smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CN1CCC(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 216921340 UKRJFEJQEPMUSG-UHFFFAOYSA-N 321.635 3.927 70 40 DHIB Cc1cc(OCC(=O)NCc2ccccc2)c2cccc(C)c2n1 217445352 UMWOQNZLKBVTOZ-UHFFFAOYSA-N 320.392 3.547 70 40 DHIB Nc1nc2cc(Cc3ccc4sc(N)nc4c3)ccc2s1 216760019 XRGPUKYIWZOAGG-UHFFFAOYSA-N 312.423 3.661 70 40 DHIB O=C(Cc1cccs1)NCc1cncc(-c2ccsc2)c1 217690572 VVCALKDFKAMQDF-UHFFFAOYSA-N 314.435 3.731 70 40 DHIB C[C@@H](NC(=O)CC1CCN(C)CC1)c1ccc(C(C)(C)C)cc1 216898633 SMKBMUWOJRZJKP-OAHLLOKOSA-N 316.489 3.893 70 40 DHIB Cc1ccc(NC(=O)NCC[C@@H](O)c2ccsc2)cc1C 217545776 JVKYNMASVJSCEW-OAHLLOKOSA-N 304.415 3.610 70 40 DHIB O=C(/C=C/c1ccc(Cl)cc1)NCCSCc1ccco1 217957229 OZXAVXDQGBWYCR-VMPITWQZSA-N 321.829 3.996 70 40 DHIB O=S(=O)(Cl)c1cccc(COc2ccc(Cl)cc2)c1 103603347 IULSDJVADNJYFV-UHFFFAOYSA-N 317.193 3.847 70 40 DHIB O=C(/C=C/c1ccoc1)NCC1(c2ccsc2)CCCC1 217583111 ISBSSRKOHPJVCQ-ONEGZZNKSA-N 301.411 3.983 70 40 DHIB COCc1csc(NC(=O)N2C[C@H](C)[C@H]2c2ccccc2)n1 161364607 SQECJIZRJPPUDA-FZMZJTMJSA-N 317.414 3.514 70 40 DHIB CSc1ncccc1C(=O)N1CCS[C@@H]1c1ccsc1 217635931 BNIFSQOCIZQFPO-CQSZACIVSA-N 322.480 3.753 70 40 DHIB COC(=O)c1nn(-c2ccccc2)c2c1[C@H]1CC[C@@]2(C)C1(C)C 217602770 RILGKAWFNYNOBN-BFUOFWGJSA-N 310.397 3.834 70 40 DHIB Cc1ccc([C@H](NC(=O)[C@@H]2CCCN(C)C2)c2ccccc2)cc1 216915492 TUFWIVGSMPBYJX-WOJBJXKFSA-N 322.452 3.542 70 40 DHIB CCOc1cc(C(=O)OC)ccc1OCc1ccc(F)cc1 216821345 GAZAQXMONZVCIL-UHFFFAOYSA-N 304.317 3.590 70 40 DHIB CCCOc1ccc2c(c1)c(C(=O)OCC)c(C)n2CCOC 217761128 NIVUUFLYIOHMHF-UHFFFAOYSA-N 319.401 3.562 70 40 DHIB CC(C)(C)c1ccc(C(=O)NCC[C@@H](O)c2ccsc2)cc1 217529556 YSPCOBRYTUWPKK-MRXNPFEDSA-N 317.454 3.899 70 40 DHIB CC(C)(C)[SiH2]OC(C)(C)c1ccnc(NC(=O)C(C)(C)C)c1 226391253 XUJDKHPHMBIMRL-UHFFFAOYSA-N 322.525 3.620 70 40 DHIB COc1cccc(C(=O)NCC2(c3ccsc3)CCCC2)c1 217480211 PSAHVDXYKRYBRD-UHFFFAOYSA-N 315.438 3.999 70 40 DHIB CCOC(=O)c1c(C)n(CCOC)c2ccc(OC(C)C)cc12 217762087 POYCFEFDDFROOV-UHFFFAOYSA-N 319.401 3.560 70 40 DHIB COC(=O)c1c(C)n(C(=O)c2ccccc2C)c2ccccc12 216949837 FMIPYWJZKUGDBU-UHFFFAOYSA-N 307.349 3.733 70 40 DHIB Cc1noc(-c2ccsc2NC(=O)/C=C/c2cccs2)n1 217647665 KCUGOIYYAAPBCL-SNAWJCMRSA-N 317.395 3.820 70 40 DHIB Cc1ccccc1NC(=O)NC[C@@](C)(O)c1cc2ccccc2o1 218004242 DMQUMMOXFZTJKQ-LJQANCHMSA-N 324.380 3.770 70 40 DHIB COc1cccc(CCCNC(=S)Nc2ccccc2)c1 217935183 CGXHRMAPEZSBLE-UHFFFAOYSA-N 300.427 3.614 70 40 DHIB Cc1ccccc1OC[C@@H](C)NC(=O)Cc1ccc(Cl)cc1 218529266 ITLGQKZWRRIYDN-CQSZACIVSA-N 317.816 3.775 70 40 DHIB CC(C)c1cc(S(=O)(=O)Cl)ccc1OCC(F)(F)F 59148110 YNYUQFJOLJXINT-UHFFFAOYSA-N 316.728 3.679 70 40 DHIB O=S(=O)(Cl)c1c(C(F)(F)F)ccc(Cl)c1Cl 103626005 JLSGPKFWKCOIAN-UHFFFAOYSA-N 313.511 3.940 70 40 DHIB COc1cccc(CCCNC(=O)/C=C/c2ccc(F)cc2)c1 217911142 OEEQGJOOGGKDEQ-FMIVXFBMSA-N 313.372 3.597 70 40 DHIB O=S(=O)(C1CCCCC1)N1CCCC[C@H](c2ccccc2)C1 217288543 ZJMVUBOGFIHLHD-KRWDZBQOSA-N 321.486 3.919 70 40 DHIB COc1ccccc1-n1ccc([C@@H]2OCCN2Cc2ccco2)c1 216746715 YCLLUKYTZWPSNE-IBGZPJMESA-N 324.380 3.610 70 40 DHIB Cc1cc(OCC(=O)Nc2ccccc2)c2cccc(C)c2n1 217444598 SRKBTGNYKHIHIX-UHFFFAOYSA-N 306.365 3.869 70 40 DHIB Cc1ccc(CCC(=O)NCCCN(C)c2ccccc2)cc1 218537591 XWEDOHSDOLGDQV-UHFFFAOYSA-N 310.441 3.570 70 40 DHIB Brc1cccc(Cn2ccc(-c3ccncc3)n2)c1 216695326 WVMQPQBZHGZREE-UHFFFAOYSA-N 314.186 3.756 70 40 DHIB Cc1cccc(-n2ccc([C@H]3OCCN3Cc3ccco3)c2)c1 216745529 OXEMDIQGYVTDHN-LJQANCHMSA-N 308.381 3.910 70 40 DHIB COc1ccccc1CCCNC(=O)c1ccccc1Cl 217846317 VKAFHZNMMSXHPS-UHFFFAOYSA-N 303.789 3.711 70 40 DHIB Cc1ccc(CCC(=O)N[C@@H](C)COc2ccccc2C)cc1 218534411 PMCRIRBCDLDJKU-KRWDZBQOSA-N 311.425 3.820 70 40 DHIB O=C(NCC[C@@H](O)c1ccsc1)c1cccc2ccccc12 217529164 PSQJGORSWXFLMA-QGZVFWFLSA-N 311.406 3.755 70 40 DHIB CCc1nc(CN[C@@H](c2ccc(F)cc2F)C(C)(C)C)n[nH]1 160502880 RQJKVUIRQCLBRM-HNNXBMFYSA-N 308.376 3.522 70 40 DHIB Cc1ccc(OC[C@H](C)NC(=O)CSc2ccccc2)cc1 217972184 