smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(O)c2c(c1)C(=O)c1c(c(O)cc([O-])c1-c1c(O)cc(O)c3c1C(=O)c1cc(C)cc(O)c1C3=O)C2=O ZINC000005520028 565088738 /nfs/dbraw/zinc/08/87/38/565088738.db2.gz MQSXZQXHIJMNAF-UHFFFAOYSA-N -1 2 538.464 3.755 40 10 biogenic,in-vitro KHCBLM Cc1cc(O)c2c(c1)C(=O)c1c(c(O)cc(O)c1-c1c(O)cc(O)c3c1C(=O)c1cc(C)cc(O)c1C3=O)C2=O ZINC000005520028 565088716 /nfs/dbraw/zinc/08/87/16/565088716.db2.gz MQSXZQXHIJMNAF-UHFFFAOYSA-N -1 2 538.464 3.755 40 10 biogenic,in-vitro KHCBLM CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c([O-])c(Br)c3)C2=O)cc1 ZINC000009259923 553227953 /nfs/dbraw/zinc/22/79/53/553227953.db2.gz IGPNKOYCLXZTCE-NTUHNPAUSA-N -1 2 510.138 3.982 40 10 KHCBLM CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000059135482 554381520 /nfs/dbraw/zinc/38/15/20/554381520.db2.gz LRKQPRWCLMOZST-VGOFMYFVSA-N -1 2 507.268 3.957 40 10 KHCBLM CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCC(=O)[O-] ZINC000059135500 554381538 /nfs/dbraw/zinc/38/15/38/554381538.db2.gz GCBDTMOEBWNTIO-VGOFMYFVSA-N -1 2 507.268 3.957 40 10 KHCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCC(=O)[O-])c(Br)c3)C2=O)cc1 ZINC000100137158 554226958 /nfs/dbraw/zinc/22/69/58/554226958.db2.gz ANPIRLSNUCJZKX-MLPAPPSSSA-N -1 2 538.148 3.650 40 10 KHCBLM CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCC(=O)[O-])c(Br)c3)C2=O)cc1 ZINC000100159837 554234021 /nfs/dbraw/zinc/23/40/21/554234021.db2.gz KSJNWNJAWAOCNB-AUWJEWJLSA-N -1 2 552.175 3.904 40 10 KHCBLM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(-c3csc(NS(=O)(=O)c4ccc(NC(C)=O)cc4)n3)cs2)cc1 ZINC000101513551 554793345 /nfs/dbraw/zinc/79/33/45/554793345.db2.gz AFRYCIIWDSSNAT-UHFFFAOYSA-N -1 2 592.706 3.785 40 10 KHCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000103589199 555452442 /nfs/dbraw/zinc/45/24/42/555452442.db2.gz JGYSWLDORCEMJO-WLRTZDKTSA-N -1 2 523.723 3.549 40 10 KHCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000103842806 571362529 /nfs/dbraw/zinc/36/25/29/571362529.db2.gz IPRLQNGTCDVQGL-RGVLZGJSSA-N -1 2 530.489 3.758 40 10 KHCBLM CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc([N+](=O)[O-])cc(Br)c3[O-])C2=O)c1 ZINC000103843845 571362765 /nfs/dbraw/zinc/36/27/65/571362765.db2.gz QNAWGLWZGZNZEJ-RIYZIHGNSA-N -1 2 520.292 3.527 40 10 KHCBLM CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCC(=O)[O-])c(OCC)c3)C2=O)c1 ZINC000103844169 571362817 /nfs/dbraw/zinc/36/28/17/571362817.db2.gz MKKJFVYMTKLXSG-CXUHLZMHSA-N -1 2 577.384 3.775 40 10 KHCBLM O=C([O-])COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br ZINC000103858530 571366568 /nfs/dbraw/zinc/36/65/68/571366568.db2.gz IDEDHCAYDHDTQA-LFYBBSHMSA-N -1 2 558.566 3.995 40 10 KHCBLM O=C([O-])COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Cl ZINC000103858631 571366697 /nfs/dbraw/zinc/36/66/97/571366697.db2.gz JNIHQLPFGLHNSM-LFYBBSHMSA-N -1 2 514.115 3.886 40 10 KHCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000103859272 571367011 /nfs/dbraw/zinc/36/70/11/571367011.db2.gz LMBPGJUVAJWOSD-VGOFMYFVSA-N -1 2 523.723 3.631 40 10 KHCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000103859313 571367148 /nfs/dbraw/zinc/36/71/48/571367148.db2.gz JNBMHRJGNLWSGX-VGOFMYFVSA-N -1 2 568.174 3.740 40 10 KHCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCC(=O)[O-] ZINC000103859351 571367138 /nfs/dbraw/zinc/36/71/38/571367138.db2.gz DQAPCAFVYZROOG-VGOFMYFVSA-N -1 2 615.174 3.582 40 10 KHCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(Br)cc1OCC(=O)[O-] ZINC000103859406 571367107 /nfs/dbraw/zinc/36/71/07/571367107.db2.gz FNPHMDWUOKUANK-VGOFMYFVSA-N -1 2 568.174 3.740 40 10 KHCBLM COC(=O)Cc1[nH]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000103920106 571369720 /nfs/dbraw/zinc/36/97/20/571369720.db2.gz FRHGGASFEKVNGK-ULJHMMPZSA-N -1 2 553.597 3.753 40 10 KHCBLM COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000103920106 571369719 /nfs/dbraw/zinc/36/97/19/571369719.db2.gz FRHGGASFEKVNGK-ULJHMMPZSA-N -1 2 553.597 3.753 40 10 KHCBLM COc1ccc(S(=O)(=O)[N-]c2nc(-c3csc(NS(=O)(=O)c4ccc(OC)cc4)n3)cs2)cc1 ZINC000104814438 571386464 /nfs/dbraw/zinc/38/64/64/571386464.db2.gz YQJGODDDKAINRK-UHFFFAOYSA-N -1 2 538.654 3.885 40 10 KHCBLM COC(=O)Cc1[nH]n(-c2ccccc2)c(=O)c1C(C)=Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000112230137 571434056 /nfs/dbraw/zinc/43/40/56/571434056.db2.gz HTQRLGCRLGSERF-QJOMJCCJSA-N -1 2 523.571 3.744 40 10 KHCBLM COC(=O)CC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000112230137 571434055 /nfs/dbraw/zinc/43/40/55/571434055.db2.gz HTQRLGCRLGSERF-QJOMJCCJSA-N -1 2 523.571 3.744 40 10 KHCBLM COC(=O)Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000112232339 571434332 /nfs/dbraw/zinc/43/43/32/571434332.db2.gz RLNBBGAVPLCMDV-KQWNVCNZSA-N -1 2 541.561 3.883 40 10 KHCBLM COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000112232339 571434330 /nfs/dbraw/zinc/43/43/30/571434330.db2.gz RLNBBGAVPLCMDV-KQWNVCNZSA-N -1 2 541.561 3.883 40 10 KHCBLM CC(=Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1)C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C ZINC000112234418 571434606 /nfs/dbraw/zinc/43/46/06/571434606.db2.gz XFPCEUYRHGEXPS-BKUYFWCQSA-N -1 2 527.950 3.948 40 10 KHCBLM COC(=O)Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000112237944 571434951 /nfs/dbraw/zinc/43/49/51/571434951.db2.gz IHZGUFWAEQZQGO-KQWNVCNZSA-N -1 2 568.568 3.652 40 10 KHCBLM COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000112237944 571434950 /nfs/dbraw/zinc/43/49/50/571434950.db2.gz IHZGUFWAEQZQGO-KQWNVCNZSA-N -1 2 568.568 3.652 40 10 KHCBLM CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCC(=O)[O-])c(I)c3)C2=O)cc1 ZINC000150391842 571474111 /nfs/dbraw/zinc/47/41/11/571474111.db2.gz XDZURLVJQIQCCJ-AUWJEWJLSA-N -1 2 646.175 3.588 40 10 KHCBLM O=C(CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)Nc3cc([N+](=O)[O-])ccc3O)C2=O)SC1=S)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000150469653 571508892 /nfs/dbraw/zinc/50/88/92/571508892.db2.gz GNSKPKSLINTHLG-QURGRASLSA-N -1 2 706.762 3.984 40 10 KHCBLM CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCC(=O)[O-])c(I)c3)C2=O)c1 ZINC000164344048 571546154 /nfs/dbraw/zinc/54/61/54/571546154.db2.gz YJFPAZHLAPTCMZ-VGOFMYFVSA-N -1 2 706.227 3.823 40 10 KHCBLM O=C([O-])COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I ZINC000164451661 571548016 /nfs/dbraw/zinc/54/80/16/571548016.db2.gz CNIPWIGZRRKPPK-LFYBBSHMSA-N -1 2 650.017 3.946 40 10 KHCBLM O=C([O-])COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I ZINC000164457693 571548120 /nfs/dbraw/zinc/54/81/20/571548120.db2.gz VQPMNEIUZBQKFK-LFYBBSHMSA-N -1 2 697.017 3.788 40 10 KHCBLM O=C([O-])COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1I ZINC000164477822 571548891 /nfs/dbraw/zinc/54/88/91/571548891.db2.gz BPPYRJRMLAFMAK-UUILKARUSA-N -1 2 697.017 3.788 40 10 KHCBLM COc1ccc(N2C(=O)NC(=O)C(=Cc3cn(Cc4ccc(C(=O)[O-])o4)c4ccccc34)C2=O)c(OC)c1 