz QPAIKQZCNOUISO-JRLXJTRMSA-N 0 1 567.129 7.127 50 0 KKAAMN COc1ccc(C(O)=C2[C@@H](C(=O)c3ccccc3Cl)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227066536 572148835 /nfs/dbraw/zinc/14/88/35/572148835.db2.gz PRZYEIBVGKCEPV-WFPUBZAHSA-N 0 1 561.037 6.205 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2C(=C(O)c3ccc(Cl)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N23)cc1 ZINC000227230878 572150926 /nfs/dbraw/zinc/15/09/26/572150926.db2.gz WTVQPCPUGQEZOF-ZHTWWQSJSA-N 0 1 573.092 7.203 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2C(=C(O)c3ccc(CC(C)C)cc3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000227231078 572150935 /nfs/dbraw/zinc/15/09/35/572150935.db2.gz HYIHZOXHVDKUTQ-ZIXRCHEUSA-N 0 1 594.755 7.748 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2C(=C(O)c3ccc(C)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000227240228 572152208 /nfs/dbraw/zinc/15/22/08/572152208.db2.gz JKDVOPPSKQIMEM-NXPJMSRNSA-N 0 1 552.674 6.858 50 0 KKAAMN COc1cccc(C(O)=C2[C@H](C(=O)c3ccccc3Cl)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000227241304 572152278 /nfs/dbraw/zinc/15/22/78/572152278.db2.gz NGPBQPKJAPJDSF-YQQRZDPSSA-N 0 1 561.037 6.205 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccc(Cl)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227244175 572152736 /nfs/dbraw/zinc/15/27/36/572152736.db2.gz KBDZSYVWOIXFFL-NLVFCZGTSA-N 0 1 573.092 7.149 50 0 KKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(Br)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(C)ccc3N12 ZINC000229613348 572156596 /nfs/dbraw/zinc/15/65/96/572156596.db2.gz HHQMTGCKXNUNFX-OSSDZZHWSA-N 0 1 527.418 5.320 50 0 KKAAMN Cc1cc(Cl)cc2c1NC(=O)[C@@]21N[C@H](Cc2c[nH]c3ccccc23)[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]21 ZINC000229647193 572159058 /nfs/dbraw/zinc/15/90/58/572159058.db2.gz RPUKYEYTCDNLPT-CDLOMYRSSA-N 0 1 563.416 5.090 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3cccc(OC)c3)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229866515 572162320 /nfs/dbraw/zinc/16/23/20/572162320.db2.gz KNZGIGYEWUSNDD-CSSWAUQYSA-N 0 1 584.672 6.258 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3cccc(OC)c3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N32)c1 ZINC000229863760 572162508 /nfs/dbraw/zinc/16/25/08/572162508.db2.gz KEORPAHOPHBSOM-NXPJMSRNSA-N 0 1 584.672 6.258 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2C(=C(O)c3ccccc3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4ccccc4N32)cc1 ZINC000229893803 572166067 /nfs/dbraw/zinc/16/60/67/572166067.db2.gz CYZCJQRBAXQVNH-OLBUMSFYSA-N 0 1 540.619 5.941 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccc(CC(C)C)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000229895785 572166678 /nfs/dbraw/zinc/16/66/78/572166678.db2.gz YVZIQDUSNTVFNS-LEQHPHMVSA-N 0 1 580.728 7.440 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccc(C)cc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229911554 572168351 /nfs/dbraw/zinc/16/83/51/572168351.db2.gz PCDDREDJSVDBSH-BEJGJRQXSA-N 0 1 552.674 6.804 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@H](C(=O)c3cccc(OC)c3)N3c4ccccc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229939623 572171770 /nfs/dbraw/zinc/17/17/70/572171770.db2.gz ZFQGJWRMPKSSCL-OHVVKICRSA-N 0 1 582.700 6.894 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c2ccc3c(c2)OCO3)[C@@]12c1ccccc1NC2=O ZINC000229957896 572173813 /nfs/dbraw/zinc/17/38/13/572173813.db2.gz PRJYDBXFTUUXMI-GDDXUJBHSA-N 0 1 548.639 5.702 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(=C(O)c2ccc(F)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000230034374 572180745 /nfs/dbraw/zinc/18/07/45/572180745.db2.gz LQAIAPFEDGJJKY-AGKKXDHOSA-N 0 1 548.639 6.442 50 0 KKAAMN Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)CSc1nnc2c3ccccc3n(CCc3ccccc3)c2n1 ZINC000230066030 572182397 /nfs/dbraw/zinc/18/23/97/572182397.db2.gz OUDOPQGDHPZRET-LBNVMWSVSA-N 0 1 548.716 5.457 50 0 KKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1O[C@H](C)CC ZINC000230095862 572183192 /nfs/dbraw/zinc/18/31/92/572183192.db2.gz GFYWSKZRDYFRCN-KRDILKHZSA-N 0 1 554.687 7.841 50 0 biogenic KKAAMN Cc1ccc(C(O)=C2[C@@H](C(=O)c3cccs3)N3c4ccccc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245309974 572228022 /nfs/dbraw/zinc/22/80/22/572228022.db2.gz GNARQZJKIVFXNO-CILKRHGOSA-N 0 1 530.649 6.303 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccc(F)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N32)c1 ZINC000245312090 572229748 /nfs/dbraw/zinc/22/97/48/572229748.db2.gz SDVTXTLGUFYSAS-HPNWTYDNSA-N 0 1 544.582 5.690 50 0 KKAAMN Cc1ccc(C(O)=C2[C@@H](C(=O)c3ccccc3Cl)N3c4ccccc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245325264 572231351 /nfs/dbraw/zinc/23/13/51/572231351.db2.gz DNYVYVFATVMBQS-OLBUMSFYSA-N 0 1 559.065 6.895 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccc(CC(C)C)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)c1 ZINC000245328168 572234883 /nfs/dbraw/zinc/23/48/83/572234883.db2.gz SQNVYPDRDQGODL-OSKZQZQDSA-N 0 1 596.727 7.140 50 0 KKAAMN O=C(NCc1ccccc1Cl)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247459673 572242220 /nfs/dbraw/zinc/24/22/20/572242220.db2.gz AKLWVYCKPKUJCH-HXUWFJFHSA-N 0 1 537.889 5.970 50 0 KKAAMN O=C(NCc1ccc(Br)cc1)[C@H]1CCCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247469526 572242373 /nfs/dbraw/zinc/24/23/73/572242373.db2.gz DXTKWLCQENMOIQ-QFIPXVFZSA-N 0 1 551.916 6.029 50 0 KKAAMN O=C(NCc1ccc(Cl)cc1)[C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247473594 572242500 /nfs/dbraw/zinc/24/25/00/572242500.db2.gz GJGLIWOKJLUHIJ-FQEVSTJZSA-N 0 1 537.889 5.970 50 0 KKAAMN O=C(NCc1ccc(Cl)cc1)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247482626 572242590 /nfs/dbraw/zinc/24/25/90/572242590.db2.gz JNAKOLFAGAUTIQ-HXUWFJFHSA-N 0 1 537.889 5.970 50 0 KKAAMN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247467789 572242620 /nfs/dbraw/zinc/24/26/20/572242620.db2.gz DCZVUUBAPVJPPK-KRWDZBQOSA-N 0 1 558.307 6.946 50 0 KKAAMN O=C(Nc1cccc2ccccc21)[C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247724480 572243839 /nfs/dbraw/zinc/24/38/39/572243839.db2.gz CLLWSCYJXFXQIC-QFIPXVFZSA-N 0 1 539.477 6.792 50 0 KKAAMN O=C(Nc1ccc(Br)cc1)[C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247743902 572244475 /nfs/dbraw/zinc/24/44/75/572244475.db2.gz PGVMPDSGAYWRRB-SFHVURJKSA-N 0 1 568.313 6.401 50 0 KKAAMN O=C(Nc1cccc(Cl)c1Cl)[C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247754743 572244743 /nfs/dbraw/zinc/24/47/43/572244743.db2.gz WNICLMRSUCSYHR-KRWDZBQOSA-N 0 1 558.307 6.946 50 0 KKAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccc(F)c(Cl)c2)CC1 ZINC000247840042 572246032 /nfs/dbraw/zinc/24/60/32/572246032.db2.gz FBBBCXJDCSHISH-OAQYLSRUSA-N 0 1 550.053 5.518 50 0 KKAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000247847177 572246254 /nfs/dbraw/zinc/24/62/54/572246254.db2.gz HJMDVTOCDGYVQQ-JOCHJYFZSA-N 0 1 626.521 6.368 50 0 KKAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000247859654 572246553 /nfs/dbraw/zinc/24/65/53/572246553.db2.gz MDORLIAZVNIAEA-QHCPKHFHSA-N 0 1 596.990 6.606 50 0 KKAAMN Cc1cccc(C)c1N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000247857616 572246558 /nfs/dbraw/zinc/24/65/58/572246558.db2.gz DNSRONZYSXNCCQ-HHHXNRCGSA-N 0 1 556.154 5.916 50 0 KKAAMN Cc1ccc(N2CCN(C(=O)[C@H]3CCCN(Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)c(C)c1 ZINC000247865090 572246825 /nfs/dbraw/zinc/24/68/25/572246825.db2.gz IHHFWVCVXULHBX-MHZLTWQESA-N 0 1 556.154 5.916 50 0 KKAAMN Cc1ccc(C)c(N2CCN(C(=O)[C@H]3CCCN(Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)c1 ZINC000247868731 572247056 /nfs/dbraw/zinc/24/70/56/572247056.db2.gz KFTKQTUFVJDYIC-VWLOTQADSA-N 0 1 586.578 5.966 50 0 KKAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000247868527 572247233 /nfs/dbraw/zinc/24/72/33/572247233.db2.gz PTIBIMXEMKNYEZ-HSZRJFAPSA-N 0 1 596.990 6.606 50 0 KKAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000247873207 572247423 /nfs/dbraw/zinc/24/74/23/572247423.db2.gz RUSNWBKXAORXGO-JOCHJYFZSA-N 0 1 576.514 5.488 50 0 KKAAMN COc1ccc(Cn2c(CN3CCC[C@@H](C(=O)N4CCN(c5cc(Cl)ccc5Cl)CC4)C3)nc3ccccc32)cc1 ZINC000247874520 572247524 /nfs/dbraw/zinc/24/75/24/572247524.db2.gz GMGMJUPYEJPEDF-XMMPIXPASA-N 0 1 592.571 5.961 50 0 KKAAMN Cc1ccc(C)c(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)c1 ZINC000247881011 572247780 /nfs/dbraw/zinc/24/77/80/572247780.db2.gz RDFDXHVNHQLXEE-RUZDIDTESA-N 0 1 586.578 5.966 50 0 KKAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2ccccc2Cl)CC1 ZINC000247886278 572248322 /nfs/dbraw/zinc/24/83/22/572248322.db2.gz XEODKSKSGLSJND-JOCHJYFZSA-N 0 1 592.969 6.002 50 0 KKAAMN Cc1cccc(C)c1N1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000247885027 572248444 /nfs/dbraw/zinc/24/84/44/572248444.db2.gz SRUNXSHMUHYJHG-VWLOTQADSA-N 0 1 586.578 5.966 50 0 KKAAMN Cc1ccc(N2CCN(C(=O)[C@H]3CCCN(Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)c(C)c1 ZINC000247895528 572248749 /nfs/dbraw/zinc/24/87/49/572248749.db2.gz XGSWPXZTRYBFCW-VWLOTQADSA-N 0 1 525.672 5.342 50 0 KKAAMN O=C(c1ccc(Cl)c(Cl)c1)N1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000247955211 572250694 /nfs/dbraw/zinc/25/06/94/572250694.db2.gz VEGXQLXXALXIEM-QFIPXVFZSA-N 0 1 594.518 5.668 50 0 KKAAMN Cc1ccccc1NC(=O)[C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247977988 572251135 /nfs/dbraw/zinc/25/11/35/572251135.db2.gz DSBGSLZZFXMPGG-FQEVSTJZSA-N 0 1 503.444 5.947 50 0 KKAAMN CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1ccc(Cl)cc1N1CCN(Cc3ccccc3)C[C@H]12 ZINC000247997860 572251622 /nfs/dbraw/zinc/25/16/22/572251622.db2.gz DMBVCXJRXPFFAC-XCZPVHLTSA-N 0 1 505.449 5.649 50 0 KKAAMN O=C(c1ccccc1)[C@@H]1C(=C(O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N21 ZINC000248002438 572251887 /nfs/dbraw/zinc/25/18/87/572251887.db2.gz REYGPJKHQQHCIW-KCIBBDPESA-N 0 1 531.011 6.196 50 0 KKAAMN CCCCN(CCC)C(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000248025745 572252605 /nfs/dbraw/zinc/25/26/05/572252605.db2.gz WBYNSQPNMALRTQ-OAQYLSRUSA-N 0 1 511.508 6.039 50 0 KKAAMN Cc1ccccc1N1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000248108428 572253747 /nfs/dbraw/zinc/25/37/47/572253747.db2.gz MNFCGMDFUWCTHJ-DEOSSOPVSA-N 0 1 572.551 5.657 50 0 KKAAMN COc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)cc1 ZINC000248132220 572254759 /nfs/dbraw/zinc/25/47/59/572254759.db2.gz LDTGQIZAYNSNJX-LJQANCHMSA-N 0 1 519.443 5.647 50 0 KKAAMN COc1ccc(NC(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)cc1 ZINC000248132220 572254760 /nfs/dbraw/zinc/25/47/60/572254760.db2.gz LDTGQIZAYNSNJX-LJQANCHMSA-N 0 1 519.443 5.647 50 0 KKAAMN COc1cccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)c1 ZINC000248139293 572255087 /nfs/dbraw/zinc/25/50/87/572255087.db2.gz OSBHOLAHQMDFCS-HSZRJFAPSA-N 0 1 588.550 5.357 50 0 KKAAMN COc1cccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)c1 ZINC000248139293 572255089 /nfs/dbraw/zinc/25/50/89/572255089.db2.gz OSBHOLAHQMDFCS-HSZRJFAPSA-N 0 1 588.550 5.357 50 0 KKAAMN COc1cccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000248141537 572255280 /nfs/dbraw/zinc/25/52/80/572255280.db2.gz QCJAKAPRBRZDBT-IANDGLOUSA-N 0 1 526.592 5.551 50 0 KKAAMN Cc1ccccc1CNC(=O)[C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000248152181 572255761 /nfs/dbraw/zinc/25/57/61/572255761.db2.gz KHVUPPGFGWXEDT-QFIPXVFZSA-N 0 1 517.471 5.625 50 0 KKAAMN Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)c1C ZINC000248160185 572255986 /nfs/dbraw/zinc/25/59/86/572255986.db2.gz ODJQVBCFNBETAD-RUZDIDTESA-N 0 1 586.578 5.966 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)[C@H](C(=O)c1ccc(F)cc1)[C@]21C(=O)Nc2ccccc21 ZINC000248261215 572257343 /nfs/dbraw/zinc/25/73/43/572257343.db2.gz MLTJVINZDMTDMW-ACIRYHQQSA-N 0 1 508.593 5.804 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000248265316 572257412 /nfs/dbraw/zinc/25/74/12/572257412.db2.gz NZRGXNYNQIZRMS-NIWNGRQCSA-N 0 1 506.602 5.284 50 0 KKAAMN C[C@@H](NC(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)c1ccccc1 ZINC000248262272 572257438 /nfs/dbraw/zinc/25/74/38/572257438.db2.gz RCSJLSWMZMUQPD-IFMALSPDSA-N 0 1 517.471 5.877 50 0 KKAAMN CCCCN(CCCC)C(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000248270723 572257623 /nfs/dbraw/zinc/25/76/23/572257623.db2.gz ZJQPMHDIWJAZIW-JOCHJYFZSA-N 0 1 525.535 6.429 50 0 KKAAMN C[C@@H](NC(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)c1ccccc1 ZINC000248274428 572257718 /nfs/dbraw/zinc/25/77/18/572257718.db2.gz XQGNBFUTMDLDSY-IFMALSPDSA-N 0 1 517.471 5.877 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c1ccc(CC(C)C)cc1)[C@]21c2ccccc2NC1=O ZINC000248290251 572257747 /nfs/dbraw/zinc/25/77/47/572257747.db2.gz SDVIFERUKJDMKH-MSMWPWNWSA-N 0 1 546.711 6.864 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)C(C)(C)C)[C@H](C(=O)c1ccc3c(c1)OCO3)[C@]21c2ccccc2NC1=O ZINC000248292436 572257845 /nfs/dbraw/zinc/25/78/45/572257845.db2.gz USPDOZISWIZQIT-YENKVUBUSA-N 0 1 534.612 5.394 50 0 KKAAMN CCc1ccc(NC(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1 ZINC000251979315 572259779 /nfs/dbraw/zinc/25/97/79/572259779.db2.gz FKUUBVMKHXGVTQ-OAQYLSRUSA-N 0 1 517.471 6.201 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2[C@H](C(=O)OC(c3ccccc3)c3ccccc3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000253389836 572283484 /nfs/dbraw/zinc/28/34/84/572283484.db2.gz QNJZVDBFOWNGGF-IBHRRMRLSA-N 0 1 632.716 7.001 50 0 KKAAMN COc1cc(OC)c([C@H](CC(=O)N2CCCCC2)c2c(=O)cc(O)c3c(O)cc(-c4ccccc4)oc2-3)cc1OC ZINC000253404293 572285840 /nfs/dbraw/zinc/28/58/40/572285840.db2.gz HTIQIWIPJCEUQS-NRFANRHFSA-N 0 1 559.615 5.432 50 0 KKAAMN CC(=O)c1c(O)c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1ccccc1OCCc1ccc2c(c1)CCO2 ZINC000253404904 572286056 /nfs/dbraw/zinc/28/60/56/572286056.db2.gz IABVNYFLXGNEQC-OAQYLSRUSA-N 0 1 526.541 5.007 50 0 KKAAMN COc1cc([C@H](CC(=O)N2CCCCC2)c2c(=O)cc(O)c3c(O)cc(-c4ccccc4)oc2-3)cc(OC)c1O ZINC000253410684 572287378 /nfs/dbraw/zinc/28/73/78/572287378.db2.gz NPEUUGMNKVWNML-FQEVSTJZSA-N 0 1 545.588 5.129 50 0 KKAAMN COc1ccc2occ([C@H](CC(=O)N3CCCCC3)c3c(=O)cc(O)c4c(O)cc(-c5ccccc5)oc3-4)c(=O)c2c1 ZINC000253412302 572287867 /nfs/dbraw/zinc/28/78/67/572287867.db2.gz QNZUFVVYFGILGU-NRFANRHFSA-N 0 1 567.594 5.521 50 0 KKAAMN COc1cccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccc(Cl)cc5)coc-4c32)c1OCCc1ccc2c(c1)CCO2 ZINC000253412232 572287933 /nfs/dbraw/zinc/28/79/33/572287933.db2.gz QHGWHGIVPAPRJT-XMMPIXPASA-N 0 1 611.046 6.825 50 0 KKAAMN COc1ccc(CCOc2ccccc2[C@@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)cc1 ZINC000253412921 572288236 /nfs/dbraw/zinc/28/82/36/572288236.db2.gz SLXFYCDKLPOKIF-NRFANRHFSA-N 0 1 514.530 5.081 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)Nc3n[nH]c(CCC4CCCC4)n3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253412982 572288273 /nfs/dbraw/zinc/28/82/73/572288273.db2.gz SQNZABIPTKALOQ-FKAPRUDGSA-N 0 1 646.789 5.179 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)Nc3nc(CCC4CCCC4)n[nH]3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000253412982 572288274 /nfs/dbraw/zinc/28/82/74/572288274.db2.gz SQNZABIPTKALOQ-FKAPRUDGSA-N 0 1 646.789 5.179 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3cccc(OC)c3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4cc(C)ccc4N32)c1 ZINC000253487432 572290533 /nfs/dbraw/zinc/29/05/33/572290533.db2.gz KEORPAHOPHBSOM-HREFQMLDSA-N 0 1 584.672 6.258 50 0 KKAAMN 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CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)COc5cc(O)c6c(=O)cc(-c7ccccc7)oc6c5)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253506711 572297524 /nfs/dbraw/zinc/29/75/24/572297524.db2.gz WXIZXILJEQMMHV-QZZOUKOOSA-N 0 1 680.926 10.498 50 0 KKAAMN CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)COc5cc(O)c6c(=O)cc(-c7ccccc7)oc6c5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000253506709 572297549 /nfs/dbraw/zinc/29/75/49/572297549.db2.gz WXIZXILJEQMMHV-MVKZVMNLSA-N 0 1 680.926 10.498 50 0 KKAAMN CC(C)c1ccc(N2CCN(C(=O)[C@H]3CCCN(Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)cc1 ZINC000253607190 572300898 /nfs/dbraw/zinc/30/08/98/572300898.db2.gz APNQHROHZBDXOL-SANMLTNESA-N 0 1 539.699 5.849 50 0 KKAAMN CC(C)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000253607535 572301030 /nfs/dbraw/zinc/30/10/30/572301030.db2.gz IBAPXSMXRSAOHU-OAQYLSRUSA-N 0 1 531.498 6.762 50 0 KKAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N(C1CCCCC1)C1CCCCC1 ZINC000253616779 572301496 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COc1ccccc1Nc1c2cc(NC(=O)/C=C/c3ccc(Br)cc3)ccc2nc2c1CCCC2 ZINC000003646041 552401718 /nfs/dbraw/zinc/40/17/18/552401718.db2.gz MNDMNDWRUUMPPG-SFQUDFHCSA-N 0 1 528.450 7.280 50 0 KKAAMN COc1ccc(CCN(C)CCCOc2ccc(S(=O)(=O)c3c(C(C)C)c4ccccc4n3C)cc2)cc1OC ZINC000003930015 552422735 /nfs/dbraw/zinc/42/27/35/552422735.db2.gz GCVFQRRBTCHIPK-UHFFFAOYSA-N 0 1 564.748 6.095 50 0 in-vitro KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ccc(SC(F)F)cc3)C2=O)c1 ZINC000006101396 552534549 /nfs/dbraw/zinc/53/45/49/552534549.db2.gz QVUPUIXFNURLBI-XIEYBQDHSA-N 0 1 607.660 6.451 50 0 KKAAMN C[C@H](OC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000006141870 552542990 /nfs/dbraw/zinc/54/29/90/552542990.db2.gz PITTXPMUUNFBNG-QHCPKHFHSA-N 0 1 586.666 5.033 50 0 KKAAMN CC1(C)Cc2oc3c(cc(NS(=O)(=O)c4ccc5c6c(cccc64)C(=O)N5)c4ccccc34)c2C(=O)C1 ZINC000006142950 552544603 /nfs/dbraw/zinc/54/46/03/552544603.db2.gz BYKDQIOLIRVQEM-UHFFFAOYSA-N 0 1 510.571 6.261 50 0 KKAAMN CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccccc2NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1C ZINC000006144763 552547248 /nfs/dbraw/zinc/54/72/48/552547248.db2.gz YNGAEWPSTXHCKQ-MRXNPFEDSA-N 0 1 566.554 5.056 50 0 KKAAMN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1C ZINC000006146145 552547695 /nfs/dbraw/zinc/54/76/95/552547695.db2.gz YIYOECNKEGAZFI-UHFFFAOYSA-N 0 1 573.067 6.746 50 0 KKAAMN COc1ccc(-c2csc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)c(F)c3)n2)cc1 ZINC000006146423 552548013 /nfs/dbraw/zinc/54/80/13/552548013.db2.gz CUQBLPWFKHAAND-UHFFFAOYSA-N 0 1 501.536 5.150 50 0 KKAAMN COc1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)cc3C)cc2)cc1 ZINC000006146655 552548306 /nfs/dbraw/zinc/54/83/06/552548306.db2.gz TWBWYELAWXJLEU-UHFFFAOYSA-N 0 1 533.581 5.448 50 0 KKAAMN COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3OC)cc2)cc1 ZINC000008395844 552993964 /nfs/dbraw/zinc/99/39/64/552993964.db2.gz IQCGSRJOSFTTMR-UHFFFAOYSA-N 0 1 671.797 6.461 50 0 KKAAMN O=C(Nc1ccc2[nH]c(-c3ccc(-c4nc5ccc(NC(=O)c6cccc7ccccc76)cc5[nH]4)cc3)nc2c1)c1cccc2ccccc21 ZINC000008399899 553002589 /nfs/dbraw/zinc/00/25/89/553002589.db2.gz HEPTVNNFOPVBRI-UHFFFAOYSA-N 0 1 648.726 9.584 50 0 KKAAMN Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2C(=O)Nc2ccc(Oc3ccc4ccccc4c3Br)c(Cl)c2)cc1 ZINC000008453747 553066964 /nfs/dbraw/zinc/06/69/64/553066964.db2.gz USANAFOPKFDVQV-UHFFFAOYSA-N 0 1 700.836 9.172 50 0 KKAAMN CCOc1ccc(-c2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)c(-c3ccc(F)cc3)[nH]2)cc1 ZINC000008594774 553088111 /nfs/dbraw/zinc/08/81/11/553088111.db2.gz XXMLGKCOKGGBGM-UHFFFAOYSA-N 0 1 505.571 5.784 50 0 KKAAMN CCOc1ccc(CCNC(=O)C2CCN(Cc3nc(-c4ccccc4C)oc3C)CC2)cc1OCC ZINC000008597587 553093364 /nfs/dbraw/zinc/09/33/64/553093364.db2.gz WATZZLLIKICGOJ-UHFFFAOYSA-N 0 1 505.659 5.327 50 0 KKAAMN CCc1ccc(-c2nc(CN3CCC[C@H](C(=O)N4CCN(c5cc(Cl)ccc5C)CC4)C3)c(C)o2)cc1 ZINC000008597796 553094165 /nfs/dbraw/zinc/09/41/65/553094165.db2.gz IZGZWVVFFWOPDG-VWLOTQADSA-N 0 1 521.105 5.735 50 0 KKAAMN Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2ccc3nc(N4CCCCC4)sc3c2)CC1 ZINC000008610256 553100987 /nfs/dbraw/zinc/10/09/87/553100987.db2.gz ZFFCAXQDMOXTIQ-UHFFFAOYSA-N 0 1 512.123 5.191 50 0 KKAAMN COc1cccc(C2=NN3[C@H](C2)c2cc(Br)ccc2OC32CCN(Cc3ccccc3)CC2)c1 ZINC000008717730 553129157 /nfs/dbraw/zinc/12/91/57/553129157.db2.gz IJYIBAINXSLCRV-AREMUKBSSA-N 0 1 518.455 5.994 50 0 KKAAMN [O-][C@@]1(C(F)(F)F)C=C(C=Cc2ccccc2O)[NH2+]N1c1nc(-c2ccc(Br)cc2)cs1 ZINC000008754034 553135793 /nfs/dbraw/zinc/13/57/93/553135793.db2.gz XKDYHQLEYRLWDR-JRMCHAMMSA-N 0 1 510.335 5.809 50 0 KKAAMN COc1ccccc1Nc1cc(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)c2ccccc2n1 ZINC000008814214 553151358 /nfs/dbraw/zinc/15/13/58/553151358.db2.gz VMUCCSCOPGEWKO-UHFFFAOYSA-N 0 1 530.072 5.583 50 0 KKAAMN COc1cc2nc(SCc3cnc(Cl)s3)n3c(CC4CCCCC4)c(O)nc3c2cc1OC ZINC000008873894 553174830 /nfs/dbraw/zinc/17/48/30/553174830.db2.gz DYLXHTGZJCUJHT-KRWDZBQOSA-N 0 1 505.065 5.676 50 0 KKAAMN CCOC(=O)c1c(-c2ccc(C)cc2)csc1Nc1nc2ccccc2nc1N1CCN(CC)CC1 ZINC000008927254 553191761 /nfs/dbraw/zinc/19/17/61/553191761.db2.gz SHEWHYYVPMNWDW-UHFFFAOYSA-N 0 1 501.656 5.729 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000009013208 553200134 /nfs/dbraw/zinc/20/01/34/553200134.db2.gz NZRGXNYNQIZRMS-JVPIYLDOSA-N 0 1 506.602 5.284 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2[C@H](C(C)=O)N3c4ccc5ccccc5c4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000009015682 553200524 /nfs/dbraw/zinc/20/05/24/553200524.db2.gz WFTKIDHKJDWAQE-SAHGSRCJSA-N 0 1 514.581 5.411 50 0 KKAAMN CCOc1ccc(C[C@H]2c3cc(OCC)c(OCC)cc3CCN2C(=O)CN2CCCC2)cc1OCC ZINC000009088529 553208893 /nfs/dbraw/zinc/20/88/93/553208893.db2.gz BZAYKQWIPKBNFG-VWLOTQADSA-N 0 1 510.675 5.046 50 0 biogenic KKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(Cl)c(C)cc4O)c3[C@@H]2c2ccc(O)c(OC)c2)cc1 ZINC000009124009 553212836 /nfs/dbraw/zinc/21/28/36/553212836.db2.gz NZJGIFZDMWJRAD-MHZLTWQESA-N 0 1 519.985 5.255 50 0 KKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(C)cc(C)c4O)c3[C@@H]2c2ccccc2F)cc1OC ZINC000009124252 553212850 /nfs/dbraw/zinc/21/28/50/553212850.db2.gz UJZXDCMKFQACTI-MHZLTWQESA-N 0 1 501.558 5.343 50 0 KKAAMN CCOc1ccc([C@@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2Cc2cccnc2)cc1OCC ZINC000009124312 553212905 /nfs/dbraw/zinc/21/29/05/553212905.db2.gz AUKPYIPQMLGBNA-HHHXNRCGSA-N 0 1 519.001 5.682 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccccc5OC)nc4c32)cc1 ZINC000009159508 553215302 /nfs/dbraw/zinc/21/53/02/553215302.db2.gz LUUPFWHCYUSYMW-VWLOTQADSA-N 0 1 516.561 5.589 50 0 KKAAMN COc1ccc(-c2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)C4c2ccc(OC)cc2)cc1 ZINC000009210402 553220920 /nfs/dbraw/zinc/22/09/20/553220920.db2.gz VDIDHELMUNZBKY-VWLOTQADSA-N 0 1 516.561 5.589 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccccc5Cl)nc4c32)cc1 ZINC000009215702 553221342 /nfs/dbraw/zinc/22/13/42/553221342.db2.gz GRBUPSYPFSIXKU-XMMPIXPASA-N 0 1 520.980 6.233 50 0 KKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(Cl)c(C)cc4O)c3[C@@H]2c2ccc(C)cc2)cc1OC ZINC000009243053 553226891 /nfs/dbraw/zinc/22/68/91/553226891.db2.gz ROGWDQCDKHTYFP-NDEPHWFRSA-N 0 1 518.013 5.858 50 0 KKAAMN Cc1nn(-c2ccccc2)c2c1C(c1ccccc1)c1c3nc(-c4cccc5ccccc54)nn3cnc1O2 ZINC000009281424 553233410 /nfs/dbraw/zinc/23/34/10/553233410.db2.gz WRKNEDGVBCANBR-MHZLTWQESA-N 0 1 506.569 6.725 50 0 KKAAMN CC(=O)[C@H]1C(=C(O)c2ccc(Cl)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N12 ZINC000009379880 553251568 /nfs/dbraw/zinc/25/15/68/553251568.db2.gz XCVUDGWOHCQSSU-MEWSVHOLSA-N 0 1 503.385 5.556 50 0 KKAAMN COc1cccc2c1OC1(CCN(Cc3ccccc3)CC1)N1N=C(c3ccc(Cl)cc3Cl)C[C@H]21 ZINC000009462931 553268693 /nfs/dbraw/zinc/26/86/93/553268693.db2.gz GOPMRNOOTMRKNG-RUZDIDTESA-N 0 1 508.449 6.538 50 0 KKAAMN O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1 ZINC000009495590 553274566 /nfs/dbraw/zinc/27/45/66/553274566.db2.gz BISPPQAPRHIPPU-UHFFFAOYSA-N 0 1 510.200 5.153 50 0 KKAAMN COc1ccc(NC(=O)CSc2nc(-c3ccc(OC)c(OC)c3)[nH]c2-c2ccc(C)cc2)cc1OC ZINC000009512810 553276321 /nfs/dbraw/zinc/27/63/21/553276321.db2.gz MTTQMJXVQVRTCZ-UHFFFAOYSA-N 0 1 519.623 5.817 50 0 KKAAMN CCCC1=Nc2cc(C(=O)NCCCN3CCN(c4cc(C)ccc4C)CC3)ccc2Sc2ccccc21 ZINC000009561594 553281291 /nfs/dbraw/zinc/28/12/91/553281291.db2.gz DILLSHSXBIBZPD-UHFFFAOYSA-N 0 1 526.750 6.631 50 0 KKAAMN Cc1nn(-c2ccc(C)cc2)c2nc(C)c(CCC(=O)Nc3ccc4nc(-c5cccnc5)[nH]c4c3)c(C)c12 ZINC000009610229 553288328 /nfs/dbraw/zinc/28/83/28/553288328.db2.gz MHWQQDZJEFFQAV-UHFFFAOYSA-N 0 1 515.621 6.164 50 0 KKAAMN COc1ccc(-c2[nH]c(-c3cccc(OC)c3)nc2SCC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000009674225 553294721 /nfs/dbraw/zinc/29/47/21/553294721.db2.gz GEGCJLPDGXBIRT-UHFFFAOYSA-N 0 1 503.580 5.263 50 0 KKAAMN COc1ccc(-c2nc(SCC(=O)Nc3ccc(OC)c(OC)c3)c(-c3ccc(OC)cc3)[nH]2)cc1 ZINC000009674192 553294747 /nfs/dbraw/zinc/29/47/47/553294747.db2.gz AHJIJNJTKBOSNO-UHFFFAOYSA-N 0 1 505.596 5.509 50 0 KKAAMN Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC[C@@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000009693928 553299270 /nfs/dbraw/zinc/29/92/70/553299270.db2.gz WLSPIKDJQRSWEH-OAQYLSRUSA-N 0 1 513.469 5.518 50 0 KKAAMN Cc1cccc(CN2C[C@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)N(C)Cc2cc3ccccc3s2)c1 ZINC000012053609 553350654 /nfs/dbraw/zinc/35/06/54/553350654.db2.gz PBIWPKFAAXKTDX-SQHAQQRYSA-N 0 1 526.731 6.480 50 0 KKAAMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC(n2c3ccc(C(F)(F)F)cc3nc2[C@@H]2CCCO2)CC1 ZINC000012244659 553354791 /nfs/dbraw/zinc/35/47/91/553354791.db2.gz KQJBQKDKXWQUJL-DEOSSOPVSA-N 0 1 509.532 5.774 50 0 KKAAMN O=C(/C=C/c1cccs1)N1CCC[C@H](COc2ccc(CN3CCN(c4ccccc4)CC3)cc2)C1 ZINC000012247611 553355211 /nfs/dbraw/zinc/35/52/11/553355211.db2.gz ZHRDDCPCFRGFLZ-BOMYWPOKSA-N 0 1 501.696 5.401 50 0 KKAAMN COc1cc(CN2CCC(C(=O)N(CCc3ccccc3)Cc3ccccc3)CC2)cc(OC)c1OC ZINC000012464648 553367498 /nfs/dbraw/zinc/36/74/98/553367498.db2.gz LJVGJKIWELBDTB-UHFFFAOYSA-N 0 1 502.655 5.196 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc(Cl)cc2)ccc1N1CCCCC1 ZINC000012564493 553396195 /nfs/dbraw/zinc/39/61/95/553396195.db2.gz ZDEUVFOGWRUVHT-UHFFFAOYSA-N 0 1 500.020 5.392 50 0 KKAAMN COc1ccc([C@@H](CNC(=O)c2ccccc2OCc2ccccc2Br)N2CCCC2)cc1 ZINC000013129697 553450778 /nfs/dbraw/zinc/45/07/78/553450778.db2.gz RMJSTGZLWQSKKI-RUZDIDTESA-N 0 1 509.444 5.604 50 0 KKAAMN COc1ccc([C@@H](CNC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)N2CCCCC2)cc1 ZINC000013134281 553452106 /nfs/dbraw/zinc/45/21/06/553452106.db2.gz YUTZVELKXCSQGA-AREMUKBSSA-N 0 1 513.465 6.538 50 0 KKAAMN COc1ccc([C@@H]2N(c3ccccc3)O[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@]32c2ccccc2)cc1 ZINC000013647588 553480181 /nfs/dbraw/zinc/48/01/81/553480181.db2.gz KUWUBVXHHKKTIG-WTNLLYQRSA-N 0 1 506.558 5.077 50 0 KKAAMN COc1ccc([C@@H]2N(c3ccccc3)OC3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@]32c2ccccc2)cc1 ZINC000013647588 553480183 /nfs/dbraw/zinc/48/01/83/553480183.db2.gz KUWUBVXHHKKTIG-WTNLLYQRSA-N 0 1 506.558 5.077 50 0 KKAAMN CCOc1cc2nc(-c3ccc(OC)c(OC)c3)nc(N3CCN(Cc4ccccc4)CC3)c2cc1OC ZINC000013689256 553485682 /nfs/dbraw/zinc/48/56/82/553485682.db2.gz HFOPANZAHWLDII-UHFFFAOYSA-N 0 1 514.626 5.044 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4cccc(OCC)c4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000013806521 553491805 /nfs/dbraw/zinc/49/18/05/553491805.db2.gz WZVOTJPLDFAAHD-NLDZOOGBSA-N 0 1 530.621 5.714 50 0 KKAAMN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(OCC)c4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000013806521 553491806 /nfs/dbraw/zinc/49/18/06/553491806.db2.gz WZVOTJPLDFAAHD-NLDZOOGBSA-N 0 1 530.621 5.714 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=S)Nc2ccc(Cl)cc2)ccc1N1CCCC1 ZINC000014360197 553513795 /nfs/dbraw/zinc/51/37/95/553513795.db2.gz FYUASBVQENXJIQ-UHFFFAOYSA-N 0 1 517.076 5.559 50 0 KKAAMN O=C1N(Cc2ccccc2)C(=O)C2(CCN(Cc3nc4ccccc4s3)CC2)N1CCc1ccccc1 ZINC000014746698 553520359 /nfs/dbraw/zinc/52/03/59/553520359.db2.gz YZONQAHENSIGOB-UHFFFAOYSA-N 0 1 510.663 5.338 50 0 KKAAMN CCOC(=O)N1CCN(c2nc3cc4c(cc3cc2CNCc2ccccc2C(F)(F)F)CCC4)CC1 ZINC000015069676 553527426 /nfs/dbraw/zinc/52/74/26/553527426.db2.gz UTKVHOVMHGISJK-UHFFFAOYSA-N 0 1 512.576 5.311 50 0 KKAAMN Cc1ccc(NC(=O)c2c(NC(=O)CNCc3ccccc3)sc3c2CC[C@@H](C(C)(C)C)C3)c(C)c1 ZINC000015946559 553544720 /nfs/dbraw/zinc/54/47/20/553544720.db2.gz KTRMCPBIXAXWMC-JOCHJYFZSA-N 0 1 503.712 6.497 50 0 KKAAMN COc1c(Br)cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)cc1Br ZINC000015947052 553545046 /nfs/dbraw/zinc/54/50/46/553545046.db2.gz ZJDYYQJUHVAQKM-KRWDZBQOSA-N 0 1 515.271 5.477 50 0 KKAAMN CC(C)N1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccc(Cl)cc4Cl)cc2)N3)C1 ZINC000015947048 553545093 /nfs/dbraw/zinc/54/50/93/553545093.db2.gz KGTJJLUNRVXIFE-QFIPXVFZSA-N 0 1 516.450 6.470 50 0 KKAAMN CC(C)N1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)ccc2OCc2ccccc2)N3)C1 ZINC000015947069 553545162 /nfs/dbraw/zinc/54/51/62/553545162.db2.gz YHILSUQXAUFKTF-HSZRJFAPSA-N 0 1 512.473 6.285 50 0 KKAAMN CCN1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)cc(Br)c2OC)N3)C1 ZINC000015947404 553545363 /nfs/dbraw/zinc/54/53/63/553545363.db2.gz DPANJZYYVHDYNS-MRXNPFEDSA-N 0 1 501.244 5.089 50 0 KKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(C)ccc4O)c3[C@H]2c2cccc(Cl)c2)cc1OC ZINC000016753617 553580887 /nfs/dbraw/zinc/58/08/87/553580887.db2.gz OGDPWCLHXJUNEW-HHHXNRCGSA-N 0 1 503.986 5.549 50 0 KKAAMN Cc1cc(O)c(-c2[nH]nc3c2[C@H](c2cccc(Oc4ccccc4)c2)N(Cc2cccnc2)C3=O)cc1Cl ZINC000017014925 553586562 /nfs/dbraw/zinc/58/65/62/553586562.db2.gz SAFWFWNEQATUHR-LJAQVGFWSA-N 0 1 522.992 6.677 50 0 KKAAMN COc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(Nc2nc(C)cc(Nc3ccc(C)cc3)n2)cc1 ZINC000017042854 553587157 /nfs/dbraw/zinc/58/71/57/553587157.db2.gz UOZIXMDVXWZUNM-UHFFFAOYSA-N 0 1 531.682 6.688 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1ccc(Cl)c(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 ZINC000017413770 553595387 /nfs/dbraw/zinc/59/53/87/553595387.db2.gz NZVJVAWTCRDXPL-UHFFFAOYSA-N 0 1 541.865 6.923 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2[C@H](C(=O)Nc3ccccc3)N3c4ccccc4C=C[C@H]3[C@]23c2ccccc2NC3=O)cc1OC ZINC000070672317 553602076 /nfs/dbraw/zinc/60/20/76/553602076.db2.gz YUDJOXKWGWQRIQ-KVOHOPFUSA-N 0 1 571.633 5.316 50 0 biogenic KKAAMN C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(C(c5ccc(F)cc5)c5ccc(F)cc5)CC4)[C@H]3C=C12 ZINC000070687182 553606424 /nfs/dbraw/zinc/60/64/24/553606424.db2.gz LQRYJSOKRCGDGI-TZMFWNFDSA-N 0 1 520.664 5.986 50 0 biogenic KKAAMN COc1ccc(C(O)=C2[C@@H](C(=O)c3cccc(OC)c3)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000070687869 553607573 /nfs/dbraw/zinc/60/75/73/553607573.db2.gz KNZGIGYEWUSNDD-JMNGKNCGSA-N 0 1 584.672 6.258 50 0 biogenic KKAAMN Cc1cc(C)c(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2O)c(Cc2ccc(-c3ccccc3)cc2)c1 ZINC000018194787 553608380 /nfs/dbraw/zinc/60/83/80/553608380.db2.gz SDXUYTUKKJNNRC-UHFFFAOYSA-N 0 1 511.470 7.548 50 0 KKAAMN FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000019894407 553632114 /nfs/dbraw/zinc/63/21/14/553632114.db2.gz KGPYFYFXKTVCLU-UHFFFAOYSA-N 0 1 508.975 6.727 50 0 KKAAMN Nc1nc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)nc(Nc2cccc(C(F)(F)F)c2)n1 ZINC000019944530 553646119 /nfs/dbraw/zinc/64/61/19/553646119.db2.gz IWPJMBAUUVXIBQ-UHFFFAOYSA-N 0 1 519.575 5.123 50 0 KKAAMN O=C(NCCCN1CCN(CCCNC(=O)c2cc(-c3ccccc3)nc3ccccc32)CC1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000082171168 553674242 /nfs/dbraw/zinc/67/42/42/553674242.db2.gz RGSYGZZGUHHNSQ-UHFFFAOYSA-N 0 1 662.838 6.675 50 0 KKAAMN C[C@@H](NC(=O)CCCCCn1c(=O)c2cc(Br)ccc2[nH]c1=S)C12CC3CC(CC(C3)C1)C2 ZINC000020644216 553684096 /nfs/dbraw/zinc/68/40/96/553684096.db2.gz HHHSQWUJDKZNDS-KRGUIMPISA-N 0 1 532.548 6.103 50 0 KKAAMN CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Oc4ccc5c(c4)CC(=O)N5)c3)cc2C(F)(F)F)CC1 ZINC000096174842 553727190 /nfs/dbraw/zinc/72/71/90/553727190.db2.gz AOZPVMOOEJAZGK-UHFFFAOYSA-N 0 1 552.597 5.691 50 0 in-vitro KKAAMN Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H](N5CCN([C@H]6CCc7ccccc7C6)CC5)C4=O)cc3)sc2c1 ZINC000022790031 553750219 /nfs/dbraw/zinc/75/02/19/553750219.db2.gz DCQOJPJDONNMCF-XTEPFMGCSA-N 0 1 536.701 5.079 50 0 KKAAMN O=C(NCCCN1CCN(CCCNC(=O)C2c3ccccc3Oc3ccccc32)CC1)C1c2ccccc2Oc2ccccc21 ZINC000022790423 553750238 /nfs/dbraw/zinc/75/02/38/553750238.db2.gz BUFRHUSJFSFFHH-UHFFFAOYSA-N 0 1 616.762 5.492 50 0 KKAAMN COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)c1 ZINC000097948210 553792091 /nfs/dbraw/zinc/79/20/91/553792091.db2.gz CJXWGMSFJJDUAM-UHFFFAOYSA-N 0 1 557.503 5.229 50 0 KKAAMN CCc1ccc(-c2n[nH]c(S[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c3ccccc3)n2)cc1 ZINC000024769810 553792157 /nfs/dbraw/zinc/79/21/57/553792157.db2.gz IEJHJLMXGRLUAJ-OAQYLSRUSA-N 0 1 516.976 7.178 50 0 KKAAMN C[C@@H](NC(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1)c1ccc(Br)cc1 ZINC000025144955 553794770 /nfs/dbraw/zinc/79/47/70/553794770.db2.gz PZHNNNCDNZALRY-CQSZACIVSA-N 0 1 515.238 7.304 50 0 KKAAMN O=C(NCCCN1CCN(CCCNC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)CC1)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000097949291 553801092 /nfs/dbraw/zinc/80/10/92/553801092.db2.gz JIPZNFNBVQYKMV-UHFFFAOYSA-N 0 1 743.786 8.104 50 0 KKAAMN O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1ccc(-c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)cc1 ZINC000025162160 553803110 /nfs/dbraw/zinc/80/31/10/553803110.db2.gz KQTAIAFOSGNQPD-MHZLTWQESA-N 0 1 511.547 7.476 50 0 KKAAMN Oc1c2c(c(O)n1-c1ccc(Cl)c(Cl)c1)[C@H](c1cc3ccccc3nc1Cl)N(c1ccccc1)O2 ZINC000097953099 553819123 /nfs/dbraw/zinc/81/91/23/553819123.db2.gz BVKLXVDDFCVWMA-XPWALMASSA-N 0 1 524.791 6.246 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5cccs5)nc4c32)cc1OC ZINC000097954389 553822917 /nfs/dbraw/zinc/82/29/17/553822917.db2.gz CEMVCRAVAXMJLE-QHCPKHFHSA-N 0 1 522.590 5.650 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccccc5O)nc4c32)cc1OC ZINC000097954518 553823837 /nfs/dbraw/zinc/82/38/37/553823837.db2.gz SOGRTMIEXWGQDN-VWLOTQADSA-N 0 1 532.560 5.294 50 0 KKAAMN COc1ccccc1C1c2c(C)nn(-c3ccc(Cl)cc3)c2Oc2ncn3nc(-c4ccccc4O)nc3c21 ZINC000097956582 553839913 /nfs/dbraw/zinc/83/99/13/553839913.db2.gz VOBPKTPRYRYRMC-DEOSSOPVSA-N 0 1 536.979 5.939 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccc(Cl)cc4)c3Oc3ncn4nc(-c5cccnc5)nc4c32)cc1 ZINC000097956644 553840444 /nfs/dbraw/zinc/84/04/44/553840444.db2.gz XNMHMEXFRUJETH-QHCPKHFHSA-N 0 1 521.968 5.628 50 0 KKAAMN COc1ccc(-c2cc(C(=O)NCCCN3CCN(CCCNC(=O)c4cc(-c5ccc(OC)c(OC)c5)nc5ccccc54)CC3)c3ccccc3n2)cc1OC ZINC000097959299 553862678 /nfs/dbraw/zinc/86/26/78/553862678.db2.gz YWGREYPTHCZDPT-UHFFFAOYSA-N 0 1 782.942 6.709 50 0 KKAAMN CC(C)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963431 553889994 /nfs/dbraw/zinc/88/99/94/553889994.db2.gz INBUEUSYEPYDCJ-FQEVSTJZSA-N 0 1 594.828 6.464 50 0 KKAAMN O=C(Nc1ccc(C(=O)c2ccc(Cl)cc2)c(Cl)c1)c1cc(Br)ccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000033353947 553927940 /nfs/dbraw/zinc/92/79/40/553927940.db2.gz SCERMNQKGVVMCO-UHFFFAOYSA-N 0 1 638.754 7.693 50 0 KKAAMN O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000033355697 553936375 /nfs/dbraw/zinc/93/63/75/553936375.db2.gz COUHLFJHQDMRMA-LOYHVIPDSA-N 0 1 560.739 5.439 50 0 KKAAMN CCn1c2ccccc2c2ccc(NC(=O)CCC(=O)Nc3ccc4nc(N5CCN(C)CC5)cc(C)c4c3)cc21 ZINC000033356851 553945116 /nfs/dbraw/zinc/94/51/16/553945116.db2.gz RBJDKWUWIGFTQQ-UHFFFAOYSA-N 0 1 548.691 5.780 50 0 KKAAMN O=C1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@@H](c2cccc(F)c2)N1c1ccc(Br)cc1 ZINC000033358479 553956148 /nfs/dbraw/zinc/95/61/48/553956148.db2.gz BABSFDQTNWYKKH-UXHICEINSA-N 0 1 603.058 6.955 50 0 KKAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2cccc(Br)c2)cc1C ZINC000033358506 553956286 /nfs/dbraw/zinc/95/62/86/553956286.db2.gz XKWOSNLTBCBMJV-FCHUYYIVSA-N 0 1 613.122 7.432 50 0 KKAAMN O=[S@](c1ccc(Br)cc1)C1=CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000097973093 553968248 /nfs/dbraw/zinc/96/82/48/553968248.db2.gz VZJRWPXCSPXDLK-XIFFEERXSA-N 0 1 530.478 7.037 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000033717221 553970094 /nfs/dbraw/zinc/97/00/94/553970094.db2.gz DVTBURAJNPLUJK-CPWWYQHDSA-N 0 1 520.629 5.674 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000033717222 553970171 /nfs/dbraw/zinc/97/01/71/553970171.db2.gz DVTBURAJNPLUJK-ZQOCDUSVSA-N 0 1 520.629 5.674 50 0 KKAAMN COc1ccc(C(=O)N(c2ccc(F)cc2)C2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1 ZINC000034682594 553985512 /nfs/dbraw/zinc/98/55/12/553985512.db2.gz BEGSWOYBUIIEDG-UHFFFAOYSA-N 0 1 510.609 6.938 50 0 KKAAMN COc1ccc(CN2CCC(N(C(=O)c3ccc(F)cc3)c3ccc(OC)c(OC)c3)CC2)c(OC)c1 ZINC000034682838 553985625 /nfs/dbraw/zinc/98/56/25/553985625.db2.gz KRFANBMDQCFILY-UHFFFAOYSA-N 0 1 508.590 5.172 50 0 KKAAMN CC(C)c1ccc(CN2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000034683676 553985956 /nfs/dbraw/zinc/98/59/56/553985956.db2.gz YOKATFIASOLYAL-UHFFFAOYSA-N 0 1 501.067 6.462 50 0 KKAAMN CCCCC[C@@H](C)N/C=C1\c2ccccc2C(=O)N(c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)C1=O ZINC000097980521 553989219 /nfs/dbraw/zinc/98/92/19/553989219.db2.gz ABWODJCACQJXQN-NBHLSZMOSA-N 0 1 547.677 5.582 50 0 KKAAMN CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3ccc(C)c(S(=O)(=O)Nc4ccccc4OC)c3)C2=O)cc1 ZINC000097980511 553989279 /nfs/dbraw/zinc/98/92/79/553989279.db2.gz DVALMWIGKGWURV-OOAXWGSJSA-N 0 1 611.676 5.621 50 0 KKAAMN CCOC(=O)c1c(C)c(C)sc1NC=C1c2ccccc2C(=O)N(c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)C1=O ZINC000097980549 553989633 /nfs/dbraw/zinc/98/96/33/553989633.db2.gz LJRZEHCHUOYHFN-XIEYBQDHSA-N 0 1 631.732 5.991 50 0 KKAAMN COc1cccc(/C=C/C(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccc(Br)cc3)c2)c1 ZINC000097980612 553990007 /nfs/dbraw/zinc/99/00/07/553990007.db2.gz MQPGSQCMHHABQR-LFYBBSHMSA-N 0 1 521.820 5.564 50 0 KKAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=S)Nc3ccc(OC(F)F)cc3)ccc2OC)cc1Br ZINC000097981373 553993567 /nfs/dbraw/zinc/99/35/67/553993567.db2.gz PYBWAVDJTCVHRU-UHFFFAOYSA-N 0 1 588.452 5.677 50 0 KKAAMN COc1ccc(-c2nn(-c3ccc(C(F)(F)F)cc3)c(N)c2NC(=O)N2CCN(C3CCCC3)CC2)cc1 ZINC000034786045 554004419 /nfs/dbraw/zinc/00/44/19/554004419.db2.gz SPGLHKKJXGYBMW-UHFFFAOYSA-N 0 1 528.579 5.241 50 0 KKAAMN Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2C)c1 ZINC000097982896 554006066 /nfs/dbraw/zinc/00/60/66/554006066.db2.gz WPUYSIDLMFYXTM-UHFFFAOYSA-N 0 1 584.119 6.119 50 0 KKAAMN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000097982930 554006703 /nfs/dbraw/zinc/00/67/03/554006703.db2.gz CLAROXZOTHARIC-UHFFFAOYSA-N 0 1 571.543 6.768 50 0 KKAAMN O=C(c1ccc(Cl)cc1Cl)C1[C@]2(C(=O)Nc3ccccc32)[C@H]2CCCN2[C@@]12C(=O)Nc1ccccc12 ZINC000034795867 554008893 /nfs/dbraw/zinc/00/88/93/554008893.db2.gz LKLZRYIWPSGWBV-SAYRZEODSA-N 0 1 518.400 5.008 50 0 biogenic KKAAMN CCCCOc1ccc(C(=O)N(CCC)Cc2c(C)nn(-c3ccccc3)c2N2CCN(CC)CC2)cc1 ZINC000034814870 554011901 /nfs/dbraw/zinc/01/19/01/554011901.db2.gz WWNHNOFSTTYHLZ-UHFFFAOYSA-N 0 1 517.718 5.554 50 0 KKAAMN CCCCc1ccc(C(=O)N(Cc2c(C)nn(-c3ccccc3)c2N2CCN(CC)CC2)CC(C)C)cc1 ZINC000034829539 554012248 /nfs/dbraw/zinc/01/22/48/554012248.db2.gz PGMODUPARGMBBA-UHFFFAOYSA-N 0 1 515.746 5.964 50 0 KKAAMN CCc1ccc(C(=O)N2CCCN(C(=O)[C@@H](C)N3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000034830430 554015763 /nfs/dbraw/zinc/01/57/63/554015763.db2.gz TWMAHXODAVPQFG-BTYSJIOQSA-N 0 1 515.723 5.330 50 0 KKAAMN CC[C@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)Nc1ccc(Cl)cc1 ZINC000034832168 554017959 /nfs/dbraw/zinc/01/79/59/554017959.db2.gz PSYRMSNSTGOWBN-FQEVSTJZSA-N 0 1 527.088 5.948 50 0 KKAAMN CC[C@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)Nc1cccc(C)c1 ZINC000034832194 554017977 /nfs/dbraw/zinc/01/79/77/554017977.db2.gz RZBFNMOXNKCMCJ-QFIPXVFZSA-N 0 1 506.670 5.603 50 0 KKAAMN CC[C@@H](C)N(Cc1c(C)nn(-c2cccc(F)c2)c1N1CCN(CC)CC1)C(=O)Nc1ccc(C)cc1 ZINC000034832196 554018003 /nfs/dbraw/zinc/01/80/03/554018003.db2.gz MNLGMWWRHQKHFP-JOCHJYFZSA-N 0 1 506.670 5.603 50 0 KKAAMN Cc1nn(-c2ccccc2)c(N2CCN(C)CC2)c1CN(CCC(C)C)C(=O)CSc1ccccc1 ZINC000034834682 554018908 /nfs/dbraw/zinc/01/89/08/554018908.db2.gz IGUAPGVNZKCQGP-UHFFFAOYSA-N 0 1 505.732 5.100 50 0 KKAAMN CC[C@@H](C)N(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000034834999 554019312 /nfs/dbraw/zinc/01/93/12/554019312.db2.gz QYGLCGAGTYMGDE-XMMPIXPASA-N 0 1 515.746 6.061 50 0 KKAAMN Nn1c(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)nnc1-c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000097990113 554028217 /nfs/dbraw/zinc/02/82/17/554028217.db2.gz DMOUOJOMJMCEEY-UHFFFAOYSA-N 0 1 532.029 5.012 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccc(Cl)cc5)nc4c32)cc1OC ZINC000098000060 554048382 /nfs/dbraw/zinc/04/83/82/554048382.db2.gz QBNDDWVNAKEHJZ-VWLOTQADSA-N 0 1 551.006 6.242 50 0 KKAAMN Cc1ccsc1CN(Cc1ccc(F)cc1)C(=O)CN(CCN1CCCC1)C(=O)c1cccc(Cl)c1 ZINC000035774036 554073567 /nfs/dbraw/zinc/07/35/67/554073567.db2.gz GIAXUNCCFUPFTE-UHFFFAOYSA-N 0 1 528.093 5.616 50 0 KKAAMN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CCN2CCCC2)C(=O)c2ccccc2F)s1 ZINC000035808161 554076747 /nfs/dbraw/zinc/07/67/47/554076747.db2.gz MHUIJCXLUFHSNG-UHFFFAOYSA-N 0 1 511.638 5.102 50 0 KKAAMN CC(C)OC[C@H](O)CN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C(C)C ZINC000035842640 554081140 /nfs/dbraw/zinc/08/11/40/554081140.db2.gz BPNXIFHZGWCPJN-MUUNZHRXSA-N 0 1 521.746 5.533 50 0 KKAAMN CCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COC(C)C ZINC000035842619 554081221 /nfs/dbraw/zinc/08/12/21/554081221.db2.gz WUYSFEDQZKUSDD-GDLZYMKVSA-N 0 1 535.773 5.925 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000035843177 554081596 /nfs/dbraw/zinc/08/15/96/554081596.db2.gz DSKVOGRWCPWEBW-LSBIRFPWSA-N 0 1 520.629 5.674 50 0 KKAAMN CC(=O)[C@@H]1C(=C(O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3c4ccccc4ccc3N21 ZINC000035843200 554081680 /nfs/dbraw/zinc/08/16/80/554081680.db2.gz JNONEFZBHJQXSE-NGAUBYBASA-N 0 1 519.000 6.055 50 0 KKAAMN Nc1c2c(nn1-c1ccccc1Cl)nc(N1CCN(Cc3ccccc3)CC1)nc2-c1ccc(F)cc1 ZINC000035929954 554101672 /nfs/dbraw/zinc/10/16/72/554101672.db2.gz UAFDNQMNNUQTNA-UHFFFAOYSA-N 0 1 514.008 5.179 50 0 KKAAMN Cc1nn(-c2cccc(F)c2)c(N2CCN(C)CC2)c1CN(CCC(C)C)C(=O)CSc1ccccc1 ZINC000035954231 554107910 /nfs/dbraw/zinc/10/79/10/554107910.db2.gz HBQSSLKCUAUSDG-UHFFFAOYSA-N 0 1 523.722 5.239 50 0 KKAAMN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CCN2CCCCC2)C(=O)c2ccc(Cl)cc2)cc1OC ZINC000098019717 554114195 /nfs/dbraw/zinc/11/41/95/554114195.db2.gz PVQUOMAJGBJYIP-UHFFFAOYSA-N 0 1 582.141 5.458 50 0 KKAAMN COc1ccc(/C=C2\CN(C)CC3=C2N=C2SC=C(c4ccc(F)cc4)N2[C@H]3c2ccc(OC)cc2)cc1 ZINC000036007039 554131932 /nfs/dbraw/zinc/13/19/32/554131932.db2.gz OQFWWIRRRIUULW-TYZGFQJPSA-N 0 1 525.649 6.584 50 0 KKAAMN CCN1CCN(c2cc(C(C)C)nc(SCc3ccc(C(=O)N(C)Cc4ccccc4)cc3)n2)CC1 ZINC000036049760 554156362 /nfs/dbraw/zinc/15/63/62/554156362.db2.gz ACPJJZXKCBRVJT-UHFFFAOYSA-N 0 1 503.716 5.306 50 0 KKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(C)ccc4O)c3[C@H]2c2cccc(Br)c2)cc1OC ZINC000098047870 554157024 /nfs/dbraw/zinc/15/70/24/554157024.db2.gz NCKDRLLCSCLLRD-HHHXNRCGSA-N 0 1 548.437 5.658 50 0 KKAAMN CCOc1cccc([C@@H]2C(S(=O)(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(Br)cc2)c1 ZINC000098047865 554157108 /nfs/dbraw/zinc/15/71/08/554157108.db2.gz WNFUXJYNUCTSII-JOCHJYFZSA-N 0 1 528.424 5.488 50 0 KKAAMN CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC[C@H](O)CN3CCN(c4ccc(C)cc4)CC3)cc21 ZINC000098048147 554159952 /nfs/dbraw/zinc/15/99/52/554159952.db2.gz ZFNNOETYDZOEEA-MUUNZHRXSA-N 0 1 541.692 5.045 50 0 KKAAMN CCCCOc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(OC)c(Cl)c2)cc1 ZINC000098049887 554169803 /nfs/dbraw/zinc/16/98/03/554169803.db2.gz HHENJCLBKRTFDY-JWQCQUIFSA-N 0 1 642.750 7.894 50 0 KKAAMN CCCCOc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(OC)c(Cl)c2)cc1 ZINC000098049885 554169807 /nfs/dbraw/zinc/16/98/07/554169807.db2.gz HHENJCLBKRTFDY-RPBOFIJWSA-N 0 1 642.750 7.894 50 0 KKAAMN COc1ccc(OC)c([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(Cl)c2)c1 ZINC000098049920 554170148 /nfs/dbraw/zinc/17/01/48/554170148.db2.gz SBYXZCIDVINVDT-XZOQPEGZSA-N 0 1 614.696 7.032 50 0 KKAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2cccs2)cc1F ZINC000098049916 554170185 /nfs/dbraw/zinc/17/01/85/554170185.db2.gz DWPGKWUSPZGYOE-RBUKOAKNSA-N 0 1 544.218 6.562 50 0 KKAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2cccs2)cc1F ZINC000098049914 554170249 /nfs/dbraw/zinc/17/02/49/554170249.db2.gz DWPGKWUSPZGYOE-OALUTQOASA-N 0 1 544.218 6.562 50 0 KKAAMN CCOc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000098049939 554170329 /nfs/dbraw/zinc/17/03/29/554170329.db2.gz HATLHKXVGYEPPY-FGZHOGPDSA-N 0 1 629.121 7.214 50 0 KKAAMN CCOc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cc(Cl)cc(Cl)c2)cc1 ZINC000098049945 554170433 /nfs/dbraw/zinc/17/04/33/554170433.db2.gz HTEDPRISVQKJTI-YADHBBJMSA-N 0 1 619.115 7.758 50 0 KKAAMN COc1ccc(OC)c([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(OC)c(Cl)c2)c1 ZINC000098049959 554170779 /nfs/dbraw/zinc/17/07/79/554170779.db2.gz UGYJXNVHMFTJMI-DHIUTWEWSA-N 0 1 630.695 6.732 50 0 KKAAMN COc1ccc(OC)c([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(OC)c(Cl)c2)c1 ZINC000098049960 554170783 /nfs/dbraw/zinc/17/07/83/554170783.db2.gz UGYJXNVHMFTJMI-XZOQPEGZSA-N 0 1 630.695 6.732 50 0 KKAAMN COc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(C)c2)cc1Br ZINC000098049963 554170790 /nfs/dbraw/zinc/17/07/90/554170790.db2.gz TURSNAHHBDFBJS-DHIUTWEWSA-N 0 1 643.148 7.441 50 0 KKAAMN CCOc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Cl)cc2C)cc1 ZINC000098049976 554170820 /nfs/dbraw/zinc/17/08/20/554170820.db2.gz HKNYLBLJSGVHBS-XZOQPEGZSA-N 0 1 598.697 7.413 50 0 KKAAMN COc1ccc(OC)c([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(F)c2)c1 ZINC000098050012 554170999 /nfs/dbraw/zinc/17/09/99/554170999.db2.gz ZWAPFFVMJYOOEU-GOTSBHOMSA-N 0 1 598.241 6.518 50 0 KKAAMN CCOc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cc(F)ccc2C)cc1 ZINC000098050041 554171339 /nfs/dbraw/zinc/17/13/39/554171339.db2.gz GRBSZLSBZQEAHK-DHIUTWEWSA-N 0 1 582.242 6.899 50 0 KKAAMN CCOc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 ZINC000098050037 554171362 /nfs/dbraw/zinc/17/13/62/554171362.db2.gz XFSVCIMAPIYNOF-DHIUTWEWSA-N 0 1 598.697 7.413 50 0 KKAAMN CCCCOc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 ZINC000098050081 554171610 /nfs/dbraw/zinc/17/16/10/554171610.db2.gz WEZDLSMAFJPYQK-JWQCQUIFSA-N 0 1 626.751 8.194 50 0 KKAAMN CCCCOc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1 ZINC000098050080 554171701 /nfs/dbraw/zinc/17/17/01/554171701.db2.gz WEZDLSMAFJPYQK-DQEYMECFSA-N 0 1 626.751 8.194 50 0 KKAAMN CCOc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(F)cc2)cc1 ZINC000098050136 554172402 /nfs/dbraw/zinc/17/24/02/554172402.db2.gz VAADGJPKVYCKQZ-YADHBBJMSA-N 0 1 568.215 6.591 50 0 KKAAMN Cc1cccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2cccs2)c1 ZINC000098050146 554172614 /nfs/dbraw/zinc/17/26/14/554172614.db2.gz SPZWIOQPIDECSC-RTBURBONSA-N 0 1 526.228 6.423 50 0 KKAAMN COCCN(Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1ccc(C)cc1 ZINC000036145492 554197694 /nfs/dbraw/zinc/19/76/94/554197694.db2.gz PEKUHDRXMSRTHO-UHFFFAOYSA-N 0 1 501.623 5.538 50 0 KKAAMN COc1ccc(C(O)(c2ccc(CN(Cc3ccccc3C)C[C@@H]3CCCO3)o2)c2ccc(OC)cc2)cc1 ZINC000036203193 554201290 /nfs/dbraw/zinc/20/12/90/554201290.db2.gz INJLQJGIFXVUKB-PMERELPUSA-N 0 1 527.661 6.071 50 0 KKAAMN COc1ccccc1Oc1c(CN(C[C@@H](O)COCc2ccccc2)CC2CC2)c(C)nn1-c1ccccc1 ZINC000036302272 554212223 /nfs/dbraw/zinc/21/22/23/554212223.db2.gz LOYLZFDKLVZFJM-MUUNZHRXSA-N 0 1 527.665 5.771 50 0 KKAAMN CCc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1CN(C[C@@H](O)COCc1ccccc1)C(C)C ZINC000036303434 554213246 /nfs/dbraw/zinc/21/32/46/554213246.db2.gz HKQGNEHQNXNDKF-HHHXNRCGSA-N 0 1 517.645 6.154 50 0 KKAAMN Cn1nc(-c2ccccc2)c(CN(C[C@H](O)COC(C)(C)C)C[C@@H]2CCCO2)c1Oc1cccc(F)c1 ZINC000036307249 554215944 /nfs/dbraw/zinc/21/59/44/554215944.db2.gz FJVGAVQSDAUGSC-ZCYQVOJMSA-N 0 1 511.638 5.176 50 0 KKAAMN CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@@H](O)COCc1ccccc1 ZINC000036308866 554216531 /nfs/dbraw/zinc/21/65/31/554216531.db2.gz JUYMECFYFTYQJZ-UHSQPCAPSA-N 0 1 536.738 5.276 50 0 KKAAMN CCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@H](O)COCc1ccccc1 