LSOCTGYKOCPKLX-HNNXBMFYSA-N 315.438 3.671 70 40 DHIB NC(=O)c1cn(C(=O)c2cccc3ccccc23)c2ccccc12 216950926 OCKUTEVVBXMFPZ-UHFFFAOYSA-N 314.344 3.582 70 40 DHIB CO[C@H](CNC(=O)Nc1cccs1)c1ccccc1Cl 218353294 NAVCHROZKIKSMT-GFCCVEGCSA-N 310.806 3.911 70 40 DHIB COc1ccc([C@@H]2SCCN2C(=O)/C=C/c2ccco2)cc1 217628084 XUMNNVJWTBQKRF-IJDCCNJMSA-N 315.394 3.576 70 40 DHIB CSc1ccccc1C(=O)N[C@H](C)COc1ccc(C)cc1 218192248 QNGXRDSAOJTQEL-CQSZACIVSA-N 315.438 3.914 70 40 DHIB CCN1C(=O)CS[C@@H]1c1ccn(-c2ccccc2Cl)c1 216707276 HSQVINMZGROUBE-OAHLLOKOSA-N 306.818 3.725 70 40 DHIB COc1cccc([C@@H]2SCCN2C(=O)c2ccccc2C)c1 217637167 HZCMJMHUEZJIAR-SFHVURJKSA-N 313.422 3.891 70 40 DHIB CCOC1=CO[C@@](CO[Si](F)(CC)CC)(OCC)CC1 195793185 GUBQJYICTNLIHK-AWEZNQCLSA-N 306.450 3.876 70 40 DHIB CCCCOc1ccc(C(=O)Nc2ccn3nccc3c2)cc1 217952970 YVUFOJHRAPZZNI-UHFFFAOYSA-N 309.369 3.766 70 40 DHIB COc1ccccc1/C=C/C(=O)NCCCc1ccc(F)cc1 217964875 AKOAJRHCZCXWGF-JLHYYAGUSA-N 313.372 3.597 70 40 DHIB O=C(NCc1ccccc1)[C@@]12C[C@@H]3C[C@@H](C[C@@](Cl)(C3)C1)C2 217759108 QJUSYSOJRKPOAM-YJEJQGFLSA-N 303.833 3.881 70 40 DHIB COc1ccc(CCCNC(=O)/C=C/c2ccc(C)cc2)cc1 218178094 QVXIEPWOTCNPJX-SDNWHVSQSA-N 309.409 3.766 70 40 DHIB CCN1C(=O)CS[C@@H]1c1ccn(-c2ccc(Cl)cc2)c1 216707493 VGIZFDKYEDPRKY-OAHLLOKOSA-N 306.818 3.725 70 40 DHIB [SiH3]CCCCCCCCCCCI 238678916 XOBMCSVVIIIYKX-UHFFFAOYSA-N 312.311 3.716 70 40 DHIB COc1ccccc1CCCNC(=O)CCc1ccc(C)cc1 218533084 CXJIYSCGRLPGEF-UHFFFAOYSA-N 311.425 3.685 70 40 DHIB COc1cccc(-n2ccc([C@@H]3OCCN3Cc3ccco3)c2)c1 216746254 MNYPTSWOJXGGLZ-IBGZPJMESA-N 324.380 3.610 70 40 DHIB Cc1ccc([C@@H](NC(=O)[C@@H]2CCCN(C)C2)c2ccccc2)cc1 216915466 TUFWIVGSMPBYJX-UXHICEINSA-N 322.452 3.542 70 40 DHIB CC(C)COc1ccc(C(C)(C)C)cc1S(=O)(=O)Cl 110749409 RCECDXAMDGRTCS-UHFFFAOYSA-N 304.839 3.946 70 40 DHIB Cc1ccc(-n2ccc([C@H]3OCCN3Cc3ccco3)c2)cc1 216745643 PFEPOROVEZLTRB-LJQANCHMSA-N 308.381 3.910 70 40 DHIB COc1ccccc1CCCNC(=O)Cc1ccc(Cl)cc1 218528431 WAFYLDVNKBUYHN-UHFFFAOYSA-N 317.816 3.640 70 40 DHIB Brc1cccc(Cn2ccc(-c3ccco3)n2)c1 216691163 HARHJENLENPJMF-UHFFFAOYSA-N 303.159 3.954 70 40 DHIB CSc1ccccc1C(=O)N[C@@H](C)COc1ccc(C)cc1 218192154 QNGXRDSAOJTQEL-AWEZNQCLSA-N 315.438 3.914 70 40 DHIB COc1cccc([C@H]2SCCN2C(=O)c2ccsc2)c1 217636891 PCBVALUEYWVUCQ-OAHLLOKOSA-N 305.424 3.645 70 40 DHIB CCc1ncnc(N[C@H]2CCO[C@@H](c3ccccc3)C2)c1F 160640758 FHIAGZGEPJDCHT-DZGCQCFKSA-N 301.365 3.510 70 40 DHIB O=C(/C=C\c1ccc(S(=O)(=O)Cl)s1)c1ccccc1 100322631 WMGRSYDWDSOZQG-VURMDHGXSA-N 312.799 3.572 70 40 DHIB Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(Cl)cc2)cc1 217849467 JZIOPHLFVOMMDN-CYBMUJFWSA-N 303.789 3.846 70 40 DHIB ClC=P(c1ccccc1)(c1ccccc1)c1ccccc1 104377007 KIZBYQRDCHVQID-UHFFFAOYSA-N 310.764 3.979 70 40 DHIB COc1ccc(CCCNC(=S)Nc2ccccc2)cc1 217935297 HMGWLXNSXBIZKE-UHFFFAOYSA-N 300.427 3.614 70 40 DHIB CCCC(=O)N1CCC[C@H](c2nnc(-c3ccccc3C)o2)C1 216647260 HXVFGDDDWNNCQQ-AWEZNQCLSA-N 313.401 3.551 70 40 DHIB Cc1ccccc1NC(=O)NC[C@](C)(O)c1cc2ccccc2o1 218004148 DMQUMMOXFZTJKQ-IBGZPJMESA-N 324.380 3.770 70 40 DHIB Cc1cccc(O[C@@H](C)C(=O)NCCCc2ccc(F)cc2)c1 218684048 DEZYISBOECWLGH-HNNXBMFYSA-N 315.388 3.650 70 40 DHIB [N-]=[N+]=NC(=O)c1cccn(Cc2c(Cl)cccc2Cl)c1=O 12338583 VHDPOPBDNYJWQU-UHFFFAOYSA-N 323.139 3.654 70 40 DHIB Cc1cccc(O[C@H](C)C(=O)NCCCc2ccc(F)cc2)c1 218684121 DEZYISBOECWLGH-OAHLLOKOSA-N 315.388 3.650 70 40 DHIB Cc1cccc([C@@H](NC(=O)[C@@H]2CCCN(C)C2)c2ccccc2)c1 216918709 FIOMOFPYXWBSGX-UXHICEINSA-N 322.452 3.542 70 40 DHIB O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccn2nccc2c1 217957569 VCPSUCSAQPLPHF-UHFFFAOYSA-N 319.286 3.534 70 40 DHIB O=C(/C=C/c1ccc(S(=O)(=O)Cl)s1)c1ccccc1 95697852 WMGRSYDWDSOZQG-SOFGYWHQSA-N 312.799 3.572 70 40 DHIB CCc1ncnc(N[C@@H]2CCO[C@H](c3ccccc3)C2)c1F 160640424 FHIAGZGEPJDCHT-HIFRSBDPSA-N 301.365 3.510 70 40 DHIB COCc1csc(NC(=O)N2C[C@H](C)[C@@H]2c2ccccc2)n1 161364875 SQECJIZRJPPUDA-SMDDNHRTSA-N 317.414 3.514 70 40 DHIB CN1CCC(CC(=O)NC(c2ccccc2)c2ccccc2)CC1 