smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1cccc(N2C(N)=C(C#N)[C@@H](c3cc(C)ccc3C)C3=C2CCCC3=O)c1 1108522 NWGLZVAIWLJUEV-HSZRJFAPSA-N 383.495 4.917 50 50 GJGA O=C(COc1ccc(Cl)cc1Cl)NN=C(c1ccccc1)c1ccccc1 3050092 OJZGZXKKMMYBHC-UHFFFAOYSA-N 399.277 4.941 50 50 GJGA COc1ccc(/C(C)=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc1 4950287 RYTUOHAHMAGQFN-ZCBHOAFYSA-N 384.479 4.542 50 50 GJGA O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(-c2ccccc2)nc2ccccc12 1476763 WKIOQEXDIILADK-BUVRLJJBSA-N 396.406 4.574 50 50 GJGA Cc1ccc(-c2cc(C(=O)N/N=C/c3c(Cl)cccc3Cl)[nH]n2)s1 5314329 JLGTVOQNLBLKDK-UFWORHAWSA-N 379.272 4.517 50 50 GJGA COC(=O)/C(C#N)=C\c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1 17078997 XFDOJVLQSVFCMG-WTKPLQERSA-N 386.618 4.899 50 50 GJGA COc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1 2513466 VTZZJFDOHQNXNC-ZVHZXABRSA-N 394.858 4.692 50 50 GJGA N#C/C(C(=O)N1CCCCC1)=C1/SC=C(c2ccccc2)N1c1ccccc1 1159832 ILEQDXOVGNZRKW-ATJXCDBQSA-N 387.508 4.986 50 50 GJGA N#CC(C#N)=Cc1ccc(OC[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1 643939 QWLXHABFPINBNU-FQEVSTJZSA-N 393.446 4.665 50 50 GJGA COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n[nH]2)c1 867844 HGIGBWWJKICEEZ-PCLIKHOPSA-N 396.450 4.516 50 50 GJGA N#C/C(=C\c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc3c(c2)OCO3)cs1 4834636 ASZFGOAUCZWGOO-MKMNVTDBSA-N 377.381 4.511 50 50 GJGA Cc1ccc(C(=O)N/N=C(/C=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 5682515 NNSJHGWGPNLQPO-BKSQSNAASA-N 385.423 4.751 50 50 GJGA COc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)Nc2ccc(C(C)C)cc2)cc1 17078851 DKXZERLPNDKXLZ-LDADJPATSA-N 386.455 4.754 50 50 GJGA C/C(=N\NC(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2ccccc2F)c1 20357427 HOUPIPFKUMBRER-WGOQTCKBSA-N 389.430 4.540 50 50 GJGA CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 4210177 XPWBQTIVANLTGT-KOEQRZSOSA-N 388.515 4.704 50 50 GJGA Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 626110 AYWQAULUIIRUBV-SFHVURJKSA-N 397.265 4.706 50 50 GJGA CC/C(=N\NC(=O)Cc1ccc(Cl)cc1)c1ccc(Br)s1 669037 MSBSOTUJCHVBIO-LDADJPATSA-N 385.714 4.637 50 50 GJGA CCc1ccc(/C=N\NC(=O)c2ccc(COc3ccc4c(c3)CCC4)o2)s1 17080640 NFDGCNKUXPZJJJ-QRVIBDJDSA-N 394.496 4.735 50 50 GJGA N#CC1=C(N)N(c2ccccc2Cl)C2=C(C(=O)CCC2)[C@H]1c1cccs1 2520961 QLKZZKNWTLCVRH-GOSISDBHSA-N 381.888 4.706 50 50 GJGA Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)[nH]n2)s1 9320625 NODRFJXORQZUNZ-UFWORHAWSA-N 379.272 4.517 50 50 GJGA Cc1nn(-c2ccccc2)c2c1[C@H](c1cccc3ccccc13)C(C#N)=C(N)O2 663312 CWWVGVGLPUUAQD-JOCHJYFZSA-N 378.435 4.552 50 50 GJGA Cc1nn(-c2ccccc2)c2c1[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 634333 LCELAGJZSJSQHN-KRWDZBQOSA-N 397.265 4.706 50 50 GJGA CC(C)(C)c1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(C(C)(C)C)c1O 1228477 MQUCXEUAUROOMX-IBGZPJMESA-N 394.515 4.802 50 50 GJGA Cl[C@H]1[C@H]2[C@H]3C=C[C@@H](c4c(I)cccc43)[C@H]2[C@H]1Cl 254627689 CLNJDPHWYNPRTG-OODJYTJKSA-N 377.052 4.503 50 50 GJGA Cc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)cc1 