ZINC000408540867 572207088 /nfs/dbraw/zinc/20/70/88/572207088.db2.gz CGSGROONFIAVRD-YBFXNURJSA-N -1 2 515.478 3.664 40 10 KHCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000408751604 1066567093 /nfs/dbraw/zinc/56/70/93/1066567093.db2.gz AIWHSGAUEZCNKM-AWNIVKPZSA-N -1 2 568.174 3.658 40 10 KHCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c(Br)cc1OCC(=O)[O-] ZINC000408751612 1066566983 /nfs/dbraw/zinc/56/69/83/1066566983.db2.gz ALDLZOXYPCGQJQ-AWNIVKPZSA-N -1 2 568.174 3.658 40 10 KHCBLM Cc1cc(N2C(=O)NC(=O)C(=Cc3cc(I)c([O-])c([N+](=O)[O-])c3)C2=O)ccc1Br ZINC000408751619 1066567159 /nfs/dbraw/zinc/56/71/59/1066567159.db2.gz AMYRMAZRWXISSL-VZUCSPMQSA-N -1 2 572.109 3.642 40 10 KHCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCC(=O)[O-] ZINC000408758652 1066568456 /nfs/dbraw/zinc/56/84/56/1066568456.db2.gz ONFKUCNBCYHBDB-VGOFMYFVSA-N -1 2 629.201 3.891 40 10 KHCBLM Cc1cc(N2C(=O)NC(=O)C(=Cc3cc(Br)c([O-])c([N+](=O)[O-])c3)C2=O)ccc1Br ZINC000408759150 1066568575 /nfs/dbraw/zinc/56/85/75/1066568575.db2.gz YSTPLOATSKQLQW-VZUCSPMQSA-N -1 2 525.109 3.800 40 10 KHCBLM Cc1cc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)[O-])c(Br)c3)C2=O)ccc1Br ZINC000408760754 1066567915 /nfs/dbraw/zinc/56/79/15/1066567915.db2.gz FMPGINUZECNPCR-NTUHNPAUSA-N -1 2 538.148 3.650 40 10 KHCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000408760854 1066568059 /nfs/dbraw/zinc/56/80/59/1066568059.db2.gz AFZBTQBMDYDGQM-AWNIVKPZSA-N -1 2 523.723 3.549 40 10 KHCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(I)c1OCC(=O)[O-] ZINC000408763336 1066570404 /nfs/dbraw/zinc/57/04/04/1066570404.db2.gz PDEKKMAABJISQF-AWNIVKPZSA-N -1 2 615.174 3.501 40 10 KHCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000408766789 1066210877 /nfs/dbraw/zinc/21/08/77/1066210877.db2.gz RVTONAQYYIXJCW-VGOFMYFVSA-N -1 2 537.750 3.939 40 10 KHCBLM O=C([O-])COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br ZINC000408770779 1066573040 /nfs/dbraw/zinc/57/30/40/1066573040.db2.gz AJQWYSCNVOGLHN-LFYBBSHMSA-N -1 2 558.566 3.995 40 10 KHCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCC(=O)[O-])c(I)c3)C2=O)cc1C ZINC000408773773 1066212088 /nfs/dbraw/zinc/21/20/88/1066212088.db2.gz XGQUUVQDGIMLMM-MKMNVTDBSA-N -1 2 646.175 3.642 40 10 KHCBLM Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCC(=O)[O-])c(Br)c3)C2=O)c1 ZINC000408775102 1066572050 /nfs/dbraw/zinc/57/20/50/1066572050.db2.gz YXDIGQUIWUWGTH-MKMNVTDBSA-N -1 2 507.724 3.849 40 10 KHCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OCC(=O)[O-] ZINC000408775678 1066212282 /nfs/dbraw/zinc/21/22/82/1066212282.db2.gz JWXRMHXJDONWCS-LZYBPNLTSA-N -1 2 517.332 3.594 40 10 KHCBLM O=C([O-])COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1I ZINC000408775970 1066212398 /nfs/dbraw/zinc/21/23/98/1066212398.db2.gz LJKOAALJLSSUTL-LFYBBSHMSA-N -1 2 652.566 3.679 40 10 KHCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000408776900 1066571461 /nfs/dbraw/zinc/57/14/61/1066571461.db2.gz SDGKEXWPKCTIFZ-VGOFMYFVSA-N -1 2 523.723 3.631 40 10 KHCBLM Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCC(=O)[O-])c(I)c3)C2=O)c1 ZINC000408777257 1066576732 /nfs/dbraw/zinc/57/67/32/1066576732.db2.gz XLZCRIAKWGMYOZ-MKMNVTDBSA-N -1 2 599.175 3.800 40 10 KHCBLM O=C([O-])c1ccc(COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)cc2I)cc1 ZINC000408778773 1066576069 /nfs/dbraw/zinc/57/60/69/1066576069.db2.gz KIKWJYLGSXTWEO-GIJQJNRQSA-N -1 2 612.332 3.964 40 10 KHCBLM