216897540 AJRGWWHJUMYWQD-UHFFFAOYSA-N 322.452 3.624 70 40 DHIB O=S(=O)(Cl)c1ccc2cc(Br)ccc2c1 97972443 RDKORFDRILIBOL-UHFFFAOYSA-N 305.580 3.530 70 40 DHIB CCOC(=O)c1ccccc1NC(=O)Nc1cccc(OC)c1 217273212 JRMUZASCDFPBSA-UHFFFAOYSA-N 314.341 3.516 70 40 DHIB CCc1ccc(C(=O)Oc2c(C)cc(C(=O)OC)cc2C)cc1 216726325 WYCYHQDSXLXJFJ-UHFFFAOYSA-N 312.365 3.872 70 40 DHIB Cc1ccc([C@@H](NC(=O)C2CCN(C)CC2)c2ccccc2)cc1 216923086 AGNQGSGJEZUBIH-FQEVSTJZSA-N 322.452 3.542 70 40 DHIB Fc1ccc(-n2ccc([C@@H]3OCCN3Cc3ccco3)c2)cc1 216746147 CUKPKGLTVRIXLQ-SFHVURJKSA-N 312.344 3.740 70 40 DHIB O=S(=O)(Cl)c1nc(-c2ccccc2)oc1-c1ccccc1 100649003 YIVDTAKIQUPZAG-UHFFFAOYSA-N 319.769 3.936 70 40 DHIB O=S(=O)(Cl)c1cc(Br)c(Cl)cc1Cl 97972429 VMMZBCRKHJULAH-UHFFFAOYSA-N 324.410 3.683 70 40 DHIB in-vitro CCCC[C@@H](CC)CNC(=O)CCc1ccc2c(c1)OCCO2 217042691 NTPYZOYJMXBTRA-OAHLLOKOSA-N 319.445 3.723 70 40 DHIB CCOC(=O)c1ccc(OCc2cccc(F)c2)c(OCC)c1 216821447 BJLGUBJKDPVLHG-UHFFFAOYSA-N 318.344 3.980 70 40 DHIB CCCC(=O)N1CCC[C@H](c2nnc(-c3ccc(C)cc3)o2)C1 216649505 DCAYHNZITVQZMS-HNNXBMFYSA-N 313.401 3.551 70 40 DHIB CC(C)(C)c1ccc(C(=O)NCC[C@H](O)c2ccsc2)cc1 217529479 YSPCOBRYTUWPKK-INIZCTEOSA-N 317.454 3.899 70 40 DHIB CN1CCC[C@H](C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 216910810 PKJHCOKPGNLPCX-QMMMGPOBSA-N 321.635 3.927 70 40 DHIB Cc1ccc(/C=C/C(=O)N[C@H](C)COc2ccc(C)cc2)cc1 218179554 ANPBJSXFSKUHJH-JIIJFUIFSA-N 309.409 3.900 70 40 DHIB CCOC(=O)c1ccc(OC)c(OCc2ccccc2F)c1 216803715 SVPAVQWMXIEQBR-UHFFFAOYSA-N 304.317 3.590 70 40 DHIB Cc1ccc(CCC(=O)N[C@H](C)COc2ccc(C)cc2)cc1 218534611 SVZJJYDOELXMMC-QGZVFWFLSA-N 311.425 3.820 70 40 DHIB CCc1ncnc(N[C@@H]2CCO[C@@H](c3ccccc3)C2)c1F 160640641 FHIAGZGEPJDCHT-UKRRQHHQSA-N 301.365 3.510 70 40 DHIB CN1CCC[C@@H](C(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 216910779 PKJHCOKPGNLPCX-MRVPVSSYSA-N 321.635 3.927 70 40 DHIB COc1ccc(CCCNC(=O)CSc2ccccc2)cc1 217970971 NIIXFISCGWBRDY-UHFFFAOYSA-N 315.438 3.536 70 40 DHIB Nc1nnc(/C=C/c2ccc(OCc3cccc(F)c3)cc2)o1 216893886 KJFPAVQCUZGBBH-RMKNXTFCSA-N 311.316 3.540 70 40 DHIB O=C(NC[C@@H]1CCCN1c1ccccc1)c1ccc2[nH]ccc2c1 217832574 MVCAXEPTECPIEZ-SFHVURJKSA-N 319.408 3.567 70 40 DHIB Cc1cc(C)cc(OCC(=O)NCCCc2ccc(F)cc2)c1 218692225 QTLOFLGPOCDHHD-UHFFFAOYSA-N 315.388 3.570 70 40 DHIB O=C(/C=C/c1ccccc1)NCCCN1CCCc2ccccc21 217886723 ZYXDFEGGDWGNNO-BUHFOSPRSA-N 320.436 3.659 70 40 DHIB Cc1nc2ccc(NC(=O)N(C)c3ccccc3)cc2nc1C 217302040 VTWIYZPKDAPTTE-UHFFFAOYSA-N 306.369 3.915 70 40 DHIB Nc1nnc(/C=C/c2cccc(OCc3cccc(F)c3)c2)o1 216905930 LRLZSPLBFIHDAJ-BQYQJAHWSA-N 311.316 3.540 70 40 DHIB CCOC(=O)c1ccc(OC)c(-c2cc3ccccc3oc2=O)c1 216936877 MCKXPPSWDCSMFA-UHFFFAOYSA-N 324.332 3.645 70 40 DHIB O=C(NCc1cccs1)N1CCS[C@H]1c1ccccc1F 217630202 NSGNOEYJQGHGQS-AWEZNQCLSA-N 322.430 3.844 70 40 DHIB CC(C)C[C@H](NC(=O)CC1CCN(C)CC1)c1ccccc1 216902100 BTEIICSEPWFFCX-SFHVURJKSA-N 302.462 3.622 70 40 DHIB Cc1ccccc1[C@@H](NC(=O)[C@@H]1CCCN(C)C1)c1ccccc1 216915359 PSDYAQSIKRNVSU-QUCCMNQESA-N 322.452 3.542 70 40 DHIB O=S(=O)(NCC1(c2ccsc2)CCCC1)c1ccccc1 217483280 WCUOMUYZMZACTP-UHFFFAOYSA-N 321.467 3.538 70 40 DHIB O=C(c1ccc2nc[nH]c2c1)N1CCCC[C@@H](c2ccccc2)C1 217490053 PWZLETSGKJHVGG-QGZVFWFLSA-N 319.408 3.973 70 40 DHIB COc1ccccc1CCCNC(=O)c1ccc(Cl)cc1 217849171 QXUSLAUKVMCIRV-UHFFFAOYSA-N 303.789 3.711 70 40 DHIB Cc1cccc([C@H](NC(=O)[C@@H]2CCCN(C)C2)c2ccccc2)c1 216918736 FIOMOFPYXWBSGX-WOJBJXKFSA-N 322.452 3.542 70 40 DHIB Cc1ccc(/C=C/C(=O)N[C@@H](C)COc2ccc(C)cc2)cc1 218179463 ANPBJSXFSKUHJH-RTGRKSDTSA-N 309.409 3.900 70 40 DHIB CN(CCNC(=O)C1(c2ccccc2)CCCC1)c1ccccc1 216799185 KOHFPLOLAFBTBL-UHFFFAOYSA-N 322.452 3.751 70 40 DHIB CCC(C)=C1[C@H]2C=C[C@@H]1[C@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21 217568110 KHBKTDJNVWPIOM-YJEJQGFLSA-N 307.393 3.643 70 40 DHIB O=C(CCc1ccccc1)NCCCN1CCCc2ccccc21 218174304 JVCMFRSNSCKFLO-UHFFFAOYSA-N 322.452 3.578 70 40 DHIB COc1ccc(CSCC(=O)NCCC2=CCCCC2)cc1 