4229776 JNVWLEUYTPDBEW-ZVHZXABRSA-N 392.842 4.632 50 50 GJGA O=C(Cc1cccc2c1CCCC2)N/N=C\c1ccc(OCc2ccccc2)cc1 43761193 LLXLPFBRLJTUNX-IMRQLAEWSA-N 398.506 4.837 50 50 GJGA COC(=O)[C@@H]1CC=C2C(C)(C)[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@@]2(C)C1=O 169835358 OWSGLNJXHQYREH-IVZHQMGZSA-N 380.601 4.892 50 50 GJGA COc1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 4360532 KJTYAFSSLAOSHC-ZVHZXABRSA-N 394.858 4.692 50 50 GJGA COc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)c(Br)cc1O 4820860 SOKRHZXMXHARCO-MLPAPPSSSA-N 398.260 4.721 50 50 GJGA CC(C)(C)c1ccc(C(=O)NNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 5496737 AAFTYDFDUHPRGR-UHFFFAOYSA-N 380.275 4.757 50 50 GJGA COc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCCCC3)cc2)cc1 211713718 DMEXPWQRRAJVSQ-MNDPQUGUSA-N 375.472 4.621 50 50 GJGA CCOc1ccc(/C=N/NC(=O)CCn2c3ccccc3c3ccccc32)cc1 2363048 VJGFHVWPDAIROS-KOEQRZSOSA-N 385.467 4.734 50 50 GJGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cccc(Oc2ccc(Cl)cc2)c1 1228297 JCYMUOKESAWAND-HXUWFJFHSA-N 392.842 4.947 50 50 GJGA CCSC1=C(C#N)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N1 19337760 PBNZJZIVSVDIOU-HXUWFJFHSA-N 375.497 4.774 50 50 GJGA O=C(CCCl)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccccc1[N+](=O)[O-] 225496987 LZCSWULXSMCVFX-KRWDZBQOSA-N 392.242 4.555 50 50 GJGA COc1ccccc1N/C=C(\C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2268245 IHIMSTRSSBPPMQ-SDNWHVSQSA-N 378.413 4.703 50 50 GJGA COc1ccccc1C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 731355 RHOQDFNDZJRYEP-ZVHZXABRSA-N 394.858 4.692 50 50 GJGA C[C@@H]1CCc2cc(C(=O)NNC(=O)Nc3cc(Cl)cc(Cl)c3)sc2C1 17081427 LSRRKTRIBNUZRO-SECBINFHSA-N 398.315 4.646 50 50 GJGA Cn1c2ccccc2c2cc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)ccc21 17080976 YMOGHOXWPIKNMJ-LFIBNONCSA-N 396.406 4.785 50 50 GJGA C[Si](C)(C)O[C@]1(C#N)C=C[C@]23C(=O)CC[C@H]2C2(C[C@@H]3C1)SCCCS2 257358885 WZHSVDLKPYDZHC-BURFUSLBSA-N 393.650 4.612 50 50 GJGA Cc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 2409595 QXTLECDZHXKDAH-ZVHZXABRSA-N 378.859 4.991 50 50 GJGA N#CC(NC(=O)c1ccc(COc2ccc3ccccc3c2)o1)=C(Cl)Cl 1857800265 FQILOVLIOOLLIH-UHFFFAOYSA-N 387.222 4.912 50 50 GJGA O=C(CCn1c2c(c3ccccc31)CCCC2)N/N=C/c1c(F)cccc1Cl 1469460 YWNHWVCQNVBPIN-AFUMVMLFSA-N 397.881 4.853 50 50 GJGA O=C(N/N=C/c1cccnc1)c1cc(-c2cccc(Cl)c2)nc2ccccc12 20533862 BYVKDCZDSIVWCY-AFUMVMLFSA-N 386.842 4.714 50 50 GJGA CSc1ccc(/C=C(/C#N)S(=O)(=O)c2ccc(Br)cc2)cc1 29764218 NBHDCXFJOGAWNY-YBEGLDIGSA-N 394.315 4.509 50 50 GJGA Cc1noc(C2CC2)c1NC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C 182832865 MGAZALBWYZXHMJ-YBFXNURJSA-N 380.492 4.871 50 50 GJGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1c1cccc(Oc2ccccc2)c1 729217 MNSDIQUWMHUKCW-HXUWFJFHSA-N 390.439 4.514 50 50 GJGA C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1Cl 5005933 GDUCFLRYMCQPLQ-UFWORHAWSA-N 386.622 4.709 50 50 GJGA CC(C)(C)[C@@H]1COC(c2ccccc2P(c2ccccc2)c2ccccc2)=N1 59186248 DMOLTNKQLUAXPI-QHCPKHFHSA-N 387.463 4.636 50 50 GJGA