CCc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(I)c(OCC(=O)[O-])c(I)c2)C1=O ZINC000408779539 1066576020 /nfs/dbraw/zinc/57/60/20/1066576020.db2.gz YCXIPOYTAKZOKF-NTUHNPAUSA-N -1 2 646.175 3.588 40 10 KHCBLM Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCC(=O)[O-])c(Br)c3)C2=O)c1 ZINC000408781725 1066213851 /nfs/dbraw/zinc/21/38/51/1066213851.db2.gz DFQVIJQZXRNNLX-MKMNVTDBSA-N -1 2 552.175 3.958 40 10 KHCBLM Cc1cccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCC(=O)[O-])c(I)c3)C2=O)c1C ZINC000408781791 1066575526 /nfs/dbraw/zinc/57/55/26/1066575526.db2.gz DSDFDVWKNMARDK-AWNIVKPZSA-N -1 2 646.175 3.642 40 10 KHCBLM O=C([O-])COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1I ZINC000408784470 1066577636 /nfs/dbraw/zinc/57/76/36/1066577636.db2.gz SWDSGKMDGSMAIE-LFYBBSHMSA-N -1 2 605.566 3.837 40 10 KHCBLM O=C([O-])COc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1I ZINC000408784583 1066213787 /nfs/dbraw/zinc/21/37/87/1066213787.db2.gz VFTKVGRIZCNONE-UUILKARUSA-N -1 2 652.566 3.679 40 10 KHCBLM O=C([O-])COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br ZINC000408785223 1066577232 /nfs/dbraw/zinc/57/72/32/1066577232.db2.gz UXUZVMKUKBYMOT-LFYBBSHMSA-N -1 2 514.115 3.886 40 10 KHCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1OCC(=O)[O-] ZINC000408786809 1066576528 /nfs/dbraw/zinc/57/65/28/1066576528.db2.gz NZCSYLJJUGHGDV-VGOFMYFVSA-N -1 2 523.723 3.631 40 10 KHCBLM COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408786901 1066576638 /nfs/dbraw/zinc/57/66/38/1066576638.db2.gz PDBVZWWOSJTESE-UHFFFAOYSA-N -1 2 510.138 3.549 40 10 KHCBLM COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)ccc1OCc1ccc(Br)cc1Br ZINC000408786901 1066576633 /nfs/dbraw/zinc/57/66/33/1066576633.db2.gz PDBVZWWOSJTESE-UHFFFAOYSA-N -1 2 510.138 3.549 40 10 KHCBLM Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCC(=O)[O-])c(I)c3)C2=O)c1 ZINC000408787888 1066579352 /nfs/dbraw/zinc/57/93/52/1066579352.db2.gz ANFXCJFBUQOMTE-MKMNVTDBSA-N -1 2 646.175 3.642 40 10 KHCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC000408808256 1066583286 /nfs/dbraw/zinc/58/32/86/1066583286.db2.gz DRWJLMAIEDXLRL-QGMBQPNBSA-N -1 2 507.886 3.841 40 10 KHCBLM CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCC(=O)[O-])c(I)c3)C2=O)c1 ZINC000408846615 1066593136 /nfs/dbraw/zinc/59/31/36/1066593136.db2.gz QOAZOCXCSQUWAM-VGOFMYFVSA-N -1 2 659.227 3.981 40 10 KHCBLM Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000408846808 1066593237 /nfs/dbraw/zinc/59/32/37/1066593237.db2.gz SEBJAEGTXDQVHN-QGMBQPNBSA-N -1 2 507.886 3.841 40 10 KHCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCC(=O)[O-])c(Br)c3)C2=O)cc1C ZINC000408847072 1066220647 /nfs/dbraw/zinc/22/06/47/1066220647.db2.gz MEMJWRAIKHVMCV-MKMNVTDBSA-N -1 2 507.724 3.849 40 10 KHCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(Br)cc1OCC(=O)[O-] ZINC000408847649 1066596274 /nfs/dbraw/zinc/59/62/74/1066596274.db2.gz NXAZSUQJSJTHJV-LZYBPNLTSA-N -1 2 517.332 3.594 40 10 KHCBLM COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4cccc(C(=O)[O-])c4)c(OC)c3)C2=O)cc1 ZINC000408847844 1066220598 /nfs/dbraw/zinc/22/05/98/1066220598.db2.gz SOCJZPNKZRVQBQ-FYJGNVAPSA-N -1 2 502.479 3.647 40 10 KHCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCC(=O)[O-])c(I)c3)C2=O)cc1C ZINC000408851458 1066222472 /nfs/dbraw/zinc/22/24/72/1066222472.db2.gz KBQNMXTWFONVHQ-MKMNVTDBSA-N -1 2 599.175 3.800 40 10 