218110667 YXZNQFHAHDWEOW-UHFFFAOYSA-N 319.470 3.935 70 40 DHIB CN1C(=O)c2ccccc2N(C)[C@H]1c1ccn(-c2ccccc2)c1 216712256 GOIVFKYTTHSIMT-LJQANCHMSA-N 317.392 3.698 70 40 DHIB C[C@H](NC(=O)CC1CCN(C)CC1)c1ccc(C(C)(C)C)cc1 216898668 SMKBMUWOJRZJKP-HNNXBMFYSA-N 316.489 3.893 70 40 DHIB COc1ccccc1CCCNC(=O)/C=C/c1ccc(F)cc1 217911023 ZJJFVVCCKUAYHI-JLHYYAGUSA-N 313.372 3.597 70 40 DHIB [N-]=[N+]=NC(=O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O 12338562 WGRMAIRSOYTGHR-UHFFFAOYSA-N 323.139 3.654 70 40 DHIB Cc1cc(C)c2nc(-n3ncc4ccccc4c3=O)sc2c1 216736156 KNIHPHCOMVSPQY-UHFFFAOYSA-N 307.378 3.612 70 40 DHIB O=S(=O)(Cl)c1ccc(C(F)(F)F)cc1C(F)(F)F 103626009 KSOZFWPHXQNOEB-UHFFFAOYSA-N 312.618 3.652 70 40 DHIB Cc1ccccc1[C@@H](NC(=O)C1CCN(C)CC1)c1ccccc1 216923033 CGMLNNPWCYTUGF-FQEVSTJZSA-N 322.452 3.542 70 40 DHIB CCN1C(=O)CS[C@H]1c1ccn(-c2ccc(Cl)cc2)c1 216707545 VGIZFDKYEDPRKY-HNNXBMFYSA-N 306.818 3.725 70 40 DHIB Cc1ccccc1OC[C@@H](C)NC(=O)/C=C/c1ccc(F)cc1 217912382 MVDIVOBMJBJYMC-SAAWKEMMSA-N 313.372 3.731 70 40 DHIB O=C(NC[C@H]1CCCN1c1ccccc1)c1ccc2[nH]ccc2c1 217832493 MVCAXEPTECPIEZ-GOSISDBHSA-N 319.408 3.567 70 40 DHIB CC[C@@H](NC(=O)CC1CCN(C)CC1)c1ccc(C)c(C)c1 216905254 GBSWOYRMVPVJIA-GOSISDBHSA-N 302.462 3.603 70 40 DHIB O=C(c1cccc(Oc2ccccn2)c1)N1[C@H]2C=CC[C@H]1CC2 218744936 LDZYRJZTGCHKDT-HOTGVXAUSA-N 306.365 3.807 70 40 DHIB COC(=O)c1c(C)n(C(=O)c2ccc(C)cc2)c2ccccc12 216950180 USGFINDMNIHYSF-UHFFFAOYSA-N 307.349 3.733 70 40 DHIB O=C(NCC[C@@H](O)c1ccsc1)C12CC3CC(CC(C3)C1)C2 217530444 GHHSVMFPMONFBG-JKJYUFNASA-N 319.470 3.504 70 40 DHIB CCCC(=O)N1CCC(c2nnc(-c3ccc(C)cc3)o2)CC1 216633118 BKSCRARKZKPDLK-UHFFFAOYSA-N 313.401 3.551 70 40 DHIB CCSCc1cccc(NC2CCC(NC(C)=O)CC2)c1 161187487 GKXLOGRPHGGEQW-UHFFFAOYSA-N 306.475 3.799 70 40 DHIB Nc1nnc(/C=C/c2ccc(OCc3ccccc3F)cc2)o1 216893711 UZQJAXWTSSKDGN-JXMROGBWSA-N 311.316 3.540 70 40 DHIB CCN(CC)c1ccc(-c2nn3c(C(F)F)nnc3s2)cc1 216885544 CKIUBLGFXHODMI-UHFFFAOYSA-N 323.372 3.637 70 40 DHIB Cc1ccc([C@H](NC(=O)[C@H]2CCCN(C)C2)c2ccccc2)cc1 216915540 TUFWIVGSMPBYJX-VQTJNVASSA-N 322.452 3.542 70 40 DHIB CCN1C(=O)CS[C@H]1c1ccn(-c2cccc(Cl)c2)c1 216707427 SJJDJUXQANIZNT-HNNXBMFYSA-N 306.818 3.725 70 40 DHIB O=S(=O)(F)c1ccc(-c2ncc(-c3ccccc3)o2)cc1 97983253 UYKWHWWFIFIWTE-UHFFFAOYSA-N 303.314 3.667 70 40 DHIB CSc1ncccc1C(=O)N1CCS[C@H]1c1ccsc1 217636021 BNIFSQOCIZQFPO-AWEZNQCLSA-N 322.480 3.753 70 40 DHIB COC(=O)c1c(C)n(C(=O)c2ccc(F)cc2)c2ccccc12 216954196 GTRXJVYSOSSVRT-UHFFFAOYSA-N 311.312 3.564 70 40 DHIB O=C(c1ccc2nc[nH]c2c1)N1CCCC[C@H](c2ccccc2)C1 217490142 PWZLETSGKJHVGG-KRWDZBQOSA-N 319.408 3.973 70 40 DHIB Cc1ccccc1-n1ccc([C@H]2OCCN2Cc2ccco2)c1 216745430 DTZWMKPEEBJPBH-LJQANCHMSA-N 308.381 3.910 70 40 DHIB CCOC(=O)c1ccc(C)c(-c2cc3ccccc3oc2=O)c1 216936440 ZVQDVRRKWMCPKF-UHFFFAOYSA-N 308.333 3.945 70 40 DHIB O=C(COc1ccc(Cl)cc1)NCCCc1ccc(F)cc1 217829819 IOHUTNNKSJBIAH-UHFFFAOYSA-N 321.779 3.607 70 40 DHIB CCCC[C@H](CC)CNC(=O)CCc1ccc2c(c1)OCCO2 217042722 NTPYZOYJMXBTRA-HNNXBMFYSA-N 319.445 3.723 70 40 DHIB CCN1C(=O)CS[C@@H]1c1ccn(-c2cccc(Cl)c2)c1 216707384 SJJDJUXQANIZNT-OAHLLOKOSA-N 306.818 3.725 70 40 DHIB CSc1ccc(CN[C@@]23C[C@@H]4C[C@@H](C[C@@](O)(C4)C2)C3)cc1 217947284 RPTOKXUCCSHRLQ-YJEJQGFLSA-N 303.471 3.582 70 40 DHIB CCOc1ccc(CCCNC(=O)CCc2ccccc2)cc1 218171596 DNGMEBJZDWSWOO-UHFFFAOYSA-N 311.425 3.767 70 40 DHIB CCOC(=O)c1ccccc1NC(=O)Nc1ccccc1OC 217267979 YKRJPOWKENXPTH-UHFFFAOYSA-N 314.341 3.516 70 40 DHIB O=C(NCC[C@H](O)c1ccsc1)C12CC3CC(CC(C3)C1)C2 217530523 GHHSVMFPMONFBG-IEKYFPHUSA-N 319.470 3.504 70 40 DHIB CCCC(=O)N1CCC(c2nnc(-c3ccccc3C)o2)CC1 216631887 AATDRIBRVYXJNZ-UHFFFAOYSA-N 313.401 3.551 70 40 DHIB O=C(NCc1cccs1)N1CCS[C@@H]1c1ccccc1F 217630117 NSGNOEYJQGHGQS-CQSZACIVSA-N 322.430 3.844 70 40 DHIB Cc1cccc([C@@H](NC(=O)[C@H]2CCCN(C)C2)c2ccccc2)c1 216918761 FIOMOFPYXWBSGX-PMACEKPBSA-N 322.452 3.542 70 40 DHIB CSC1C[C@@H]2CC[C@H](C1)N2C(=O)NCc1ccc(Cl)cc1 217714247 OXWUHOFOGNDUHT-YIONKMFJSA-N 