Cc1ccc(N2C(N)=C(C#N)[C@H](c3cccs3)C3=C2CC(C)(C)CC3=O)cc1 1057906 ZLJFWDJUEKBVDO-HXUWFJFHSA-N 389.524 4.997 50 50 GJGA Cc1cc(F)ccc1-c1ccc(C(=O)NNc2nc3ccccc3[nH]2)cc1F 768501695 JZAACBBYWSFBTN-UHFFFAOYSA-N 378.382 4.573 50 50 GJGA CCCCOc1ccc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)cc1 3163435 UVKBLZIUFWNCNQ-BUVRLJJBSA-N 382.504 4.826 50 50 GJGA CCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1 4372625 GPBCXAZVPPIZOR-WLXKGNRNSA-N 388.467 4.670 50 50 GJGA COC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc4ccc(C)cc4[nH]3)o2)cc1 5062186 VOSABAUETKKXFC-SFQUDFHCSA-N 383.407 4.982 50 50 GJGA Cc1cccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2cccs2)c1 5796287 OVYWNNHEXNNSGK-OEAKJJBVSA-N 386.480 4.673 50 50 GJGA CCCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccccc3Cl)[nH]n2)cc1 5634018 LCVKIUAXGCDCFN-OEAKJJBVSA-N 396.878 4.673 50 50 GJGA CC(CCc1ccccc1)=NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 245240719 RYEAHKTYDHTJGT-UHFFFAOYSA-N 399.494 4.986 50 50 GJGA O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)c1ccccc1 4260623 MKUWQDXZLRWOSK-YZSQISJMSA-N 394.430 4.823 50 50 GJGA COc1ccc2ccccc2c1-c1cc(C(=O)N/N=C(\C)c2ccc(C)cc2)[nH]n1 5296877 MLVKEQSEEZUBPO-PCLIKHOPSA-N 398.466 4.701 50 50 GJGA O=C(N/N=C/c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1ccncc1 1202997 UIKGUTQLRCVPTC-YSURURNPSA-N 393.752 4.778 50 50 GJGA CCc1nc(C)c(CN(Cc2sc3ccccc3c2C)C(=O)CCl)o1 1875384494 QQVZBDIVKPIYKI-UHFFFAOYSA-N 376.909 4.836 50 50 GJGA CCn1c2ccccc2c2cc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)ccc21 752574 RCMSWGPTLRZFQT-QFIPXVFZSA-N 383.451 4.629 50 50 GJGA N#C/C(=C\c1ccc(I)o1)c1nc2ccccc2s1 6536739 RTQSFYAXJMSEBD-VQHVLOKHSA-N 378.194 4.558 50 50 GJGA BrCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 43967637 LNQACCOAGJGYQQ-UHFFFAOYSA-N 384.277 4.766 50 50 GJGA in-vitro C/C(=N\NC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Br)s1 12343198 IDRBCLHATGFABF-REZTVBANSA-N 392.105 4.971 50 50 GJGA O=C(CNc1ccc2ccccc2c1)N/N=C/c1cc2ccccc2nc1Cl 1228084 LQJZSQNIRIQIHA-DHRITJCHSA-N 388.858 4.604 50 50 GJGA Cc1ccccc1C(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 4329568 XEDHRTOHVFEZDK-ZVHZXABRSA-N 392.842 4.632 50 50 GJGA N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1c(Cl)cccc1Cl 32544244 WEBUHYKSQBBRPL-AWEZNQCLSA-N 383.238 4.602 50 50 GJGA O=C(Cl)c1csc(C(F)(F)c2ncc(C(F)(F)F)cc2Cl)n1 261494963 YEXDHCTXPOIZGX-UHFFFAOYSA-N 377.121 4.729 50 50 GJGA Cc1cc(/C=C(\C#N)C(=O)NCc2ccco2)c(C)n1-c1ccc(Cl)cc1 1199061 LGYDSQDDBKWPIC-GZTJUZNOSA-N 379.847 4.564 50 50 GJGA CCCOc1ccc(-c2cc(C(=O)N/N=C/C(C)=C/c3ccccc3)[nH]n2)cc1 4677900 VPDLWXHEGPNHNP-ZMCADSIOSA-N 388.471 4.685 50 50 GJGA N#C/C(=C/c1ccc(OCC(=O)O)c(Br)c1)c1ccc(Cl)cc1 5014157 PNBFLWVBZZTYFU-QPEQYQDCSA-N 392.636 4.630 50 50 GJGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1 5126054 RGLYAPZCRHRXOB-AFUMVMLFSA-N 393.450 4.784 50 50 GJGA COC(=O)/C(C#N)=C\c1ccc(OC)c(COc2ccc(C(C)(C)C)cc2)c1 17077567 IIHWTTFOVIFCFN-ATVHPVEESA-N 379.456 4.652 50 50 GJGA N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)N1CCCCCC1 731982 