ZINC000036309401 554217124 /nfs/dbraw/zinc/21/71/24/554217124.db2.gz XTIWKHOZTQKLTP-XCZPVHLTSA-N 0 1 536.738 5.159 50 0 KKAAMN Cc1ccc(Oc2c(CN(C[C@H](O)COC(C)(C)C)C[C@@H]3CCCO3)c(-c3ccccc3)nn2C)cc1 ZINC000036316072 554219594 /nfs/dbraw/zinc/21/95/94/554219594.db2.gz USSMCBOWIAXEKC-AHWVRZQESA-N 0 1 507.675 5.345 50 0 KKAAMN COc1ccc([C@H]2CC(c3cccc(F)c3)=NN2C(=O)CN2CCC(Cc3ccccc3)CC2)c(OC)c1 ZINC000036344499 554223351 /nfs/dbraw/zinc/22/33/51/554223351.db2.gz LSWNULRDNMJVOH-GDLZYMKVSA-N 0 1 515.629 5.475 50 0 KKAAMN COc1ccc([C@@H]2CC(c3ccccc3OC)=NN2C(=O)CN2CCC(Cc3ccccc3)CC2)c(OC)c1 ZINC000036344484 554223435 /nfs/dbraw/zinc/22/34/35/554223435.db2.gz NMLIVVFSGBPTLA-LJAQVGFWSA-N 0 1 527.665 5.345 50 0 KKAAMN O=C1C[C@H](N2CCN(C(c3ccccc3)c3ccccc3)CC2)C(=O)N1c1ccccc1Sc1ccccc1 ZINC000100120830 554224138 /nfs/dbraw/zinc/22/41/38/554224138.db2.gz WRJVFYCWAFKQGZ-LJAQVGFWSA-N 0 1 533.697 5.877 50 0 KKAAMN Cc1ccc([C@@H]2c3c(O)n(-c4cccc(C(F)(F)F)c4)c(O)c3ON2c2cccc(Br)c2)cc1 ZINC000100208448 554248685 /nfs/dbraw/zinc/24/86/85/554248685.db2.gz UBUGFDQTDHKARO-VSKRKVRLSA-N 0 1 531.328 5.827 50 0 KKAAMN CC(C)(C)C(=O)N1CCc2ccc(OCc3ccc(C(=O)NCCN4CCCC4)o3)cc2[C@@H]1c1ccccc1 ZINC000037605258 554256799 /nfs/dbraw/zinc/25/67/99/554256799.db2.gz PIAFIGDRBAWFBQ-LJAQVGFWSA-N 0 1 529.681 5.204 50 0 KKAAMN COC(=O)c1ccc(Sc2ccc(OCCCN3CCN(Cc4ccc(Cl)cc4)CC3)cc2)cc1 ZINC000045068823 554311243 /nfs/dbraw/zinc/31/12/43/554311243.db2.gz LBNIQBNIEYWCJQ-UHFFFAOYSA-N 0 1 511.087 5.865 50 0 KKAAMN CCCCOc1ccc(-c2cc(C(=O)Nc3nnc(SCc4cccc5ccccc54)s3)no2)cc1 ZINC000046086964 554320622 /nfs/dbraw/zinc/32/06/22/554320622.db2.gz FQXUOMSRZWPBRL-UHFFFAOYSA-N 0 1 516.648 7.070 50 0 KKAAMN COc1cccc(OCCN2CCN(c3cc(C(C)(C)C)nc4c(-c5ccc(Cl)cc5)c(C)nn43)CC2)c1 ZINC000054274636 554349159 /nfs/dbraw/zinc/34/91/59/554349159.db2.gz GKXCUHLZOUHGLH-UHFFFAOYSA-N 0 1 534.104 5.865 50 0 KKAAMN O=C(/C=C/c1cccs1)N1CCC(Oc2ccc(CN3CCN(c4cccc(Cl)c4)CC3)cc2)CC1 ZINC000055035898 554349859 /nfs/dbraw/zinc/34/98/59/554349859.db2.gz YUJPUMZPNPRWND-ZHACJKMWSA-N 0 1 522.114 5.807 50 0 KKAAMN COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cc3ccccc3cc2OC)c1 ZINC000057222732 554352661 /nfs/dbraw/zinc/35/26/61/554352661.db2.gz FGZTYYNDJVABEF-UHFFFAOYSA-N 0 1 509.606 5.210 50 0 KKAAMN COc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=S)Nc2ccccc2)cc1OC ZINC000100425057 554386379 /nfs/dbraw/zinc/38/63/79/554386379.db2.gz CSZPMHZQCDUIEW-MUUNZHRXSA-N 0 1 513.663 7.367 50 0 KKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)Nc2ccc(Cl)c(Cl)c2)[C@H]3c2cccc(F)c2)cc1 ZINC000100425495 554386574 /nfs/dbraw/zinc/38/65/74/554386574.db2.gz DAAIJSAZSFLUSN-KTBRYMIGSA-N 0 1 602.493 9.397 50 0 KKAAMN Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@H]3c2cccc(Br)c2)cc1 ZINC000100425408 554386675 /nfs/dbraw/zinc/38/66/75/554386675.db2.gz HPWLRYGUPGCLTB-GOXGLGGOSA-N 0 1 563.495 8.621 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C)cc3)CC(=O)C2[C@H]1c1ccccc1Cl ZINC000100426022 554387369 /nfs/dbraw/zinc/38/73/69/554387369.db2.gz ZWGCQRIPKHTBDR-JPQMRUPTSA-N 0 1 513.081 8.779 50 0 KKAAMN O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc(F)cc1)N(C(=S)Nc1ccccc1)c1ccccc1N2 ZINC000100425768 554387399 /nfs/dbraw/zinc/38/73/99/554387399.db2.gz XQMUTDGWPPUJTN-SLGOVJDISA-N 0 1 519.645 8.246 50 0 KKAAMN COc1ccc([C@@H]2C3=C(C[C@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1OC ZINC000100426143 554387652 /nfs/dbraw/zinc/38/76/52/554387652.db2.gz OILGGTNPLKLYOC-CAQRMWTPSA-N 0 1 550.699 7.961 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(C(C)=O)cc1 ZINC000100426413 554388018 /nfs/dbraw/zinc/38/80/18/554388018.db2.gz NIIKRXHJDUPPDL-CYFIQEHSSA-N 0 1 566.698 8.037 50 0 KKAAMN COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC ZINC000100426371 554388131 /nfs/dbraw/zinc/38/81/31/554388131.db2.gz LOKCZLDSOMTHHW-MQFAKOPTSA-N 0 1 614.695 6.698 50 0 KKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000100426455 554388328 /nfs/dbraw/zinc/38/83/28/554388328.db2.gz YHFFVCZMKGNOBK-COOREUGTSA-N 0 1 620.702 7.594 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000100426439 554388396 /nfs/dbraw/zinc/38/83/96/554388396.db2.gz FEAVEDJQLGUJBU-LUWBXXKHSA-N 0 1 614.739 7.860 50 0 KKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000100426451 554388458 /nfs/dbraw/zinc/38/84/58/554388458.db2.gz YHFFVCZMKGNOBK-AOXBRHMESA-N 0 1 620.702 7.594 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cccc(Cl)c1 ZINC000100426803 554389152 /nfs/dbraw/zinc/38/91/52/554389152.db2.gz HCWJSYWRRKJOIO-UGDMGKLASA-N 0 1 533.499 9.124 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000100429467 554390597 /nfs/dbraw/zinc/39/05/97/554390597.db2.gz DUJRNMOANRJRBT-PBUKZNKTSA-N 0 1 554.687 7.843 50 0 KKAAMN O=S(=O)(Nc1cccc(-c2ccc(C(F)(F)F)cn2)c1)c1cccn1-c1ncc(C(F)(F)F)cc1Cl ZINC000059530777 554406687 /nfs/dbraw/zinc/40/66/87/554406687.db2.gz ROKJAIOFEJCUTH-UHFFFAOYSA-N 0 1 546.880 6.426 50 0 KKAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2ccc(F)cc2)cc1 ZINC000100574981 554422696 /nfs/dbraw/zinc/42/26/96/554422696.db2.gz RNAHJLXPXFUPAG-RTWAWAEBSA-N 0 1 538.189 6.500 50 0 KKAAMN Cc1cc(Cl)ccc1N1C(=O)C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@H]1c1ccc2c(c1)OCO2 ZINC000100581960 554425041 /nfs/dbraw/zinc/42/50/41/554425041.db2.gz JFQYPYCRMBSDBV-YADHBBJMSA-N 0 1 598.653 6.743 50 0 KKAAMN Cc1ccc(F)cc1N1C(=O)C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@@H]1c1ccc(F)cc1 ZINC000100584543 554426091 /nfs/dbraw/zinc/42/60/91/554426091.db2.gz XOWYJFOFMTXQAA-SFTDATJTSA-N 0 1 556.179 6.640 50 0 KKAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2cccc(F)c2)cc1F ZINC000100584661 554426395 /nfs/dbraw/zinc/42/63/95/554426395.db2.gz VVRBSCYZYZZRMH-RTWAWAEBSA-N 0 1 556.179 6.640 50 0 KKAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2cccc(F)c2)cc1F ZINC000100584670 554426408 /nfs/dbraw/zinc/42/64/08/554426408.db2.gz VVRBSCYZYZZRMH-LEWJYISDSA-N 0 1 556.179 6.640 50 0 KKAAMN COc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(F)c2)cc1OC ZINC000100585999 554426646 /nfs/dbraw/zinc/42/66/46/554426646.db2.gz AXHRWUZOZXMFDG-XZOQPEGZSA-N 0 1 598.241 6.518 50 0 KKAAMN COc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(C)c2)cc1OC ZINC000100585899 554426720 /nfs/dbraw/zinc/42/67/20/554426720.db2.gz PHALNRGQERBOSS-RPWUZVMVSA-N 0 1 594.278 6.687 50 0 KKAAMN COc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(C)c2)cc1OC ZINC000100585902 554426776 /nfs/dbraw/zinc/42/67/76/554426776.db2.gz PHALNRGQERBOSS-ZEQRLZLVSA-N 0 1 594.278 6.687 50 0 KKAAMN COc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(Br)cc2)N(CCc2ccc(OC)c(OC)c2)C3=O)cc1 ZINC000059796261 554430442 /nfs/dbraw/zinc/43/04/42/554430442.db2.gz PPCFSYZUWPYTSV-HHHXNRCGSA-N 0 1 548.437 5.653 50 0 KKAAMN COc1cc(OC)c(-c2nc(-c3ccc4c(c3)S(=O)(=O)c3ccccc3-4)c(-c3ccccc3)[nH]2)cc1OC ZINC000100804819 554474867 /nfs/dbraw/zinc/47/48/67/554474867.db2.gz BBWKJRWBVIDFOK-UHFFFAOYSA-N 0 1 524.598 6.250 50 0 KKAAMN Cc1ccc2c(c1C)NC(=O)[C@@]21N2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000059932652 554481882 /nfs/dbraw/zinc/48/18/82/554481882.db2.gz YOTKJXYNGWBHAW-GHQHKEJXSA-N 0 1 527.624 5.471 50 0 KKAAMN O=C(Nc1ccccc1)[C@H]1[C@@H](C(=O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000100858436 554493952 /nfs/dbraw/zinc/49/39/52/554493952.db2.gz NDHJEWNVIZTEAB-UHLQNUQBSA-N 0 1 529.571 5.438 50 0 KKAAMN CCc1ccc([C@@H]2C(S(=O)(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000064558190 554511717 /nfs/dbraw/zinc/51/17/17/554511717.db2.gz QEXDXYJSXVSNOX-JOCHJYFZSA-N 0 1 512.425 5.651 50 0 KKAAMN COc1ccc([C@@H]2C(S(=O)(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(Br)cc2)cc1 ZINC000064558182 554511736 /nfs/dbraw/zinc/51/17/36/554511736.db2.gz ADKTXPUIJIGZNX-OAQYLSRUSA-N 0 1 514.397 5.098 50 0 KKAAMN O=C1C(Nc2cccc(C(F)(F)F)c2)=C[C@@H](c2ccc(Br)cc2)N1c1cccc(C(F)(F)F)c1 ZINC000100896170 554514132 /nfs/dbraw/zinc/51/41/32/554514132.db2.gz MBECZPPLDQUYFX-NRFANRHFSA-N 0 1 541.289 7.571 50 0 KKAAMN CN1CC2=C(N=C3SC=C(c4ccc5c(c4)OCCO5)N3[C@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 ZINC000100976805 554547017 /nfs/dbraw/zinc/54/70/17/554547017.db2.gz JYAMMINFLKKSNR-CGVHCUEWSA-N 0 1 541.623 6.477 50 0 KKAAMN COc1ccc(/C=C2\CN(C)CC3=C2N=C2SC=C(c4ccc(Cl)cc4)N2[C@H]3c2ccc(OC)cc2)cc1 ZINC000100984866 554548199 /nfs/dbraw/zinc/54/81/99/554548199.db2.gz ZOCDJIMMLAXSPZ-TYZGFQJPSA-N 0 1 542.104 7.098 50 0 KKAAMN COc1cc(Br)cc2c1OC1(CCN(Cc3ccccc3)CC1)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 ZINC000100989574 554549966 /nfs/dbraw/zinc/54/99/66/554549966.db2.gz PDBWOFPXERRCHW-VWLOTQADSA-N 0 1 552.900 6.647 50 0 KKAAMN CC(C)Cc1ccc(C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@@H]3[C@]23c2ccccc2NC3=O)cc1 ZINC000101010023 554557416 /nfs/dbraw/zinc/55/74/16/554557416.db2.gz GNVREEUOLIYYGF-JRLXJTRMSA-N 0 1 532.684 6.474 50 0 KKAAMN Cc1[nH]c2ccccc2c1[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000101075928 554577446 /nfs/dbraw/zinc/57/74/46/554577446.db2.gz ZNEGYHPAXNBYEZ-VXNXHJTFSA-N 0 1 502.368 5.290 50 0 KKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3cc(C)ccc3N21 ZINC000101092447 554583020 /nfs/dbraw/zinc/58/30/20/554583020.db2.gz QBGDQVKNLNEOMM-UUROJUAVSA-N 0 1 541.445 5.710 50 0 KKAAMN CCOc1cc([C@@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1 ZINC000101100382 554587508 /nfs/dbraw/zinc/58/75/08/554587508.db2.gz QRJBMNROSUAROU-WZPDBAAASA-N 0 1 623.149 8.896 50 0 KKAAMN CCCCCc1ccc(C(=O)[C@@H]2[C@@H](C(C)=O)N3c4ccc(C)cc4C=C[C@@H]3[C@]23c2ccccc2NC3=O)cc1 ZINC000101106961 554640215 /nfs/dbraw/zinc/64/02/15/554640215.db2.gz HMDQMIFWBITOAK-ZYQCKUACSA-N 0 1 518.657 6.290 50 0 KKAAMN CCOc1cc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000101177411 554665299 /nfs/dbraw/zinc/66/52/99/554665299.db2.gz DMHNEUYLYCQTPN-OLUZHXLYSA-N 0 1 534.612 6.024 50 0 KKAAMN Cc1ccc2c(c1)N1[C@H](C=C2)[C@@]2(C(=O)Nc3ccccc32)C(=C(O)c2ccc(F)cc2)[C@H]1C(=O)c1ccccc1 ZINC000101197656 554672270 /nfs/dbraw/zinc/67/22/70/554672270.db2.gz BORWYOQJADXEQG-WFPUBZAHSA-N 0 1 528.583 5.990 50 0 KKAAMN CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1ccc(Cl)cc1)C(=C(O)c1ccccc1)[C@]21C(=O)Nc2ccccc21 ZINC000101200560 554672525 /nfs/dbraw/zinc/67/25/25/554672525.db2.gz BRXVSJPHZYSPQO-WFPUBZAHSA-N 0 1 545.038 6.586 50 0 KKAAMN COc1ccc([C@@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccccc2)cc1Br ZINC000101200817 554672731 /nfs/dbraw/zinc/67/27/31/554672731.db2.gz TWXMRUSISZIMHZ-VSKRKVRLSA-N 0 1 513.775 5.162 50 0 KKAAMN CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1Cl)C(=C(O)c1ccccc1)[C@]21C(=O)Nc2ccccc21 ZINC000101201244 554672780 /nfs/dbraw/zinc/67/27/80/554672780.db2.gz IMJXXWXDHQVWRC-WFPUBZAHSA-N 0 1 545.038 6.586 50 0 KKAAMN Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)c2ccc(Cl)cc2)C(=C(O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000101204051 554674052 /nfs/dbraw/zinc/67/40/52/554674052.db2.gz IDJVIDHNCGZBPO-WFPUBZAHSA-N 0 1 545.038 6.505 50 0 KKAAMN Cc1cc(N2CCN(CCOc3ccc(Cl)cc3)CC2)n2nc(C(F)(F)F)c(-c3ccc(F)cc3)c2n1 ZINC000101248994 554693836 /nfs/dbraw/zinc/69/38/36/554693836.db2.gz OEMUXOVXFUZAJT-UHFFFAOYSA-N 0 1 533.957 5.717 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000101254791 554695468 /nfs/dbraw/zinc/69/54/68/554695468.db2.gz GJSMFBIFWMGJEU-HKBQPEDESA-N 0 1 599.801 5.014 50 0 KKAAMN O=C(C[C@H]1C(=O)N(c2cccc(Cl)c2)C(=S)N1CCCN1CCN(Cc2ccccc2)CC1)Nc1ccc(Cl)cc1 ZINC000101254889 554695879 /nfs/dbraw/zinc/69/58/79/554695879.db2.gz OFHKWQNSBJRKHM-NDEPHWFRSA-N 0 1 610.611 5.532 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000101254840 554695885 /nfs/dbraw/zinc/69/58/85/554695885.db2.gz HRRJHFLXBYGZKG-HKBQPEDESA-N 0 1 617.791 5.153 50 0 KKAAMN CCCCCc1ccc(C(=O)[C@@H]2[C@@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000101280372 554705313 /nfs/dbraw/zinc/70/53/13/554705313.db2.gz OWOQNXIYDYCWDZ-NDQSGYKOSA-N 0 1 539.075 6.635 50 0 KKAAMN CCN1CCN(c2cc(C)c3cc(NC(=O)CCC(=O)Nc4ccc(Oc5ccccc5)cc4)ccc3n2)CC1 ZINC000101301811 554713851 /nfs/dbraw/zinc/71/38/51/554713851.db2.gz FZWFHQIPQJMEJE-UHFFFAOYSA-N 0 1 537.664 5.835 50 0 KKAAMN CCCOc1ccc(C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(c4cccc(CC)c4NC3=O)[C@]23c2ccccc2NC3=O)cc1 ZINC000101360939 554742536 /nfs/dbraw/zinc/74/25/36/554742536.db2.gz CTAVPFGAWVEDFC-RJYGDKEGSA-N 0 1 535.644 5.052 50 0 KKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101377870 554747074 /nfs/dbraw/zinc/74/70/74/554747074.db2.gz ZZEIYOYISSKPHU-ROTAYESASA-N 0 1 554.643 6.681 50 0 KKAAMN CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4ccc(Cl)cc4N4CCN(Cc5ccccc5)C[C@@H]43)C2=O)cc1 ZINC000101391665 554755205 /nfs/dbraw/zinc/75/52/05/554755205.db2.gz KDGHVVLSQKCCOI-GRKNLSHJSA-N 0 1 543.067 5.173 50 0 KKAAMN CC1=NN(c2ccc(C)cc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CCN(Cc3ccccc3)C[C@@H]12 ZINC000101391804 554755691 /nfs/dbraw/zinc/75/56/91/554755691.db2.gz ZRXMRYXHPCGGLA-XRKRLSELSA-N 0 1 529.482 5.414 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000101405945 554761683 /nfs/dbraw/zinc/76/16/83/554761683.db2.gz HDYKOMZZZKSPOY-CZTRJMPPSA-N 0 1 610.795 9.140 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@H]1c1ccc(C(=O)OC)cc1 ZINC000101423555 554767721 /nfs/dbraw/zinc/76/77/21/554767721.db2.gz YBGJIIWCXFDZSV-QYTMHSNXSA-N 0 1 578.753 8.901 50 0 KKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101424162 554768001 /nfs/dbraw/zinc/76/80/01/554768001.db2.gz UVFGIVLTUNCJCO-JMQGSBJISA-N 0 1 582.575 6.833 50 0 KKAAMN COc1cccc([C@@H]2C3=C(C[C@@H](c4ccc(Cl)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)c1 ZINC000101428815 554769398 /nfs/dbraw/zinc/76/93/98/554769398.db2.gz LOLNEGXUCXBLAN-GPNASLBKSA-N 0 1 535.043 8.213 50 0 KKAAMN COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)Cc2ccccc2)cc1 ZINC000101449071 554775198 /nfs/dbraw/zinc/77/51/98/554775198.db2.gz FWDZBYOKPURHBR-WJVKJDHCSA-N 0 1 556.662 7.574 50 0 KKAAMN COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)CC(C)C)cc1 ZINC000101466057 554780820 /nfs/dbraw/zinc/78/08/20/554780820.db2.gz KZHFZCDRQHIYCF-BNHRFMORSA-N 0 1 538.644 7.078 50 0 KKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)Cc2ccccc2)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000101468918 554781361 /nfs/dbraw/zinc/78/13/61/554781361.db2.gz OQBGXHBVCMGNAE-BWXVZPLGSA-N 0 1 604.703 7.514 50 0 KKAAMN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C(F)(F)F)[C@H]3c3ccccc3Cl)C2)cc1 ZINC000101470738 554781377 /nfs/dbraw/zinc/78/13/77/554781377.db2.gz FKCFVIXGPYKDFV-QUGAMOGWSA-N 0 1 526.942 7.461 50 0 KKAAMN O=C(Nc1ccc(Cl)c(Cl)c1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc(F)c1 ZINC000101500068 554787830 /nfs/dbraw/zinc/78/78/30/554787830.db2.gz FJUHWHHYVCUXFY-UKPGIYTDSA-N 0 1 572.467 9.388 50 0 KKAAMN Cc1[nH]n(-c2ccccc2)c(=O)c1[C@H](c1ccc(Cl)cc1)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)c1ccccc1 ZINC000101625395 554810971 /nfs/dbraw/zinc/81/09/71/554810971.db2.gz MRDJQDOFPWKMIJ-VMPREFPWSA-N 0 1 590.076 6.041 50 0 KKAAMN COc1ccc(Nc2cc(C(=O)NCCCN3CCN(c4ccc(F)cc4)CC3)c3ccccc3n2)c(OC)c1 ZINC000101633152 554812096 /nfs/dbraw/zinc/81/20/96/554812096.db2.gz LXRXJFXGOORNGD-UHFFFAOYSA-N 0 1 543.643 5.077 50 0 KKAAMN Cc1cc(Cl)cc2c1NC(=O)[C@]21N[C@@H](Cc2c[nH]c3ccccc23)[C@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@H]21 ZINC000101670782 554824237 /nfs/dbraw/zinc/82/42/37/554824237.db2.gz RPUKYEYTCDNLPT-MVPDCNEZSA-N 0 1 563.416 5.090 50 0 KKAAMN CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)[C@H]1c1cccs1 ZINC000101843173 554843061 /nfs/dbraw/zinc/84/30/61/554843061.db2.gz WQHUCHLZOUDQRA-FQLXRVMXSA-N 0 1 548.728 5.152 50 0 KKAAMN CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(C(C)C)CC1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000101868653 554845411 /nfs/dbraw/zinc/84/54/11/554845411.db2.gz WUUGDKFERAXQGA-UHFFFAOYSA-N 0 1 577.770 5.858 50 0 KKAAMN Cc1nn(-c2ccccc2)c(N2CCN(C)CC2)c1CN(CCC(C)C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000101869481 554845426 /nfs/dbraw/zinc/84/54/26/554845426.db2.gz KNYGIGLBZAWRPH-UHFFFAOYSA-N 0 1 545.753 5.323 50 0 KKAAMN CSc1ccc(NC(=O)CC[C@H]2C[N@H+](Cc3ccccn3)CC[C@H]2N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000101889578 554846194 /nfs/dbraw/zinc/84/61/94/554846194.db2.gz NCLFWVRMIBSWFW-QABMSTFYSA-N 0 1 597.751 6.254 50 0 KKAAMN COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc([O-])c(CC(=O)Nc3ccc(Cl)cc3)s2)cc1 ZINC000101972630 554860565 /nfs/dbraw/zinc/86/05/65/554860565.db2.gz SOUVLAYRZCYUOU-DQEYMECFSA-N 0 1 533.053 5.835 50 0 KKAAMN O=C(NCCCN1CCN(c2ccccc2)CC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000101979736 554863667 /nfs/dbraw/zinc/86/36/67/554863667.db2.gz DMQULUAMPQQQQA-KYJUHHDHSA-N 0 1 542.749 5.300 50 0 KKAAMN CCN1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)c(OC(=O)c4ccc(C)cc4)c(OC)c2)N3)C1 ZINC000102099668 554881214 /nfs/dbraw/zinc/88/12/14/554881214.db2.gz WWGVJAPQMASXGF-HSZRJFAPSA-N 0 1 556.482 5.854 50 0 KKAAMN CCN1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccc(Br)cc4)c(OC)c2)N3)C1 ZINC000102099484 554881224 /nfs/dbraw/zinc/88/12/24/554881224.db2.gz XYWXOMDWPDAYOM-QFIPXVFZSA-N 0 1 542.455 5.545 50 0 KKAAMN CC(C)Cc1ccc(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102191299 554894610 /nfs/dbraw/zinc/89/46/10/554894610.db2.gz GUWOERFYNJKZIU-IEMSDXTESA-N 0 1 593.148 7.456 50 0 KKAAMN CC(C)Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102191320 554894715 /nfs/dbraw/zinc/89/47/15/554894715.db2.gz RCTOPHZWRMEQHQ-IEMSDXTESA-N 0 1 558.703 6.803 50 0 KKAAMN COc1ccc(NS(=O)(=O)c2cc(C(=O)n3nc4c5c3cccc5C(=O)c3ccccc3-4)ccc2Cl)cc1 ZINC000102232399 554900158 /nfs/dbraw/zinc/90/01/58/554900158.db2.gz SKADLBNGJHGXGG-UHFFFAOYSA-N 0 1 543.988 5.399 50 0 KKAAMN Cc1cccc(N2CCN(Cc3cc(-c4cccs4)ccc3OCC(=O)N[C@H](C)c3nccs3)CC2)c1C ZINC000102334720 554912637 /nfs/dbraw/zinc/91/26/37/554912637.db2.gz IZLXPIFRTREFSB-HSZRJFAPSA-N 0 1 546.762 6.067 50 0 KKAAMN CN1CC2=C(N=C3SC=C(c4ccc(Br)cc4)N3[C@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 ZINC000102462454 554935340 /nfs/dbraw/zinc/93/53/40/554935340.db2.gz VPDWQCSGRSINMO-BSKIJULFSA-N 0 1 595.393 8.497 50 0 KKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C=Cc2ccccc2)[C@@H]3c2ccc(F)cc2)cc1 ZINC000102482084 554937445 /nfs/dbraw/zinc/93/74/45/554937445.db2.gz RNYXOHFKRCQICB-VNYPMVQGSA-N 0 1 544.626 8.098 50 0 KKAAMN COc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(C)=O)cc1COc1ccc(F)cc1 ZINC000102496122 554940610 /nfs/dbraw/zinc/94/06/10/554940610.db2.gz FIZAPDAWFNEFSA-PMERELPUSA-N 0 1 514.597 7.226 50 0 KKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000102515295 554947842 /nfs/dbraw/zinc/94/78/42/554947842.db2.gz DFBGZPKURYVVOG-HMILPKGGSA-N 0 1 552.549 6.825 50 0 KKAAMN COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](c4ccc(F)cc4)C3)[C@@H]2c2cccs2)cc(OC)c1OC ZINC000102649701 554995109 /nfs/dbraw/zinc/99/51/09/554995109.db2.gz QRGILHPFCPBJSS-QJWGWKRISA-N 0 1 584.669 7.777 50 0 KKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3cc(OC)c(OC)c(OC)c3)C2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000102650066 554995651 /nfs/dbraw/zinc/99/56/51/554995651.db2.gz NPTFAGYZIHNJEC-QTYPKTMWSA-N 0 1 572.658 6.690 50 0 KKAAMN CCc1cccc2c1NC(=O)[C@]21N2CCC[C@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000102657698 554999572 /nfs/dbraw/zinc/99/95/72/554999572.db2.gz QYQDPBFSISDNBS-WCISARMNSA-N 0 1 527.624 5.417 50 0 KKAAMN O=C(CN(CCN1CCCC1)C(=O)c1cccc(Cl)c1)N1CCc2sccc2[C@@H]1COc1ccc(F)cc1 ZINC000102679319 555005029 /nfs/dbraw/zinc/00/50/29/555005029.db2.gz YDJCLCDTEXPCQE-SANMLTNESA-N 0 1 556.103 5.284 50 0 KKAAMN CC(C)c1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(CCN2CCCC2)C(=O)c2cccc(Cl)c2)cc1 ZINC000102683893 555006699 /nfs/dbraw/zinc/00/66/99/555006699.db2.gz CAHZLTPNMRGWTH-GDLZYMKVSA-N 0 1 580.194 6.268 50 0 KKAAMN COc1ccc([C@@H]2N(c3ccccc3)O[C@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@]32c2ccccc2)cc1 ZINC000102706081 555014577 /nfs/dbraw/zinc/01/45/77/555014577.db2.gz KUWUBVXHHKKTIG-WAKHXKBOSA-N 0 1 506.558 5.077 50 0 KKAAMN COc1ccc([C@@H]2N(c3ccccc3)OC3C(=O)N(c4ccc(OC)cc4)C(=O)[C@@]32c2ccccc2)cc1 ZINC000102706081 555014579 /nfs/dbraw/zinc/01/45/79/555014579.db2.gz KUWUBVXHHKKTIG-WAKHXKBOSA-N 0 1 506.558 5.077 50 0 KKAAMN COc1cc([C@@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000102744919 555036466 /nfs/dbraw/zinc/03/64/66/555036466.db2.gz AEFDWUVQUGACEF-MPFGFTFXSA-N 0 1 534.568 5.274 50 0 KKAAMN Fc1ccccc1C1=NN2[C@H](C1)c1cc(Br)ccc1OC21CCN([C@@H]2CCCc3ccccc32)CC1 ZINC000102766705 555055548 /nfs/dbraw/zinc/05/55/48/555055548.db2.gz ZMUUQGILHLYLIZ-VSGBNLITSA-N 0 1 546.484 7.001 50 0 KKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1OCc1ccccc1 ZINC000102788386 555068458 /nfs/dbraw/zinc/06/84/58/555068458.db2.gz BJXBBPALIOOKJA-JXSYCYSGSA-N 0 1 528.652 8.226 50 0 KKAAMN O=C(N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1OCc1ccccc1)C(F)(F)F ZINC000102875367 555105205 /nfs/dbraw/zinc/10/52/05/555105205.db2.gz KXPMNHFHBJNLAF-GPNASLBKSA-N 0 1 568.595 8.378 50 0 KKAAMN O=C(N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1OCc1ccccc1)C(F)(F)F ZINC000102875371 555105504 /nfs/dbraw/zinc/10/55/04/555105504.db2.gz KXPMNHFHBJNLAF-QNLPTKCRSA-N 0 1 568.595 8.378 50 0 KKAAMN O=C(N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C2[C@H]1c1ccccc1Cl)C(F)(F)F ZINC000102878834 555108203 /nfs/dbraw/zinc/10/82/03/555108203.db2.gz WVFMTSZUSAGCOL-PUAOIOHZSA-N 0 1 514.906 7.592 50 0 KKAAMN COc1cc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@@H]3c2cccc(F)c2)cc(OC)c1OC ZINC000102881098 555109770 /nfs/dbraw/zinc/10/97/70/555109770.db2.gz DPQDHIYWHCXKSM-XGCWNURASA-N 0 1 570.539 6.964 50 0 KKAAMN COc1cccc(C(O)=C2[C@H](C(=O)c3ccccc3Cl)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000102893452 555131086 /nfs/dbraw/zinc/13/10/86/555131086.db2.gz IWFRXJVZMBJVMO-UIUKDCGCSA-N 0 1 575.064 6.595 50 0 KKAAMN CCCCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000102893803 555131618 /nfs/dbraw/zinc/13/16/18/555131618.db2.gz KMNZWHXZMZQCLV-PEAUBYLHSA-N 0 1 574.765 7.706 50 0 KKAAMN COc1cc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000102893828 555131683 /nfs/dbraw/zinc/13/16/83/555131683.db2.gz NCMPEINVANYLAC-HTWTXTHPSA-N 0 1 580.681 5.691 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccc(Cl)cc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102895519 555134723 /nfs/dbraw/zinc/13/47/23/555134723.db2.gz KBDZSYVWOIXFFL-CUTZTJRCSA-N 0 1 573.092 7.149 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@H](C(=O)c3ccc(C)cc3)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102896163 555135727 /nfs/dbraw/zinc/13/57/27/555135727.db2.gz RDTKWHJDEOVLTE-ZYDSRVDWSA-N 0 1 580.728 7.502 50 0 KKAAMN CCOc1cc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000102897231 555137540 /nfs/dbraw/zinc/13/75/40/555137540.db2.gz KDWRELCAWIZHRN-JBOQNHBVSA-N 0 1 555.030 6.369 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@H]1c1ccco1 ZINC000102926039 555150409 /nfs/dbraw/zinc/15/04/09/555150409.db2.gz WCPPYOOMIUKFEA-JPQMRUPTSA-N 0 1 510.678 8.708 50 0 KKAAMN Cc1cc(C(=O)Oc2ccc([C@@H]3c4c(O)n(-c5ccc(Cl)c(Cl)c5)c(O)c4ON3c3ccccc3)cc2)n(C)n1 ZINC000102928774 555154516 /nfs/dbraw/zinc/15/45/16/555154516.db2.gz PCLIYQSQRUVLBO-NXCFDTQHSA-N 0 1 577.424 5.306 50 0 KKAAMN COc1ccc([C@@H]2C3=C(C[C@H](c4cccc(F)c4)CC3=O)Nc3ccccc3N2C(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000102929780 555155807 /nfs/dbraw/zinc/15/58/07/555155807.db2.gz HIJOVAPPELJIHE-GHRAFVERSA-N 0 1 587.478 9.005 50 0 KKAAMN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)OCC(=O)Nc3ccccc3OCC)c(Cl)cc2Cl)cc1 ZINC000102936077 555163673 /nfs/dbraw/zinc/16/36/73/555163673.db2.gz ATHFFTLXMJTZMB-UHFFFAOYSA-N 0 1 567.447 5.387 50 0 KKAAMN Cc1c(NC(=O)c2cccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(F)cc3C)c2)c(=O)n(-c2ccccc2)n1C ZINC000102938207 555166541 /nfs/dbraw/zinc/16/65/41/555166541.db2.gz HZFCBBRBPQMYIN-UHFFFAOYSA-N 0 1 613.671 5.237 50 0 KKAAMN C[C@H](OC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1)C(=O)Nc1cccc(Cl)c1Cl ZINC000102975188 555185084 /nfs/dbraw/zinc/18/50/84/555185084.db2.gz ILNILTGOHXNHMB-LBPRGKRZSA-N 0 1 562.258 6.285 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)c1 