324.877 3.908 70 40 DHIB CCc1ccc(C(=O)n2c(C)c(C(=O)OC)c3ccccc32)cc1 216950624 DDDYSGPLAMXITP-UHFFFAOYSA-N 321.376 3.987 70 40 DHIB Cc1ccc(COc2cccc(/C=C/c3nnc(N)o3)c2)cc1 216905731 FBHSFJWQFLJTIM-MDZDMXLPSA-N 307.353 3.710 70 40 DHIB Cc1ccc(/C=C/C(=O)N[C@@H](C)COc2ccccc2C)cc1 218179285 JUJATNAINVEPFA-UJGDBWEASA-N 309.409 3.900 70 40 DHIB Cc1ccc(/C=C/C(=O)N[C@H](C)COc2ccccc2C)cc1 218179365 JUJATNAINVEPFA-GZKZCVOOSA-N 309.409 3.900 70 40 DHIB O=S(=O)(C1CCCCC1)N1CCCC[C@@H](c2ccccc2)C1 217288541 ZJMVUBOGFIHLHD-QGZVFWFLSA-N 321.486 3.919 70 40 DHIB O=S(=O)(F)CCNc1ccc(/N=N/c2ccccc2)cc1 97944187 ZCOSYTPMOHUPJC-ISLYRVAYSA-N 307.350 3.813 70 40 DHIB CCc1ncnc(N[C@H]2CCO[C@H](c3ccccc3)C2)c1F 160640529 FHIAGZGEPJDCHT-ZFWWWQNUSA-N 301.365 3.510 70 40 DHIB CCN1C(=O)CS[C@H]1c1ccn(-c2ccccc2Cl)c1 216707319 HSQVINMZGROUBE-HNNXBMFYSA-N 306.818 3.725 70 40 DHIB Cc1ccc(SCC(=O)NCCCc2ccc(F)cc2)cc1 217975392 MSLUNQAGZSELFS-UHFFFAOYSA-N 317.429 3.975 70 40 DHIB COc1ccc(-n2ccc([C@H]3OCCN3Cc3ccco3)c2)cc1 216746879 RJGATRANOWLJNC-LJQANCHMSA-N 324.380 3.610 70 40 DHIB Cc1ccccc1OC[C@H](C)NC(=O)CSc1ccccc1 217971991 SEBRADLZOKDFGV-HNNXBMFYSA-N 315.438 3.671 70 40 DHIB Cc1ccc(OCCNC(=O)CCSc2ccccc2)cc1 218080198 PBWYXAPEGXOSBD-UHFFFAOYSA-N 315.438 3.672 70 40 DHIB COc1ccccc1CCCNC(=O)c1ccccc1SC 218191754 TUEVDKOLBKFUPA-UHFFFAOYSA-N 315.438 3.780 70 40 DHIB CN1CCC(CC(=O)Nc2ccc(OC3CCCC3)cc2)CC1 216900642 OGJXJHVPCVMLMB-UHFFFAOYSA-N 316.445 3.678 70 40 DHIB CCOC(=O)c1ccc(OC)c(OCc2ccc(F)cc2)c1 216804172 SRYAGGQNERUQJN-UHFFFAOYSA-N 304.317 3.590 70 40 DHIB Cc1ccccc1COc1cccc(/C=C/c2nnc(N)o2)c1 216905679 DURJCYQEDRPDIW-MDZDMXLPSA-N 307.353 3.710 70 40 DHIB COC(=O)c1nn(-c2ccccc2)c2c1[C@@H]1CC[C@@]2(C)C1(C)C 217602696 RILGKAWFNYNOBN-ORAYPTAESA-N 310.397 3.834 70 40 DHIB O=C(c1ccc2c(c1)OCCCO2)c1coc2cc(O)ccc12 218709178 CYRZCJSOHNWWBA-UHFFFAOYSA-N 310.305 3.531 70 40 DHIB Nc1nnc(/C=C/c2ccc(OCc3ccc(F)cc3)cc2)o1 216894056 HVCLWXNUWWAMGD-BJMVGYQFSA-N 311.316 3.540 70 40 DHIB O=C(/C=C/c1ccccc1Cl)NCC[C@@H](O)c1ccsc1 217530913 JVMFRGJXIABIOB-LLYBFZRZSA-N 321.829 3.655 70 40 DHIB O=S(=O)(Cl)c1cccc(COc2ccccc2Cl)c1 103603339 RPDAAONNNSCRHE-UHFFFAOYSA-N 317.193 3.847 70 40 DHIB CCOC(=O)c1c(C)n(C)c2ccc(OC3CCCC3)cc12 217768049 NRMQNQUIUPYIIX-UHFFFAOYSA-N 301.386 3.985 70 40 DHIB COc1ccccc1CCCNC(=S)Nc1ccccc1 217935065 FSGYHLKALPSZPS-UHFFFAOYSA-N 300.427 3.614 70 40 DHIB CCc1ccc(C(=O)n2cc(C(=O)OC)c3ccccc32)cc1 216950714 DWYRMNKIAIOXJW-UHFFFAOYSA-N 307.349 3.679 70 40 DHIB O=C(CCCOc1ccccc1)NCCCc1ccc(F)cc1 218725056 AXORLODQSSWMFT-UHFFFAOYSA-N 315.388 3.734 70 40 DHIB C[C@H](NC(=O)[C@@H]1CCCN(C)C1)c1ccc(C(C)(C)C)cc1 216911987 SXKWXPOYLOYPMT-GOEBONIOSA-N 302.462 3.503 70 40 DHIB CCc1ccc(-n2ccc([C@H]3SCC(=O)N3CC)c2)cc1 216708632 YRVDJCBUWHMGSK-QGZVFWFLSA-N 300.427 3.634 70 40 DHIB CC(C)CO[C@@H](c1ccc(S(=O)(=O)Cl)cc1)C(C)C 103670645 ABKKIIPDIMASGY-CQSZACIVSA-N 304.839 3.984 70 40 DHIB Cc1c(C(N)=O)c2ccccc2n1C(=O)c1ccc(C(C)C)cc1 216950370 MPHMAIFNKSALJD-UHFFFAOYSA-N 320.392 3.861 70 40 DHIB CCOc1ccccc1NC(=O)N1[C@H]2CC[C@H]1CC(SC)C2 217716593 OZSZFNAJOKVBAR-STQMWFEESA-N 320.458 3.976 70 40 DHIB CCc1ccc(-n2ccc([C@@H]3SCC(=O)N3CC)c2)cc1 216708583 YRVDJCBUWHMGSK-KRWDZBQOSA-N 300.427 3.634 70 40 DHIB CCOc1ccc(Oc2ccc(S(=O)(=O)Cl)cc2)cc1 100485717 KLIXUELBAKMDHO-UHFFFAOYSA-N 312.774 3.805 70 40 DHIB O=C(/C=C/c1ccccc1Cl)NCC[C@H](O)c1ccsc1 217530823 JVMFRGJXIABIOB-NFAHFFEMSA-N 321.829 3.655 70 40 DHIB CCc1nc(CN[C@H](c2ccc(F)cc2F)C(C)(C)C)n[nH]1 160502999 RQJKVUIRQCLBRM-OAHLLOKOSA-N 308.376 3.522 70 40 DHIB COc1ccc(CSCC(=O)N(C)Cc2ccccc2)cc1 218109279 LLLXATOLKYFFMK-UHFFFAOYSA-N 315.438 3.587 70 40 DHIB Fc1cccc(-n2ccc([C@H]3OCCN3Cc3ccco3)c2)c1 216747655 ZTMZDMAYJSFEJQ-GOSISDBHSA-N 312.344 3.740 70 40 DHIB Brc1cccc(Cn2ccc(-c3cccnc3)n2)c1 216694236 JQBLECJMNJFJKZ-UHFFFAOYSA-N 314.186 3.756 70 40 DHIB CCOC1=CO[C@](CO[Si](F)(CC)CC)(OCC)CC1 195793186 GUBQJYICTNLIHK-CQSZACIVSA-N 306.450 3.876 70 40 DHIB