KXUAYCLTGFYYGC-HEHNFIMWSA-N 396.494 4.849 50 50 GJGA N#C/C(=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C(=O)Nc1ccccc1 15684769 NLYWAVIBQPRHNL-UVTDQMKNSA-N 392.798 4.844 50 50 GJGA CC[Si](CC)(CC)O[C@H]1C(=O)N(C(=O)c2ccccc2)[C@H]1c1ccccc1 169916868 PMFXBVOLZORTNG-VQTJNVASSA-N 381.548 4.801 50 50 GJGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(Cl)cc1 102267235 JHTFMCFDXIJTRD-LFVJCYFKSA-N 393.959 4.827 50 50 GJGA CN(C)c1ccc(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 4982552 GIQMLAPQXQXTFX-MHWRWJLKSA-N 376.441 4.848 50 50 GJGA O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 2262512 HINXBVYXUFQMTK-UHFFFAOYSA-N 387.351 4.531 50 50 GJGA Cc1cccc(C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)c1 2529691 TZBMAVMSEAKZKN-ZVHZXABRSA-N 378.859 4.991 50 50 GJGA N#C/C(=C\c1ccccc1[N+](=O)[O-])c1nc(-c2ccc3c(c2)OCO3)cs1 5008802 UZROAOFQEFETJO-VGOFMYFVSA-N 377.381 4.511 50 50 GJGA COc1cccc2cc(/C(C)=N/NC(=O)c3ccc(C(F)(F)F)cc3)oc12 5621109 WHZUQKBODHSJQS-FOKLQQMPSA-N 376.334 4.614 50 50 GJGA C/C(=N\NC(=O)c1sccc1C)c1ccc(NC(=O)c2ccccc2C)cc1 5756170 MUAOBPMXZRQRIT-LFVJCYFKSA-N 391.496 4.771 50 50 GJGA c1ccc([P+](Cc2ccc3c(c2)OCO3)(c2ccccc2)c2ccccc2)cc1 101020641 OYFHVWKIGXBLGF-UHFFFAOYSA-N 397.434 4.909 50 50 GJGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2CCc1ccc(C(C)(C)C)cc1 1143225 CVPLWRCDMWEQIE-KRWDZBQOSA-N 378.516 4.900 50 50 GJGA FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCI 100434457 BPQUIZZKLVTZOY-UHFFFAOYSA-N 388.011 4.670 50 50 GJGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccc(Cl)c1 706115 CNDGDTUKCKMPBM-YWZLYKJASA-N 376.843 4.548 50 50 GJGA COc1cc2c(cc1OC)[C@H](NC(=O)CCCC[C@H]1CCSS1)CC2 886025427 NWYRSCRYCBNAQN-GOEBONIOSA-N 381.563 4.521 50 50 GJGA C=C[C@H]1O[C@@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OCc1ccc(OC)cc1 169836624 BROIXOCKNHTHEL-YSTOQKLRSA-N 394.584 4.528 50 50 GJGA CCOC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@H]1c1ccc(SC)cc1 4751312 SXSLMYAHTLXWRE-LJQANCHMSA-N 380.469 4.553 50 50 GJGA N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1)C(=O)Nc1ccccc1 13546333 NDMFIGJIFIOCKP-ZHZULCJRSA-N 398.418 4.509 50 50 GJGA COC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(C)cc2)c(Cl)c1 220956627 NVHLBEXCFVFSRT-VIZOYTHASA-N 376.239 4.961 50 50 GJGA O=C(Cc1ccccc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 4355253 PUIZXDMDGQBQRS-BUVRLJJBSA-N 378.859 4.612 50 50 GJGA COc1ccc(/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC 1217419 ISQDGTXWOROQAD-LFIBNONCSA-N 376.368 4.936 50 50 GJGA N#C/C(=C\c1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc2c(c1)OCCO2 6279757 GIGSMBDCQHIWDC-XSFVSMFZSA-N 382.419 4.670 50 50 GJGA C/C(=N\NC(=O)c1cc(-c2cccs2)n[nH]1)c1ccc(-c2ccccc2)cc1 5354104 HIQRNFHPORKYNR-HZHRSRAPSA-N 386.480 4.959 50 50 GJGA Cc1cccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c1 2509162 AZSHKEVDENYQIK-ZVHZXABRSA-N 378.859 4.991 50 50 GJGA N#CC1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CCC2)[C@@H]1c1cccs1 713284 AYZUYJKOBXGPJP-SFHVURJKSA-N 381.888 4.706 50 50 GJGA