ZINC000102976537 555186447 /nfs/dbraw/zinc/18/64/47/555186447.db2.gz UVDBNZQTQXBNIW-UHFFFAOYSA-N 0 1 553.065 6.111 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)ccc1N1CCCCC1 ZINC000102998652 555197802 /nfs/dbraw/zinc/19/78/02/555197802.db2.gz SHDKOYWNSGJKDN-UHFFFAOYSA-N 0 1 591.517 5.162 50 0 KKAAMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc4c(C)nn(-c5ccc(Cl)cc5)c4s3)ccc2Cl)cc1 ZINC000102999479 555199313 /nfs/dbraw/zinc/19/93/13/555199313.db2.gz FYPWEFABEVVHTB-UHFFFAOYSA-N 0 1 601.537 7.154 50 0 KKAAMN Cc1ccc(CN(C)C(=O)c2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c(Cl)cc2Cl)o1 ZINC000103000339 555199986 /nfs/dbraw/zinc/19/99/86/555199986.db2.gz GKHFVUQLGPUYOL-UHFFFAOYSA-N 0 1 521.344 5.987 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3cccc(Cl)c3)C2=O)c1 ZINC000103005021 555203266 /nfs/dbraw/zinc/20/32/66/555203266.db2.gz JIUJSJWEOWATLX-BWAHOGKJSA-N 0 1 560.031 5.789 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3cccc(C)c3)C2=O)c1 ZINC000103005157 555203405 /nfs/dbraw/zinc/20/34/05/555203405.db2.gz IEKACRKLBCWCSP-XHPQRKPJSA-N 0 1 539.613 5.444 50 0 KKAAMN COc1ccc2c(CC(=O)Nc3ccc(N4CCCCC4)c(S(=O)(=O)Nc4ccccc4OC)c3)coc2c1 ZINC000103012105 555207031 /nfs/dbraw/zinc/20/70/31/555207031.db2.gz GQPMJODFMUYEDM-UHFFFAOYSA-N 0 1 549.649 5.422 50 0 KKAAMN COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C[C@H](O)COCc1ccccc1 ZINC000103022010 555213095 /nfs/dbraw/zinc/21/30/95/555213095.db2.gz VIAUEWDTMOYEQE-SANMLTNESA-N 0 1 536.072 5.559 50 0 KKAAMN Cc1ccc([C@@H]2c3c(O)n(-c4ccc(C)c(Cl)c4)c(O)c3ON2c2cccc(Br)c2)cc1 ZINC000103025147 555215534 /nfs/dbraw/zinc/21/55/34/555215534.db2.gz YSNVCRQLJRUZRP-DNVJHFABSA-N 0 1 511.803 5.770 50 0 KKAAMN CCN1CCN(c2c(CN(C(=O)c3cccc(Br)c3)C(C)C)c(C)nn2-c2cccc(F)c2)CC1 ZINC000103025473 555215690 /nfs/dbraw/zinc/21/56/90/555215690.db2.gz IECHRDSWGDLMSH-UHFFFAOYSA-N 0 1 542.497 5.275 50 0 KKAAMN CSc1ccc(NC(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000103040094 555224511 /nfs/dbraw/zinc/22/45/11/555224511.db2.gz KBOITOQUUWEKPB-NGOKVRLYSA-N 0 1 552.741 5.712 50 0 KKAAMN C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Nc1cccc(Cl)c1Cl ZINC000103039999 555224531 /nfs/dbraw/zinc/22/45/31/555224531.db2.gz FWZPRJIMSLCVPB-CLYVBNDRSA-N 0 1 575.537 6.296 50 0 KKAAMN CCCCOc1ccc(C(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000103040144 555224538 /nfs/dbraw/zinc/22/45/38/555224538.db2.gz WRQAGDADNSFIDQ-FWUCURJTSA-N 0 1 563.739 5.777 50 0 KKAAMN O=C(CN(CCN1CCCC1)C(=O)c1cccc(C(F)(F)F)c1)N(Cc1cccs1)Cc1ccc(F)cc1 ZINC000103043918 555227025 /nfs/dbraw/zinc/22/70/25/555227025.db2.gz FKURGPYYNHAOTB-UHFFFAOYSA-N 0 1 547.618 5.673 50 0 KKAAMN O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 ZINC000103055066 555236740 /nfs/dbraw/zinc/23/67/40/555236740.db2.gz OBHDBBFFHHCUOC-AREMUKBSSA-N 0 1 568.500 6.857 50 0 KKAAMN CCCCCc1ccc(C(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000103061235 555242428 /nfs/dbraw/zinc/24/24/28/555242428.db2.gz CRAAZTDUHIJFSQ-BNHRFMORSA-N 0 1 561.767 6.331 50 0 KKAAMN CCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COc1ccccc1C ZINC000103064949 555245421 /nfs/dbraw/zinc/24/54/21/555245421.db2.gz VKEFOSCWQNXSIT-YTTGMZPUSA-N 0 1 583.817 6.887 50 0 KKAAMN CCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COCc1ccco1 ZINC000103072383 555252301 /nfs/dbraw/zinc/25/23/01/555252301.db2.gz CQHXEODWKVDYAN-SSEXGKCCSA-N 0 1 573.778 6.310 50 0 KKAAMN CC(C)CC(=O)Nc1ccc(C(=O)COC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000103102729 555280300 /nfs/dbraw/zinc/28/03/00/555280300.db2.gz HESDEIVPLGMFPF-UHFFFAOYSA-N 0 1 563.459 5.819 50 0 KKAAMN CCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COCc1ccccc1 ZINC000103176371 555327466 /nfs/dbraw/zinc/32/74/66/555327466.db2.gz KCIUKKCHMJAGTE-YTTGMZPUSA-N 0 1 569.790 6.326 50 0 KKAAMN Cc1cc(C)cc(Oc2coc3cc(OC[C@H](O)CN4CCN(C(c5ccccc5)c5ccccc5)CC4)ccc3c2=O)c1 ZINC000103261537 555346721 /nfs/dbraw/zinc/34/67/21/555346721.db2.gz MDCXHEBFLRVKKV-SSEXGKCCSA-N 0 1 590.720 6.349 50 0 KKAAMN CC(C)c1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@H]1C ZINC000103363019 555365325 /nfs/dbraw/zinc/36/53/25/555365325.db2.gz HNWYPQMPLZHZNV-IANOAQMISA-N 0 1 590.809 7.236 50 0 KKAAMN O=C1N(c2ccccc2)C(=O)C2(Cc3ccc(Cl)cc3N3CCN(Cc4ccccc4)C[C@@H]32)C(=O)N1c1ccccc1 ZINC000103409382 555395463 /nfs/dbraw/zinc/39/54/63/555395463.db2.gz ORQUPXIYXYDAJT-SSEXGKCCSA-N 0 1 577.084 5.773 50 0 KKAAMN COCCCN1C(=O)C(Nc2ccc(OC)cc2)=C(Sc2cccc(NS(=O)(=O)c3cccc(Cl)c3Cl)c2)C1=O ZINC000103424023 555404068 /nfs/dbraw/zinc/40/40/68/555404068.db2.gz NAKCJFPWCHQTOY-UHFFFAOYSA-N 0 1 622.552 5.624 50 0 KKAAMN CC(C)(C)c1ccc(CN2CCN(c3nc4nn(Cc5ccccc5)c(N)c4c(-c4ccccc4F)n3)CC2)cc1 ZINC000103428929 555411660 /nfs/dbraw/zinc/41/16/60/555411660.db2.gz LLJSJRVSNDWMQS-UHFFFAOYSA-N 0 1 549.698 5.883 50 0 KKAAMN CC(C)(C)C(=O)[C@@H]1C(=C(O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000103530867 555431184 /nfs/dbraw/zinc/43/11/84/555431184.db2.gz AZKFRKYWHBXYFA-ZGQJUUMOSA-N 0 1 545.466 6.582 50 0 KKAAMN COc1ccc(C2=CSC3=NC4=C(C[N@@H+](C)C/C4=C\c4ccc(OC(F)F)cc4)[C@@H](c4ccc(OC(F)F)cc4)N23)cc1 ZINC000103997549 571370968 /nfs/dbraw/zinc/37/09/68/571370968.db2.gz GJVJXWVYDNIBCS-LQSCNRDHSA-N 0 1 609.645 7.639 50 0 KKAAMN COc1ccc(C2=CSC3=NC4=C(CN(C)C/C4=C\c4ccc(OC(F)F)cc4)[C@@H](c4ccc(OC(F)F)cc4)N23)cc1 ZINC000103997549 571370969 /nfs/dbraw/zinc/37/09/69/571370969.db2.gz GJVJXWVYDNIBCS-LQSCNRDHSA-N 0 1 609.645 7.639 50 0 KKAAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)NC34CC5CC(CC(C5)C3)C4)[C@@H]2c2ccc(Cl)cc2)C1 ZINC000104103605 571373979 /nfs/dbraw/zinc/37/39/79/571373979.db2.gz RLVXDOGQCUIIFW-ZZHIIEOYSA-N 0 1 530.112 8.284 50 0 KKAAMN COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@H]3c2ccc(F)cc2)c1 ZINC000104116906 571374195 /nfs/dbraw/zinc/37/41/95/571374195.db2.gz KJTSPADKWNVTIR-QYBDOPJKSA-N 0 1 510.487 6.947 50 0 KKAAMN CC1(C)CC(=O)C2C(=Nc3ccccc3N(C(=O)Cc3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)C1 ZINC000104162728 571375818 /nfs/dbraw/zinc/37/58/18/571375818.db2.gz NCWYJDOKESPHLF-MUUNZHRXSA-N 0 1 505.445 8.029 50 0 KKAAMN Cc1ccccc1C(=O)N1CCCN(C(=O)[C@@H](C)N2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000105061364 571391075 /nfs/dbraw/zinc/39/10/75/571391075.db2.gz LUQQPNLBSSZAGB-LXFBAYGMSA-N 0 1 501.696 5.076 50 0 KKAAMN O=[P@@](/C=C(/Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1nc(-c2ccc(Br)s2)cs1 ZINC000105593373 571407841 /nfs/dbraw/zinc/40/78/41/571407841.db2.gz KLPIPNGEZRGFKB-HJGWPUIUSA-N 0 1 582.312 9.799 50 0 KKAAMN 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 571408744 /nfs/dbraw/zinc/40/87/44/571408744.db2.gz RFPUSBURMCLQQW-IEMSDXTESA-N 0 1 590.701 6.320 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000106019534 571410768 /nfs/dbraw/zinc/41/07/68/571410768.db2.gz DMRFTMFYUPUYNI-JCYYIGJDSA-N 0 1 554.986 5.619 50 0 KKAAMN O=C1C2=C(C(c3ccccc3)=NCCN2)[C@@H](c2ccc(Br)cc2)N1c1cccc(C(F)(F)F)c1 ZINC000106419863 571412488 /nfs/dbraw/zinc/41/24/88/571412488.db2.gz KSLGMIVDLDZALJ-XMMPIXPASA-N 0 1 526.356 5.902 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)c2)ccc1N1CCCC1 ZINC000150386738 571469496 /nfs/dbraw/zinc/46/94/96/571469496.db2.gz ZFMVDGZVAZYTEZ-QHCPKHFHSA-N 0 1 646.791 5.488 50 0 KKAAMN CCCCCCOc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(CCC)cc4)c(C(F)(F)F)oc3c2CN(CCC)CCC)cc1 ZINC000150388800 571471060 /nfs/dbraw/zinc/47/10/60/571471060.db2.gz BCHOYTDHTZBYGL-UHFFFAOYSA-N 0 1 681.792 10.357 50 0 KKAAMN CCCN(CCC)Cc1c(OC(=O)c2cc(OC)c(OC)c(OC)c2)ccc2c(=O)c(Oc3ccc(Cl)c(C)c3)c(C(F)(F)F)oc21 ZINC000150389125 571471559 /nfs/dbraw/zinc/47/15/59/571471559.db2.gz MFDFTFSENOTRHP-UHFFFAOYSA-N 0 1 678.100 8.433 50 0 KKAAMN COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCCN3CCN(c4ccc(F)cc4)CC3)C2=S)cc1Cl ZINC000150390632 571472854 /nfs/dbraw/zinc/47/28/54/571472854.db2.gz GIZRZGHJZHFZNI-HHHXNRCGSA-N 0 1 644.600 5.684 50 0 KKAAMN O=C(c1ccc(-c2nc(-c3ccc(Br)cc3)[nH]c2-c2ccccc2)cc1)c1ccc(C2=NC(c3ccc(Br)cc3)=N[C@@H]2c2ccccc2)cc1 ZINC000150391922 571474190 /nfs/dbraw/zinc/47/41/90/571474190.db2.gz CGRKOSPWQWULIQ-DIPNUNPCSA-N 0 1 776.532 11.158 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCCN2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000150396391 571476512 /nfs/dbraw/zinc/47/65/12/571476512.db2.gz ONGLMOZUNGQBJU-JGCGQSQUSA-N 0 1 692.282 5.849 50 0 KKAAMN CCOc1cc([C@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)CC(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000150397794 571476982 /nfs/dbraw/zinc/47/69/82/571476982.db2.gz NDLYFFBASGUQQN-YLZGDECLSA-N 0 1 665.230 9.923 50 0 KKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000150398172 571477095 /nfs/dbraw/zinc/47/70/95/571477095.db2.gz VXCLEFJMMDPBFJ-MBXDFBHOSA-N 0 1 680.754 7.611 50 0 KKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2cc(OC)c(OC)c(OC)c2)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000150398168 571477138 /nfs/dbraw/zinc/47/71/38/571477138.db2.gz VXCLEFJMMDPBFJ-JRTUOMDPSA-N 0 1 680.754 7.611 50 0 KKAAMN O=C1N[C@@H](c2c(Br)cc(Br)c([O-])c2Br)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000150399620 571477715 /nfs/dbraw/zinc/47/77/15/571477715.db2.gz ZTBZIKMHULFZID-HXUWFJFHSA-N 0 1 628.184 6.728 50 0 KKAAMN O=C1N[C@@H](c2c(Br)cc(Br)c([O-])c2Br)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000150399620 571477716 /nfs/dbraw/zinc/47/77/16/571477716.db2.gz ZTBZIKMHULFZID-HXUWFJFHSA-N 0 1 628.184 6.728 50 0 KKAAMN COc1ccc(Br)cc1[C@H]1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)C(=O)N1c1ccc(Br)c(C)c1 ZINC000150403351 571478641 /nfs/dbraw/zinc/47/86/41/571478641.db2.gz OVCHECSQFKKQOO-VXKWHMMOSA-N 0 1 708.017 7.895 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c2)ccc1C ZINC000150413990 571484996 /nfs/dbraw/zinc/48/49/96/571484996.db2.gz IWASCSAFQAXHFU-UHFFFAOYSA-N 0 1 696.207 5.309 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc3c4c2cccc4C(=O)N(c2cccc(C(F)(F)F)c2)C3=O)ccc1N1CCCCC1 ZINC000150420674 571487263 /nfs/dbraw/zinc/48/72/63/571487263.db2.gz XGAKELYDPOHHPL-UHFFFAOYSA-N 0 1 728.749 7.711 50 0 KKAAMN O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1N1CCOCC1)c1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(Cl)cc1Cl ZINC000150422341 571488211 /nfs/dbraw/zinc/48/82/11/571488211.db2.gz UIHDWMOLYSPZRT-UHFFFAOYSA-N 0 1 730.479 6.991 50 0 KKAAMN COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(SC2=C(Nc3ccc(Br)cc3)C(=O)N(Cc3ccco3)C2=O)cc1 ZINC000150423565 571488854 /nfs/dbraw/zinc/48/88/54/571488854.db2.gz TWNAUHFRAXPCGO-UHFFFAOYSA-N 0 1 719.433 6.599 50 0 KKAAMN COc1ccc(NC2=C(Sc3ccc(NS(=O)(=O)c4cc(Br)ccc4OC)cc3)C(=O)N(Cc3ccco3)C2=O)c(OC)c1 ZINC000150425775 571490067 /nfs/dbraw/zinc/49/00/67/571490067.db2.gz XPGDHKOYKOPEKH-UHFFFAOYSA-N 0 1 700.589 5.854 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)ccc1N1CCCCC1 ZINC000150438305 571496804 /nfs/dbraw/zinc/49/68/04/571496804.db2.gz MPYIOFKYUWAQIV-UHFFFAOYSA-N 0 1 668.882 5.759 50 0 KKAAMN CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2ccc(N3CCCCC3)c(S(=O)(=O)Nc3ccccc3OC)c2)c1 ZINC000150438312 571496889 /nfs/dbraw/zinc/49/68/89/571496889.db2.gz DCIVSLPFSSQTJZ-UHFFFAOYSA-N 0 1 669.870 5.369 50 0 KKAAMN COc1cc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2cc(Cl)cc(Cl)c2)cc(OC)c1OC ZINC000150440223 571497890 /nfs/dbraw/zinc/49/78/90/571497890.db2.gz TWOHEVSOPVWMIT-VXKWHMMOSA-N 0 1 665.140 7.386 50 0 KKAAMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccccc3SCC(=O)Nc3ccc(C(=O)OC)cc3)ccc2OC)cc1 ZINC000150452741 571503416 /nfs/dbraw/zinc/50/34/16/571503416.db2.gz HKYSKEUGTOHWNV-UHFFFAOYSA-N 0 1 649.747 5.664 50 0 KKAAMN COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)c3ccc(Cl)cc3)c2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000150453463 571503582 /nfs/dbraw/zinc/50/35/82/571503582.db2.gz BNXLIVGEFSOVRK-UHFFFAOYSA-N 0 1 654.981 6.534 50 0 KKAAMN COc1cc(OC)cc(-c2nc(-c3ccccc3)c(-c3ccc(-c4nc(-c5cc(OC)cc(OC)c5)[nH]c4-c4ccccc4)cc3)[nH]2)c1 ZINC000150453441 571503663 /nfs/dbraw/zinc/50/36/63/571503663.db2.gz IOGXRAJTBPEGBL-UHFFFAOYSA-N 0 1 634.736 9.169 50 0 KKAAMN COc1cc(OC)cc(-c2nc(-c3ccc(-c4nc(-c5cc(OC)cc(OC)c5)[nH]c4-c4ccccc4)cc3)c(-c3ccccc3)[nH]2)c1 ZINC000150453441 571503665 /nfs/dbraw/zinc/50/36/65/571503665.db2.gz IOGXRAJTBPEGBL-UHFFFAOYSA-N 0 1 634.736 9.169 50 0 KKAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccc(S(=O)(=O)N4CCc5ccccc5C4)c3)ccc2OC)cc1Br ZINC000150453643 571503832 /nfs/dbraw/zinc/50/38/32/571503832.db2.gz XLRJEAVMCCASDR-UHFFFAOYSA-N 0 1 686.606 5.266 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000150457388 571504871 /nfs/dbraw/zinc/50/48/71/571504871.db2.gz QBRYVBBYJJPODK-NHKHRBQYSA-N 0 1 664.350 6.850 50 0 KKAAMN O=C(NCCN1CCCCC1)c1csc(CN(CCC(c2ccccc2)c2ccccc2)Cc2ccc(OCc3ccccc3)cc2)n1 ZINC000150461434 571506392 /nfs/dbraw/zinc/50/63/92/571506392.db2.gz SGPJEDCZVQMDEQ-UHFFFAOYSA-N 0 1 658.912 8.162 50 0 KKAAMN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H](C)OC(=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000150502203 571519023 /nfs/dbraw/zinc/51/90/23/571519023.db2.gz BJQXRUOKNACELU-GOSISDBHSA-N 0 1 646.665 6.595 50 0 KKAAMN CSCC[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 ZINC000150663427 571528141 /nfs/dbraw/zinc/52/81/41/571528141.db2.gz KPXRSOBZIDDLJG-XRLCUDTISA-N 0 1 634.507 6.285 50 0 KKAAMN O[C@@H](COCc1ccco1)CN(Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000169680049 571556768 /nfs/dbraw/zinc/55/67/68/571556768.db2.gz NWXYRCUVHTYKDD-IRLDBZIGSA-N 0 1 507.389 5.298 50 0 KKAAMN Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCN(C(=O)c2ccccc2Cl)[C@@H](C)C1 ZINC000169681614 571557478 /nfs/dbraw/zinc/55/74/78/571557478.db2.gz ZRLFWKYXLLYDCH-RBTNQOKQSA-N 0 1 522.114 5.421 50 0 KKAAMN CCCCC[N@H+]1[C@H](c2ccc(OC)cc2OC)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]2[C@@]12CC(=O)N(c1ccc(C)cc1)C2=O ZINC000169712597 571559275 /nfs/dbraw/zinc/55/92/75/571559275.db2.gz NCFFNJNNMLKHOL-GOLATDCPSA-N 0 1 609.723 5.376 50 0 KKAAMN CCCCCN1[C@H](c2ccc(OC)cc2OC)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]2[C@@]12CC(=O)N(c1ccc(C)cc1)C2=O ZINC000169712597 571559276 /nfs/dbraw/zinc/55/92/76/571559276.db2.gz NCFFNJNNMLKHOL-GOLATDCPSA-N 0 1 609.723 5.376 50 0 KKAAMN O=C(CN1CCCC1)N1N=C(c2c(=O)[nH]c3ccc(Br)cc3c2-c2ccccc2)C[C@H]1c1cccc(Br)c1 ZINC000170620044 571562474 /nfs/dbraw/zinc/56/24/74/571562474.db2.gz BSFOXQBFFJSIEO-SANMLTNESA-N 0 1 634.372 6.906 50 0 KKAAMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Sc3ccc(Br)cc3)cc2)c(OC)c1 ZINC000170626726 571563143 /nfs/dbraw/zinc/56/31/43/571563143.db2.gz DLKYYKPACVORRX-HNNXBMFYSA-N 0 1 551.484 5.386 50 0 KKAAMN Clc1ccc(Cn2nc(CNCCSc3nnnn3-c3ccccc3)c(-c3ccccc3)n2)cc1Cl ZINC000261492495 572111003 /nfs/dbraw/zinc/11/10/03/572111003.db2.gz YIMPHGRXAGZLEL-UHFFFAOYSA-N 0 1 537.480 5.158 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)Nc3ccc4nc[nH]c4c3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263584799 572115487 /nfs/dbraw/zinc/11/54/87/572115487.db2.gz AULFJEZTIJAXBW-CUBQBAPOSA-N 0 1 613.715 5.205 50 0 KKAAMN COc1ccc(-c2coc3c4c(cc(=O)c-3c2O)OC(=O)C[C@@H]4c2coc3ccc(C)cc3c2=O)cc1OC ZINC000263586917 572125729 /nfs/dbraw/zinc/12/57/29/572125729.db2.gz ZPQSCMDVMOBZID-MRXNPFEDSA-N 0 1 526.497 5.039 50 0 KKAAMN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(OCCC)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OC ZINC000226821170 572142691 /nfs/dbraw/zinc/14/26/91/572142691.db2.gz YOUZGMQPDKYUSK-ZGIBFIJWSA-N 0 1 530.621 5.714 50 0 KKAAMN O=C(Oc1ccc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccc(Cl)cc2)cc1)c1ccccc1 ZINC000226832006 572142811 /nfs/dbraw/zinc/14/28/11/572142811.db2.gz LMJKUQKVRQKBDU-ZONZVBGPSA-N 0 1 542.950 5.749 50 0 KKAAMN CC(C)(C)C(=O)[C@@H]1[C@H](C(=O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N21 ZINC000226841595 572143385 /nfs/dbraw/zinc/14/33/85/572143385.db2.gz POGLVPOVFGUXSU-XZSHTLEFSA-N 0 1 511.021 5.928 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000226841465 572143504 /nfs/dbraw/zinc/14/35/04/572143504.db2.gz HOYVGSDKIFQSRO-LSBIRFPWSA-N 0 1 504.630 5.892 50 0 KKAAMN CC(C)(C)C(=O)[C@@H]1C(=C(O)c2ccc(F)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000226841558 572143517 /nfs/dbraw/zinc/14/35/17/572143517.db2.gz FFFLNPZJGHOYDF-XZSHTLEFSA-N 0 1 529.011 6.068 50 0 KKAAMN CCOc1cc([C@@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccccc2)cc(Br)c1O ZINC000226873460 572144506 /nfs/dbraw/zinc/14/45/06/572144506.db2.gz DLKDEKRTILPQDY-QZNHQXDQSA-N 0 1 543.801 5.258 50 0 KKAAMN O=C(Oc1ccc([C@@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccccc2)cc1)c1ccccc1 ZINC000226931832 572145955 /nfs/dbraw/zinc/14/59/55/572145955.db2.gz FGYBWTFVCYLGRF-ZONZVBGPSA-N 0 1 524.960 5.610 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccc(F)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N23)c1 ZINC000227020597 572147538 /nfs/dbraw/zinc/14/75/38/572147538.db2.gz WPJASERLAZFYKL-RJISQBBCSA-N 0 1 572.636 6.389 50 0 KKAAMN CC(C)Cc1ccc(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227030572 572147933 /nfs/dbraw/zinc/14/79/33/572147933.db2.gz GUWOERFYNJKZIU-UIUKDCGCSA-N 0 1 593.148 7.456 50 0 KKAAMN CCCCCc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3F)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227236143 572151637 /nfs/dbraw/zinc/15/16/37/572151637.db2.gz IRKBDBGPVWPMLQ-VIJPYWPYSA-N 0 1 584.691 7.415 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227243743 572152881 /nfs/dbraw/zinc/15/28/81/572152881.db2.gz VMXXIZXSKCFXJO-YQQRZDPSSA-N 0 1 579.121 7.210 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229602663 572155281 /nfs/dbraw/zinc/15/52/81/572155281.db2.gz PXTUMZQKCCHTGO-YQQRZDPSSA-N 0 1 526.592 5.551 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3cccc(OC)c3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4ccccc4N32)c1 ZINC000229648669 572158923 /nfs/dbraw/zinc/15/89/23/572158923.db2.gz DRZDKYKOOMXBJK-RJISQBBCSA-N 0 1 570.645 5.950 50 0 KKAAMN CC(C)Cc1ccc(C(O)=C2[C@H](C(=O)c3ccc(Br)cc3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229856299 572160703 /nfs/dbraw/zinc/16/07/03/572160703.db2.gz PEJWZSVCSMCFQF-CSSWAUQYSA-N 0 1 631.570 7.504 50 0 KKAAMN O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1[C@H](C(=O)c2ccc3c(c2)OCO3)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000229876750 572164404 /nfs/dbraw/zinc/16/44/04/572164404.db2.gz XDROSPZFMAZBPF-TXXWUWPHSA-N 0 1 646.699 6.721 50 0 KKAAMN COC(=O)C1(C(=O)OC)[C@H](c2ccccc2)[C@@H](C(=O)c2ccc(Cl)cc2Cl)N2C=Cc3ccccc3[C@H]21 ZINC000229932184 572170903 /nfs/dbraw/zinc/17/09/03/572170903.db2.gz XZLDJIMNFYMIEX-USZFVNFHSA-N 0 1 536.411 5.702 50 0 KKAAMN COc1ccc(C(=O)[C@H]2C(=C(O)c3ccc(OC)cc3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=Cc4ccccc4N23)cc1 ZINC000229936547 572171749 /nfs/dbraw/zinc/17/17/49/572171749.db2.gz VYVVVCHSIGQPSQ-KVOHOPFUSA-N 0 1 556.618 5.560 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(=C(O)c1ccc(Br)cc1)[C@@]21C(=O)Nc2ccccc21 ZINC000229943025 572172471 /nfs/dbraw/zinc/17/24/71/572172471.db2.gz ZWUKXFVQPKWIQI-OAJQQGRKSA-N 0 1 595.518 6.757 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccc(Cl)cc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229947739 572173102 /nfs/dbraw/zinc/17/31/02/572173102.db2.gz KBDZSYVWOIXFFL-FJLMOIIKSA-N 0 1 573.092 7.149 50 0 KKAAMN Cc1ccc(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccc(Cl)cc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229949491 572173155 /nfs/dbraw/zinc/17/31/55/572173155.db2.gz MRBCRXCYBAFLPE-NAQGONTDSA-N 0 1 551.067 6.566 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3ccc(C)cc3)N3c4ccc(C)cc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229955467 572173924 /nfs/dbraw/zinc/17/39/24/572173924.db2.gz LDAYFPOFXXVTBH-BEJGJRQXSA-N 0 1 568.673 6.558 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@H](C(=O)c3ccc(C)cc3)N3c4ccc(C)cc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229955836 572174003 /nfs/dbraw/zinc/17/40/03/572174003.db2.gz RDTKWHJDEOVLTE-ITHGDKCPSA-N 0 1 580.728 7.502 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1Cl)C(=C([O-])c1ccco1)[C@@]21C(=O)Nc2ccccc21 ZINC000229962272 572174843 /nfs/dbraw/zinc/17/48/43/572174843.db2.gz DLYNJURBUZENLF-OAJQQGRKSA-N 0 1 534.999 6.179 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1Cl)C(C(=O)c1ccco1)[C@@]21C(=O)Nc2ccccc21 ZINC000229962272 572174847 /nfs/dbraw/zinc/17/48/47/572174847.db2.gz DLYNJURBUZENLF-OAJQQGRKSA-N 0 1 534.999 6.179 50 0 KKAAMN O=C1Nc2ccccc2[C@@]12C(=C(O)c1ccc(Br)cc1)[C@@]1(C(=O)Nc3ccc(Cl)cc31)N1CCC[C@H]12 ZINC000229970393 572175361 /nfs/dbraw/zinc/17/53/61/572175361.db2.gz PNDSHIATOJKPKN-QJGCUMMJSA-N 0 1 562.851 5.117 50 0 biogenic KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccc4c(c3)OCO4)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=Cc4ccccc4N32)c1 ZINC000229984163 572176696 /nfs/dbraw/zinc/17/66/96/572176696.db2.gz QYHDOVMMBAAWSD-XYIJYTLJSA-N 0 1 570.601 5.280 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3F)N3c4ccccc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000230025344 572179606 /nfs/dbraw/zinc/17/96/06/572179606.db2.gz VWLYEPWPZOISMM-CLWMVSBGSA-N 0 1 544.582 5.690 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1Cl)C(=C(O)c1ccccc1)[C@@]21C(=O)Nc2ccccc21 ZINC000230022924 572179764 /nfs/dbraw/zinc/17/97/64/572179764.db2.gz IMJXXWXDHQVWRC-DCMQHHMNSA-N 0 1 545.038 6.586 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(=C(O)c1ccc(F)cc1)[C@@]21C(=O)Nc2ccccc21 ZINC000230090161 572183318 /nfs/dbraw/zinc/18/33/18/572183318.db2.gz GKLRDEHHVUXRTM-OAJQQGRKSA-N 0 1 534.612 6.133 50 0 KKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(F)ccc3N12 ZINC000230189851 572184830 /nfs/dbraw/zinc/18/48/30/572184830.db2.gz AGKBOHNBAXQCCL-XVOBZGQLSA-N 0 1 531.381 5.150 50 0 KKAAMN CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(CN[C@@H]3c4ccccc4C(=O)N3C[C@H]3CCCO3)CCC[C@]21C ZINC000238997395 572190026 /nfs/dbraw/zinc/19/00/26/572190026.db2.gz AFNBJAYDGOHJLH-AXEIPPLRSA-N 0 1 500.727 6.744 50 0 KKAAMN COc1ccc([C@@H]2N(c3ccccc3)O[C@H]3C(=O)N(c4cccc(OC)c4)C(=O)[C@@]32c2ccccc2)cc1 ZINC000239274649 572192553 /nfs/dbraw/zinc/19/25/53/572192553.db2.gz AMQXICBZAUZORP-WAKHXKBOSA-N 0 1 506.558 5.077 50 0 KKAAMN COc1ccc([C@@H]2N(c3ccccc3)OC3C(=O)N(c4cccc(OC)c4)C(=O)[C@@]32c2ccccc2)cc1 ZINC000239274649 572192557 /nfs/dbraw/zinc/19/25/57/572192557.db2.gz AMQXICBZAUZORP-WAKHXKBOSA-N 0 1 506.558 5.077 50 0 KKAAMN O=C1[C@@H]2[C@H](Cc3ccccc3)N[C@@]3(c4ccccc4N(Cc4ccccc4)C3=O)[C@H]2C(=O)N1c1cccc(Cl)c1 ZINC000245238440 572211989 /nfs/dbraw/zinc/21/19/89/572211989.db2.gz OUNJCHWZWVJYTM-NLNOQGQVSA-N 0 1 548.042 5.102 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(=C(O)c1ccc(F)cc1)[C@@]21C(=O)Nc2ccccc21 ZINC000245246043 572218386 /nfs/dbraw/zinc/21/83/86/572218386.db2.gz GKLRDEHHVUXRTM-WPQKMFINSA-N 0 1 534.612 6.133 50 0 KKAAMN Cc1ccc2c(c1)N1[C@H](C(=O)c3ccccc3)C(=C(O)c3ccc(Br)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]1C=C2 ZINC000245247162 572220211 /nfs/dbraw/zinc/22/02/11/572220211.db2.gz QTHCPGDTQYIYRO-AOFBEVEVSA-N 0 1 589.489 6.614 50 0 KKAAMN Cc1ccc2c(c1)N1[C@H](C=C2)[C@@]2(C(=O)Nc3ccccc32)C(=C(O)c2ccc(Br)cc2)[C@H]1C(=O)c1ccccc1 ZINC000245247164 572220368 /nfs/dbraw/zinc/22/03/68/572220368.db2.gz QTHCPGDTQYIYRO-HEFUCBFLSA-N 0 1 589.489 6.614 50 0 KKAAMN CC(C)Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245247153 572220472 /nfs/dbraw/zinc/22/04/72/572220472.db2.gz QPAIKQZCNOUISO-BCHNEZAYSA-N 0 1 567.129 7.127 50 0 KKAAMN Cc1ccc(Oc2c(CN(C[C@@H](O)COC(C)(C)C)C[C@H]3CCCO3)c(-c3ccccc3)nn2C)cc1 ZINC000245280854 572224490 /nfs/dbraw/zinc/22/44/90/572224490.db2.gz USSMCBOWIAXEKC-AOYPEHQESA-N 0 1 507.675 5.345 50 0 KKAAMN Cc1ccc(C(O)=C2[C@@H](C(=O)c3cccs3)N3c4ccc(C)cc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245310050 572228124 /nfs/dbraw/zinc/22/81/24/572228124.db2.gz GXTWKOGLUZIUQJ-AOFBEVEVSA-N 0 1 544.676 6.611 50 0 KKAAMN CC(=O)[C@@H]1C(=C(O)c2ccccc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3c4ccccc4ccc3N21 ZINC000245310666 572228638 /nfs/dbraw/zinc/22/86/38/572228638.db2.gz JNONEFZBHJQXSE-OGQOOFKISA-N 0 1 519.000 6.055 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(=C(O)c2ccc(F)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000245311023 