Cc1cccc([C@H](NC(=O)[C@H]2CCCN(C)C2)c2ccccc2)c1 216918784 FIOMOFPYXWBSGX-VQTJNVASSA-N 322.452 3.542 70 40 DHIB COC(=O)c1c(C)n(C(=O)c2cccc(C)c2)c2ccccc12 216949864 PRXRPYYXJUINAO-UHFFFAOYSA-N 307.349 3.733 70 40 DHIB O[C@@]12O[C@]34CCCC[C@H]3C[C@]13CC[C@@H]2C[C@H]1CCCC[C@]13O4 217362842 NYWUQKFITQFOEY-OHNZXXHYSA-N 304.430 3.741 70 40 DHIB Cc1ccc(OC[C@H](C)NC(=O)c2ccc(Cl)cc2)cc1 217849562 JZIOPHLFVOMMDN-ZDUSSCGKSA-N 303.789 3.846 70 40 DHIB NC(=O)c1cn(C(=O)c2ccc3ccccc3c2)c2ccccc12 216951118 ICELRUCXNAHFSZ-UHFFFAOYSA-N 314.344 3.582 70 40 DHIB Cc1cccc(NC(=O)COc2cc(C)nc3ccccc23)c1 217445613 NRUOLSJDAIPFMV-UHFFFAOYSA-N 306.365 3.869 70 40 DHIB Cc1ccc(COc2ccc(/C=C/c3nnc(N)o3)cc2)cc1 216893549 JLDCOKVAURGZRL-DHZHZOJOSA-N 307.353 3.710 70 40 DHIB CO[C@@H](CNC(=O)Nc1cccs1)c1ccccc1Cl 218353211 NAVCHROZKIKSMT-LBPRGKRZSA-N 310.806 3.911 70 40 DHIB Cc1cccc([C@H](NC(=O)C2CCN(C)CC2)c2ccccc2)c1 216924685 FIPRAUWFAKKNHL-HXUWFJFHSA-N 322.452 3.542 70 40 DHIB CN1C(=O)c2ccccc2N(C)[C@@H]1c1ccn(-c2ccccc2)c1 216712301 GOIVFKYTTHSIMT-IBGZPJMESA-N 317.392 3.698 70 40 DHIB C[C@H](NC(=O)[C@H]1CCCN(C)C1)c1ccc(C(C)(C)C)cc1 216912039 SXKWXPOYLOYPMT-HOCLYGCPSA-N 302.462 3.503 70 40 DHIB Cc1cccc([C@@H](NC(=O)C2CCN(C)CC2)c2ccccc2)c1 216924667 FIPRAUWFAKKNHL-FQEVSTJZSA-N 322.452 3.542 70 40 DHIB CCOC(=O)c1cccc(-c2cc3ccccc3oc2=O)c1C 216936309 NTYBGYUPBUQNQO-UHFFFAOYSA-N 308.333 3.945 70 40 DHIB CCOC(=O)c1ccc(OCc2cccc(F)c2)c(OC)c1 216809434 GYHFHPFPLUYYKB-UHFFFAOYSA-N 304.317 3.590 70 40 DHIB O=C(c1ccc(Oc2nccs2)cc1)N1[C@H]2C=CC[C@H]1CC2 218748305 MHWJCQYHJMDQMJ-KBPBESRZSA-N 312.394 3.869 70 40 DHIB COC(=O)c1c(C)n(C(=O)c2cccc(F)c2)c2ccccc12 216953638 PEEIJBQHWXDLTM-UHFFFAOYSA-N 311.312 3.564 70 40 DHIB COc1ccccc1-n1ccc([C@H]2OCCN2Cc2ccco2)c1 216746762 YCLLUKYTZWPSNE-LJQANCHMSA-N 324.380 3.610 70 40 DHIB CC(C)Sc1ccccc1C(=O)NCCC1CCN(C)CC1 217036953 XMYPONJLIZIESU-UHFFFAOYSA-N 320.502 3.649 70 40 DHIB COc1cccc(CCCNC(=O)/C=C/c2ccc(C)cc2)c1 218178025 GUHFBLMDQQDEPK-OUKQBFOZSA-N 309.409 3.766 70 40 DHIB Cc1ccc(CCC(=O)N[C@@H](C)COc2ccc(C)cc2)cc1 218534528 SVZJJYDOELXMMC-KRWDZBQOSA-N 311.425 3.820 70 40 DHIB Cc1ccccc1[C@H](NC(=O)[C@H]1CCCN(C)C1)c1ccccc1 216915433 PSDYAQSIKRNVSU-AZUAARDMSA-N 322.452 3.542 70 40 DHIB CCOc1ccc(CCCNC(=O)/C=C/c2ccccc2)cc1 217883652 LUIUPULPHDVKAX-NTCAYCPXSA-N 309.409 3.848 70 40 DHIB Cc1ccc(OC[C@H](C)NC(=O)/C=C/c2ccc(F)cc2)cc1 217912557 PIQNJXAKJKYMKY-BLMSOEDDSA-N 313.372 3.731 70 40 DHIB Cc1ccccc1OCC(=O)NCCCc1ccc(Cl)cc1 217825338 VONSPNDBKXOZJH-UHFFFAOYSA-N 317.816 3.776 70 40 DHIB C[C@@H](NC(=O)[C@H]1CCCN(C)C1)c1ccc(C(C)(C)C)cc1 216912017 SXKWXPOYLOYPMT-ZBFHGGJFSA-N 302.462 3.503 70 40 DHIB O=S(=O)(Cl)c1ccc(-c2cnc(C3CCC3)o2)s1 100104846 XCBOJJRKTHJTHW-UHFFFAOYSA-N 303.792 3.598 70 40 DHIB Cc1ccccc1COc1ccc(/C=C/c2nnc(N)o2)cc1 216893372 GPJRHOMVRALMAY-DHZHZOJOSA-N 307.353 3.710 70 40 DHIB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1[C@H]2C=CC[C@H]1CC2 218704555 LPUHJWVZQNWYMD-KBPBESRZSA-N 305.805 3.817 70 40 DHIB CC(C)c1ccc(CCCNC(=O)COc2ccccc2)cc1 217824727 QLBOGKXGRNBOKN-UHFFFAOYSA-N 311.425 3.938 70 40 DHIB Cc1ccc(Cc2nnc3sc(-c4ccccc4)nn23)cc1 216756264 ZQJLOPMYMPWEHG-UHFFFAOYSA-N 306.394 3.752 70 40 DHIB Brc1cccc(Cn2ccc(-c3ccccn3)n2)c1 216693152 HDWYGCPSBLUXQX-UHFFFAOYSA-N 314.186 3.756 70 40 DHIB COc1cccc([C@@H]2SCCN2C(=O)c2ccsc2)c1 217636973 PCBVALUEYWVUCQ-HNNXBMFYSA-N 305.424 3.645 70 40 DHIB O=S(=O)(Cl)c1c(Cl)ccc(C(F)(F)F)c1Cl 103626013 KIRXTWYRDBYYKB-UHFFFAOYSA-N 313.511 3.940 70 40 DHIB CC(C)Oc1cccc(CNC(=O)/C=C/c2ccc(F)cc2)c1 217910387 FPZZBKZGMXYGQV-DHZHZOJOSA-N 313.372 3.943 70 40 DHIB CCc1ccccc1-n1ccc([C@H]2SCC(=O)N2CC)c1 216708979 NMBAXJNNGMMKTO-QGZVFWFLSA-N 300.427 3.634 70 40 DHIB COc1ccccc1CCCNC(=O)c1cccc(Cl)c1 217851997 UZKNKJPGHUGZNE-UHFFFAOYSA-N 303.789 3.711 70 40 DHIB Cc1ccc(OC[C@H](C)NC(=S)Nc2ccccc2)cc1 217936311 DIIICMDMYZCPOF-AWEZNQCLSA-N 300.427 3.749 70 40 DHIB CCCC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3C)o2)C1 