O=C(Oc1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nc1-c1ccccc1 1105407 LGQXIBDZTQDVOR-UHFFFAOYSA-N 385.379 4.667 50 50 GJGA CC(C)Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Cl)cc3)[nH]n2)cc1 9110755 TULLMLHKVTZWIN-YDZHTSKRSA-N 380.879 4.693 50 50 GJGA CCOC(=O)/C(C#N)=C1\CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 59260625 ABBSCUUCHMYNOQ-FSRJHIKZSA-N 381.516 4.902 50 50 GJGA CC(C)(C)[Si](C)(C)OCc1cc2ncc(I)cc2o1 169794213 JTVGUIFTDJPUDJ-UHFFFAOYSA-N 389.309 4.954 50 50 GJGA in-vitro CCCCCCCCCc1ccc(C(=O)NNC(=O)c2ccccc2O)cc1 220974716 OJLOHTSBEVRVMP-UHFFFAOYSA-N 382.504 4.760 50 50 GJGA CO[C@H]1CC[C@]2(C)C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@@H]3CC(=O)O[C@@H]3[C@H]2O1 257356480 IHLRZFFYJCOWIA-IHGRRFEYSA-N 398.616 4.650 50 50 GJGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccs2)[C@H]2C[C@@H](c3ccccc3)CC=C12 13479741 MCKRCQNHIRZESC-MDKPJZGXSA-N 382.492 4.735 50 50 GJGA Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccc3ccccc13)C(C#N)=C(N)O2 663314 CWWVGVGLPUUAQD-QFIPXVFZSA-N 378.435 4.552 50 50 GJGA N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1nc(O)c2ccccc2n1 17027445 SOMUFCKKYOQMTB-SDNWHVSQSA-N 384.351 4.568 50 50 GJGA O=C(N/N=C\c1cccnc1)c1cc(-c2ccccc2)nc2c(Cl)cccc12 32578327 RMLDFBSTXJIBGG-QFEZKATASA-N 386.842 4.714 50 50 GJGA C=CCOc1ccc(C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1 2553647 DNSWHGJRWCJCNW-KOEQRZSOSA-N 386.451 4.594 50 50 GJGA Cl[C@H](COC[C@@H](Cl)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 43058502 LNJXZKBHJZAIKQ-QWWZWVQMSA-N 377.737 4.958 50 50 GJGA in-vitro C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1)c1ccc(C)cc1 5353207 DGOWHVRMQCKDQB-WSDLNYQXSA-N 387.270 4.846 50 50 GJGA C/C(=N/NC(=O)CNc1cccc2ccccc12)c1ccc(Br)cc1 1233178 CZNOEMDDQMZFAY-UCQKPKSFSA-N 396.288 4.555 50 50 GJGA COc1cc(Br)c(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)cc1OC 6645779 CVWJDSZZWRQJJL-NTUHNPAUSA-N 398.260 4.715 50 50 GJGA C/C(=N\NC(=O)c1ccccc1F)c1cccc(NC(=O)c2ccc(C)cc2)c1 15934186 ZESNQOSTCJJHHR-WGOQTCKBSA-N 389.430 4.540 50 50 GJGA O=C(COc1cccc(Cl)c1Cl)N/N=C/c1ccccc1C(F)(F)F 2521730 WGRVZOLIBZCYAP-GZIVZEMBSA-N 391.176 4.541 50 50 GJGA COc1ccccc1/C=C/C=N/NC(=O)c1cc(-c2cccc3ccccc23)n[nH]1 4160153 KSGTZFBNEGAFHO-ZOCGBISSSA-N 396.450 4.668 50 50 GJGA Cc1ccc(N2C(N)=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C2CCCC3=O)cc1 705449 OSNHAGVIOCKUCB-OAQYLSRUSA-N 389.886 4.953 50 50 GJGA Cc1occc1C(=O)N/N=C\c1ccc(COc2ccc(Cl)c(Cl)c2)o1 4647072 CRLBPXURKPSENK-NKVSQWTQSA-N 393.226 4.831 50 50 GJGA C[C@@H](O[Si](C)(C)C(C)(C)C)c1ncc(CNc2ccc(CC#N)cc2)s1 241775940 RQLRHQBGDABMFN-OAHLLOKOSA-N 387.625 5.904 50 50 GJGA COc1ccc2nc(/C(C#N)=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[nH]c2c1 4739819 ZHZGHKCTIZQQJL-GXDHUFHOSA-N 386.367 4.804 50 50 GJGA C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1OC 2143411 KIZVACVFYWJHMB-JOCHJYFZSA-N 384.435 4.631 50 50 GJGA CC(C)(C)C1CCC(=NNC(=O)c2ccccc2I)CC1 4372825 KXHXCSFBOMYKLG-UHFFFAOYSA-N 398.288 4.613 50 50 GJGA O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1sc2ccccc2c1Cl 5948697 