572228676 /nfs/dbraw/zinc/22/86/76/572228676.db2.gz LQAIAPFEDGJJKY-CILKRHGOSA-N 0 1 548.639 6.442 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccccc2)[C@@]12C(=O)Nc1ccccc12 ZINC000245310706 572228685 /nfs/dbraw/zinc/22/86/85/572228685.db2.gz KBXMLDLMDMWVHZ-OLBUMSFYSA-N 0 1 524.620 6.241 50 0 KKAAMN Cc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccc(Cl)cc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245311048 572228796 /nfs/dbraw/zinc/22/87/96/572228796.db2.gz LXVVKALZLAJWHU-IANDGLOUSA-N 0 1 545.038 6.505 50 0 KKAAMN C[C@H]1CN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)Nc1cccc(Cl)c1 ZINC000245327550 572234052 /nfs/dbraw/zinc/23/40/52/572234052.db2.gz KIKISGOANDWTGW-UZTOHYMASA-N 0 1 541.092 5.643 50 0 KKAAMN O=C(NCCc1ccccc1)[C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247464704 572242454 /nfs/dbraw/zinc/24/24/54/572242454.db2.gz CEWYQWIONLSANJ-QFIPXVFZSA-N 0 1 517.471 5.359 50 0 KKAAMN O=C(NCc1ccc(Cl)cc1)[C@H]1CCCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247489606 572242577 /nfs/dbraw/zinc/24/25/77/572242577.db2.gz LXDOBCPACMYBJP-QFIPXVFZSA-N 0 1 507.465 5.920 50 0 KKAAMN O=C(NCc1ccc(Br)cc1)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247507528 572242865 /nfs/dbraw/zinc/24/28/65/572242865.db2.gz RYSPZJPVACBZGF-HXUWFJFHSA-N 0 1 582.340 6.079 50 0 KKAAMN O=C1NC(=O)[C@]2(Cc3cccc(F)c3N3CC[C@H](c4ccccc4)C[C@@H]32)C(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000247522658 572242956 /nfs/dbraw/zinc/24/29/56/572242956.db2.gz MAXQVMWNRPMCRJ-OIIQBSKFSA-N 0 1 537.513 5.423 50 0 KKAAMN O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247726609 572243712 /nfs/dbraw/zinc/24/37/12/572243712.db2.gz DRLIOSCWJRJHGA-RUZDIDTESA-N 0 1 595.541 7.218 50 0 KKAAMN O=C(Nc1ccccc1C(F)(F)F)[C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247739662 572244079 /nfs/dbraw/zinc/24/40/79/572244079.db2.gz MWXMBQXJOFZRQA-SFHVURJKSA-N 0 1 557.414 6.658 50 0 KKAAMN O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000247833283 572245681 /nfs/dbraw/zinc/24/56/81/572245681.db2.gz LPIRUWTWNVHHKM-NRFANRHFSA-N 0 1 594.518 5.668 50 0 KKAAMN O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000247833283 572245682 /nfs/dbraw/zinc/24/56/82/572245682.db2.gz LPIRUWTWNVHHKM-NRFANRHFSA-N 0 1 594.518 5.668 50 0 KKAAMN O=C(c1ccccc1Cl)N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000247828043 572245726 /nfs/dbraw/zinc/24/57/26/572245726.db2.gz JVPOUEPEGBSJJR-JOCHJYFZSA-N 0 1 560.073 5.015 50 0 KKAAMN O=C(c1ccccc1Cl)N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000247828043 572245727 /nfs/dbraw/zinc/24/57/27/572245727.db2.gz JVPOUEPEGBSJJR-JOCHJYFZSA-N 0 1 560.073 5.015 50 0 KKAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000247842186 572246092 /nfs/dbraw/zinc/24/60/92/572246092.db2.gz FVSLFOILDLDCPS-JOCHJYFZSA-N 0 1 592.969 6.002 50 0 KKAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000247849128 572246246 /nfs/dbraw/zinc/24/62/46/572246246.db2.gz HZELURLJXRHJRR-QFIPXVFZSA-N 0 1 565.615 5.744 50 0 KKAAMN Cc1cccc(C)c1NC(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247855528 572246543 /nfs/dbraw/zinc/24/65/43/572246543.db2.gz COWXHSMJWFTCHC-OAQYLSRUSA-N 0 1 517.471 6.256 50 0 KKAAMN COc1ccc(Cn2c(CN3CCC[C@H](C(=O)N4CCN(c5ccc(C)cc5C)CC4)C3)nc3ccccc32)cc1 ZINC000247860858 572246572 /nfs/dbraw/zinc/24/65/72/572246572.db2.gz GAXQRHMKVHAPHF-NDEPHWFRSA-N 0 1 551.735 5.271 50 0 KKAAMN Cc1ccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)c(C)c1 ZINC000247865083 572246718 /nfs/dbraw/zinc/24/67/18/572246718.db2.gz IHHFWVCVXULHBX-HHHXNRCGSA-N 0 1 556.154 5.916 50 0 KKAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000247871051 572247061 /nfs/dbraw/zinc/24/70/61/572247061.db2.gz QUAFEYCFHWNILI-JOCHJYFZSA-N 0 1 565.615 5.744 50 0 KKAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000247867653 572247277 /nfs/dbraw/zinc/24/72/77/572247277.db2.gz PFIDVHUPIFQJFH-JOCHJYFZSA-N 0 1 626.521 6.368 50 0 KKAAMN COc1ccc(Cn2c(CN3CCC[C@H](C(=O)N4CCN(c5cc(Cl)ccc5Cl)CC4)C3)nc3ccccc32)cc1 ZINC000247874517 572247613 /nfs/dbraw/zinc/24/76/13/572247613.db2.gz GMGMJUPYEJPEDF-DEOSSOPVSA-N 0 1 592.571 5.961 50 0 KKAAMN COc1ccc(Cn2c(CN3CCC[C@@H](C(=O)NCCc4ccc(Cl)cc4)C3)nc3ccccc32)cc1 ZINC000247878481 572247770 /nfs/dbraw/zinc/24/77/70/572247770.db2.gz IBVMIDJIPGWYKT-XMMPIXPASA-N 0 1 517.073 5.318 50 0 KKAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N(C1CCCCC1)C1CCCCC1 ZINC000247879039 572247941 /nfs/dbraw/zinc/24/79/41/572247941.db2.gz VBTOWVZIGGQYLA-DEOSSOPVSA-N 0 1 577.611 7.494 50 0 KKAAMN COc1ccc(Cn2c(CN3CCC[C@H](C(=O)N4CCN(c5cccc(Cl)c5Cl)CC4)C3)nc3ccccc32)cc1 ZINC000247880058 572247987 /nfs/dbraw/zinc/24/79/87/572247987.db2.gz IVNMSAAPOHKQCN-DEOSSOPVSA-N 0 1 592.571 5.961 50 0 KKAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2ccc(F)c(Cl)c2)CC1 ZINC000247879914 572248011 /nfs/dbraw/zinc/24/80/11/572248011.db2.gz VGURLSAZYRXRIZ-NRFANRHFSA-N 0 1 610.959 6.141 50 0 KKAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2ccc(F)cc2F)CC1 ZINC000247879979 572248052 /nfs/dbraw/zinc/24/80/52/572248052.db2.gz VIBOHMWTFSFTAP-OAQYLSRUSA-N 0 1 594.504 5.627 50 0 KKAAMN Cc1cccc(CNC(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)c1 ZINC000247883233 572248247 /nfs/dbraw/zinc/24/82/47/572248247.db2.gz CPRRMBIJIPEBQQ-JOCHJYFZSA-N 0 1 517.471 5.625 50 0 KKAAMN COc1ccc(Cn2c(CN3CCC[C@@H](C(=O)N4CCN(c5ccc(Cl)cc5Cl)CC4)C3)nc3ccccc32)cc1 ZINC000247893381 572248632 /nfs/dbraw/zinc/24/86/32/572248632.db2.gz NKLBMGNVHHFVTA-XMMPIXPASA-N 0 1 592.571 5.961 50 0 KKAAMN O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000247955204 572250636 /nfs/dbraw/zinc/25/06/36/572250636.db2.gz VEFWKOOXXOMUFV-OAQYLSRUSA-N 0 1 594.518 5.668 50 0 KKAAMN O=C(c1ccc(Cl)c(Cl)c1)N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000247955208 572250679 /nfs/dbraw/zinc/25/06/79/572250679.db2.gz VEGXQLXXALXIEM-JOCHJYFZSA-N 0 1 594.518 5.668 50 0 KKAAMN O=C(c1ccccc1Cl)N1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000247961124 572250788 /nfs/dbraw/zinc/25/07/88/572250788.db2.gz XQWFUADVZLRHBE-QFIPXVFZSA-N 0 1 620.979 5.638 50 0 KKAAMN O=C1Nc2ccccc2[C@@]12C(=C(O)c1ccc(Br)cc1)[C@@]1(C(=O)Nc3ccc(Cl)cc31)N1CCC[C@@H]12 ZINC000247959848 572250975 /nfs/dbraw/zinc/25/09/75/572250975.db2.gz PNDSHIATOJKPKN-LXEATBNUSA-N 0 1 562.851 5.117 50 0 KKAAMN Cc1cccc(NC(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)c1 ZINC000247975226 572251168 /nfs/dbraw/zinc/25/11/68/572251168.db2.gz CHCUKDXHYSUCOW-FQEVSTJZSA-N 0 1 503.444 5.947 50 0 KKAAMN CCCCN(CCC)C(=O)[C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247972615 572251177 /nfs/dbraw/zinc/25/11/77/572251177.db2.gz DOSXXQFLPXVCMN-NRFANRHFSA-N 0 1 511.508 6.039 50 0 KKAAMN CCCCN(C(=O)[C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)C(C)C ZINC000247983612 572251318 /nfs/dbraw/zinc/25/13/18/572251318.db2.gz IAVWZVKSBABHDI-NRFANRHFSA-N 0 1 511.508 6.037 50 0 KKAAMN Cc1ccc(NC(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1 ZINC000247992671 572251654 /nfs/dbraw/zinc/25/16/54/572251654.db2.gz NJPXBWJLONIXDD-FQEVSTJZSA-N 0 1 503.444 5.947 50 0 KKAAMN Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)cc1 ZINC000248079223 572253246 /nfs/dbraw/zinc/25/32/46/572253246.db2.gz IKDJTOWLLYGFOD-JOCHJYFZSA-N 0 1 517.471 5.625 50 0 KKAAMN Cc1ccc(CNC(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)cc1 ZINC000248079223 572253247 /nfs/dbraw/zinc/25/32/47/572253247.db2.gz IKDJTOWLLYGFOD-JOCHJYFZSA-N 0 1 517.471 5.625 50 0 KKAAMN CC[C@H](C(=O)N1CCCN(C(=O)[C@H](C)N2CCc3sccc3[C@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000248104803 572253605 /nfs/dbraw/zinc/25/36/05/572253605.db2.gz QLBLTERBNPVWOT-CXVLVDDRSA-N 0 1 529.750 5.647 50 0 KKAAMN Cc1cccc(CCNC(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)c1 ZINC000248109817 572253735 /nfs/dbraw/zinc/25/37/35/572253735.db2.gz QKNKDAPOYZFZPI-HSZRJFAPSA-N 0 1 531.498 5.667 50 0 KKAAMN Cc1cccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)c1 ZINC000248132282 572254780 /nfs/dbraw/zinc/25/47/80/572254780.db2.gz XIHNDDUMNJZCRB-XMMPIXPASA-N 0 1 572.551 5.657 50 0 KKAAMN Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)c1 ZINC000248132282 572254781 /nfs/dbraw/zinc/25/47/81/572254781.db2.gz XIHNDDUMNJZCRB-XMMPIXPASA-N 0 1 572.551 5.657 50 0 KKAAMN Cc1ccccc1CNC(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000248152177 572255806 /nfs/dbraw/zinc/25/58/06/572255806.db2.gz KHVUPPGFGWXEDT-JOCHJYFZSA-N 0 1 517.471 5.625 50 0 KKAAMN COc1ccccc1N1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000248156963 572255992 /nfs/dbraw/zinc/25/59/92/572255992.db2.gz ZUIIYMKAKGSURQ-QHCPKHFHSA-N 0 1 588.550 5.357 50 0 KKAAMN COc1ccc(Cn2c(CN3CCC[C@H](C(=O)N4CCN(c5cccc(C)c5C)CC4)C3)nc3ccccc32)cc1 ZINC000248162332 572256097 /nfs/dbraw/zinc/25/60/97/572256097.db2.gz POIHUFQOYQPEKW-NDEPHWFRSA-N 0 1 551.735 5.271 50 0 KKAAMN Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1C ZINC000248174010 572256257 /nfs/dbraw/zinc/25/62/57/572256257.db2.gz XYKLEBQEQQPAMU-OAQYLSRUSA-N 0 1 517.471 6.256 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2C(=C(O)c3ccc(OC)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)cc1 ZINC000248327900 572258042 /nfs/dbraw/zinc/25/80/42/572258042.db2.gz ATZUGKXQINDWCH-HXBWQCRLSA-N 0 1 570.645 5.950 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(=C(O)c1ccccc1)[C@]21C(=O)Nc2ccccc21 ZINC000248340630 572258457 /nfs/dbraw/zinc/25/84/57/572258457.db2.gz VEHPXVNIMUZWOI-YUAOJYLXSA-N 0 1 510.593 5.933 50 0 KKAAMN CCc1cccc2c1NC(=O)[C@@]21N2CCC[C@@H]2[C@H](C(=O)c2ccc(Br)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000252006915 572259676 /nfs/dbraw/zinc/25/96/76/572259676.db2.gz PJAKLDZWFIABNU-PEMRLZPOSA-N 0 1 556.460 5.026 50 0 KKAAMN CCc1ccccc1NC(=O)[C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000252004459 572259685 /nfs/dbraw/zinc/25/96/85/572259685.db2.gz NXRGIXMZPUYBHY-NRFANRHFSA-N 0 1 517.471 6.201 50 0 KKAAMN CC(C)c1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)cc1 ZINC000252139629 572259806 /nfs/dbraw/zinc/25/98/06/572259806.db2.gz GDSLOORRTAEJLM-SANMLTNESA-N 0 1 600.605 6.472 50 0 KKAAMN CC(C)c1ccc(N2CCN(C(=O)[C@H]3CCCN(Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)cc1 ZINC000252139629 572259807 /nfs/dbraw/zinc/25/98/07/572259807.db2.gz GDSLOORRTAEJLM-SANMLTNESA-N 0 1 600.605 6.472 50 0 KKAAMN CCc1ccccc1N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000252023306 572259929 /nfs/dbraw/zinc/25/99/29/572259929.db2.gz ZTJFTHYDMANINC-VWLOTQADSA-N 0 1 586.578 5.911 50 0 KKAAMN CCc1ccccc1N1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000252023306 572259930 /nfs/dbraw/zinc/25/99/30/572259930.db2.gz ZTJFTHYDMANINC-VWLOTQADSA-N 0 1 586.578 5.911 50 0 KKAAMN Cc1ccc([C@@H]2CC(c3cccc(N(C)C)c3)=NN2c2nc3cc(Cl)ccc3c(-c3ccccc3)n2)cc1 ZINC000252504565 572262001 /nfs/dbraw/zinc/26/20/01/572262001.db2.gz VKTKIKNZPZQQFR-PMERELPUSA-N 0 1 518.064 7.680 50 0 KKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3cc(C)ccc3N21 ZINC000252517174 572262239 /nfs/dbraw/zinc/26/22/39/572262239.db2.gz BHAUNPDRZCCCNU-LCQQBMRFSA-N 0 1 531.439 6.254 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccc(F)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000253389802 572283454 /nfs/dbraw/zinc/28/34/54/572283454.db2.gz HZGSWTBAPPLUJK-OLBUMSFYSA-N 0 1 542.610 6.380 50 0 KKAAMN COc1ccc2nc3c(cc2c1)[C@@H](CC(=O)N1CCCCC1)c1c(cc(=O)c2c(O)cc(-c4ccccc4)oc1-2)O3 ZINC000253406015 572286243 /nfs/dbraw/zinc/28/62/43/572286243.db2.gz IQOHCFPESRRCML-JOCHJYFZSA-N 0 1 548.595 6.363 50 0 KKAAMN COc1ccc2occ([C@@H]3CC(=O)Oc4cc(=O)c5c(O)c(-c6ccc(Cl)cc6)coc-5c43)c(=O)c2c1 ZINC000253406659 572286476 /nfs/dbraw/zinc/28/64/76/572286476.db2.gz JCCKJZNRNFDHDV-INIZCTEOSA-N 0 1 516.889 5.375 50 0 KKAAMN COc1cccc([C@H]2CC(=O)Oc3c(C(C)=O)c(O)c4c(C)cc(=O)oc4c32)c1OCCc1ccc2c(c1)CCO2 ZINC000253411539 572287740 /nfs/dbraw/zinc/28/77/40/572287740.db2.gz OTKYSJWIWQVDBN-OAQYLSRUSA-N 0 1 556.567 5.016 50 0 KKAAMN O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c(O)c1-3)[C@@H](c1ccccc1OCc1ccccn1)CC(=O)O2 ZINC000253412640 572288099 /nfs/dbraw/zinc/28/80/99/572288099.db2.gz RPGGGJSIMJHOAB-OAQYLSRUSA-N 0 1 525.944 6.234 50 0 KKAAMN COc1ccc2cc3c(nc2c1)Oc1cc(=O)c2c(O)cc(-c4ccccc4)oc-2c1[C@@H]3CC(=O)N1CCCCC1 ZINC000253412890 572288170 /nfs/dbraw/zinc/28/81/70/572288170.db2.gz SJWNYAFXXWPCDV-JOCHJYFZSA-N 0 1 548.595 6.363 50 0 KKAAMN CCCc1ccc(NC(=O)[C@H]2CCCN(Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)cc1 ZINC000253607358 572300873 /nfs/dbraw/zinc/30/08/73/572300873.db2.gz OYMBXIUPDKGUPR-QFIPXVFZSA-N 0 1 531.498 6.591 50 0 KKAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1ccc2nc(CC(C)C)[nH]c2c1 ZINC000409413429 1069808178 /nfs/dbraw/zinc/80/81/78/1069808178.db2.gz LRVIMHVVRUDHAZ-NOSXFEKWSA-N 0 1 669.823 6.403 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C)C(=O)Nc3ccc4nc(CC(C)C)[nH]c4c3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000409413700 1069809232 /nfs/dbraw/zinc/80/92/32/1069809232.db2.gz SEBFBXMKTLJSTB-CLOONOSVSA-N 0 1 627.742 5.377 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C(=O)Nc3n[nH]c(CCC4CCCC4)n3)C(C)C)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409413712 1069809498 /nfs/dbraw/zinc/80/94/98/1069809498.db2.gz SQNZABIPTKALOQ-OOWIMERYSA-N 0 1 646.789 5.179 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C(=O)Nc3nc(CCC4CCCC4)n[nH]3)C(C)C)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409413712 1069809532 /nfs/dbraw/zinc/80/95/32/1069809532.db2.gz SQNZABIPTKALOQ-OOWIMERYSA-N 0 1 646.789 5.179 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)Nc3ccc4nc(CC(C)C)[nH]c4c3)c(=O)cc1[C@H](NC(C)=O)CC2 ZINC000409414767 1069811162 /nfs/dbraw/zinc/81/11/62/1069811162.db2.gz OCPBZMNGFBHXLX-JOMNFKBKSA-N 0 1 669.823 6.403 50 0 KKAAMN COC(=O)C[C@H](c1ccc(C(C)C)cc1)c1c(O)c(C(C)=O)cc([C@H]2OCc3cnc(C)c(O)c32)c1O ZINC000524730181 1069831293 /nfs/dbraw/zinc/83/12/93/1069831293.db2.gz YOFFZPHGIPRJHC-ONOMSOESSA-N 0 1 505.567 5.147 50 0 KKAAMN COC(=O)C[C@@H](c1cccc(OCc2ccccc2)c1)c1c(O)c(C(C)=O)cc([C@H]2OCc3cnc(C)c(O)c32)c1O ZINC000524730175 1069831564 /nfs/dbraw/zinc/83/15/64/1069831564.db2.gz YJZOHRSWCKOMTR-OGVWKLGRSA-N 0 1 569.610 5.603 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccc(Cl)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000524732836 1069836860 /nfs/dbraw/zinc/83/68/60/1069836860.db2.gz SABPLPPUZHYNMI-ZXFZPVEDSA-N 0 1 559.065 6.895 50 0 KKAAMN O=C(c1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(Cl)cc1Cl)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000102996099 1069851894 /nfs/dbraw/zinc/85/18/94/1069851894.db2.gz LMGAMCSUBLSOJN-YVMONPNESA-N 0 1 564.922 5.919 50 0 KKAAMN COC(=O)C[C@H](c1ccc(C(F)(F)F)cc1)c1c(O)c(C(C)=O)cc([C@H]2OCc3cnc(C)c(O)c32)c1O ZINC000409415379 1070929503 /nfs/dbraw/zinc/92/95/03/1070929503.db2.gz DMIZCDRXPXQUFD-WXTAPIANSA-N 0 1 531.483 5.043 50 0 KKAAMN CCOc1ccccc1NC=C1c2ccccc2C(=O)N(c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)C1=O ZINC000103004398 1070970017 /nfs/dbraw/zinc/97/00/17/1070970017.db2.gz YDCSGQUBXHKBTL-QQTULTPQSA-N 0 1 569.639 5.535 50 0 KKAAMN CC[C@H](C)[C@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(-c2cc3ccccc3[nH]2)n[nH]1 ZINC000888090269 1071063091 /nfs/dbraw/zinc/06/30/91/1071063091.db2.gz PGERWJLHYICYQT-MUGYHNDRSA-N 0 1 679.778 5.595 50 0 KKAAMN CC[C@H](C)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)Nc1nc(-c2ccccc2)n[nH]1 ZINC000888089415 1071060600 /nfs/dbraw/zinc/06/06/00/1071060600.db2.gz AUPVMVUPRQOWCR-MLIAIACYSA-N 0 1 640.741 5.113 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CCSC)C(=O)Nc3nc(C4CCCCC4)n[nH]3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000888090790 1071066558 /nfs/dbraw/zinc/06/65/58/1071066558.db2.gz UZTVGRVLBHSSNM-AZGAKELHSA-N 0 1 664.829 5.201 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](CCSC)C(=O)Nc3n[nH]c(C4CCCCC4)n3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000888090790 1071066574 /nfs/dbraw/zinc/06/65/74/1071066574.db2.gz UZTVGRVLBHSSNM-AZGAKELHSA-N 0 1 664.829 5.201 50 0 KKAAMN CCOC(=O)c1c(NC=C2c3ccccc3C(=O)N(c3cccc(S(=O)(=O)Nc4ccccc4OC)c3)C2=O)sc2c1CC[C@H](C)C2 ZINC000150386762 1071170420 /nfs/dbraw/zinc/17/04/20/1071170420.db2.gz WQDRWONLFKRIOY-WZVOASFVSA-N 0 1 671.797 6.499 50 0 KKAAMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)/C=C\c3ccc(Br)o3)ccc2Cl)cc1 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COc1ccc(-c2nc(SCC(=O)Nc3ccc4c(c3)OCO4)c(-c3ccc(F)cc3)[nH]2)cc1OC ZINC000008594692 553087709 /nfs/dbraw/zinc/08/77/09/553087709.db2.gz LRICYJKRJWYIED-UHFFFAOYSA-N 0 1 507.543 5.360 50 0 KKAAMN CCc1cc([C@H](c2cccc(F)c2)N2CCC(Cc3ccccc3)CC2)c(NC(=O)c2ccccc2)s1 ZINC000008763669 553137854 /nfs/dbraw/zinc/13/78/54/553137854.db2.gz BWBFGVZUHJHYIL-PMERELPUSA-N 0 1 512.694 7.746 50 0 KKAAMN Cc1ccc(Nc2cc(C(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)c3ccccc3n2)c(C)c1 ZINC000008814220 553151329 /nfs/dbraw/zinc/15/13/29/553151329.db2.gz YCMNZSJDDOFRDZ-UHFFFAOYSA-N 0 1 528.100 6.191 50 0 KKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(Cl)c(C)cc4O)c3[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000008845396 553165458 /nfs/dbraw/zinc/16/54/58/553165458.db2.gz FSYIVWBPYJWLQX-LJAQVGFWSA-N 0 1 516.041 6.664 50 0 KKAAMN COc1cc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2Cc2ccccc2Cl)ccc1O ZINC000008845398 553165581 /nfs/dbraw/zinc/16/55/81/553165581.db2.gz LGLMKNVHTJNXLD-VWLOTQADSA-N 0 1 510.377 5.857 50 0 KKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(Cl)c(C)cc4O)c3[C@H]2c2cccc(Cl)c2)cc1 ZINC000008845391 553165610 /nfs/dbraw/zinc/16/56/10/553165610.db2.gz GSGQJNGTAQIKMD-AREMUKBSSA-N 0 1 508.405 6.194 50 0 KKAAMN Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2ccc3nc(N4CCC(C)CC4)sc3c2)CC1 ZINC000008912730 553185331 /nfs/dbraw/zinc/18/53/31/553185331.db2.gz GIJHWPDDBGUOSJ-UHFFFAOYSA-N 0 1 526.150 5.437 50 0 KKAAMN COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)ccc1OC(=O)c1cccc2ccccc21 ZINC000008923137 553190220 /nfs/dbraw/zinc/19/02/20/553190220.db2.gz SPJXXTJDQBPIJC-HHHXNRCGSA-N 0 1 527.646 6.325 50 0 KKAAMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc3c(cccc3Br)s2)cc1 ZINC000008958687 553194452 /nfs/dbraw/zinc/19/44/52/553194452.db2.gz HEHNVGUTOVUXAF-UHFFFAOYSA-N 0 1 502.415 5.420 50 0 KKAAMN O=C(c1cccs1)[C@@H]1C(=C(O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000009010021 553199722 /nfs/dbraw/zinc/19/97/22/553199722.db2.gz MBAMLEPQTJUKSS-BYBRNZAOSA-N 0 1 502.595 5.604 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000009015598 553200318 /nfs/dbraw/zinc/20/03/18/553200318.db2.gz NZRGXNYNQIZRMS-ZQPSKXNCSA-N 0 1 506.602 5.284 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2[C@@H](C(C)=O)N3c4ccc5ccccc5c4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000009015681 553200340 /nfs/dbraw/zinc/20/03/40/553200340.db2.gz WFTKIDHKJDWAQE-NDQSGYKOSA-N 0 1 514.581 5.411 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000009016137 553200769 /nfs/dbraw/zinc/20/07/69/553200769.db2.gz KBXMLDLMDMWVHZ-XYIJYTLJSA-N 0 1 524.620 6.241 50 0 KKAAMN COc1ccc([C@@H]2N(c3ccccc3)O[C@@H]3C(=O)N(c4cccc(OC)c4)C(=O)[C@]32c2ccccc2)cc1 ZINC000009076201 553207657 /nfs/dbraw/zinc/20/76/57/553207657.db2.gz AMQXICBZAUZORP-QXIHQKPUSA-N 0 1 506.558 5.077 50 0 KKAAMN COc1ccc([C@@H]2N(c3ccccc3)OC3C(=O)N(c4cccc(OC)c4)C(=O)[C@]32c2ccccc2)cc1 ZINC000009076201 553207658 /nfs/dbraw/zinc/20/76/58/553207658.db2.gz AMQXICBZAUZORP-QXIHQKPUSA-N 0 1 506.558 5.077 50 0 KKAAMN COc1ccc(Cc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)C4c2ccccc2)cc1 ZINC000009209547 553220261 /nfs/dbraw/zinc/22/02/61/553220261.db2.gz CZEFZEXTHRHHNF-AREMUKBSSA-N 0 1 500.562 5.504 50 0 KKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4cc(Cl)c(C)cc4O)c3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000009242951 553226581 /nfs/dbraw/zinc/22/65/81/553226581.db2.gz BYEMXBLDIVOZDU-MHZLTWQESA-N 0 1 503.986 5.549 50 0 KKAAMN COc1ccc(N=C2C[C@@H](c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000009290906 553234514 /nfs/dbraw/zinc/23/45/14/553234514.db2.gz SJPBLTDPMZTWFB-NDEPHWFRSA-N 0 1 514.666 7.088 50 0 KKAAMN FC(F)Oc1cccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCN([C@H]3CCCc4ccccc43)CC2)c1 ZINC000009331655 553242684 /nfs/dbraw/zinc/24/26/84/553242684.db2.gz CTHQDRHOBNALTE-NSOVKSMOSA-N 0 1 515.604 6.701 50 0 KKAAMN CN1CCN(c2ccccc2NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)[C@H]2c2cccs2)CC1 ZINC000009407213 553257014 /nfs/dbraw/zinc/25/70/14/553257014.db2.gz UIIJHNXJGYOHPP-IZLXSDGUSA-N 0 1 514.695 5.362 50 0 KKAAMN Cc1cc(N2CCN(Cn3cc(CCCC(=O)N4CCCCC4)c4ccccc43)CC2)nc2ccccc12 ZINC000009423511 553258248 /nfs/dbraw/zinc/25/82/48/553258248.db2.gz XFFDHVCKBIUDGD-UHFFFAOYSA-N 0 1 509.698 5.613 50 0 KKAAMN Cc1nn(-c2ccc(C)cc2)c2nc(C)cc(C(=O)NCC3CCN(Cc4ccc(Cl)cc4)CC3)c12 ZINC000009610443 553288469 /nfs/dbraw/zinc/28/84/69/553288469.db2.gz OVWFBMHUHUITBK-UHFFFAOYSA-N 0 1 502.062 5.641 50 0 KKAAMN Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2ccc3c(c2)nc2c(c3Cl)CCCC2)CC1 ZINC000009611679 553289418 /nfs/dbraw/zinc/28/94/18/553289418.db2.gz PAWZRKODCJHBQD-UHFFFAOYSA-N 0 1 511.497 5.671 50 0 KKAAMN COc1ccc(-c2[nH]c(-c3ccc(SC)cc3)nc2SCC(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000009674228 553294691 /nfs/dbraw/zinc/29/46/91/553294691.db2.gz HCPBLGYHBNUBQI-UHFFFAOYSA-N 0 1 519.648 5.976 50 0 KKAAMN O=C(CSc1c2cc(Cl)ccc2nc2c1CCCC2)NCCCN1CCN(c2ccc(F)cc2)CC1 ZINC000009693751 553298874 /nfs/dbraw/zinc/29/88/74/553298874.db2.gz LTNLSXDQVPYVMG-UHFFFAOYSA-N 0 1 527.109 5.327 50 0 KKAAMN CCCCOc1ccc([C@@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(OC)c(Cl)c2)cc1 ZINC000009778217 553306908 /nfs/dbraw/zinc/30/69/08/553306908.db2.gz MEHKLGBAQYXJQF-JWQCQUIFSA-N 0 1 504.970 5.280 50 0 KKAAMN CCCCOc1ccc([C@@H]2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(OC)c(Cl)c2)cc1 ZINC000009778210 553306925 /nfs/dbraw/zinc/30/69/25/553306925.db2.gz MEHKLGBAQYXJQF-RPBOFIJWSA-N 0 1 504.970 5.280 50 0 KKAAMN COc1ccc(Br)cc1[C@@H]1C(C(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)=C(C)Nc2ncnn21 ZINC000009942100 553319715 /nfs/dbraw/zinc/31/97/15/553319715.db2.gz RGEHWBRWIPURQI-AWSYCSROSA-N 0 1 503.441 5.342 50 0 KKAAMN Cc1ccccc1-c1cc(N2CCN(C)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000011681563 553340256 /nfs/dbraw/zinc/34/02/56/553340256.db2.gz WAXQNWCZJDTGBU-UHFFFAOYSA-N 0 1 578.601 6.787 50 0 fda KKAAMN CN(Cc1cnn(C)c1)Cc1ccc(OC2CCN(C(=O)[C@@H](c3ccccc3)C3CCCC3)CC2)cc1 ZINC000012219208 553354574 /nfs/dbraw/zinc/35/45/74/553354574.db2.gz RWWFCNGZERGFLC-PMERELPUSA-N 0 1 500.687 5.396 50 0 KKAAMN O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC(n2c3ccc(C(F)(F)F)cc3nc2[C@H]2CCCO2)CC1 ZINC000012244660 553354799 /nfs/dbraw/zinc/35/47/99/553354799.db2.gz KQJBQKDKXWQUJL-XMMPIXPASA-N 0 1 509.532 5.774 50 0 KKAAMN C[C@H](NC(=O)c1ccc(CN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)[nH]c1=O)c1cccs1 ZINC000012245709 553355138 /nfs/dbraw/zinc/35/51/38/553355138.db2.gz SSHSWQGHGNRBKE-QFIPXVFZSA-N 0 1 527.690 5.076 50 0 KKAAMN COc1ccc([C@H](CNC(=O)c2ccccc2SCC(=O)Nc2ccc(F)cc2)N2CCCCC2)cc1 ZINC000012681275 553412750 /nfs/dbraw/zinc/41/27/50/553412750.db2.gz HSLLZQRCZXHTJS-SANMLTNESA-N 0 1 521.658 5.522 50 0 KKAAMN COc1cc2nc(SCc3c(F)cccc3Cl)n3c(Cc4ccccc4)c(O)nc3c2cc1OC ZINC000012951542 553428785 /nfs/dbraw/zinc/42/87/85/553428785.db2.gz VTODCVSFMHBURK-OAQYLSRUSA-N 0 1 509.990 5.631 50 0 KKAAMN COc1cc(OC)c(-c2nc(-c3ccc(Br)cc3)c(-c3ccccc3)[nH]2)cc1Br ZINC000013596040 553477203 /nfs/dbraw/zinc/47/72/03/553477203.db2.gz WXOYFQQQHRGGPM-UHFFFAOYSA-N 0 1 514.217 6.953 50 0 KKAAMN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000013811452 553492665 /nfs/dbraw/zinc/49/26/65/553492665.db2.gz PFQZZQCRQNQZAQ-NHKHRBQYSA-N 0 1 514.622 5.932 50 0 KKAAMN Cc1ccc2nc(SCC(=O)N3N=C4C(=Cc5cccs5)CCC[C@@H]4[C@@H]3c3cccs3)[nH]c2c1 ZINC000014360474 553513991 /nfs/dbraw/zinc/51/39/91/553513991.db2.gz OGJUTUCANNPELU-KNGQQDNVSA-N 0 1 504.706 6.910 50 0 KKAAMN COc1c(Br)cc(Br)cc1[C@@H]1Nc2sc3c(c2C(=O)N1)CCN(C(C)C)C3 ZINC000015946334 553544379 /nfs/dbraw/zinc/54/43/79/553544379.db2.gz NERGRJNUWKEOSJ-KRWDZBQOSA-N 0 1 515.271 5.477 50 0 KKAAMN COc1ccc(C(=O)Oc2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CCN(C(C)C)C5)cc2OC)cc1 