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CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000408933880 1066617614 /nfs/dbraw/zinc/61/76/14/1066617614.db2.gz BXJHKDUVRKNSAQ-KGENOOAVSA-N -1 2 550.545 3.526 40 10 KHCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408934596 1066235051 /nfs/dbraw/zinc/23/50/51/1066235051.db2.gz FFIWOUGJCWNEFI-FYJGNVAPSA-N -1 2 531.477 3.937 40 10 KHCBLM Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000408935918 1066234690 /nfs/dbraw/zinc/23/46/90/1066234690.db2.gz FDVGLEYHAWSWPU-DEDYPNTBSA-N -1 2 540.937 3.781 40 10 KHCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(I)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408935952 1066616280 /nfs/dbraw/zinc/61/62/80/1066616280.db2.gz FGMFVXHEVJWGFL-YBFXNURJSA-N -1 2 662.414 3.741 40 10 KHCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000408936408 1066615621 /nfs/dbraw/zinc/61/56/21/1066615621.db2.gz 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/nfs/dbraw/zinc/62/14/48/1066621448.db2.gz VBAGOABGKZXSEZ-OQLLNIDSSA-N -1 2 503.305 3.611 40 10 KHCBLM CCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1OC ZINC000408945613 1066620615 /nfs/dbraw/zinc/62/06/15/1066620615.db2.gz XCTXVNHTMAAJDO-OQLLNIDSSA-N -1 2 503.305 3.611 40 10 KHCBLM Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C(=O)[O-])cc4)C3=O)cc2Cl)cc1 ZINC000408946190 1066619815 /nfs/dbraw/zinc/61/98/15/1066619815.db2.gz YLGLCDSZRDGDJC-XDHOZWIPSA-N -1 2 540.937 3.781 40 10 KHCBLM Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000408946501 1066619874 /nfs/dbraw/zinc/61/98/74/1066619874.db2.gz YUCLYMHUTXOBAN-DEDYPNTBSA-N -1 2 585.388 3.890 40 10 KHCBLM O=C([O-])c1cccc(Cn2cc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c3ccccc32)c1 ZINC000408947907 1066240390 /nfs/dbraw/zinc/24/03/90/1066240390.db2.gz DNEZJRNFGPCMKE-SRZZPIQSSA-N -1 2 509.474 3.783 40 10 KHCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000408953223 1066637380 /nfs/dbraw/zinc/63/73/80/1066637380.db2.gz PFVZXSCKUSFQNS-QGMBQPNBSA-N -1 2 642.358 3.972 40 10 KHCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1cccc(C(=O)[O-])c1 ZINC000408954617 1066636750 /nfs/dbraw/zinc/63/67/50/1066636750.db2.gz RYAAZSGVXYFVGI-QGMBQPNBSA-N -1 2 642.358 3.972 40 10 KHCBLM COc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccc(C(=O)[O-])cc3)C2=O)c(OC)c1 ZINC000408959570 1066640110 /nfs/dbraw/zinc/64/01/10/1066640110.db2.gz BDJAZIQNEWMOQI-DEDYPNTBSA-N -1 2 502.479 3.647 40 10 KHCBLM Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc(I)cc(Br)c3OCC(=O)[O-])C2=O)c1 ZINC000408962648 1066639373 /nfs/dbraw/zinc/63/93/73/1066639373.db2.gz IXESEACDRAHAFJ-VIZOYTHASA-N -1 2 599.175 3.800 40 10 KHCBLM O=C([O-])COc1c(Br)cc(I)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000408964784 1066639361 /nfs/dbraw/zinc/63/93/61/1066639361.db2.gz SDNBOYHCKMDGEK-AWNIVKPZSA-N -1 2 605.566 3.837 40 10 KHCBLM COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C2=O)c(OC)c1 ZINC000408965479 1066639448 /nfs/dbraw/zinc/63/94/48/1066639448.db2.gz HWPNRWANKBBVFT-UDWIEESQSA-N -1 2 532.505 3.656 40 10 KHCBLM O=C([O-])COc1c(Br)cc(I)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000408967730 1066244405 /nfs/dbraw/zinc/24/44/05/1066244405.db2.gz XIAFPSXWAKCKPK-AWNIVKPZSA-N -1 2 650.017 3.946 40 10 KHCBLM CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000408982064 1066245549 /nfs/dbraw/zinc/24/55/49/1066245549.db2.gz FLJYQXVGSANAJC-SXGWCWSVSA-N -1 2 517.332 3.540 40 10 KHCBLM CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCC(=O)[O-])c(I)c3)C2=O)cc1 ZINC000408983903 1066650098 /nfs/dbraw/zinc/65/00/98/1066650098.db2.gz ODGARYNYEYHMMZ-AUWJEWJLSA-N -1 2 599.175 3.746 40 10 KHCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCC(=O)[O-])c(I)c3)C2=O)cc1Cl ZINC000408984385 1066650307 /nfs/dbraw/zinc/65/03/07/1066650307.db2.gz QIXMDDNLOSIPAF-QCDXTXTGSA-N -1 2 666.593 3.987 40 10 KHCBLM COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1OCC(=O)[O-] ZINC000408985446 1066649342 /nfs/dbraw/zinc/64/93/42/1066649342.db2.gz WWEJEKKQIQUYBB-ACAGNQJTSA-N -1 2 523.723 3.549 40 10 KHCBLM COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000408985520 1066648539 /nfs/dbraw/zinc/64/85/39/1066648539.db2.gz XFGYJSLQFQKNPW-ACAGNQJTSA-N -1 2 523.723 3.549 40 10 KHCBLM CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000408985710 1066247011 /nfs/dbraw/zinc/24/70/11/1066247011.db2.gz XXXMLWUIUSUMCL-NSIKDUERSA-N -1 2 537.750 3.939 40 10 KHCBLM Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c([O-])c([N+](=O)[O-])c3)C2=O)cc1Cl ZINC000408990376 1066656955 /nfs/dbraw/zinc/65/69/55/1066656955.db2.gz XFZXCHQDTXPFRN-WCIBSUBMSA-N -1 2 527.658 3.533 40 10 KHCBLM O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(Sc3ccc(/C=C4\C(=O)[N-]C(=O)NC4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408992987 1066654915 /nfs/dbraw/zinc/65/49/15/1066654915.db2.gz UINPCIDONJOQBU-GASCZTMLSA-N -1 2 577.600 3.785 40 10 KHCBLM O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(Sc3ccc(/C=C4/C(=O)[N-]C(=O)NC4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408992987 1066654910 /nfs/dbraw/zinc/65/49/10/1066654910.db2.gz UINPCIDONJOQBU-GASCZTMLSA-N -1 2 577.600 3.785 40 10 KHCBLM O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(Sc3ccc(/C=C4\C(=O)[N-]C(=O)NC4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408992988 1066248319 /nfs/dbraw/zinc/24/83/19/1066248319.db2.gz UINPCIDONJOQBU-GJZGRUSLSA-N -1 2 577.600 3.785 40 10 KHCBLM O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(Sc3ccc(/C=C4/C(=O)[N-]C(=O)NC4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408992988 1066248299 /nfs/dbraw/zinc/24/82/99/1066248299.db2.gz UINPCIDONJOQBU-GJZGRUSLSA-N -1 2 577.600 3.785 40 10 KHCBLM O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc2nc(Sc3ccc(/C=C4\C(=O)[N-]C(=O)NC4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408992990 1066654876 /nfs/dbraw/zinc/65/48/76/1066654876.db2.gz UINPCIDONJOQBU-HUUCEWRRSA-N -1 2 577.600 3.785 40 10 KHCBLM O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc2nc(Sc3ccc(/C=C4/C(=O)[N-]C(=O)NC4=O)cc3[N+](=O)[O-])sc2c1 ZINC000408992990 1066654871 /nfs/dbraw/zinc/65/48/71/1066654871.db2.gz UINPCIDONJOQBU-HUUCEWRRSA-N -1 2 577.600 3.785 40 10 KHCBLM COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409007286 1066666065 /nfs/dbraw/zinc/66/60/65/1066666065.db2.gz NMOWHEWJJHWMET-UHFFFAOYSA-N -1 2 529.593 3.930 40 10 KHCBLM COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409007286 1066666064 /nfs/dbraw/zinc/66/60/64/1066666064.db2.gz NMOWHEWJJHWMET-UHFFFAOYSA-N -1 2 529.593 3.930 40 10 KHCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000409042637 1066690107 /nfs/dbraw/zinc/69/01/07/1066690107.db2.gz NWBJMWPWHXRNLK-NTUHNPAUSA-N -1 2 537.750 3.939 40 10 KHCBLM O=C([O-])COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1Br ZINC000409044134 1066688733 /nfs/dbraw/zinc/68/87/33/1066688733.db2.gz AZDWCJKTXUMMOP-VZUCSPMQSA-N -1 2 514.115 3.886 40 10 KHCBLM