LJKDAPKRNOTXKT-UFWORHAWSA-N 394.239 4.880 50 50 GJGA O=C(CSc1nc2ccccc2s1)N/N=C/c1cccc2ccccc12 861806 UTASKEPJJJDQQS-CIAFOILYSA-N 377.494 4.692 50 50 GJGA CCn1c(SCC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)nc2ccccc21 1299376 QQZCBFCDCRBEDS-OEAKJJBVSA-N 394.544 4.596 50 50 GJGA O=C(COc1cccc(Cl)c1Cl)N/N=C/c1c(Cl)cccc1Cl 2521874 FWEVCNIOJQVWHV-IFRROFPPSA-N 392.069 4.829 50 50 GJGA C[C@@]1(C(=O)N/N=C(\CCCCl)c2ccc(Cl)cc2)CC1(Cl)Cl 17078037 GJGJEKBPYKDJBG-PVGUKEHMSA-N 382.118 4.763 50 50 GJGA N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)NC1CCCCC1 1212243 AUDDMAKLGATBSU-JLHYYAGUSA-N 399.834 4.864 50 50 GJGA O=C(N/N=C/c1ccc(N2Cc3ccccc3C2)cc1)c1ccccc1Cl 2075487 NOWYFJRVKJETAJ-ZMOGYAJESA-N 375.859 4.624 50 50 GJGA C[C@@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1cccc(Br)c1 2898440 ATDVVRHZWWEDPZ-CYGNYLSHSA-N 397.272 4.520 50 50 GJGA CC(C)Cc1ccc(-c2cc(C(=O)N/N=C/c3c(F)cccc3Cl)[nH]n2)cc1 4613395 SWKDELGCDKVKPS-WYMPLXKRSA-N 398.869 4.832 50 50 GJGA COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)c2cccc(C#N)c2)c1C 4821134 JKXVGCWWMURJKX-JAIQZWGSSA-N 398.422 4.947 50 50 GJGA CCOC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1ccc(C(C)(C)C)cc1 17078127 REFTXGMYCAPNSR-NTCAYCPXSA-N 382.485 4.768 50 50 GJGA Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)NC3CCCCC3)o2)cc1[N+](=O)[O-] 1187696 QHWMSRLJFDILSL-LFIBNONCSA-N 379.416 4.519 50 50 GJGA Cc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3O)nc3ccccc23)s1 6846674 LVYWUNLGLMGVKM-YDZHTSKRSA-N 387.464 4.741 50 50 GJGA C[C@@H](Oc1cccc(Cl)c1)C(=O)NN=C1c2ccccc2-c2ccccc21 45068450 LXMFFBCVIZBDIK-CQSZACIVSA-N 376.843 4.657 50 50 GJGA CC(=O)C1=C(C)NC(SCSc2ccccc2)=C(C#N)[C@H]1c1cccnc1 5020163 GTNAMDPZPCZJRR-HXUWFJFHSA-N 393.537 4.850 50 50 GJGA Cc1ccc(-c2cc(C(=O)N/N=C/c3cccnc3)c3ccccc3n2)cc1C 667734 XJQRNSDXTQBTSH-CVKSISIWSA-N 380.451 4.678 50 50 GJGA O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)nc2ccccc12 4897888 IUOKZGDOGAXNNK-BUVRLJJBSA-N 396.406 4.574 50 50 GJGA O=C(NNC(=O)c1sc2cc(F)ccc2c1Cl)Nc1ccc(Cl)cc1 1209336 PXSRQJZLCXXRMT-UHFFFAOYSA-N 398.246 4.814 50 50 GJGA O=C(CCn1c2ccccc2c2ccccc21)N/N=C/c1ccc(Cl)cc1 5129951 KTBYQWRJLIXKML-BUVRLJJBSA-N 375.859 4.988 50 50 GJGA O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)Nc1cccc2ccccc12 5905143 IJMLCHOFYSYVQI-UHFFFAOYSA-N 377.488 4.599 50 50 GJGA Cc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1 2568392 VYYUQVBCLCHKJZ-ZVHZXABRSA-N 392.842 4.632 50 50 GJGA N#C/C(C(=O)NCc1ccco1)=C1/SC=C(c2ccccc2)N1c1ccccc1 1159706 GAXKWRQMXJGTGF-ATJXCDBQSA-N 399.475 4.883 50 50 GJGA O=C(CCn1c2ccccc2c2ccccc21)N/N=C/c1ccccc1Cl 1958864 SNYQAUMBAAWCEY-BUVRLJJBSA-N 375.859 4.988 50 50 GJGA Cc1ccccc1C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 2553309 IBUPDPIVGCWHGQ-ZVHZXABRSA-N 378.859 4.991 50 50 GJGA COc1ccc(N2C(N)=C(C#N)[C@H](c3ccc(C)cc3C)C3=C2CCCC3=O)cc1 2846481 AIYRXZGXMXMKPJ-QHCPKHFHSA-N 399.494 4.617 50 50 GJGA CCCCOc1ccc(C(=O)NNC(=O)Nc2ccc(Cl)cc2Cl)cc1 2853600 WOBVBRQLXNHFNG-UHFFFAOYSA-N 396.274 4.639 50 50 GJGA CC(C)(C)[Si](C)(C)ON1CCN(c2cc(F)cc(Br)c2)CC1 230543904 