216647216 HXVFGDDDWNNCQQ-CQSZACIVSA-N 313.401 3.551 70 40 DHIB NC(=O)c1cn(Cc2cccc3ccccc23)c2ccccc12 216947654 XDVHVIMISFTCSH-UHFFFAOYSA-N 300.361 3.942 70 40 DHIB O=C(/C=C/c1ccc(F)cc1)NCCCc1ccc(F)cc1 217910902 CEUPYBLEHYNNIJ-KPKJPENVSA-N 301.336 3.727 70 40 DHIB Cc1ccc(-n2ccc([C@@H]3OCCN3Cc3ccco3)c2)cc1 216745595 PFEPOROVEZLTRB-IBGZPJMESA-N 308.381 3.910 70 40 DHIB CCOC(=O)c1ccc(OCc2ccc(F)cc2)c(OCC)c1 216821292 YAAILBHEPOGAQT-UHFFFAOYSA-N 318.344 3.980 70 40 DHIB O=C1C[C@]2(C[C@H]3C=C[C@@H]2C3)C(=O)N1c1ccc(Cl)c(Cl)c1 217526205 OMEDDFSSTSLOIY-IEVXNVSRSA-N 322.191 3.839 70 40 DHIB CC(C)(C)c1nc2ccc(Cl)c(S(=O)(=O)Cl)c2o1 100028218 FOWBGGZXVDIAFH-UHFFFAOYSA-N 308.186 3.706 70 40 DHIB CCOC(=O)c1ccc(OC)c(OCc2ccccc2C)c1 216803366 JQFHBGKYJHGDJI-UHFFFAOYSA-N 300.354 3.759 70 40 DHIB Cc1ccc([C@@H](NC(=O)[C@H]2CCCN(C)C2)c2ccccc2)cc1 216915516 TUFWIVGSMPBYJX-PMACEKPBSA-N 322.452 3.542 70 40 DHIB O=C(Cc1ccc(Cl)cc1)NCCCc1ccc(F)cc1 218528319 MQQVXAKCNAILIQ-UHFFFAOYSA-N 305.780 3.771 70 40 DHIB CCOC(=O)c1c(C)n(Cc2cccnc2)c2ccc(OC)cc12 217760214 GZTIIBUDFRMKLG-UHFFFAOYSA-N 324.380 3.578 70 40 DHIB CCc1ccccc1-n1ccc([C@@H]2SCC(=O)N2CC)c1 216708930 NMBAXJNNGMMKTO-KRWDZBQOSA-N 300.427 3.634 70 40 DHIB NC(=O)CSc1ccccc1NCc1ccc(Cl)cc1F 160733143 CLJLBFGNQKDRGU-UHFFFAOYSA-N 324.808 3.669 70 40 DHIB Fc1cccc(-n2ccc([C@@H]3OCCN3Cc3ccco3)c2)c1 216747610 ZTMZDMAYJSFEJQ-SFHVURJKSA-N 312.344 3.740 70 40 DHIB COc1ccc(/C=C/C(=O)NCCCc2ccc(F)cc2)cc1 217917068 CWEUIKXDLCOTAB-MDWZMJQESA-N 313.372 3.597 70 40 DHIB COc1ccc([C@H]2SCCN2C(=O)/C=C/c2ccco2)cc1 217628002 XUMNNVJWTBQKRF-KBOKABMXSA-N 315.394 3.576 70 40 DHIB O=S(=O)(Cl)c1ccc(OCc2ccccc2)c(Cl)c1 100590963 MMFCHDUEAVKHFK-UHFFFAOYSA-N 317.193 3.847 70 40 DHIB C[C@@H](NC(=O)[C@@H]1CCCN(C)C1)c1ccc(C(C)(C)C)cc1 216911949 SXKWXPOYLOYPMT-GDBMZVCRSA-N 302.462 3.503 70 40 DHIB Cc1ccc(NC(=O)NCC[C@H](O)c2ccsc2)cc1C 217545687 JVKYNMASVJSCEW-HNNXBMFYSA-N 304.415 3.610 70 40 DHIB Fc1ccccc1-n1ccc([C@@H]2OCCN2Cc2ccco2)c1 216746042 RMZMIAMCDYJQPA-SFHVURJKSA-N 312.344 3.740 70 40 DHIB CCOc1cc(C(=O)OC)ccc1OCc1cccc(F)c1 216821398 UXVUBXNXUVZGEK-UHFFFAOYSA-N 304.317 3.590 70 40 DHIB Cc1cc(Cl)nc(COc2c(F)c(F)c(F)c(F)c2F)n1 159729625 HPDVGDNNSKHUJE-UHFFFAOYSA-N 324.636 3.713 70 40 DHIB Nc1nnc(/C=C/c2cccc(OCc3ccc(F)cc3)c2)o1 216905880 QBFMEVJGWHYJHL-RMKNXTFCSA-N 311.316 3.540 70 40 DHIB O=C(/C=C\c1ccc(S(=O)(=O)Cl)cc1)c1ccccc1 100312068 QJOPDPKVYXDCAE-FLIBITNWSA-N 306.770 3.510 70 40 DHIB C1CCC(OC2CCN(CCCN3CCCCC3)CC2)CC1 160747885 JNANMQDAKQTDHT-UHFFFAOYSA-N 308.510 3.676 70 40 DHIB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccccc2)cc1 217936223 DIIICMDMYZCPOF-CQSZACIVSA-N 300.427 3.749 70 40 DHIB COC(=O)c1nn(-c2ccccc2)c2c1[C@H]1CC[C@]2(C)C1(C)C 217602932 RILGKAWFNYNOBN-YJYMSZOUSA-N 310.397 3.834 70 40 DHIB CC(C)CO[C@H](c1ccc(S(=O)(=O)Cl)cc1)C(C)C 103670651 ABKKIIPDIMASGY-AWEZNQCLSA-N 304.839 3.984 70 40 DHIB CCCCSc1ccc(OCC)c(S(=O)(=O)Cl)c1 103702832 WFEYLWNMJOMRGU-UHFFFAOYSA-N 308.852 3.905 70 40 DHIB COc1ccc(CCCNC(=O)/C=C/c2ccc(F)cc2)cc1 217911228 LSEFBSVJLFGBAS-MDWZMJQESA-N 313.372 3.597 70 40 DHIB CC(C)C[C@@H](NC(=O)CC1CCN(C)CC1)c1ccccc1 216902063 BTEIICSEPWFFCX-GOSISDBHSA-N 302.462 3.622 70 40 DHIB CN(CCNC(=O)/C=C/c1ccccc1Cl)c1ccccc1 217900416 MJLOYPUUMXAEKX-VAWYXSNFSA-N 314.816 3.606 70 40 DHIB COc1cccc([C@H]2SCCN2C(=O)c2ccccc2C)c1 217637088 HZCMJMHUEZJIAR-GOSISDBHSA-N 313.422 3.891 70 40 DHIB CCOc1cccc(C(=O)n2cc(C(=O)OC)c3ccccc32)c1 216956572 MLKBATUBBQRPIC-UHFFFAOYSA-N 323.348 3.515 70 40 DHIB COCc1csc(NC(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)n1 161364743 SQECJIZRJPPUDA-BXUZGUMPSA-N 317.414 3.514 70 40 DHIB CCCC(=O)N1CCC[C@@H](c2nnc(-c3ccc(C)cc3)o2)C1 216649456 DCAYHNZITVQZMS-OAHLLOKOSA-N 313.401 3.551 70 40 DHIB Cc1ccc(OCC(=O)NCCCc2ccc(F)cc2)cc1C 218719945 WIDXZZZCPKUZAD-UHFFFAOYSA-N 315.388 3.570 70 40 DHIB COc1ccccc1CCCNC(=O)/C=C/c1ccc(C)cc1 218177953 WDXXDCFJTDWELB-BUHFOSPRSA-N 309.409 3.766 70 