ZINC000015947096 553545039 /nfs/dbraw/zinc/54/50/39/553545039.db2.gz AFDMQGTZOXGBRP-XMMPIXPASA-N 0 1 507.612 5.180 50 0 KKAAMN CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)ccc1OC(=O)c1ccc(C)cc1 ZINC000015947040 553545172 /nfs/dbraw/zinc/54/51/72/553545172.db2.gz KTCWACBAAIPOFX-VWLOTQADSA-N 0 1 505.640 5.870 50 0 KKAAMN CC(=O)[C@@H]1C(=C(O)c2ccccc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N12 ZINC000016000203 553549681 /nfs/dbraw/zinc/54/96/81/553549681.db2.gz RXRRNGSZPYTQOJ-XVOBZGQLSA-N 0 1 503.385 5.556 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000016001139 553549934 /nfs/dbraw/zinc/54/99/34/553549934.db2.gz APQGGCINDKCRQR-QAZWXMQQSA-N 0 1 525.048 6.237 50 0 KKAAMN CC(=O)[C@@H]1[C@H](C(=O)c2ccc(CC(C)C)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N21 ZINC000016033719 553551722 /nfs/dbraw/zinc/55/17/22/553551722.db2.gz PMAFBANPUHTOCE-FQNXFSSYSA-N 0 1 525.048 6.101 50 0 KKAAMN COc1ccc(CCN2C(=O)c3n[nH]c(-c4c(C)cc(C)cc4O)c3[C@H]2c2ccccc2F)cc1OC ZINC000016753405 553580918 /nfs/dbraw/zinc/58/09/18/553580918.db2.gz NBLQYBOACCJRHP-MUUNZHRXSA-N 0 1 501.558 5.343 50 0 KKAAMN Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000017576547 553597898 /nfs/dbraw/zinc/59/78/98/553597898.db2.gz ABZPZZXSHCGVQI-WIOPSUGQSA-N 0 1 529.584 5.263 50 0 KKAAMN COc1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4C)c(O)c3ON2c2ccccc2)cc1Br ZINC000017723784 553599288 /nfs/dbraw/zinc/59/92/88/553599288.db2.gz VOGICXLSCLNYCX-SMIHKQSGSA-N 0 1 507.384 5.126 50 0 KKAAMN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000018010932 553601503 /nfs/dbraw/zinc/60/15/03/553601503.db2.gz WSGXYDUGBGMQTN-IARZGTGTSA-N 0 1 500.595 5.624 50 0 KKAAMN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000017994417 553601530 /nfs/dbraw/zinc/60/15/30/553601530.db2.gz BOFLRWNUAIVPMS-FCEKVYKBSA-N 0 1 500.595 5.624 50 0 KKAAMN O=C(Nc1ccccc1)[C@H]1[C@@H](C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000070672742 553602753 /nfs/dbraw/zinc/60/27/53/553602753.db2.gz VPSLASCOTOGLRD-VGBJTSDXSA-N 0 1 511.581 5.299 50 0 biogenic KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000018101412 553604452 /nfs/dbraw/zinc/60/44/52/553604452.db2.gz ACMGXGJEOXNCQB-VJGNERBWSA-N 0 1 521.013 5.969 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3cccc(OC)c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=Cc4ccccc4N32)c1 ZINC000070687774 553607520 /nfs/dbraw/zinc/60/75/20/553607520.db2.gz QFCRDRIZLIPPSP-ZXFZPVEDSA-N 0 1 556.618 5.560 50 0 biogenic KKAAMN COc1ccc(C(O)=C2[C@@H](C(=O)c3cccc(OC)c3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000070687911 553607815 /nfs/dbraw/zinc/60/78/15/553607815.db2.gz RZCCVEZFKPYESN-ZXFZPVEDSA-N 0 1 556.618 5.560 50 0 biogenic KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(OC)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000018213163 553610758 /nfs/dbraw/zinc/61/07/58/553610758.db2.gz SGYNSRYDTADTRE-IARZGTGTSA-N 0 1 516.594 5.324 50 0 KKAAMN CCCCOc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(OC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OCC ZINC000018213163 553610759 /nfs/dbraw/zinc/61/07/59/553610759.db2.gz SGYNSRYDTADTRE-IARZGTGTSA-N 0 1 516.594 5.324 50 0 KKAAMN COc1ccc([C@@H](c2sc3ncnn3c2[O-])N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019367644 553614222 /nfs/dbraw/zinc/61/42/22/553614222.db2.gz AHPGBZRMTRLYFE-SANMLTNESA-N 0 1 511.651 5.002 50 0 KKAAMN Cc1ccc(Cl)cc1Nc1nc(N)nc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000020466784 553657047 /nfs/dbraw/zinc/65/70/47/553657047.db2.gz PBXBKCDXVRCTOL-UHFFFAOYSA-N 0 1 500.050 5.066 50 0 KKAAMN Cc1nc2sc([C@H](c3ccc(C)cc3)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c([O-])n2n1 ZINC000022852757 553761492 /nfs/dbraw/zinc/76/14/92/553761492.db2.gz ZVKWTZAEPOMTJJ-MHZLTWQESA-N 0 1 509.679 5.610 50 0 KKAAMN O=S(=O)(NC[C@@H](c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000022864439 553763144 /nfs/dbraw/zinc/76/31/44/553763144.db2.gz UPRHHAKSNYNSRQ-PMERELPUSA-N 0 1 546.136 5.767 50 0 KKAAMN CC(C)CCc1ccc(OCCCCNC(=O)c2cc(Sc3nnnn3-c3ccccc3)c3ccccc3c2O)c(CCC(C)C)c1 ZINC000097940206 553763807 /nfs/dbraw/zinc/76/38/07/553763807.db2.gz VMZPULKFOFUFON-UHFFFAOYSA-N 0 1 651.877 8.439 50 0 KKAAMN O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)N1OC[C@H]2COc3ccc4ccccc4c3[C@H]21 ZINC000022873020 553766181 /nfs/dbraw/zinc/76/61/81/553766181.db2.gz GYKYPNVEZQFHKU-SYBRLPANSA-N 0 1 519.645 5.071 50 0 KKAAMN Cc1ccc(-c2ccc(OC[C@@H](O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c(C)c2)cc1 ZINC000022926814 553767335 /nfs/dbraw/zinc/76/73/35/553767335.db2.gz FBIBNJBKJMGGMY-YTTGMZPUSA-N 0 1 506.690 6.117 50 0 KKAAMN Cc1cc2occ(CN(C)CCN(C)Cc3cn(-c4cccc(C(F)(F)F)c4)c4ccccc34)c(=O)c2cc1C ZINC000022940634 553768442 /nfs/dbraw/zinc/76/84/42/553768442.db2.gz JZNXLPPJRFFECJ-UHFFFAOYSA-N 0 1 547.621 6.936 50 0 in-vitro KKAAMN CC(C)N1CCc2c(sc(NC(=O)CN3C(=O)c4ccccc4C3=O)c2-c2nc3ccccc3s2)C1 ZINC000023153879 553771054 /nfs/dbraw/zinc/77/10/54/553771054.db2.gz MKPBFKXOEKLLEV-UHFFFAOYSA-N 0 1 516.648 5.026 50 0 KKAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1 ZINC000097945753 553774608 /nfs/dbraw/zinc/77/46/08/553774608.db2.gz MSQOLPFFEUFHQP-UHFFFAOYSA-N 0 1 536.072 5.473 50 0 KKAAMN O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000025164578 553804066 /nfs/dbraw/zinc/80/40/66/553804066.db2.gz XOGIJGQCRGFERW-UHFFFAOYSA-N 0 1 507.637 7.849 50 0 KKAAMN Oc1c2c(c(O)n1-c1ccc(Br)cc1)[C@@H](c1cc3ccccc3nc1Cl)N(c1ccccc1)O2 ZINC000097953122 553819488 /nfs/dbraw/zinc/81/94/88/553819488.db2.gz KQNQGMTYKQPGDF-DNVJHFABSA-N 0 1 534.797 5.702 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccccc5OC)nc4c32)cc1OC ZINC000097954078 553821298 /nfs/dbraw/zinc/82/12/98/553821298.db2.gz FWCHNWJMZHZLMT-SANMLTNESA-N 0 1 546.587 5.597 50 0 KKAAMN COc1ccc(Cc2nc3c4c(ncn3n2)Oc2c(c(C)nn2-c2ccccc2)C4c2ccc(OC)cc2)cc1 ZINC000097954274 553822543 /nfs/dbraw/zinc/82/25/43/553822543.db2.gz RUOJCXJHWHOFKG-HHHXNRCGSA-N 0 1 530.588 5.512 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5cccc(C)c5)nc4c32)cc1OC ZINC000097954649 553824386 /nfs/dbraw/zinc/82/43/86/553824386.db2.gz OGKMPFNSICZTPR-AREMUKBSSA-N 0 1 530.588 5.897 50 0 KKAAMN COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5cccc6ccccc65)nc4c32)cc1 ZINC000097954771 553825364 /nfs/dbraw/zinc/82/53/64/553825364.db2.gz FQEMFYXOKFRFFU-MUUNZHRXSA-N 0 1 536.595 6.733 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccc(C)cc5)nc4c32)cc1OC ZINC000097954807 553825718 /nfs/dbraw/zinc/82/57/18/553825718.db2.gz PHDWBEZRBZPMDX-SANMLTNESA-N 0 1 530.588 5.897 50 0 KKAAMN COc1ccc(C[C@]2(CNc3ccc(Br)cc3)C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OC ZINC000097955871 553834746 /nfs/dbraw/zinc/83/47/46/553834746.db2.gz JXSAJOOZBISNPV-SANMLTNESA-N 0 1 538.398 5.231 50 0 KKAAMN COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1Cl ZINC000027987544 553836709 /nfs/dbraw/zinc/83/67/09/553836709.db2.gz FIWSJIQMSKKOSG-UHFFFAOYSA-N 0 1 507.329 6.887 50 0 KKAAMN COc1ccc(C2c3c(C)nn(-c4cccc(Cl)c4)c3Oc3ncn4nc(-c5ccccc5O)nc4c32)cc1 ZINC000097956597 553840064 /nfs/dbraw/zinc/84/00/64/553840064.db2.gz VFMZBGMKWWNAAI-XMMPIXPASA-N 0 1 536.979 5.939 50 0 KKAAMN COc1ccccc1C1c2c(C)nn(-c3ccc(Cl)cc3)c2Oc2ncn3nc(-c4cccnc4)nc3c21 ZINC000097956599 553840113 /nfs/dbraw/zinc/84/01/13/553840113.db2.gz MSVCJGKOZLELQO-HSZRJFAPSA-N 0 1 521.968 5.628 50 0 KKAAMN COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(-c5ccc6ccccc6n5)nc4c32)cc1 ZINC000097957190 553845164 /nfs/dbraw/zinc/84/51/64/553845164.db2.gz AHJODCUPHIZONR-HHHXNRCGSA-N 0 1 537.583 6.128 50 0 KKAAMN O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4ccc(Br)o4)cc3[nH]2)cc1)c1ccc(Br)o1 ZINC000029747624 553848231 /nfs/dbraw/zinc/84/82/31/553848231.db2.gz YEOKLRBWHJIKFM-UHFFFAOYSA-N 0 1 570.197 6.446 50 0 KKAAMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 ZINC000029748501 553849792 /nfs/dbraw/zinc/84/97/92/553849792.db2.gz YCOWBPNEBIJAGM-WJOKGBTCSA-N 0 1 587.723 5.831 50 0 KKAAMN O=C(Cc1ccccc1)Nc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccc(NC(=O)Cc6ccccc6)cc5)cc4[nH]3)cc2)cc1 ZINC000097959374 553863332 /nfs/dbraw/zinc/86/33/32/553863332.db2.gz TYTXSCZFWKGTEP-UHFFFAOYSA-N 0 1 698.783 8.097 50 0 KKAAMN COc1cccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4cc(Br)cc(Cl)c4O)c(=O)n32)c1 ZINC000097962678 553884906 /nfs/dbraw/zinc/88/49/06/553884906.db2.gz DTJUCQDJONUGRY-RWTNITNYSA-N 0 1 610.917 5.004 50 0 KKAAMN CC(C)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963436 553890012 /nfs/dbraw/zinc/89/00/12/553890012.db2.gz FPWKIRFPALSLQV-UHFFFAOYSA-N 0 1 628.845 7.185 50 0 KKAAMN O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000033355699 553936354 /nfs/dbraw/zinc/93/63/54/553936354.db2.gz COUHLFJHQDMRMA-IHLOFXLRSA-N 0 1 560.739 5.439 50 0 KKAAMN O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O ZINC000033356444 553941762 /nfs/dbraw/zinc/94/17/62/553941762.db2.gz LNYRLMONKPBUJK-UHFFFAOYSA-N 0 1 663.627 5.929 50 0 KKAAMN COc1ccc([C@H]2[C@H](C(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000033356775 553944468 /nfs/dbraw/zinc/94/44/68/553944468.db2.gz KWSJJVDGRSPSGS-BHYZAODMSA-N 0 1 591.152 5.170 50 0 KKAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2ccc3c(c2)OCO3)cc1Cl ZINC000033358424 553955524 /nfs/dbraw/zinc/95/55/24/553955524.db2.gz VROHMVOQHDRJRG-YADHBBJMSA-N 0 1 598.653 6.743 50 0 KKAAMN O=C1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@H](c2cccc(F)c2)N1c1ccc(Br)cc1 ZINC000033358478 553956158 /nfs/dbraw/zinc/95/61/58/553956158.db2.gz BABSFDQTNWYKKH-VQTJNVASSA-N 0 1 603.058 6.955 50 0 KKAAMN CC1=NN(c2ccc(C)cc2)C(=O)[C@]12Cc1cc(C(F)(F)F)ccc1N1CCN(Cc3ccccc3)C[C@@H]12 ZINC000033429006 553959836 /nfs/dbraw/zinc/95/98/36/553959836.db2.gz DCDZBOZBYSWDEO-XRKRLSELSA-N 0 1 518.583 5.670 50 0 KKAAMN CN1CC2=C(N=C3SC=C(c4ccc5c(c4)OCCO5)N3[C@@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000033605795 553964135 /nfs/dbraw/zinc/96/41/35/553964135.db2.gz AEAVFOUDTJGFPC-UJQDQAMGSA-N 0 1 505.643 6.199 50 0 KKAAMN O=[S@@](c1ccc(Br)cc1)C1=CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000097973092 553968340 /nfs/dbraw/zinc/96/83/40/553968340.db2.gz VZJRWPXCSPXDLK-MGBGTMOVSA-N 0 1 530.478 7.037 50 0 KKAAMN O=C(Nc1ccc(N2CCCN(Cc3ccccc3C(F)(F)F)CC2)nc1)c1cccc(C(F)(F)F)c1 ZINC000034681777 553985174 /nfs/dbraw/zinc/98/51/74/553985174.db2.gz YRHVSPMWNLZAFK-UHFFFAOYSA-N 0 1 522.493 6.084 50 0 KKAAMN O=S(=O)(Nc1ccc(Br)cc1)c1cc(NC(=S)Nc2cccc(C(F)(F)F)c2)ccc1Cl ZINC000097981369 553993540 /nfs/dbraw/zinc/99/35/40/553993540.db2.gz FVAVEQJMXFTFSW-UHFFFAOYSA-N 0 1 564.836 6.731 50 0 KKAAMN Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CCN2CCCCC2)C(=O)Nc2ccccc2C)s1 ZINC000034719482 553996207 /nfs/dbraw/zinc/99/62/07/553996207.db2.gz YMYAFYIABAAVTP-UHFFFAOYSA-N 0 1 536.717 6.053 50 0 KKAAMN Cc1ccc(N2CCCN(Cc3ccc(Cl)cc3)C2=O)c(NS(=O)(=O)c2ccc(C)c(F)c2)c1 ZINC000034737828 553998410 /nfs/dbraw/zinc/99/84/10/553998410.db2.gz MGNHOOAWAMYLCS-UHFFFAOYSA-N 0 1 502.011 5.729 50 0 KKAAMN Cc1ccc(N2CCCN(Cc3ccc(C(C)C)cc3)C2=O)c(NS(=O)(=O)c2cccc(Cl)c2)c1 ZINC000034737793 553998435 /nfs/dbraw/zinc/99/84/35/553998435.db2.gz WMWOIHUNWZKXGS-UHFFFAOYSA-N 0 1 512.075 6.405 50 0 KKAAMN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000097982914 554006052 /nfs/dbraw/zinc/00/60/52/554006052.db2.gz WZRJPNKRMXKBHC-UHFFFAOYSA-N 0 1 560.072 5.027 50 0 KKAAMN Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2C)cc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC000097982923 554006610 /nfs/dbraw/zinc/00/66/10/554006610.db2.gz RNSPHDUPVKLREC-UHFFFAOYSA-N 0 1 588.082 5.950 50 0 KKAAMN CCCC[C@H](CC)C(=O)N1CCN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@H]1C ZINC000034830541 554016110 /nfs/dbraw/zinc/01/61/10/554016110.db2.gz KVPAGDBGALSPGE-WENCSYSZSA-N 0 1 513.723 5.501 50 0 KKAAMN CCc1ccc(C(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000034830555 554016556 /nfs/dbraw/zinc/01/65/56/554016556.db2.gz YGVLIVLQCUTCGO-PBBNMVCDSA-N 0 1 519.686 5.160 50 0 KKAAMN CCN1CCN(c2c(CN(CCC(C)C)C(=O)Nc3ccc(Cl)cc3)c(C)nn2-c2ccccc2)CC1 ZINC000034832201 554017925 /nfs/dbraw/zinc/01/79/25/554017925.db2.gz HTZOXJNARSJCAY-UHFFFAOYSA-N 0 1 523.125 6.056 50 0 KKAAMN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Oc3ccc4ccccc4c3Cl)c(Cl)c2)cc1 ZINC000097999680 554044937 /nfs/dbraw/zinc/04/49/37/554044937.db2.gz CTBRGHGEHWCRIC-UHFFFAOYSA-N 0 1 611.934 8.954 50 0 KKAAMN CCOC(=O)c1sc(NC(=O)c2cc(Br)ccc2NS(=O)(=O)c2ccc(Cl)cc2)c(C(=O)OCC)c1C ZINC000097999879 554046534 /nfs/dbraw/zinc/04/65/34/554046534.db2.gz RKFAAPPXEQRYQA-UHFFFAOYSA-N 0 1 629.938 5.879 50 0 KKAAMN CCN1CCC2(CC1)N=C(SCC(=O)Nc1ccc(C)cc1C)C(c1ccc(Br)cc1)=N2 ZINC000035397207 554047906 /nfs/dbraw/zinc/04/79/06/554047906.db2.gz QUXCFYKHRSWOLF-UHFFFAOYSA-N 0 1 513.505 5.451 50 0 KKAAMN O=C(c1ccc(-c2nc(-c3cccc(O)c3)[nH]c2-c2ccccc2)cc1)c1ccc(-c2[nH]c(-c3cccc(O)c3)nc2-c2ccccc2)cc1 ZINC000098002676 554053877 /nfs/dbraw/zinc/05/38/77/554053877.db2.gz PKZBGXHDCDLNBI-UHFFFAOYSA-N 0 1 650.738 9.777 50 0 KKAAMN O=C(c1ccc(-c2nc(-c3cccc(O)c3)[nH]c2-c2ccccc2)cc1)c1ccc(-c2nc(-c3cccc(O)c3)[nH]c2-c2ccccc2)cc1 ZINC000098002676 554053881 /nfs/dbraw/zinc/05/38/81/554053881.db2.gz PKZBGXHDCDLNBI-UHFFFAOYSA-N 0 1 650.738 9.777 50 0 KKAAMN Cc1ccccc1Cc1[nH]n(-c2ccccc2C)c(=O)c1C=C1NC(=O)N(Cc2ccc(F)c(F)c2)C1=O ZINC000035829509 554079652 /nfs/dbraw/zinc/07/96/52/554079652.db2.gz XBOAVCIMDKDNRP-MYYYXRDXSA-N 0 1 514.532 5.157 50 0 KKAAMN CCC[C@@H](O)CN(CCCOC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1 ZINC000035842606 554081302 /nfs/dbraw/zinc/08/13/02/554081302.db2.gz ZREJQSMTMUFYPT-MUUNZHRXSA-N 0 1 521.746 5.536 50 0 KKAAMN O=C(NCc1ccccc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@H]12 ZINC000035871395 554085802 /nfs/dbraw/zinc/08/58/02/554085802.db2.gz GIMKUDMQJZCYDI-AZGAKELHSA-N 0 1 513.991 5.538 50 0 KKAAMN O=C(NCc1ccco1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@H]12 ZINC000035871393 554085852 /nfs/dbraw/zinc/08/58/52/554085852.db2.gz PSYPOUXRHNSNTM-LADGPHEKSA-N 0 1 503.952 5.131 50 0 KKAAMN COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CCN2CCCCC2)C(=O)Nc2ccccc2C)cc1OC ZINC000098019706 554114191 /nfs/dbraw/zinc/11/41/91/554114191.db2.gz BWJRYMZEJCOLTH-UHFFFAOYSA-N 0 1 576.738 5.505 50 0 KKAAMN COc1cccc(CN(CC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccc(Cl)c(Cl)c2)C(C)C)c1 ZINC000098021299 554117720 /nfs/dbraw/zinc/11/77/20/554117720.db2.gz LSOQDTAJVMQASE-UHFFFAOYSA-N 0 1 538.519 6.965 50 0 KKAAMN Cc1nc(SCc2cccc(C(=O)NCC(C)C)c2)nc(N2CCN(Cc3ccccc3)CC2)c1C ZINC000036062984 554162281 /nfs/dbraw/zinc/16/22/81/554162281.db2.gz ROQPFHIFDVRDRO-UHFFFAOYSA-N 0 1 503.716 5.094 50 0 KKAAMN CC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cn4c(=O)c5cc(Br)ccc5[nH]c4=S)cc3)CC2)cc1 ZINC000098049373 554165413 /nfs/dbraw/zinc/16/54/13/554165413.db2.gz LLUAJUSZKFNTFZ-UHFFFAOYSA-N 0 1 577.504 5.035 50 0 KKAAMN COc1ccc(OC)c([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(Br)cc2)c1 ZINC000098049890 554169831 /nfs/dbraw/zinc/16/98/31/554169831.db2.gz DZFZCMMXFVROTD-VXKWHMMOSA-N 0 1 645.120 6.833 50 0 KKAAMN COc1ccc(OC)c([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(Cl)c2)c1 ZINC000098049919 554170256 /nfs/dbraw/zinc/17/02/56/554170256.db2.gz SBYXZCIDVINVDT-DHIUTWEWSA-N 0 1 614.696 7.032 50 0 KKAAMN COc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(C)c2)cc1Br ZINC000098049964 554170749 /nfs/dbraw/zinc/17/07/49/554170749.db2.gz TURSNAHHBDFBJS-XZOQPEGZSA-N 0 1 643.148 7.441 50 0 KKAAMN CCOc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(OCC)cc2)cc1 ZINC000098050087 554172051 /nfs/dbraw/zinc/17/20/51/554172051.db2.gz BDEVOVHLCFTUFP-RPWUZVMVSA-N 0 1 594.278 6.850 50 0 KKAAMN COc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2cc(OC)ccc2OC)cc1 ZINC000098050094 554172062 /nfs/dbraw/zinc/17/20/62/554172062.db2.gz DLGUBAAHGFATMM-XZOQPEGZSA-N 0 1 596.250 6.079 50 0 KKAAMN O=C1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@H](c2cccs2)N1c1ccc(Cl)cc1 ZINC000098050143 554172295 /nfs/dbraw/zinc/17/22/95/554172295.db2.gz AKVASPZVXGNXLB-ZWKOTPCHSA-N 0 1 546.646 6.768 50 0 KKAAMN Cc1cccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2cccs2)c1 ZINC000098050144 554172603 /nfs/dbraw/zinc/17/26/03/554172603.db2.gz SPZWIOQPIDECSC-MOPGFXCFSA-N 0 1 526.228 6.423 50 0 KKAAMN O[C@@H](COCc1ccccc1)CN(Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146366 554198211 /nfs/dbraw/zinc/19/82/11/554198211.db2.gz JTVUCQXNNMSOLD-RPWUZVMVSA-N 0 1 517.428 5.705 50 0 KKAAMN COCCCN(Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1ccc(C)s1 ZINC000036154590 554198444 /nfs/dbraw/zinc/19/84/44/554198444.db2.gz KSNCHMQKOINYLM-UHFFFAOYSA-N 0 1 521.679 5.990 50 0 KKAAMN COCCCN(Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1cccs1 ZINC000036154654 554198502 /nfs/dbraw/zinc/19/85/02/554198502.db2.gz WQMFFHUZJREANE-UHFFFAOYSA-N 0 1 507.652 5.681 50 0 KKAAMN CCCCOC[C@@H](O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000036313980 554219362 /nfs/dbraw/zinc/21/93/62/554219362.db2.gz AYIYLRIOAIWQDC-AHWVRZQESA-N 0 1 511.638 5.177 50 0 KKAAMN COc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000036341192 554220486 /nfs/dbraw/zinc/22/04/86/554220486.db2.gz ZGCHHNAJJLYJJU-LJAQVGFWSA-N 0 1 502.058 5.981 50 0 KKAAMN O=C(CN1CCC(Cc2ccccc2)CC1)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000036341808 554221196 /nfs/dbraw/zinc/22/11/96/554221196.db2.gz OXYNZKZHBUNJBH-HHHXNRCGSA-N 0 1 516.041 5.701 50 0 KKAAMN COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)CN2CCC(Cc3ccccc3)CC2)c(OC)c1 ZINC000036343393 554221900 /nfs/dbraw/zinc/22/19/00/554221900.db2.gz BSSHVTWCHBDTGL-PMERELPUSA-N 0 1 511.666 5.645 50 0 KKAAMN COc1ccc(C2=NN(C(=O)CN3CCC(Cc4ccccc4)CC3)[C@@H](c3ccc(C)cc3)C2)cc1OC ZINC000036343474 554221948 /nfs/dbraw/zinc/22/19/48/554221948.db2.gz LOFWGFDCUDCCPC-GDLZYMKVSA-N 0 1 511.666 5.645 50 0 KKAAMN Cc1ccc(C)c(C2=NN(C(=O)CN3CCC(Cc4ccccc4)CC3)[C@H](c3ccccc3Cl)C2)c1 ZINC000036343890 554222435 /nfs/dbraw/zinc/22/24/35/554222435.db2.gz UBBAEMGLZZFNSS-PMERELPUSA-N 0 1 500.086 6.589 50 0 KKAAMN COC(=O)c1ccccc1Sc1ccc(OCCCN2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000045068662 554311045 /nfs/dbraw/zinc/31/10/45/554311045.db2.gz QZUSAMPVQNITBW-UHFFFAOYSA-N 0 1 511.087 5.865 50 0 KKAAMN CSCC[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccccc3)C2=O)[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]21 ZINC000053253652 554330439 /nfs/dbraw/zinc/33/04/39/554330439.db2.gz XISMLAMAWBDSCB-WZLDLOKOSA-N 0 1 547.680 5.113 50 0 KKAAMN O=C(NCCN1CCCCCC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000053371842 554348131 /nfs/dbraw/zinc/34/81/31/554348131.db2.gz DKWRLBHQKYFJQS-DIPNUNPCSA-N 0 1 536.097 5.273 50 0 KKAAMN Cc1nn2c(nc(C(C)(C)C)cc2N2CCN(CCOc3cccc4ccccc43)CC2)c1-c1ccccc1 ZINC000054274601 554349098 /nfs/dbraw/zinc/34/90/98/554349098.db2.gz OLCXEOADVFLFGM-UHFFFAOYSA-N 0 1 519.693 6.356 50 0 KKAAMN Cc1nn2c(nc(C)cc2N2CCN(CCOc3cccc4ccccc43)CC2)c1-c1ccc(Cl)cc1 ZINC000054274624 554349227 /nfs/dbraw/zinc/34/92/27/554349227.db2.gz HAHVCBFPDRUVIL-UHFFFAOYSA-N 0 1 512.057 6.021 50 0 KKAAMN CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cc3ccccc3cc2OC)c1 ZINC000057222932 554353147 /nfs/dbraw/zinc/35/31/47/554353147.db2.gz HQVQSVKDPLJBKZ-UHFFFAOYSA-N 0 1 523.633 5.600 50 0 KKAAMN COc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=S)Nc2ccccc2)cc1OC ZINC000100425053 554386354 /nfs/dbraw/zinc/38/63/54/554386354.db2.gz CSZPMHZQCDUIEW-NDEPHWFRSA-N 0 1 513.663 7.367 50 0 KKAAMN COc1ccc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)cc1OC ZINC000100425645 554387058 /nfs/dbraw/zinc/38/70/58/554387058.db2.gz FVJKDAFAUQNRTJ-WINIVTDRSA-N 0 1 522.523 6.816 50 0 KKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C)cc3)C2)[C@H]1c1cccc(Br)c1 ZINC000100426063 554387356 /nfs/dbraw/zinc/38/73/56/554387356.db2.gz FWTDSECUVYLWPJ-ONOMSOESSA-N 0 1 515.451 7.718 50 0 KKAAMN COc1ccc([C@H]2C3=C(C[C@H](c4ccc(C(C)(C)C)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1OC ZINC000100426103 554387681 /nfs/dbraw/zinc/38/76/81/554387681.db2.gz OCESVFKIFMZAST-WMELESEDSA-N 0 1 586.732 8.865 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(Cl)cc1 ZINC000100426220 554387732 /nfs/dbraw/zinc/38/77/32/554387732.db2.gz SFFSCYPFHDITEB-JPQMRUPTSA-N 0 1 529.080 8.479 50 0 KKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@H]3c2cccc(Cl)c2)cc1OC ZINC000100426536 554388267 /nfs/dbraw/zinc/38/82/67/554388267.db2.gz XGJKQYUGMNVCPM-WRONEBCDSA-N 0 1 502.998 6.927 50 0 KKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000100426433 554388296 /nfs/dbraw/zinc/38/82/96/554388296.db2.gz VXFRQHDYBRQTLH-PLTNMMHCSA-N 0 1 558.631 6.300 50 0 biogenic KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(Cl)c1 ZINC000100426557 554388309 /nfs/dbraw/zinc/38/83/09/554388309.db2.gz AUMDEPMWHHJMNO-PVAZPRTOSA-N 0 1 559.106 8.488 50 0 KKAAMN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@@H]3c2cccc(Cl)c2)cc1OC ZINC000100426547 554388435 /nfs/dbraw/zinc/38/84/35/554388435.db2.gz XGJKQYUGMNVCPM-ACSYHNTCSA-N 0 1 502.998 6.927 50 0 KKAAMN O=C(N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cccc(Cl)c1)C(F)(F)F ZINC000100426835 554389015 /nfs/dbraw/zinc/38/90/15/554389015.db2.gz HOSLRBUSDSJILQ-NSYGIPOTSA-N 0 1 531.361 8.106 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccs1 ZINC000100426989 554389098 /nfs/dbraw/zinc/38/90/98/554389098.db2.gz PRJWXSXABUUHRX-BGOLNKOXSA-N 0 1 530.690 7.896 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccs1 ZINC000100426994 554389186 /nfs/dbraw/zinc/38/91/86/554389186.db2.gz PRJWXSXABUUHRX-JCOAXYOVSA-N 0 1 530.690 7.896 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(F)cc1 ZINC000100427003 554389479 /nfs/dbraw/zinc/38/94/79/554389479.db2.gz XWCCDTUDGOVXJH-NHRFMIRVSA-N 0 1 542.651 7.973 50 0 KKAAMN COc1ccc([C@H]2CC(=O)C3C(=Nc4ccc(C)cc4N(C(=O)c4ccccc4)[C@@H]3c3cccs3)C2)cc1 ZINC000100427083 554389514 /nfs/dbraw/zinc/38/95/14/554389514.db2.gz AVKCOSGZKRRSDZ-SLGOVJDISA-N 0 1 520.654 7.929 50 0 KKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N(C(=O)c2ccccc2)[C@H]3c2ccc(F)cc2)cc1 ZINC000100427172 554389542 /nfs/dbraw/zinc/38/95/42/554389542.db2.gz BGJHSRMPWFGFNK-JQJBXXCASA-N 0 1 532.615 8.007 50 0 KKAAMN COc1ccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1OC ZINC000100429639 554390955 /nfs/dbraw/zinc/39/09/55/554390955.db2.gz BYARULXIBFHDEY-JPZYQRIQSA-N 0 1 520.585 7.161 50 0 KKAAMN COc1cc([C@H]2c3c(n[nH]c3-c3cc(C)c(C)cc3O)C(=O)N2Cc2ccco2)cc(Br)c1O ZINC000059626793 554415168 /nfs/dbraw/zinc/41/51/68/554415168.db2.gz BKITZIYPFPTEQF-QHCPKHFHSA-N 0 1 524.371 5.214 50 0 KKAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2ccc3c(c2)OCO3)cc1F ZINC000100578142 554424323 /nfs/dbraw/zinc/42/43/23/554424323.db2.gz QDFVZXHLNMUFOH-FGZHOGPDSA-N 0 1 582.198 6.229 50 0 KKAAMN O=C1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@H](c2ccc(F)cc2)N1c1cc(Cl)cc(Cl)c1 ZINC000100582833 554425280 /nfs/dbraw/zinc/42/52/80/554425280.db2.gz HFNQXHHBUZYJMT-VQTJNVASSA-N 0 1 593.052 7.499 50 0 KKAAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000100582650 554425428 /nfs/dbraw/zinc/42/54/28/554425428.db2.gz AQSFKUQUMJYYFZ-NHCUHLMSSA-N 0 1 572.634 7.154 50 0 KKAAMN O=C1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)[C@H](c2cccc(F)c2)N1c1ccc(Cl)c(Cl)c1 ZINC000100585888 554426455 /nfs/dbraw/zinc/42/64/55/554426455.db2.gz BCNITSJOQAHEJF-PMACEKPBSA-N 0 1 593.052 7.499 50 0 KKAAMN COc1ccc([C@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(F)cc2)cc1OC ZINC000100586057 554426678 /nfs/dbraw/zinc/42/66/78/554426678.db2.gz OTRAZMACFDGYAP-VXKWHMMOSA-N 0 1 584.214 6.209 50 0 KKAAMN COc1ccc([C@@H]2C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)C(=O)N2c2ccc(C)c(F)c2)cc1OC ZINC000100585997 554426742 /nfs/dbraw/zinc/42/67/42/554426742.db2.gz AXHRWUZOZXMFDG-DHIUTWEWSA-N 0 1 598.241 6.518 50 0 KKAAMN CCc1ccc2c(c1)[C@]1(C(=O)N2)N2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@]12c1ccccc1NC2=O ZINC000059785691 554430222 /nfs/dbraw/zinc/43/02/22/554430222.db2.gz DEXFPUZLJYSAEO-XOLWELMFSA-N 0 1 527.624 5.417 50 0 KKAAMN COc1ccc(C(=O)C(C(=O)c2ccc(OC)cc2)C(C(=O)c2ccc(OC)cc2)C(=O)c2ccc(OC)cc2)cc1 ZINC000100698243 554451382 /nfs/dbraw/zinc/45/13/82/554451382.db2.gz FJHNOZQOSCEGNB-UHFFFAOYSA-N 0 1 566.606 5.785 50 0 KKAAMN CC(C)N1CCc2c(sc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)c2-c2nc3ccccc3s2)C1 ZINC000100818172 554478490 /nfs/dbraw/zinc/47/84/90/554478490.db2.gz NCXPMSNZSQSIEB-UHFFFAOYSA-N 0 1 530.675 5.697 50 0 KKAAMN O=C(Nc1ccccc1)[C@H]1[C@@H](C(=O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000100858432 554494009 /nfs/dbraw/zinc/49/40/09/554494009.db2.gz NDHJEWNVIZTEAB-VGBJTSDXSA-N 0 1 529.571 5.438 50 0 KKAAMN Cc1ncc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1 ZINC000068244727 554538335 /nfs/dbraw/zinc/53/83/35/554538335.db2.gz BJCJYEYYYGBROF-UHFFFAOYSA-N 0 1 562.600 5.004 50 0 investigational KKAAMN Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000100971627 554543832 /nfs/dbraw/zinc/54/38/32/554543832.db2.gz XHKZGNFWQBYGEM-UHFFFAOYSA-N 0 1 574.055 5.641 50 0 KKAAMN CCCCOc1cccc(NS(=O)(=O)c2cccc3c2cccc3S(=O)(=O)Nc2cccc(OCCCC)c2)c1 ZINC000100984814 554548223 /nfs/dbraw/zinc/54/82/23/554548223.db2.gz XODXVCMYQYXBTC-UHFFFAOYSA-N 0 1 582.744 6.799 50 0 KKAAMN Brc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2OC32CCN(Cc3ccccc3)CC2)cc1 ZINC000100991471 554550130 /nfs/dbraw/zinc/55/01/30/554550130.db2.gz QLGLGFFHBNOSHB-VWLOTQADSA-N 0 1 567.325 6.747 50 0 KKAAMN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C(=O)c2ccccc2)[C@H](c2c(C)[nH]n(-c3ccccc3)c2=O)c2ccc(Cl)cc2)cc1 ZINC000101025590 554563841 /nfs/dbraw/zinc/56/38/41/554563841.db2.gz OBMCOVIZKCECDR-CONSDPRKSA-N 0 1 629.138 5.860 50 0 KKAAMN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C(=O)c2ccccc2)[C@H](c2c(C)[nH]n(-c3ccccc3)c2=O)c2ccc(Cl)cc2)cc1 ZINC000101025598 554563890 /nfs/dbraw/zinc/56/38/90/554563890.db2.gz OBMCOVIZKCECDR-IOWSJCHKSA-N 0 1 629.138 5.860 50 0 KKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(Cl)ccc3N21 ZINC000101064292 554570967 /nfs/dbraw/zinc/57/09/67/554570967.db2.gz VLYVFFQCIYDANP-PAHOUZJPSA-N 0 1 547.836 5.665 50 0 KKAAMN Brc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2OC32CCN(Cc3ccccc3)CC2)s1 ZINC000101092067 554583049 /nfs/dbraw/zinc/58/30/49/554583049.db2.gz AIVPMULFOXYNJZ-OAQYLSRUSA-N 0 1 573.354 6.809 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(OCC)cc4)c(O)c3ON2c2ccccc2)cc1OC ZINC000101099079 554586007 /nfs/dbraw/zinc/58/60/07/554586007.db2.gz NVXWALLRGFWALS-FCEKVYKBSA-N 0 1 516.594 5.324 50 0 KKAAMN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OCC)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000101099079 554586009 /nfs/dbraw/zinc/58/60/09/554586009.db2.gz NVXWALLRGFWALS-FCEKVYKBSA-N 0 1 516.594 5.324 50 0 KKAAMN CCOc1cc([C@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1 ZINC000101100387 554587423 /nfs/dbraw/zinc/58/74/23/554587423.db2.gz QRJBMNROSUAROU-ZSQPVGNWSA-N 0 1 623.149 8.896 50 0 KKAAMN COc1cc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(=O)C(C)C)cc(OC)c1OC ZINC000101101754 554638843 /nfs/dbraw/zinc/63/88/43/554638843.db2.gz JUSAXSLDWAPAGZ-URAOTHONSA-N 0 1 526.633 6.919 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@H]1N2[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000101111781 554641948 /nfs/dbraw/zinc/64/19/48/554641948.db2.gz DUEVLRKFAWQZET-XAEBNIDXSA-N 0 1 504.630 5.974 50 0 KKAAMN COc1ccc(C(O)=C2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000101145611 554656095 /nfs/dbraw/zinc/65/60/95/554656095.db2.gz IDVJOBSJCSCVOI-ZXFZPVEDSA-N 0 1 540.619 5.941 50 0 KKAAMN CCCc1ccc(C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C(C)=C[C@@H]3[C@]23c2ccccc2NC3=O)cc1 ZINC000101146944 554656350 /nfs/dbraw/zinc/65/63/50/554656350.db2.gz UNARJIQHQMBRBX-WUPCUQSLSA-N 0 1 546.711 6.926 50 0 KKAAMN CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(=C(O)c1ccc(F)cc1)[C@]21C(=O)Nc2ccccc21 ZINC000101178960 554665778 /nfs/dbraw/zinc/66/57/78/554665778.db2.gz GKLRDEHHVUXRTM-QODLHPCFSA-N 0 1 534.612 6.133 50 0 KKAAMN Cc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)C(=C(O)c2ccccc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000101185776 554668959 /nfs/dbraw/zinc/66/89/59/554668959.db2.gz RPAOVPSORWAUDF-JVPIYLDOSA-N 0 1 525.048 6.237 50 0 KKAAMN COc1ccc(C(O)=C2[C@@H](C(=O)c3ccccc3F)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000101191434 554670533 /nfs/dbraw/zinc/67/05/33/554670533.db2.gz VWLYEPWPZOISMM-WFPUBZAHSA-N 0 1 544.582 5.690 50 0 KKAAMN COc1cc(C(=O)Nc2ccc3nc4c(c(Nc5ccccc5OC)c3c2)CCCC4)ccc1Br ZINC000101193379 554671372 /nfs/dbraw/zinc/67/13/72/554671372.db2.gz XFSCMPDLQKFEAA-UHFFFAOYSA-N 0 1 532.438 6.889 50 0 KKAAMN CC1=C[C@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1Cl)C(C(=O)c1ccco1)[C@]21C(=O)Nc2ccccc21 ZINC000101193947 554671487 /nfs/dbraw/zinc/67/14/87/554671487.db2.gz DLYNJURBUZENLF-QODLHPCFSA-N 0 1 534.999 6.179 50 0 KKAAMN O=C(c1ccco1)C1[C@@H](C(=O)c2ccccc2Cl)N2c3ccccc3C=C[C@@H]2[C@@]12C(=O)Nc1ccccc12 ZINC000101202396 554672935 /nfs/dbraw/zinc/67/29/35/554672935.db2.gz QOMVAARPVKCEBK-ANOKCIKSSA-N 0 1 520.972 5.789 50 0 KKAAMN Cc1ccc(C(O)=C2[C@@H](C(=O)c3ccccc3)N3c4ccc(C)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000101211639 554679463 /nfs/dbraw/zinc/67/94/63/554679463.db2.gz ZZWIRYBYBNQXSK-ZXFZPVEDSA-N 0 1 524.620 6.160 50 0 KKAAMN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCCN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000101216424 554683678 /nfs/dbraw/zinc/68/36/78/554683678.db2.gz DHHPFMFKSPMJQS-GDLZYMKVSA-N 0 1 624.182 5.421 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4cccc(F)c4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000101220372 554686351 /nfs/dbraw/zinc/68/63/51/554686351.db2.gz CMVWLEGROGMBLI-PFBJBMPXSA-N 0 1 504.558 5.454 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000101237433 554691954 /nfs/dbraw/zinc/69/19/54/554691954.db2.gz ACMGXGJEOXNCQB-PFBJBMPXSA-N 0 1 521.013 5.969 50 0 KKAAMN Cc1cc2c(c(Cl)c1)NC(=O)[C@]21C(=C(O)c2ccc(Cl)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCCN21 ZINC000101292379 554709207 /nfs/dbraw/zinc/70/92/07/554709207.db2.gz MMBSJHTVOOEBOL-JMBFNUQRSA-N 0 1 532.427 5.316 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccccc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000101342578 554735876 /nfs/dbraw/zinc/73/58/76/554735876.db2.gz IDVJOBSJCSCVOI-KVOHOPFUSA-N 0 1 540.619 5.941 50 0 KKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=C(C)c3cc(C)ccc3N21 ZINC000101361531 554743029 /nfs/dbraw/zinc/74/30/29/554743029.db2.gz QBGDQVKNLNEOMM-NSBPXKJOSA-N 0 1 541.445 5.710 50 0 KKAAMN COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)cc1 ZINC000101376992 554746619 /nfs/dbraw/zinc/74/66/19/554746619.db2.gz YLGZXTPHOVMDLA-DCFHFQCYSA-N 0 1 550.533 6.594 50 0 KKAAMN Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C=Cc2ccccc2)[C@H]3c2cccnc2)cc1 ZINC000101383407 554748809 /nfs/dbraw/zinc/74/88/09/554748809.db2.gz CPPNKGWJPYMOPK-QJJQMBRDSA-N 0 1 511.625 7.654 50 0 KKAAMN CCOc1ccc(-c2nc(SCC(=O)Nc3ccc4c(c3)OCO4)c(-c3ccc(OC)cc3)[nH]2)cc1OC ZINC000101384471 554749010 /nfs/dbraw/zinc/74/90/10/554749010.db2.gz AQRQJIOALFIJHO-UHFFFAOYSA-N 0 1 533.606 5.619 50 0 KKAAMN COC(=O)c1ccc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1 ZINC000101386539 554752406 /nfs/dbraw/zinc/75/24/06/554752406.db2.gz BNLXGGRSRUPKRW-YUDQIZAISA-N 0 1 518.569 6.930 50 0 KKAAMN CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4cc(Br)ccc4N4CCN(Cc5ccccc5)C[C@@H]43)C2=O)cc1 ZINC000101391633 554755188 /nfs/dbraw/zinc/75/51/88/554755188.db2.gz HMYBVOZWVICHGA-MVSFAKPFSA-N 0 1 587.518 5.282 50 0 KKAAMN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C(F)(F)F)[C@@H]3c2ccc(F)cc2)cc1 ZINC000101408814 554763175 /nfs/dbraw/zinc/76/31/75/554763175.db2.gz VILIAEGDIILJJZ-HFJWLAOPSA-N 0 1 510.487 6.947 50 0 KKAAMN COc1ccc(-c2cc3nc(C)c(CCC(=O)Nc4ccc5nc(-c6ccccc6)[nH]c5c4)c(C)n3n2)c(OC)c1 ZINC000101419369 554766925 /nfs/dbraw/zinc/76/69/25/554766925.db2.gz HYNPYQXSNFDBEC-UHFFFAOYSA-N 0 1 546.631 6.145 50 0 KKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000101428876 554769329 /nfs/dbraw/zinc/76/93/29/554769329.db2.gz ZKHYVCALIVDVKA-RCRUUEGKSA-N 0 1 510.590 6.442 50 0 KKAAMN COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccc(OC)c(OC)c4)CC3=O)Nc3ccccc3N2C(C)=O)cc1 ZINC000101443281 554773762 /nfs/dbraw/zinc/77/37/62/554773762.db2.gz OSZYHWAHVAQBIZ-YKGWIAGDSA-N 0 1 526.589 6.060 50 0 KKAAMN COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(=O)Cc2ccccc2)cc1 ZINC000101449073 554775146 /nfs/dbraw/zinc/77/51/46/554775146.db2.gz FWDZBYOKPURHBR-CVYDZTKKSA-N 0 1 556.662 7.574 50 0 KKAAMN CN(CCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@@]2=O)CCc1ccccc1 ZINC000101454828 554776725 /nfs/dbraw/zinc/77/67/25/554776725.db2.gz BFLMYEKQHOUWOL-RRHRGVEJSA-N 0 1 555.675 5.057 50 0 KKAAMN CN(CCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@]2=O)CCc1ccccc1 ZINC000101454831 554776748 /nfs/dbraw/zinc/77/67/48/554776748.db2.gz BFLMYEKQHOUWOL-FAIXQHPJSA-N 0 1 555.675 5.057 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000101462587 554779312 /nfs/dbraw/zinc/77/93/12/554779312.db2.gz BNMXIPLMYHEPFD-XDCSYDRFSA-N 0 1 538.707 9.254 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1ccc(F)cc1 ZINC000101462589 554779331 /nfs/dbraw/zinc/77/93/31/554779331.db2.gz BNMXIPLMYHEPFD-GZGVDWRWSA-N 0 1 538.707 9.254 50 0 KKAAMN O=C(Nc1ccc(Cl)c(Cl)c1)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccccc1F ZINC000101464286 554779842 /nfs/dbraw/zinc/77/98/42/554779842.db2.gz XUCFTVNOWHWDSQ-QJWGWKRISA-N 0 1 572.467 9.388 50 0 KKAAMN COC(=O)c1ccc([C@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2Cl)cc1 ZINC000101464515 554780138 /nfs/dbraw/zinc/78/01/38/554780138.db2.gz MUALQOHBUAMJPW-IANOAQMISA-N 0 1 593.079 7.999 50 0 KKAAMN CCOc1cc([C@@H]2C3=C(C[C@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1 ZINC000101477732 554782869 /nfs/dbraw/zinc/78/28/69/554782869.db2.gz OLYXMMKZOLFIFH-VWLRAHFJSA-N 0 1 607.150 9.196 50 0 KKAAMN CCOc1cc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ccccc3N2C(C)=O)ccc1OCc1ccc(Cl)cc1 ZINC000101481747 554784376 /nfs/dbraw/zinc/78/43/76/554784376.db2.gz IACWEKZYYKMQGF-YHZWMNSLSA-N 0 1 593.123 8.888 50 0 KKAAMN O=C(c1cccs1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(F)cc1 ZINC000101485275 554785327 /nfs/dbraw/zinc/78/53/27/554785327.db2.gz JHRXHNLCEDNISS-AFJIDDCJSA-N 0 1 529.036 8.405 50 0 KKAAMN CN(Cc1cccs1)Cc1cc(-c2ccc3c(c2)OCO3)ccc1OCC(=O)N1CC=C(c2ccc(F)cc2)CC1 ZINC000101605578 554805051 /nfs/dbraw/zinc/80/50/51/554805051.db2.gz MXNHNTWVKTXXMV-UHFFFAOYSA-N 0 1 570.686 6.610 50 0 KKAAMN Cc1ccc(C)c(N2CCN(CCCNC(=O)[C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3cccs3)CC2)c1 ZINC000101618679 554806885 /nfs/dbraw/zinc/80/68/85/554806885.db2.gz FXZDDLBXFPVEOS-ACHIHNKUSA-N 0 1 570.803 5.917 50 0 KKAAMN Cc1cccc(CN2c3ccccc3S/C(=C/c3ccc(C(=O)NCCN4CCN(Cc5ccccc5)CC4)cc3)C2=O)c1 ZINC000101637419 554813347 /nfs/dbraw/zinc/81/33/47/554813347.db2.gz OAAYEZWDZCQCSA-KVQDIILNSA-N 0 1 602.804 6.223 50 0 KKAAMN Cc1cccc(/C=C2/Sc3ccc(C(=O)NCCCN4CCN(c5cc(C)ccc5C)CC4)cc3N(C)C2=O)c1 ZINC000101640294 554814279 /nfs/dbraw/zinc/81/42/79/554814279.db2.gz ZUEOEWMNWNYTHA-NJZRLIGZSA-N 0 1 554.760 5.664 50 0 KKAAMN CCCCCc1ccc(C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccccc4C(C)=C[C@@H]3[C@]23c2ccccc2NC3=O)cc1 ZINC000101669667 554823109 /nfs/dbraw/zinc/82/31/09/554823109.db2.gz FQWBONXCEUBIIV-IJIJIXBQSA-N 0 1 560.738 7.398 50 0 KKAAMN O=C(CN1C(=O)/C(=C/c2cccc(Cl)c2)Sc2ccccc21)NCCCN1CCN(c2ccc(F)cc2)CC1 ZINC000101687754 554829982 /nfs/dbraw/zinc/82/99/82/554829982.db2.gz SYKYJEKWXUYITN-RRAHZORUSA-N 0 1 565.114 5.287 50 0 KKAAMN CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(C(C)C)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000101868774 554845434 /nfs/dbraw/zinc/84/54/34/554845434.db2.gz RPULQVSUAVMUDJ-UHFFFAOYSA-N 0 1 595.707 5.724 50 0 KKAAMN CCOCCC[N@H+](C)C1CCN(C(=O)c2oc3ccccc3c2[N-]C(=O)c2cc(-c3ccc(F)cc3)on2)CC1 ZINC000101917488 554850910 /nfs/dbraw/zinc/85/09/10/554850910.db2.gz GGRBNSHBAHRXER-UHFFFAOYSA-N 0 1 548.615 5.442 50 0 KKAAMN CCOCCC[N@@H+](C)C1CCN(C(=O)c2oc3ccccc3c2[N-]C(=O)c2cc(-c3ccc(F)cc3)on2)CC1 ZINC000101917488 554850912 /nfs/dbraw/zinc/85/09/12/554850912.db2.gz GGRBNSHBAHRXER-UHFFFAOYSA-N 0 1 548.615 5.442 50 0 KKAAMN CCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COCc1ccco1 ZINC000102050855 554871181 /nfs/dbraw/zinc/87/11/81/554871181.db2.gz XJLYNBVANNQYLU-GDLZYMKVSA-N 0 1 559.751 5.919 50 0 KKAAMN CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)ccc1OC(=O)c1ccc(Br)cc1 ZINC000102098272 554880351 /nfs/dbraw/zinc/88/03/51/554880351.db2.gz AJUYWEKSDZUJOC-XMMPIXPASA-N 0 1 570.509 6.324 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccc(CC(C)C)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000102191149 554894298 /nfs/dbraw/zinc/89/42/98/554894298.db2.gz YVZIQDUSNTVFNS-LVLBQQNZSA-N 0 1 580.728 7.440 50 0 KKAAMN O=C(COc1ccc(-c2ncccn2)cc1CN1CCc2ccccc2C1)NCc1ccc(C(F)(F)F)cc1 ZINC000102195640 554895348 /nfs/dbraw/zinc/89/53/48/554895348.db2.gz JCJMFOSKVQUREN-UHFFFAOYSA-N 0 1 532.566 5.416 50 0 KKAAMN CCCOc1ccccc1[C@H]1C2=C(C[C@@H](c3ccc(OC)cc3)CC2=O)Nc2ccccc2N1C(=O)C(F)(F)F ZINC000102337240 554912894 /nfs/dbraw/zinc/91/28/94/554912894.db2.gz CXBDIHYALJHLJN-OLILMLBXSA-N 0 1 550.577 7.596 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccc(Cl)cc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102554025 554963354 /nfs/dbraw/zinc/96/33/54/554963354.db2.gz NHINCRXLCFMLQI-CDACFMRSSA-N 0 1 561.037 6.205 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccc(Cl)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4cc(C)ccc4N32)c1 ZINC000102564031 554969460 /nfs/dbraw/zinc/96/94/60/554969460.db2.gz BFKUDOCGLQITML-CWDXJPQLSA-N 0 1 589.091 6.903 50 0 KKAAMN O=C1c2cccc(N3CCN(Cc4cccc5cccnc54)CC3)c2C(=O)N1Cc1cccc(C(F)(F)F)c1 ZINC000102614110 554983807 /nfs/dbraw/zinc/98/38/07/554983807.db2.gz HTYJKXHPKCJPIR-UHFFFAOYSA-N 0 1 530.550 5.372 50 0 KKAAMN Cc1ccc(/C=C2\CN(C)CC3=C2N=C2SC=C(c4ccc(Br)cc4)N2[C@H]3c2ccc(C)cc2)cc1 ZINC000102635330 554990416 /nfs/dbraw/zinc/99/04/16/554990416.db2.gz YNMDWUYVHVQQAK-YWWISXKNSA-N 0 1 554.557 7.807 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000102643007 554991018 /nfs/dbraw/zinc/99/10/18/554991018.db2.gz XOXKTOKSGGWUED-MGBGTMOVSA-N 0 1 522.689 8.638 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C(C)(C)C)cc3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000102644185 554991462 /nfs/dbraw/zinc/99/14/62/554991462.db2.gz CSVCMSRRMKLGOH-GZGVDWRWSA-N 0 1 588.714 10.133 50 0 KKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3cc(OC)c(OC)c(OC)c3)C2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000102650060 554995662 /nfs/dbraw/zinc/99/56/62/554995662.db2.gz NPTFAGYZIHNJEC-CGKQSPDFSA-N 0 1 572.658 6.690 50 0 KKAAMN COCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COCc1ccccc1 ZINC000102661956 555000756 /nfs/dbraw/zinc/00/07/56/555000756.db2.gz MOYQRMMVXGGGLE-MGBGTMOVSA-N 0 1 599.816 5.953 50 0 KKAAMN Cc1cccc(N2CCN(Cc3cc(-c4cccs4)ccc3OCC(=O)N[C@H]3CCOC(C)(C)C3)CC2)c1C ZINC000102684726 555006709 /nfs/dbraw/zinc/00/67/09/555006709.db2.gz KGMWJBHPQGABHF-MHZLTWQESA-N 0 1 547.765 5.807 50 0 KKAAMN COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000102745155 555037017 /nfs/dbraw/zinc/03/70/17/555037017.db2.gz AXWGVJBZYGTVMO-MPFGFTFXSA-N 0 1 534.568 5.274 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(OCCC)cc4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000102749638 555043675 /nfs/dbraw/zinc/04/36/75/555043675.db2.gz KJDHSCHCWVWFPI-IDZRBWSNSA-N 0 1 544.648 6.104 50 0 KKAAMN CCCCOc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(OCCC)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1OCC ZINC000102749638 555043677 /nfs/dbraw/zinc/04/36/77/555043677.db2.gz KJDHSCHCWVWFPI-IDZRBWSNSA-N 0 1 544.648 6.104 50 0 KKAAMN CCOc1cc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000102755079 555047038 /nfs/dbraw/zinc/04/70/38/555047038.db2.gz KPHCPOAPZBEPFP-IDZRBWSNSA-N 0 1 538.575 5.855 50 0 KKAAMN CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000102760128 555052228 /nfs/dbraw/zinc/05/22/28/555052228.db2.gz KWKZEBNITZMECM-JFHPUIQFSA-N 0 1 534.612 6.024 50 0 KKAAMN Cc1cccc(CN2c3cc(C(=O)NCCCN4CCN(c5cc(C)ccc5C)CC4)ccc3S/C(=C\c3ccccc3)C2=O)c1 ZINC000102787669 555068337 /nfs/dbraw/zinc/06/83/37/555068337.db2.gz QLUVLAVLWYGIDK-QEOQBAOWSA-N 0 1 630.858 7.234 50 0 KKAAMN CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3cccc(Cl)c3)C2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000102788868 555068563 /nfs/dbraw/zinc/06/85/63/555068563.db2.gz WFGIDTCASYZESY-PRAQEBQASA-N 0 1 517.025 7.317 50 0 KKAAMN Cc1ccc2c(c1)N(C(=O)c1cccs1)[C@H](c1ccc(F)cc1)C1C(=O)C[C@@H](c3ccccc3)CC1=N2 ZINC000102859503 555089737 /nfs/dbraw/zinc/08/97/37/555089737.db2.gz JBKXINNTTNTKBV-SMSORMJASA-N 0 1 508.618 8.060 50 0 KKAAMN CC(C)(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)c4cccs4)[C@H]3c3ccccc3Cl)C2)cc1 ZINC000102865007 555094532 /nfs/dbraw/zinc/09/45/32/555094532.db2.gz PMJSMAQHUKISJW-ICACTRECSA-N 0 1 567.154 9.563 50 0 KKAAMN CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1Cl ZINC000102872696 555103199 /nfs/dbraw/zinc/10/31/99/555103199.db2.gz DXODVFBYVWZZRH-WRGVRERRSA-N 0 1 533.499 8.861 50 0 KKAAMN CC(C)(C)c1cc([C@H]2C3=C(C[C@@H](c4ccc(F)cc4)CC3=O)Nc3ccccc3N2C(=O)c2cccs2)cc(C(C)(C)C)c1O ZINC000102873370 555103705 /nfs/dbraw/zinc/10/37/05/555103705.db2.gz QTMQDHPCMAQKHH-NHOCJEJCSA-N 0 1 622.806 10.052 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C2[C@@H]1c1ccccc1Cl ZINC000102876416 555106247 /nfs/dbraw/zinc/10/62/47/555106247.db2.gz HHRVHDNNYJEPCB-BGOLNKOXSA-N 0 1 517.044 8.610 50 0 KKAAMN CCCCOc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Cc2ccccc2)cc1 ZINC000102878830 555108199 /nfs/dbraw/zinc/10/81/99/555108199.db2.gz OAWIXVQMZGVQQG-JGCGQSQUSA-N 0 1 508.662 7.901 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccnc1 ZINC000102880821 555109483 /nfs/dbraw/zinc/10/94/83/555109483.db2.gz AKEKJNGDSKBVIH-JPQMRUPTSA-N 0 1 525.649 7.229 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2C(=C(O)c3ccc(Cl)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000102887765 555120089 /nfs/dbraw/zinc/12/00/89/555120089.db2.gz WTVQPCPUGQEZOF-RCFASBGUSA-N 0 1 573.092 7.203 50 0 KKAAMN 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 555121396 /nfs/dbraw/zinc/12/13/96/555121396.db2.gz KOCHPUKKFCJRIZ-UNMGZEBXSA-N 0 1 550.655 5.682 50 0 KKAAMN c1ccc(C(c2ccccc2)N2CCN(c3ncnc4c3sc3nc(N5CCOCC5)c5c(c34)CCC5)CC2)cc1 ZINC000102888538 555121793 /nfs/dbraw/zinc/12/17/93/555121793.db2.gz GHTINLDVDNSLPR-UHFFFAOYSA-N 0 1 562.743 5.476 50 0 KKAAMN CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C(C)=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102888764 555122148 /nfs/dbraw/zinc/12/21/48/555122148.db2.gz AKQDAIATEXOWTH-OYTZIAQDSA-N 0 1 567.129 7.271 50 0 KKAAMN CCCCCc1ccc(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102893326 555130562 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ZINC000102927018 555151715 /nfs/dbraw/zinc/15/17/15/555151715.db2.gz JCHWROHQPRIYBU-UHFFFAOYSA-N 0 1 547.120 6.971 50 0 KKAAMN Oc1c(Br)cc(Br)cc1C=C(c1nc2ccccc2s1)c1nc2ccccc2s1 ZINC000102934137 555161259 /nfs/dbraw/zinc/16/12/59/555161259.db2.gz YTFUWNLUJMAFFX-UHFFFAOYSA-N 0 1 544.293 7.726 50 0 KKAAMN Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H](c1ccc(F)cc1)C(c1nc3ccccc3s1)=C(c1ccccc1)N2 ZINC000102937583 555165710 /nfs/dbraw/zinc/16/57/10/555165710.db2.gz BMDVFVGBEYXADU-MUUNZHRXSA-N 0 1 571.706 8.665 50 0 KKAAMN COc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(S(=O)(=O)Nc4ccc(Cl)cc4)c3)c3ccccc3n2)cc1 ZINC000102955677 555173689 /nfs/dbraw/zinc/17/36/89/555173689.db2.gz FALARZCCBNAERY-UHFFFAOYSA-N 0 1 578.477 7.270 50 0 KKAAMN O=C(c1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(Cl)cc1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000102958227 555174474 /nfs/dbraw/zinc/17/44/74/555174474.db2.gz AQBIZKKNCXAKBD-UHFFFAOYSA-N 0 1 614.982 6.995 50 0 KKAAMN COc1ccccc1N1CCN(C(=O)c2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c(Cl)cc2Cl)CC1 ZINC000102966256 555180165 /nfs/dbraw/zinc/18/01/65/555180165.db2.gz CJUOEZMSXDVILK-UHFFFAOYSA-N 0 1 588.435 5.784 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)O[C@@H](C)C(=O)N(CCc2ccccc2)Cc2ccccc2)c1 ZINC000102975489 555185671 /nfs/dbraw/zinc/18/56/71/555185671.db2.gz BHUKPENWHSIDJT-VWLOTQADSA-N 0 1 586.710 5.621 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000102984530 555190204 /nfs/dbraw/zinc/19/02/04/555190204.db2.gz JWFWXDJJHHLZGF-NHRFMIRVSA-N 0 1 554.687 7.843 50 0 KKAAMN COc1ccc(NC(=O)C[C@@H](NC(C)=O)c2ccccc2)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000102993990 555193957 /nfs/dbraw/zinc/19/39/57/555193957.db2.gz RTMFVHHLZWFAOL-OAQYLSRUSA-N 0 1 536.437 5.009 50 0 KKAAMN COc1ccc(NC(=O)CSCC(=O)Nc2cccc(C)c2)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000102994006 555194065 /nfs/dbraw/zinc/19/40/65/555194065.db2.gz SEVYKNQHBOBGJP-UHFFFAOYSA-N 0 1 568.504 5.422 50 0 KKAAMN Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(Cl)c(S(=O)(=O)Nc4ccc(Br)cc4)c3)cc2)n1 ZINC000102994325 555194539 /nfs/dbraw/zinc/19/45/39/555194539.db2.gz DMLBLSJPESTDTL-UHFFFAOYSA-N 0 1 559.873 5.958 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3ccc(Br)cc3)C2=O)c1 ZINC000102995861 555195142 /nfs/dbraw/zinc/19/51/42/555195142.db2.gz LFFIZORQBOGGJN-BWAHOGKJSA-N 0 1 604.482 5.899 50 0 KKAAMN O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1cccc(I)c1 ZINC000102998780 555198025 /nfs/dbraw/zinc/19/80/25/555198025.db2.gz RAYXCCCEAQEZLZ-UHFFFAOYSA-N 0 1 547.201 5.651 50 0 KKAAMN O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1cccs1 ZINC000102999452 555199053 /nfs/dbraw/zinc/19/90/53/555199053.db2.gz BZFYZQYYBTUZSV-XMMPIXPASA-N 0 1 613.548 6.317 50 0 KKAAMN Cc1ccc(N2C(=O)c3ccccc3C(=CNc3cc(Cl)ccc3N3CCN(C)CC3)C2=O)cc1C ZINC000103004545 555202835 /nfs/dbraw/zinc/20/28/35/555202835.db2.gz AOLKEIWDSGWETN-XIEYBQDHSA-N 0 1 501.030 5.349 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cccc(N2C(=O)c3ccccc3C(=CNc3cccc4c3CCCC4)C2=O)c1 ZINC000103004512 555202842 /nfs/dbraw/zinc/20/28/42/555202842.db2.gz LJTNOKAWZSPAJK-HFTWOUSFSA-N 0 1 579.678 6.015 50 0 KKAAMN CCOC(=O)c1ccc(N2C(=O)c3ccccc3C(=CNc3cccc(S(=O)(=O)Nc4ccccc4OC)c3)C2=O)cc1 ZINC000103004924 555202955 /nfs/dbraw/zinc/20/29/55/555202955.db2.gz BELCWUYULWXYPO-OOAXWGSJSA-N 0 1 597.649 5.313 50 0 KKAAMN CCN1CCN(c2c(CN(CC(C)C)C(=O)c3cccc(Br)c3)c(C)nn2-c2ccccc2)CC1 ZINC000103020177 555211537 /nfs/dbraw/zinc/21/15/37/555211537.db2.gz PQJMDRKTCDCMQF-UHFFFAOYSA-N 0 1 538.534 5.384 50 0 KKAAMN CCCN(Cc1c(C)nn(-c2ccccc2)c1N1CCN(CC)CC1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000103024649 555215057 /nfs/dbraw/zinc/21/50/57/555215057.db2.gz GRPMVWLWYQNVRX-UHFFFAOYSA-N 0 1 581.605 6.413 50 0 KKAAMN CCN1CCN(c2c(CN(C(=O)c3ccc(Cl)c(Cl)c3)C(C)C)c(C)nn2-c2cccc(F)c2)CC1 ZINC000103025468 555215623 /nfs/dbraw/zinc/21/56/23/555215623.db2.gz GREGUXSDXJJGIS-UHFFFAOYSA-N 0 1 532.491 5.819 50 0 KKAAMN CCOc1nc(-c2cccc(F)c2)n(-c2ccc(NS(=O)(=O)c3cc(Br)ccc3OC)cc2)n1 ZINC000103047302 555229048 /nfs/dbraw/zinc/22/90/48/555229048.db2.gz WRMDLRTWHFNXDQ-UHFFFAOYSA-N 0 1 547.406 5.044 50 0 KKAAMN Cc1ccc(NS(=O)(=O)c2cc(NC(=O)c3oc4ccccc4c3CSC3CCCCC3)ccc2Cl)c(C)c1 ZINC000103048804 555230707 /nfs/dbraw/zinc/23/07/07/555230707.db2.gz RTAUPHFLHOHJIG-UHFFFAOYSA-N 0 1 583.175 8.322 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)ccc1N1CCCC1 ZINC000103049545 555231582 /nfs/dbraw/zinc/23/15/82/555231582.db2.gz XSRNXEPRAMODOC-UHFFFAOYSA-N 0 1 611.145 6.316 50 0 KKAAMN COc1ccc(-c2n[nH]c(SCC(=O)N3N=C(c4ccc5ccccc5c4)C[C@H]3c3ccc(OC)cc3)n2)cc1 ZINC000103067826 555248070 /nfs/dbraw/zinc/24/80/70/555248070.db2.gz JZTQKSJMRKMFOF-NDEPHWFRSA-N 0 1 549.656 6.112 50 0 KKAAMN CCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COCc1ccco1 ZINC000103072380 555252363 /nfs/dbraw/zinc/25/23/63/555252363.db2.gz CQHXEODWKVDYAN-PMERELPUSA-N 0 1 573.778 6.310 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1ccc2oc(SCC(=O)Nc3c(Cl)cccc3C(F)(F)F)nc2c1 ZINC000103088144 555267186 /nfs/dbraw/zinc/26/71/86/555267186.db2.gz HFUYIKCDCFFDHH-UHFFFAOYSA-N 0 1 571.986 6.040 50 0 KKAAMN CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1 