KRBOLIRSBYPCNW-UHFFFAOYSA-N 389.385 4.647 50 50 GJGA O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1cc2ccccc2cc1O 1904978 OGVCUYOPQRFLAY-WGOQTCKBSA-N 396.446 4.888 50 50 GJGA O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1cccc(F)c1 253470601 NDHAAKMEQKHAIR-ZMOGYAJESA-N 382.822 4.822 50 50 GJGA Cc1ccc2nc(/C(C#N)=C/c3ccc(-c4ccc5c(c4)COC5=O)o3)[nH]c2c1 4457952 XASQTKHFLPVJEC-XNTDXEJSSA-N 381.391 4.866 50 50 GJGA COC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C(C#N)=C/c1ccc(C)o1 17080117 FSTIAGQRJVOOKZ-XNTDXEJSSA-N 392.436 4.649 50 50 GJGA COc1ccccc1N/C=C(\C#N)c1nc(-c2ccc3c(c2)OCO3)cs1 100296446 GUQMYLUCVKKZGK-GXDHUFHOSA-N 377.425 4.524 50 50 GJGA O=P(Oc1c(F)c(F)c(F)c(F)c1F)(c1ccccc1)c1ccccc1 2557061 OOWSDKUFKGVADH-UHFFFAOYSA-N 384.240 4.690 50 50 GJGA in-vitro CCn1c(SCC(=O)N/N=C/C(Cl)=C/c2ccccc2)nc2ccccc21 12413810 LYKJPTHXXGZUSS-BXKXQWCYSA-N 398.919 4.530 50 50 GJGA O=C(CCl)N(c1ccccc1)c1nnc(C23CC4CC(CC(C4)C2)C3)s1 216624789 KGGWMZBNOVMPJX-UHFFFAOYSA-N 387.936 4.909 50 50 GJGA N#C/C(=C/c1cc(Br)ccc1OCC(=O)O)c1ccc(Cl)cc1 16319875 RDBRGYKZNLWBMY-QPEQYQDCSA-N 392.636 4.630 50 50 GJGA O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C1CCCCC1 2521992 NTQAMHRTKJMXSD-MFKUBSTISA-N 390.462 4.709 50 50 GJGA Brc1ccc(SSc2ccc(Br)cn2)nc1 65337518 WURUVZBYROJMDO-UHFFFAOYSA-N 378.114 4.801 50 50 GJGA Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cccc(OCc3ccccc3)c2)cc1 936802 VRFFDBBOJATZSO-HZHRSRAPSA-N 389.476 4.912 50 50 GJGA Cc1cc(C)cc(CSCC(=O)N/N=C/c2c(O)ccc3ccccc23)c1 2962750 SBMOKMWKVIQENH-FSJBWODESA-N 378.497 4.546 50 50 GJGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1 833205 AQTIHKMFJBGAEE-PKNRUHJYSA-N 393.490 4.933 50 50 GJGA O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1cc(-c2ccccc2)n[nH]1 5354196 ZPSMZJSSTHLRQF-LFVJCYFKSA-N 382.423 4.633 50 50 GJGA CC(C)N1CC2=C(OC(N)=C(C#N)[C@H]2c2ccccc2)/C(=C/c2ccccc2)C1 19805239 SBECLKASQBLMNB-PGGUJSHWSA-N 383.495 4.556 50 50 GJGA COc1ccc(/C(C#N)=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1OC 4820596 BNLVHNZJHPZWIP-GZTJUZNOSA-N 375.380 4.726 50 50 GJGA C#CCOc1c(CC=C)cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1OCC 16448256 HFRHSGOUTJXHNZ-STZFKDTASA-N 387.435 4.588 50 50 GJGA CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCC(C)C 5093868 RMDZUVADIQENQU-MFSDMNIBSA-N 384.520 4.722 50 50 GJGA N#CC1=C(N)N(c2ccccc2F)C2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1 714183 CHOIVSGOJMYGEW-FQEVSTJZSA-N 393.849 4.784 50 50 GJGA O=C(N/N=C/c1cccnc1)c1cc(-c2ccccc2Cl)nc2ccccc12 6297915 WPIHUDXRPYSPNS-AFUMVMLFSA-N 386.842 4.714 50 50 GJGA Br[C@H]1[C@H]2CC[C@@H](C2)[C@H]1S[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1Br 245312279 SSHGJJMUKDEIMS-PWLUQISCSA-N 380.189 4.844 50 50 GJGA CCc1ccc(NC(=O)C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1 4335719 CLGBJJHSKSYFBY-WGOQTCKBSA-N 395.462 4.644 50 50 GJGA COc1ccccc1/C=N/NC(=O)c1ccccc1OCc1ccc(Cl)cc1 5671181 IDPIFCDFHZVHSA-ZVHZXABRSA-N 394.858 4.692 50 50 GJGA Cc1cc(C#N)cc(C)c1CN(Cc1c(F)cccc1Cl)C(=O)CCl 1875384406 OJVGJCYFGYLMHL-UHFFFAOYSA-N 379.262 4.735 