40 DHIB COCc1csc(NC(=O)N2C[C@@H](C)[C@H]2c2ccccc2)n1 161364501 SQECJIZRJPPUDA-RISCZKNCSA-N 317.414 3.514 70 40 DHIB O=C(CSc1ccccc1)NCCCc1ccc(F)cc1 217970752 PSRYISJRLFIUQM-UHFFFAOYSA-N 303.402 3.667 70 40 DHIB COc1ccccc1CCCNC(=O)CSc1ccccc1 217970851 UYLWBRFVNKLAIQ-UHFFFAOYSA-N 315.438 3.536 70 40 DHIB Cc1ccc([C@H](NC(=O)C2CCN(C)CC2)c2ccccc2)cc1 216923108 AGNQGSGJEZUBIH-HXUWFJFHSA-N 322.452 3.542 70 40 DHIB COc1ccc(-n2ccc([C@@H]3OCCN3Cc3ccco3)c2)cc1 216746834 RJGATRANOWLJNC-IBGZPJMESA-N 324.380 3.610 70 40 DHIB CCOc1ccc2cc(S(=O)(=O)Cl)ccc2c1Cl 100186531 HOLJRNMZLRTFLT-UHFFFAOYSA-N 305.182 3.819 70 40 DHIB CCOC(=O)c1ccc(-c2cc3ccccc3oc2=O)c(C)c1 216935260 AEGGTBQGWWFZHR-UHFFFAOYSA-N 308.333 3.945 70 40 DHIB CCOC(=O)c1ccc(OCc2ccccc2C)c(OC)c1 216809145 WDWBCGHTYFUGCE-UHFFFAOYSA-N 300.354 3.759 70 40 DHIB Fc1ccc(-n2ccc([C@H]3OCCN3Cc3ccco3)c2)cc1 216746190 CUKPKGLTVRIXLQ-GOSISDBHSA-N 312.344 3.740 70 40 DHIB CC[C@H](NC(=O)CC1CCN(C)CC1)c1ccc(C)c(C)c1 216905288 GBSWOYRMVPVJIA-SFHVURJKSA-N 302.462 3.603 70 40 DHIB CCOC(=O)c1ccc(OC)c(OCc2cccc(F)c2)c1 216804002 QZYHQKGGROUANB-UHFFFAOYSA-N 304.317 3.590 70 40 DHIB Cc1cc(S(=O)(=O)Cl)c(C(C)C)cc1Br 100757976 TUCCCNKRJRETLQ-UHFFFAOYSA-N 311.628 3.808 70 40 DHIB Cc1ccccc1OCC(=O)NCCCc1ccccc1Cl 217825214 OPMMRLSBPYOATE-UHFFFAOYSA-N 317.816 3.776 70 40 DHIB Cc1ccccc1[C@@H](NC(=O)[C@H]1CCCN(C)C1)c1ccccc1 216915407 PSDYAQSIKRNVSU-ICSRJNTNSA-N 322.452 3.542 70 40 DHIB O=C1CS[C@@H](c2ccn(-c3ccccc3)c2)N1Cc1ccco1 216675329 CCIFYNJTPPWPHF-SFHVURJKSA-N 324.405 3.845 70 40 DHIB CC(C)(C)c1ccc(C(=O)n2cc(C(N)=O)c3ccccc32)cc1 216950420 RORWYPGRBALQTL-UHFFFAOYSA-N 320.392 3.726 70 40 DHIB Cc1ccc(OC[C@@H](C)NC(=O)/C=C/c2ccc(F)cc2)cc1 217912484 PIQNJXAKJKYMKY-CUXKMMBLSA-N 313.372 3.731 70 40 DHIB NC(=O)c1cn(Cc2ccc3ccccc3c2)c2ccccc12 216947723 OMIAXIRFPHLIRD-UHFFFAOYSA-N 300.361 3.942 70 40 DHIB Nc1nnc(/C=C/c2cccc(OCc3ccccc3F)c2)o1 216906023 AOSAGUKINRQJGB-CMDGGOBGSA-N 311.316 3.540 70 40 DHIB Fc1ccccc1-n1ccc([C@H]2OCCN2Cc2ccco2)c1 216746083 RMZMIAMCDYJQPA-GOSISDBHSA-N 312.344 3.740 70 40 DHIB Cc1cccc(-n2ccc([C@@H]3OCCN3Cc3ccco3)c2)c1 216745495 OXEMDIQGYVTDHN-IBGZPJMESA-N 308.381 3.910 70 40 DHIB Cc1ccc(C)c2sc(-n3ncc4ccccc4c3=O)nc12 216736642 ZEKQZUCDXMTHBX-UHFFFAOYSA-N 307.378 3.612 70 40 DHIB Cc1ccccc1[C@H](NC(=O)C1CCN(C)CC1)c1ccccc1 216923057 CGMLNNPWCYTUGF-HXUWFJFHSA-N 322.452 3.542 70 40 DHIB Cc1ccc(OC[C@@H](C)NC(=O)CSc2ccccc2)cc1 217972104 LSOCTGYKOCPKLX-OAHLLOKOSA-N 315.438 3.671 70 40 DHIB O=C1CS[C@H](c2ccn(-c3ccccc3)c2)N1Cc1ccco1 216675371 CCIFYNJTPPWPHF-GOSISDBHSA-N 324.405 3.845 70 40 DHIB O=C(NCC[C@H](O)c1ccsc1)c1cccc2ccccc12 217529086 PSQJGORSWXFLMA-KRWDZBQOSA-N 311.406 3.755 70 40 DHIB Cc1ccccc1-n1ccc([C@@H]2OCCN2Cc2ccco2)c1 216745381 DTZWMKPEEBJPBH-IBGZPJMESA-N 308.381 3.910 70 40 DHIB Cc1ccccc1[C@H](NC(=O)[C@@H]1CCCN(C)C1)c1ccccc1 216915381 PSDYAQSIKRNVSU-UYAOXDASSA-N 322.452 3.542 70 40 DHIB COC(=O)c1cccc(OC(=O)c2cccc3ccccc23)c1 216776296 FBLHPEUUOWILSA-UHFFFAOYSA-N 306.317 3.846 70 40 DHIB COc1ccccc1NCc1c(C)[nH]c2c(C)cccc2c1=O 217428036 AWCJUPXEIHZIQI-UHFFFAOYSA-N 308.381 3.766 70 40 DHIB O=C(CSCc1ccccc1)NCCCc1ccc(F)cc1 218008007 QZIQXGLBTYFBTA-UHFFFAOYSA-N 317.429 3.808 70 40 DHIB COc1cccc(-n2ccc([C@H]3OCCN3Cc3ccco3)c2)c1 216746299 MNYPTSWOJXGGLZ-LJQANCHMSA-N 324.380 3.610 70 40 DHIB COC(=O)c1nn(-c2ccccc2)c2c1[C@@H]1CC[C@]2(C)C1(C)C 217602860 RILGKAWFNYNOBN-DJJJIMSYSA-N 310.397 3.834 70 40 DHIB CCc1ccc2nc(-n3ncc4ccccc4c3=O)sc2c1 216890329 JPCGZJODMATEBR-UHFFFAOYSA-N 307.378 3.558 70 40 DHIB CC(C)c1ccc(C(=O)n2cc(C(N)=O)c3ccccc32)cc1 216950437 RMLMLSKVPFUPOC-UHFFFAOYSA-N 306.365 3.552 70 40 DHIB COC(=O)c1c(C)n(C(=O)c2ccccc2F)c2ccccc12 216952839 AFKLNTUXKJQMNA-UHFFFAOYSA-N 311.312 3.564 70 40 DHIB Cc1cccnc1NC(=O)c1cc(C(C)C)n(-c2ccccc2)n1 160084008 LKBTYLIHPLIVCU-UHFFFAOYSA-N 320.396 3.951 70 40 DHIB COC(=O)c1c(C)n(C(=O)Cc2ccccc2)c2ccccc12 216951846 DMLSTSSXDJNFEZ-UHFFFAOYSA-N 307.349 3.619 70 40 DHIB