ZINC000103090037 555269182 /nfs/dbraw/zinc/26/91/82/555269182.db2.gz FUONONYKXSKAMX-UHFFFAOYSA-N 0 1 552.649 5.066 50 0 KKAAMN CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2C)sc2c1CC[C@H](C)C2 ZINC000103099102 555276384 /nfs/dbraw/zinc/27/63/84/555276384.db2.gz DJRJIOBBTPJREA-WMZOPIPTSA-N 0 1 602.706 5.482 50 0 KKAAMN CCOC(=O)c1c(NC(=O)[C@@H](C)OC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2C)sc2c1CC[C@@H](C)C2 ZINC000103099095 555276432 /nfs/dbraw/zinc/27/64/32/555276432.db2.gz DJRJIOBBTPJREA-SJLPKXTDSA-N 0 1 602.706 5.482 50 0 KKAAMN COCCCN(Cc1c(C)nn(-c2ccccc2)c1N1CCN(C)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000103110326 555285046 /nfs/dbraw/zinc/28/50/46/555285046.db2.gz OUZUKTFIEWRZLN-UHFFFAOYSA-N 0 1 544.622 5.022 50 0 KKAAMN CCc1nn(-c2ccc(F)cc2)c(N2CCN(C(C)C)CC2)c1CN(CC(C)C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000103176917 555327663 /nfs/dbraw/zinc/32/76/63/555327663.db2.gz NMUYQZLERIIQGM-UHFFFAOYSA-N 0 1 588.694 6.813 50 0 KKAAMN Cc1[nH]c2ccccc2c1C1=C(c2c(C)[nH]n(-c3ccc(Cl)cc3)c2=O)C(=O)N(Cc2ccc(F)cc2)C1=O ZINC000103185975 555331229 /nfs/dbraw/zinc/33/12/29/555331229.db2.gz ITAPTLNTFZOOOC-UHFFFAOYSA-N 0 1 540.982 5.948 50 0 KKAAMN Cc1cccc(N2N=C(c3ccccc3F)C(c3ccc(NC(=O)c4cccc(C(F)(F)F)c4)cc3)C2=O)c1 ZINC000103265863 555347248 /nfs/dbraw/zinc/34/72/48/555347248.db2.gz PDVSLKTXRLVZCF-UHFFFAOYSA-N 0 1 531.509 7.631 50 0 KKAAMN Cc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)c(C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000103307709 555356707 /nfs/dbraw/zinc/35/67/07/555356707.db2.gz YNAIDJOOQSGNPK-UHFFFAOYSA-N 0 1 542.646 5.519 50 0 KKAAMN C[C@H]1CN(C(=O)CCN2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000103363158 555365287 /nfs/dbraw/zinc/36/52/87/555365287.db2.gz SGHUENSJVVOIES-MYUZEXMDSA-N 0 1 575.537 6.296 50 0 KKAAMN CCN1CCN(c2c(CN(CC(C)C)C(=O)Nc3ccc(Cl)c(Cl)c3)c(C)nn2-c2ccccc2)CC1 ZINC000103363839 555365640 /nfs/dbraw/zinc/36/56/40/555365640.db2.gz DUPDXWPLUIVTAU-UHFFFAOYSA-N 0 1 543.543 6.320 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3cccc(OC)c3)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103519914 555425413 /nfs/dbraw/zinc/42/54/13/555425413.db2.gz RZCCVEZFKPYESN-IEMSDXTESA-N 0 1 556.618 5.560 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3F)N3c4ccccc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103520878 555426172 /nfs/dbraw/zinc/42/61/72/555426172.db2.gz VWLYEPWPZOISMM-CDACFMRSSA-N 0 1 544.582 5.690 50 0 KKAAMN COc1cccc(C(O)=C2[C@H](C(=O)c3cccs3)N3c4ccccc4C(C)=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000103526403 555428752 /nfs/dbraw/zinc/42/87/52/555428752.db2.gz JAEDMTIMWZYTMY-MKYOLNSUSA-N 0 1 546.648 6.003 50 0 KKAAMN COc1cc2c3c(c1O)-c1cc(OC)c(Oc4cc(OC)c(OC)cc4C[C@H]4c5cc(OC)c(OC)cc5CCN4C)cc1C[C@@H]3N(C)CC2 ZINC000165710147 562850307 /nfs/dbraw/zinc/85/03/07/562850307.db2.gz DRACRVAKPKYPSB-VMPREFPWSA-N 0 1 682.814 6.760 50 0 KKAAMN Cc1cccc2c1NC(=O)[C@@]21[N@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc3ccccc3c2)[C@]12c1ccccc1NC2=O ZINC000248331718 562881620 /nfs/dbraw/zinc/88/16/20/562881620.db2.gz HTVNOZMEKLYJJG-QGTOFTNVSA-N 0 1 513.597 5.163 50 0 KKAAMN Cc1cccc2c1NC(=O)[C@@]21N2CCC[C@@H]2[C@H](C(=O)c2ccc3ccccc3c2)[C@]12c1ccccc1NC2=O ZINC000248331718 562881621 /nfs/dbraw/zinc/88/16/21/562881621.db2.gz HTVNOZMEKLYJJG-QGTOFTNVSA-N 0 1 513.597 5.163 50 0 KKAAMN COc1ccc(-c2cccc(C(=O)N(C)C)c2)cc1S(=O)(=O)Nc1cccc(NCCNC(=O)c2cccc(C)c2)c1 ZINC000473136423 562901033 /nfs/dbraw/zinc/90/10/33/562901033.db2.gz RHLMXWCISNJNDH-UHFFFAOYSA-N 0 1 586.714 5.015 50 0 in-vitro KKAAMN COc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CSc2nc3ccccc3s2)cc1 ZINC000104034369 571371454 /nfs/dbraw/zinc/37/14/54/571371454.db2.gz NQLGFQOWCUTGMF-LJAQVGFWSA-N 0 1 555.725 7.890 50 0 KKAAMN O=C(Nc1ccc(Cl)cc1)[C@@H]1C(=C(O)c2ccc(Cl)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000104054249 571371905 /nfs/dbraw/zinc/37/19/05/571371905.db2.gz PXAJLINWNJTMMK-NBJHOTSESA-N 0 1 580.471 6.605 50 0 KKAAMN O=C(Nc1ccc(Cl)cc1)[C@@H]1C(=C(O)c2ccc(Cl)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000104054241 571371965 /nfs/dbraw/zinc/37/19/65/571371965.db2.gz PXAJLINWNJTMMK-KCIBBDPESA-N 0 1 580.471 6.605 50 0 KKAAMN O=C(Nc1ccc(Cl)cc1)[C@@H]1C(=C(O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 ZINC000104073488 571372312 /nfs/dbraw/zinc/37/23/12/571372312.db2.gz SZTCXLXVQOTQNF-KCIBBDPESA-N 0 1 564.016 6.091 50 0 KKAAMN O[C@@H](COCc1ccco1)CN(Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104984904 571388810 /nfs/dbraw/zinc/38/88/10/571388810.db2.gz YWJCPDUGNPGTHU-IFMALSPDSA-N 0 1 507.389 5.298 50 0 KKAAMN CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@H](O)COCc1ccccc1 ZINC000105003790 571388894 /nfs/dbraw/zinc/38/88/94/571388894.db2.gz JUYMECFYFTYQJZ-LITSAYRRSA-N 0 1 536.738 5.276 50 0 KKAAMN CC(C)c1ccc(NC(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000105060494 571390787 /nfs/dbraw/zinc/39/07/87/571390787.db2.gz FCXWUYCGGPJHNB-YKGWIAGDSA-N 0 1 548.728 6.113 50 0 KKAAMN Cc1ccccc1[C@H]1c2ccsc2CCN1[C@H](C)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000105060331 571390856 /nfs/dbraw/zinc/39/08/56/571390856.db2.gz RFSYZUIEKFFPTC-BCHFMIIMSA-N 0 1 542.532 5.684 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)ccc1OCc1ccccc1 ZINC000105990184 571410040 /nfs/dbraw/zinc/41/00/40/571410040.db2.gz HXMUMYVNZGBUIT-MPFGFTFXSA-N 0 1 585.454 6.088 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(NCCCC(=O)Nc3ccc4nc(CC(C)C)[nH]c4c3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000108449443 571424652 /nfs/dbraw/zinc/42/46/52/571424652.db2.gz PMWVQZAGFDZLSS-SANMLTNESA-N 0 1 641.769 5.769 50 0 biogenic KKAAMN Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccccc1C(=O)OCC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000110530799 571431460 /nfs/dbraw/zinc/43/14/60/571431460.db2.gz KHAMYUXTAFVNBD-UVWWXKGLSA-N 0 1 543.726 6.254 50 0 KKAAMN Cc1c(C)c(S(=O)(=O)NC(=[NH2+])NCCC[C@@H](CC(=O)[O-])NC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c2c1OC(C)(C)CC2 ZINC000150338946 571457191 /nfs/dbraw/zinc/45/71/91/571457191.db2.gz MGKMEQWQKICWRD-DEOSSOPVSA-N 0 1 676.836 5.680 50 0 KKAAMN CSCC[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]21 ZINC000150386076 571469275 /nfs/dbraw/zinc/46/92/75/571469275.db2.gz KPXRSOBZIDDLJG-AIKBEYBBSA-N 0 1 634.507 6.285 50 0 KKAAMN CCCCOc1ccc(N2C(=O)C[C@@H](N(C(=S)Nc3ccc(Cl)c(Cl)c3)c3cnn(Cc4ccc(F)cc4)c3)C2=O)cc1 ZINC000150395859 571476194 /nfs/dbraw/zinc/47/61/94/571476194.db2.gz YPHOLKZNBYHYPH-MUUNZHRXSA-N 0 1 640.568 7.092 50 0 KKAAMN CCCCOc1ccc(N2C(=O)CC(N(C(=S)Nc3ccc(Cl)c(Cl)c3)c3cnn(Cc4ccc(F)cc4)c3)C2=O)cc1 ZINC000150395859 571476195 /nfs/dbraw/zinc/47/61/95/571476195.db2.gz YPHOLKZNBYHYPH-MUUNZHRXSA-N 0 1 640.568 7.092 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCCN2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000150396381 571476526 /nfs/dbraw/zinc/47/65/26/571476526.db2.gz KRTPVRYRZIBVMA-SSEXGKCCSA-N 0 1 654.664 6.325 50 0 KKAAMN CCOc1cc([C@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)CC(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000150397790 571477002 /nfs/dbraw/zinc/47/70/02/571477002.db2.gz NDLYFFBASGUQQN-VFHLRKMQSA-N 0 1 665.230 9.923 50 0 KKAAMN CCOc1cc([C@@H]2C3=C(C[C@@H](c4ccc(OC)cc4)CC3=O)Nc3ccccc3N2C(=O)CC(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000150397787 571477024 /nfs/dbraw/zinc/47/70/24/571477024.db2.gz NDLYFFBASGUQQN-RWBZGNMBSA-N 0 1 665.230 9.923 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)ccc1N1CCCC1 ZINC000150408193 571480601 /nfs/dbraw/zinc/48/06/01/571480601.db2.gz QWJVCEDPFGWDSB-UHFFFAOYSA-N 0 1 655.198 5.827 50 0 KKAAMN CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000150410955 571483390 /nfs/dbraw/zinc/48/33/90/571483390.db2.gz MXBKJDWRKPKLPG-RWBZGNMBSA-N 0 1 683.676 11.102 50 0 KKAAMN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCCN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000150414334 571485042 /nfs/dbraw/zinc/48/50/42/571485042.db2.gz GJMZZOIHKBOMPD-PMERELPUSA-N 0 1 638.209 5.811 50 0 KKAAMN Cc1c(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(Cl)c(S(=O)(=O)Nc4cccc(Cl)c4)c3)c2)c(=O)n(-c2ccccc2)n1C ZINC000150423808 571488820 /nfs/dbraw/zinc/48/88/20/571488820.db2.gz AHMYYQQGWACMJS-UHFFFAOYSA-N 0 1 735.071 6.323 50 0 KKAAMN O=C(NCCCN1CCN(c2ccc(F)cc2)CC1)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O ZINC000150426716 571490994 /nfs/dbraw/zinc/49/09/94/571490994.db2.gz YUHFNNBQUBIYII-UHFFFAOYSA-N 0 1 647.172 5.414 50 0 KKAAMN COc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000150431671 571493688 /nfs/dbraw/zinc/49/36/88/571493688.db2.gz HHUONSCCAPUPTL-GOTSBHOMSA-N 0 1 630.695 6.732 50 0 KKAAMN COc1ccc2nc(SCC(=O)N3c4ccccc4N=C4C[C@H](c5ccc(F)cc5)CC(=O)C4[C@H]3c3cccc(OC)c3)[nH]c2c1 ZINC000150437187 571496584 /nfs/dbraw/zinc/49/65/84/571496584.db2.gz ZAVCICCRLWJHHX-IYLMVCPTSA-N 0 1 634.733 8.062 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4Cl)c3s2)ccc1N1CCOCC1 ZINC000150438288 571496791 /nfs/dbraw/zinc/49/67/91/571496791.db2.gz BUEZNBPMGIUPIC-UHFFFAOYSA-N 0 1 686.643 6.660 50 0 KKAAMN COc1cc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](c4cc(OC)c(OC)c(OC)c4)C3)[C@@H]2c2cccc(F)c2)cc(OC)c1OC ZINC000150439501 571497386 /nfs/dbraw/zinc/49/73/86/571497386.db2.gz UCTLPMCGKXJLHF-JBUCUFAESA-N 0 1 668.718 7.741 50 0 KKAAMN COc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCCN3CCN(c4ccc(F)cc4)CC3)C2=O)cc1Br ZINC000150450594 571502389 /nfs/dbraw/zinc/50/23/89/571502389.db2.gz SURXACJKVOHVQF-ZTKZIYFRSA-N 0 1 639.591 5.405 50 0 KKAAMN COc1ccccc1NS(=O)(=O)c1ccc(Cl)c(NC(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)nc3ccccc32)c1 ZINC000150451314 571503042 /nfs/dbraw/zinc/50/30/42/571503042.db2.gz LCHWJHODZSSFSC-UHFFFAOYSA-N 0 1 634.110 6.643 50 0 KKAAMN COc1ccc(Br)cc1[C@H]1C(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)C(=O)N1c1ccc(C)c(Cl)c1 ZINC000150453571 571503566 /nfs/dbraw/zinc/50/35/66/571503566.db2.gz ANGSSQIWVFSGMI-VXKWHMMOSA-N 0 1 663.566 7.786 50 0 KKAAMN O=C(c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000150480909 571512311 /nfs/dbraw/zinc/51/23/11/571512311.db2.gz INNWNELRQNDGNU-UHFFFAOYSA-N 0 1 824.447 8.236 50 0 KKAAMN O=C(c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000150480909 571512312 /nfs/dbraw/zinc/51/23/12/571512312.db2.gz INNWNELRQNDGNU-UHFFFAOYSA-N 0 1 824.447 8.236 50 0 KKAAMN FC(F)(F)Oc1ccc2[nH]c(-c3ccc(OCCOCCOc4ccc(-c5nc6ccc(OC(F)(F)F)cc6[nH]5)nc4)cn3)nc2c1 ZINC000164460208 571548171 /nfs/dbraw/zinc/54/81/71/571548171.db2.gz WJBSSBFGPKTMQQ-UHFFFAOYSA-N 0 1 660.531 6.835 50 0 in-vitro KKAAMN CSc1ccc(NC(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000169677355 571554681 /nfs/dbraw/zinc/55/46/81/571554681.db2.gz KBOITOQUUWEKPB-WTYVLRPYSA-N 0 1 552.741 5.712 50 0 KKAAMN O=C(NCCc1cccs1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12 ZINC000169679099 571556245 /nfs/dbraw/zinc/55/62/45/571556245.db2.gz LJTKYKHOOQYBBA-NOZRDPDXSA-N 0 1 517.592 5.128 50 0 KKAAMN O=C(NCCc1cccs1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CCN(Cc3ccc(F)cc3)C[C@@H]12 ZINC000169679100 571556292 /nfs/dbraw/zinc/55/62/92/571556292.db2.gz LJTKYKHOOQYBBA-ZCYQVOJMSA-N 0 1 517.592 5.128 50 0 KKAAMN CCc1ccc(C(=O)N2CCN(C(=O)CCN3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000169680887 571557281 /nfs/dbraw/zinc/55/72/81/571557281.db2.gz YGVLIVLQCUTCGO-KCWXNJEJSA-N 0 1 519.686 5.160 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)Nc3ccc4nc(C(C)C)[nH]c4c3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263585822 572120583 /nfs/dbraw/zinc/12/05/83/572120583.db2.gz MYJVVGABLMPTSD-UKJJDJLKSA-N 0 1 641.769 5.938 50 0 KKAAMN COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)Nc3ccc4nc(CC(C)C)[nH]c4c3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263585951 572120962 /nfs/dbraw/zinc/12/09/62/572120962.db2.gz OCPBZMNGFBHXLX-DHIFEGFHSA-N 0 1 669.823 6.403 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000226820310 572142037 /nfs/dbraw/zinc/14/20/37/572142037.db2.gz UUZJMAIIODEPQS-UPRLRBBYSA-N 0 1 538.531 5.105 50 0 KKAAMN CCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1OCC ZINC000226815431 572142056 /nfs/dbraw/zinc/14/20/56/572142056.db2.gz QUTMYCXWAXWEMC-JIMJEQGWSA-N 0 1 541.431 6.232 50 0 KKAAMN CCCCOc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)c(Cl)c4)c(O)c3ON2c2ccccc2)cc1OC ZINC000226821135 572142754 /nfs/dbraw/zinc/14/27/54/572142754.db2.gz LRMJHMLBWTVHRI-JIMJEQGWSA-N 0 1 541.431 6.232 50 0 KKAAMN CC(=O)[C@@H]1C(=C(O)c2ccc(Br)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(F)ccc3N12 ZINC000226837832 572143551 /nfs/dbraw/zinc/14/35/51/572143551.db2.gz AGKBOHNBAXQCCL-FQJHJXCSSA-N 0 1 531.381 5.150 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2C(=C(O)c3ccncc3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000226913641 572145239 /nfs/dbraw/zinc/14/52/39/572145239.db2.gz HYGHLBUQCYKRDY-XYIJYTLJSA-N 0 1 539.635 5.945 50 0 KKAAMN COc1cc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)ccc1OC(=O)c1ccc(F)cc1 ZINC000227017630 572146566 /nfs/dbraw/zinc/14/65/66/572146566.db2.gz QBPQPBWTXZKNEU-UPRLRBBYSA-N 0 1 617.427 5.867 50 0 KKAAMN CCOc1cc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)cc(Br)c1O ZINC000227025907 572147529 /nfs/dbraw/zinc/14/75/29/572147529.db2.gz RJVSPADDYRLXHJ-QZNHQXDQSA-N 0 1 588.252 5.367 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccc(C)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4ccccc4N32)c1 ZINC000227241013 572152181 /nfs/dbraw/zinc/15/21/81/572152181.db2.gz JAAFBTBVLKLPCL-RJISQBBCSA-N 0 1 554.646 6.250 50 0 KKAAMN CCCCCc1ccc(C(O)=C2[C@@H](C(=O)c3cccs3)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000227241045 572152192 /nfs/dbraw/zinc/15/21/92/572152192.db2.gz JBAPVEUVVINPCP-RCFASBGUSA-N 0 1 572.730 7.337 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2C(=C(O)c3ccc(C)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000227240215 572152456 /nfs/dbraw/zinc/15/24/56/572152456.db2.gz JKDVOPPSKQIMEM-GIOIUPFBSA-N 0 1 552.674 6.858 50 0 KKAAMN O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1[C@H](C(=O)c2ccc(F)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000229858690 572161434 /nfs/dbraw/zinc/16/14/34/572161434.db2.gz CDZOTDFZTYOTMC-URSNNPPXSA-N 0 1 620.680 7.132 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2C(=C(O)c3ccc(C)cc3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000229890694 572165669 /nfs/dbraw/zinc/16/56/69/572165669.db2.gz JKDVOPPSKQIMEM-TTWTZOLTSA-N 0 1 552.674 6.858 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2C(=C(O)c3ccc(Cl)cc3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N23)cc1 ZINC000229892480 572165984 /nfs/dbraw/zinc/16/59/84/572165984.db2.gz WTVQPCPUGQEZOF-IMRGVNHMSA-N 0 1 573.092 7.203 50 0 KKAAMN CC(=O)[C@@H]1[C@H](C(=O)c2ccc(CC(C)C)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(Cl)ccc3N21 ZINC000229897573 572166579 /nfs/dbraw/zinc/16/65/79/572166579.db2.gz PMAFBANPUHTOCE-MLSLEFIRSA-N 0 1 525.048 6.101 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(=C(O)c2ccc(Cl)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000229923949 572170381 /nfs/dbraw/zinc/17/03/81/572170381.db2.gz PJICONYPPBJKPV-AGKKXDHOSA-N 0 1 565.094 6.956 50 0 KKAAMN COc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccc(C)cc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229950531 572173472 /nfs/dbraw/zinc/17/34/72/572173472.db2.gz VIQSGCVZJLASTE-FJLMOIIKSA-N 0 1 554.646 6.250 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1ccccc1)C(=C(O)c1ccc(CC(C)C)cc1)[C@]21C(=O)Nc2ccccc21 ZINC000229979637 572176592 /nfs/dbraw/zinc/17/65/92/572176592.db2.gz QYLVZMIETVLXEO-VIBCZQBBSA-N 0 1 566.701 7.131 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2ccccc2)C(=C(O)c2ccncc2)[C@]12C(=O)Nc1ccccc12 ZINC000229982418 572176847 /nfs/dbraw/zinc/17/68/47/572176847.db2.gz ZWIGVAWXIVDOOY-YUAOJYLXSA-N 0 1 525.608 5.636 50 0 KKAAMN Oc1c2c(c(O)n1-c1ccc(Br)cc1)[C@@H](c1cc3ccccc3nc1Cl)N(c1ccccc1)O2 ZINC000229991938 572177073 /nfs/dbraw/zinc/17/70/73/572177073.db2.gz KQNQGMTYKQPGDF-YTFSRNRJSA-N 0 1 534.797 5.702 50 0 KKAAMN CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(C)cc4C(C)=C[C@H]3[C@]23c2ccccc2NC3=O)cc1 ZINC000229989150 572177187 /nfs/dbraw/zinc/17/71/87/572177187.db2.gz UNARJIQHQMBRBX-OWGRSJDOSA-N 0 1 546.711 6.926 50 0 KKAAMN Cc1ccc(C(O)=C2[C@@H](C(=O)c3cccs3)N3c4ccc(C)cc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000230005487 572177705 /nfs/dbraw/zinc/17/77/05/572177705.db2.gz GXTWKOGLUZIUQJ-YUAOJYLXSA-N 0 1 544.676 6.611 50 0 KKAAMN Cc1ccc(C(O)=C2[C@@H](C(=O)c3cccs3)N3c4ccccc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000230024689 572179543 /nfs/dbraw/zinc/17/95/43/572179543.db2.gz GNARQZJKIVFXNO-AGKKXDHOSA-N 0 1 530.649 6.303 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2C(=C(O)c3ccccc3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000230088733 572183437 /nfs/dbraw/zinc/18/34/37/572183437.db2.gz HUECZYILIZAWIY-IMRGVNHMSA-N 0 1 538.647 6.550 50 0 KKAAMN COc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(Cl)cc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000230189308 572184836 /nfs/dbraw/zinc/18/48/36/572184836.db2.gz CSFVDXPSRXRALB-QAZWXMQQSA-N 0 1 541.047 5.937 50 0 KKAAMN O=C(c1cccs1)[C@@H]1C(=C(O)c2ccc3c(c2)OCO3)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000245239828 572213079 /nfs/dbraw/zinc/21/30/79/572213079.db2.gz FIJBDJDXNHOIDY-QNNAYCHJSA-N 0 1 546.604 5.333 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2C(=C(O)c3ccc4c(c3)OCO4)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000245245200 572217430 /nfs/dbraw/zinc/21/74/30/572217430.db2.gz BQTCEKOBHWDQGX-GIOIUPFBSA-N 0 1 582.656 6.278 50 0 KKAAMN CCCCCc1ccc(C(O)=C2[C@H](C(=O)c3ccc(OC)cc3)N3c4ccccc4C(C)=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000245245601 572217983 /nfs/dbraw/zinc/21/79/83/572217983.db2.gz DVJRTYAMBKNLET-YIJKKJBMSA-N 0 1 610.754 7.674 50 0 KKAAMN CC1=C[C@@H]2N(c3ccccc31)[C@H](C(=O)c1cccs1)C(=C(O)c1ccc(F)cc1)[C@]21C(=O)Nc2ccccc21 ZINC000245246042 572218368 /nfs/dbraw/zinc/21/83/68/572218368.db2.gz GKLRDEHHVUXRTM-CKXMCULTSA-N 0 1 534.612 6.133 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(=C(O)c2ccccc2Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000245246143 572218641 /nfs/dbraw/zinc/21/86/41/572218641.db2.gz JLXABJXTIHIMBM-UODPJZIASA-N 0 1 565.094 6.956 50 0 KKAAMN CCCCCc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3F)N3c4ccccc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245246109 572218726 /nfs/dbraw/zinc/21/87/26/572218726.db2.gz IRKBDBGPVWPMLQ-XGHZCBFSSA-N 0 1 584.691 7.415 50 0 KKAAMN Cc1ccc(C(=O)[C@@H]2C(=C(O)c3ccc(CC(C)C)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@@H]3C=C(C)c4cc(C)ccc4N32)cc1 ZINC000245246095 572218820 /nfs/dbraw/zinc/21/88/20/572218820.db2.gz HYIHZOXHVDKUTQ-VNLYVSNMSA-N 0 1 594.755 7.748 50 0 KKAAMN COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccc(C)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3C=C(C)c4ccccc4N32)c1 ZINC000245246121 572218885 /nfs/dbraw/zinc/21/88/85/572218885.db2.gz JAAFBTBVLKLPCL-CWDXJPQLSA-N 0 1 554.646 6.250 50 0 KKAAMN CC1=C[C@@H]2N(c3ccc(Cl)cc31)[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c1ccc(CC(C)C)cc1)[C@@]21C(=O)Nc2ccccc21 ZINC000245246414 572219410 /nfs/dbraw/zinc/21/94/10/572219410.db2.gz KXURFAPLYHJJQG-MSMWPWNWSA-N 0 1 581.156 7.517 50 0 KKAAMN CCCc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3c4ccc(C)cc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245246823 572219856 /nfs/dbraw/zinc/21/98/56/572219856.db2.gz PCDDREDJSVDBSH-DQGIEBHESA-N 0 1 552.674 6.804 50 0 KKAAMN COc1cccc(C(O)=C2[C@H](C(=O)c3ccccc3F)N3c4ccccc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000245309085 572227035 /nfs/dbraw/zinc/22/70/35/572227035.db2.gz ARHLRNPVGBBQBT-IANDGLOUSA-N 0 1 544.582 5.690 50 0 KKAAMN Cc1ccc2c(c1)N1[C@H](C=C2)[C@@]2(C(=O)Nc3ccccc32)C(=C(O)c2ccc(Cl)cc2)[C@H]1C(=O)c1ccccc1 ZINC000245309450 572227450 /nfs/dbraw/zinc/22/74/50/572227450.db2.gz CYUVEEDKXBYBAR-HEFUCBFLSA-N 0 1 545.038 6.505 50 0 KKAAMN Cc1ccc2c(c1)C(C)=C[C@@H]1N2[C@H](C(=O)c2cccs2)C(=C(O)c2ccccc2)[C@@]12C(=O)Nc1ccccc12 ZINC000245309772 572227569 /nfs/dbraw/zinc/22/75/69/572227569.db2.gz GEVDKQLPVVXEBG-UODPJZIASA-N 0 1 530.649 6.303 50 0 KKAAMN C[C@@H]1CN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(Cl)cc1 ZINC000245328435 572234901 /nfs/dbraw/zinc/23/49/01/572234901.db2.gz OLTYFLBAIKJLOR-XHCCPWGMSA-N 0 1 526.077 5.251 50 0 KKAAMN C[C@H]1CN(C(=O)CCN2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000245343787 572240258 /nfs/dbraw/zinc/24/02/58/572240258.db2.gz ZUBFLAGZJNQECR-XRHLQHRESA-N 0 1 596.577 5.453 50 0 KKAAMN O=C(NCc1ccc(Br)cc1)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247488279 572242597 /nfs/dbraw/zinc/24/25/97/572242597.db2.gz LLMGXIPNHFPWMU-HXUWFJFHSA-N 0 1 582.340 6.079 50 0 KKAAMN O=C(Nc1cccc(Cl)c1)[C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247480486 572242647 /nfs/dbraw/zinc/24/26/47/572242647.db2.gz ITFCHYHPQDLCQM-SFHVURJKSA-N 0 1 523.862 6.292 50 0 KKAAMN CSCC[C@@H]1N[C@@]2(c3ccccc3N(Cc3ccc(Cl)c(Cl)c3)C2=O)[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 ZINC000247518472 572242872 /nfs/dbraw/zinc/24/28/72/572242872.db2.gz KPXRSOBZIDDLJG-KCMDQZHASA-N 0 1 634.507 6.285 50 0 KKAAMN CSCC[C@@H]1N[C@@]2(c3ccccc3N(Cc3cccc4ccccc43)C2=O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000247543788 572243218 /nfs/dbraw/zinc/24/32/18/572243218.db2.gz SZPXDUXKOUOUOC-FOPHHFTASA-N 0 1 561.707 5.108 50 0 KKAAMN O=C(Nc1ccc(F)cc1)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247724770 572243822 /nfs/dbraw/zinc/24/38/22/572243822.db2.gz CYNIITRKXQWVPM-GOSISDBHSA-N 0 1 507.407 5.778 50 0 KKAAMN O=C(Nc1ccccc1Cl)[C@@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247744039 572244493 /nfs/dbraw/zinc/24/44/93/572244493.db2.gz PNGLQQSVNUALDV-GOSISDBHSA-N 0 1 523.862 6.292 50 0 KKAAMN O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247759695 572244970 /nfs/dbraw/zinc/24/49/70/572244970.db2.gz ZXVUQBALAWJPAL-KRWDZBQOSA-N 0 1 558.307 6.946 50 0 KKAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000247843261 572245929 /nfs/dbraw/zinc/24/59/29/572245929.db2.gz GEGYXXFPPKOILD-QFIPXVFZSA-N 0 1 592.969 6.002 50 0 KKAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2ccccc2Cl)CC1 ZINC000247839132 572245962 /nfs/dbraw/zinc/24/59/62/572245962.db2.gz DWNZHSXQBYYBMB-QFIPXVFZSA-N 0 1 592.969 6.002 50 0 KKAAMN O=C([C@H]1CCCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000247844073 572246005 /nfs/dbraw/zinc/24/60/05/572246005.db2.gz GJVFSMLZEQNNMY-QHCPKHFHSA-N 0 1 596.990 6.606 50 0 KKAAMN Cc1ccc(C)c(N2CCN(C(=O)[C@H]3CCCN(Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)c1 ZINC000247854193 572246511 /nfs/dbraw/zinc/24/65/11/572246511.db2.gz BWDHGCXQRRMCJV-MHZLTWQESA-N 0 1 556.154 5.916 50 0 KKAAMN O=C([C@@H]1CCCN(Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000247864520 572246892 /nfs/dbraw/zinc/24/68/92/572246892.db2.gz NZCXCVFOHKFAFN-RUZDIDTESA-N 0 1 572.551 5.344 50 0 KKAAMN 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508.910 5.286 50 0 KKAAMN COc1ccc2nc(N3CCOCC3)c([C@H]3CC(=O)Oc4cc(=O)c5c(O)c(-c6ccc(Cl)cc6)coc-5c43)cc2c1 ZINC000253414060 572288693 /nfs/dbraw/zinc/28/86/93/572288693.db2.gz WIRSKEVYAYYJDP-OAQYLSRUSA-N 0 1 585.012 5.653 50 0 KKAAMN O=C(OC(c1ccccc1)c1ccccc1)[C@@H]1[C@H](C(=O)c2ccc(F)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N21 ZINC000253487000 572290126 /nfs/dbraw/zinc/29/01/26/572290126.db2.gz CDZOTDFZTYOTMC-ZAVXRQLCSA-N 0 1 620.680 7.132 50 0 KKAAMN CCCc1ccc(N2CCN(C(=O)[C@H]3CCCN(Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)cc1 ZINC000253607449 572300975 /nfs/dbraw/zinc/30/09/75/572300975.db2.gz TWZQKTINXIAUQY-NDEPHWFRSA-N 0 1 570.181 6.251 50 0 KKAAMN CCCc1ccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)cc1 ZINC000253607448 572300980 /nfs/dbraw/zinc/30/09/80/572300980.db2.gz TWZQKTINXIAUQY-MUUNZHRXSA-N 0 1 570.181 6.251 50 0 KKAAMN O=c1cc2c(c3occ(-c4ccc(Cl)cc4)c([O-])c1-3)[C@@H](c1cc3cc4c(cc3[nH]c1=O)OCO4)CC(=O)O2 ZINC000253623783 572301699 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