O=C([O-])COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000409045119 1066688154 /nfs/dbraw/zinc/68/81/54/1066688154.db2.gz FOMHPTIOMSCPKS-WUXMJOGZSA-N -1 2 514.115 3.886 40 10 KHCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000409045613 1066259225 /nfs/dbraw/zinc/25/92/25/1066259225.db2.gz GQQQDFMPHZXRQS-MKMNVTDBSA-N -1 2 523.723 3.631 40 10 KHCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(I)c1OCC(=O)[O-] ZINC000409046313 1066687376 /nfs/dbraw/zinc/68/73/76/1066687376.db2.gz JZIZWNQNXYVPRA-NTUHNPAUSA-N -1 2 584.750 3.782 40 10 KHCBLM CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCC(=O)[O-] ZINC000409047338 1066694847 /nfs/dbraw/zinc/69/48/47/1066694847.db2.gz OIAOGPBNTUICPN-HMAPJEAMSA-N -1 2 516.506 3.794 40 10 KHCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000409049180 1066698629 /nfs/dbraw/zinc/69/86/29/1066698629.db2.gz VLDAFIJLLUGJBY-KPKJPENVSA-N -1 2 523.723 3.631 40 10 KHCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000409049487 1066694803 /nfs/dbraw/zinc/69/48/03/1066694803.db2.gz XCHLNYBAMJAFAT-MKMNVTDBSA-N -1 2 537.750 3.939 40 10 KHCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000409049731 1066697931 /nfs/dbraw/zinc/69/79/31/1066697931.db2.gz YCCFXLRDBQJBDP-NYYWCZLTSA-N -1 2 544.141 3.894 40 10 KHCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(I)c1OCC(=O)[O-] ZINC000409050137 195498377 /nfs/dbraw/zinc/49/83/77/195498377.db2.gz ZHRHYCCDBDQCLU-NYYWCZLTSA-N -1 2 591.141 3.736 40 10 KHCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000409053273 1066258913 /nfs/dbraw/zinc/25/89/13/1066258913.db2.gz BQFXKXRNUBDESQ-WUXMJOGZSA-N -1 2 523.723 3.549 40 10 KHCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(I)c1OCC(=O)[O-] ZINC000409056941 1066259662 /nfs/dbraw/zinc/25/96/62/1066259662.db2.gz NRQTWYAEIAOGQG-MKMNVTDBSA-N -1 2 584.750 3.782 40 10 KHCBLM O=C([O-])COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Br ZINC000409065708 1066701222 /nfs/dbraw/zinc/70/12/22/1066701222.db2.gz IXTPFUZUFNPXPK-UUILKARUSA-N -1 2 558.566 3.995 40 10 KHCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409067849 1066708577 /nfs/dbraw/zinc/70/85/77/1066708577.db2.gz QEXGWLREPBKZJM-FYJGNVAPSA-N -1 2 502.479 3.735 40 10 KHCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409070258 1066707305 /nfs/dbraw/zinc/70/73/05/1066707305.db2.gz FCBZQHHKKOWUQF-HYARGMPZSA-N -1 2 544.516 3.816 40 10 KHCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409070585 1066706330 /nfs/dbraw/zinc/70/63/30/1066706330.db2.gz CJDPRHYQZCOOAI-VXLYETTFSA-N -1 2 614.348 3.949 40 10 KHCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409070587 1066706968 /nfs/dbraw/zinc/70/69/68/1066706968.db2.gz CJISYKZEAICOOZ-RGVLZGJSSA-N -1 2 517.450 3.547 40 10 KHCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409071202 1066706574 /nfs/dbraw/zinc/70/65/74/1066706574.db2.gz IOLVTRDIZCOIHZ-FYJGNVAPSA-N -1 2 531.477 3.937 40 10 KHCBLM CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409072729 1066705923 /nfs/dbraw/zinc/70/59/23/1066705923.db2.gz DCDSDMMACJBAPT-CIAFOILYSA-N -1 2 531.477 3.937 40 10 KHCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000409073022 1066705337 /nfs/dbraw/zinc/70/53/37/1066705337.db2.gz WUVHOAWUZUHSCF-UDWIEESQSA-N -1 2 517.450 3.547 40 10 KHCBLM O=C([O-])COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1Br ZINC000409073078 1066705121 /nfs/dbraw/zinc/70/51/21/1066705121.db2.gz XCQBMVZTTYIEPK-BJMVGYQFSA-N -1 2 558.566 3.995 40 10 KHCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1OCc1ccc(C(=O)[O-])cc1 ZINC000409075857 1066704490 /nfs/dbraw/zinc/70/44/90/1066704490.db2.gz YPBRWLLAVFBLFS-VXLYETTFSA-N -1 2 522.897 3.998 40 10 KHCBLM O=C1[N-]C(=O)/C(=C/c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)C(=O)N1 ZINC000409184217 1066758212 /nfs/dbraw/zinc/75/82/12/1066758212.db2.gz FTPBXKHLLAVYHX-UHFFFAOYSA-N -1 2 534.377 3.727 40 10 KHCBLM O=C1[N-]C(=O)/C(=C\c2ccc(CN(Cc3ccc(Cl)cc3)S(=O)(=O)c3ccc(Cl)cc3)o2)C(=O)N1 ZINC000409184217 1066758201 /nfs/dbraw/zinc/75/82/01/1066758201.db2.gz FTPBXKHLLAVYHX-UHFFFAOYSA-N -1 2 534.377 3.727 40 10 KHCBLM COc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OC)c3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000409187619 1066763045 /nfs/dbraw/zinc/76/30/45/1066763045.db2.gz SOBQAXRVHHUMOE-KGENOOAVSA-N -1 2 502.479 3.647 40 10 KHCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409384469 1066816917 /nfs/dbraw/zinc/81/69/17/1066816917.db2.gz CMLKWIHMDXPDNW-RQZCQDPDSA-N -1 2 541.310 3.994 40 10 KHCBLM COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409384722 1066816175 /nfs/dbraw/zinc/81/61/75/1066816175.db2.gz CXKDZJSJMUHCAN-LICLKQGHSA-N -1 2 541.310 3.994 40 10 KHCBLM CCOc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])o4)c(OC)c3)C2=O)c1 ZINC000409385839 1066815723 /nfs/dbraw/zinc/81/57/23/1066815723.db2.gz NFLGMRLABLZLIM-YBFXNURJSA-N -1 2 506.467 3.631 40 10 KHCBLM CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C(=O)[O-])o4)c(OC)c3)C2=O)cc1 ZINC000409386295 1066815035 /nfs/dbraw/zinc/81/50/35/1066815035.db2.gz RYOPBQGPORYGQC-XDHOZWIPSA-N -1 2 506.467 3.631 40 10 KHCBLM COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409398417 1066829366 /nfs/dbraw/zinc/82/93/66/1066829366.db2.gz ANNWMLWWSLASKP-AAIQCTMTSA-N -1 2 540.164 3.534 40 10 KHCBLM COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1O[C@H](C)C(=O)[O-] ZINC000409398418 1066829467 /nfs/dbraw/zinc/82/94/67/1066829467.db2.gz ANNWMLWWSLASKP-GARZTLJTSA-N -1 2 540.164 3.534 40 10 KHCBLM CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1OCC(=O)[O-] ZINC000409399055 1066286548 /nfs/dbraw/zinc/28/65/48/1066286548.db2.gz FNSDIKRFKDTZRC-JYRVWZFOSA-N -1 2 540.164 3.535 40 10 KHCBLM C[C@H](Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br)C(=O)[O-] ZINC000409399073 1066828342 /nfs/dbraw/zinc/82/83/42/1066828342.db2.gz FRLWMJWVQVKVCA-BNDQCTAISA-N -1 2 510.138 3.525 40 10 KHCBLM C[C@@H](Oc1c(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br)C(=O)[O-] ZINC000409399076 1066828383 /nfs/dbraw/zinc/82/83/83/1066828383.db2.gz FRLWMJWVQVKVCA-QVASGMJFSA-N -1 2 510.138 3.525 40 10 KHCBLM CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1O[C@@H](C)C(=O)[O-] ZINC000409399255 1066828316 /nfs/dbraw/zinc/82/83/16/1066828316.db2.gz HEEVFXFQTBCHGS-HOXUKUGESA-N -1 2 554.191 3.924 40 10 KHCBLM CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Br)c1O[C@H](C)C(=O)[O-] ZINC000409399256 1066828356 /nfs/dbraw/zinc/82/83/56/1066828356.db2.gz HEEVFXFQTBCHGS-RLIURORJSA-N -1 2 554.191 3.924 40 10 KHCBLM CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1O[C@@H](C)C(=O)[O-] ZINC000409400089 1066826265 /nfs/dbraw/zinc/82/62/65/1066826265.db2.gz ORGCOAPNNVLCHC-HOXUKUGESA-N -1 2 509.740 3.815 40 10 KHCBLM CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1O[C@H](C)C(=O)[O-] ZINC000409400090 1066826277 /nfs/dbraw/zinc/82/62/77/1066826277.db2.gz ORGCOAPNNVLCHC-RLIURORJSA-N -1 2 509.740 3.815 40 10 KHCBLM