50 50 GJGA CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCC(C)C 1185655 RMDZUVADIQENQU-FMYIBSAGSA-N 384.520 4.722 50 50 GJGA CCOc1ccc(/C(CC)=N/NC(=O)c2n[nH]c3c2C[C@H](C(C)(C)C)CC3)cc1 5353796 QHLXPHSPZWMTCU-KGWRKDBXSA-N 396.535 4.504 50 50 GJGA COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(F)cc3)n2)cc1OC 13773988 FGQJOWJLSKYWMY-KAMYIIQDSA-N 381.432 4.943 50 50 GJGA O=C(NP(=O)(Nc1ccccc1)Nc1ccccc1)C(Cl)(Cl)Cl 97976847 VMTCKIJIMJVFIX-UHFFFAOYSA-N 392.610 4.805 50 50 GJGA CC(C)(C)c1ccc(C(=O)NNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 1230098 RMRMJPNONAILDL-UHFFFAOYSA-N 386.495 4.655 50 50 GJGA N#C/C(=C\c1cc2c(cc1Cl)OCO2)C(=O)Nc1cccc(C(F)(F)F)c1 2743805 XMABGHSSJADECV-NYYWCZLTSA-N 394.736 4.633 50 50 GJGA CCO/C=N/C1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)O1 2311806 RJQMAEBGKFTHQM-AMAFCZHPSA-N 384.863 4.897 50 50 GJGA Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2)cc1 3097477 PWMWSBQGFRFKCC-ZVHZXABRSA-N 378.859 4.991 50 50 GJGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccco1 102288822 JFWIIQJPQNOHLX-HAVVHWLPSA-N 377.529 4.547 50 50 GJGA CC1=C(C#N)[C@@H](c2ccc(O)cc2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 19762264 XBCIIRURVDSLLI-OPAMFIHVSA-N 390.870 4.931 50 50 GJGA O=C(Cc1ccccc1)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 2513483 IKZKLAYFPHLEGA-BUVRLJJBSA-N 378.859 4.612 50 50 GJGA Cc1cccc(C(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)c1 2568393 MASSLAHRIBROQQ-ZVHZXABRSA-N 392.842 4.632 50 50 GJGA CCOc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(C)cc3)C3=C2C(=O)CCC3)cc1 705646 CNBLLVDSUQYHLM-HSZRJFAPSA-N 399.494 4.699 50 50 GJGA O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1c2ccccc2cc2ccccc12 3001490 FOMNFCASZRXNQF-BUVRLJJBSA-N 383.407 4.594 50 50 GJGA O=[N+]([O-])c1c(C(Cl)Cl)nn(-c2ccc(Cl)cc2)c1N1CCCCC1 5012442 JWTVRFSSIAAJTG-UHFFFAOYSA-N 389.670 4.900 50 50 GJGA O=C(CCl)Nc1ccccc1C(=O)c1cc(Br)ccc1Cl 12375399 VPHRNIMVHBOCMW-UHFFFAOYSA-N 387.060 4.511 50 50 GJGA COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1 4372647 IUEAZCHTHYOGAG-ZVHZXABRSA-N 394.858 4.692 50 50 GJGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)cc1 5753309 ZFEFDIUKUXWILU-WGOQTCKBSA-N 395.462 4.983 50 50 GJGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2)cc1 3097434 JGWBCTGDDVZHCR-ZVHZXABRSA-N 392.842 4.632 50 50 GJGA COc1ccc(/C=C(\C#N)C(=O)NC2CC2)cc1COc1ccc(C(C)C)cc1 17079656 BSYOYUHMLANRIF-XDHOZWIPSA-N 390.483 4.583 50 50 GJGA N#Cc1ccc(NNC(=O)c2cc(Cl)c(F)cc2Cl)c(C(F)(F)F)c1 816570384 SBRATQYCUZVPKS-UHFFFAOYSA-N 392.139 4.780 50 50 GJGA N#C/C(=C\Nc1ccc(Br)cn1)c1nc(-c2ccccc2)cs1 1191344 ZYSDGTXETYOKJG-UKTHLTGXSA-N 383.274 4.944 50 50 GJGA COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC)c(OC)c3)n2)cc1 4071222 XUUPJPJDKLEQRZ-MHWRWJLKSA-N 378.453 4.900 50 50 GJGA CCOc1ccc(/C(CC)=N/NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 9110499 OFGVAYARQHPGLS-PTGBLXJZSA-N 396.878 4.673 50 50 GJGA Cc1nn(-c2ccc3ccccc3c2)c2c1[C@@H](c1ccccc1F)C(C#N)=C(N)O2 2850596 IPYNROQUBLDHLX-QFIPXVFZSA-N 396.425 4.691 50 50 GJGA COC(=O)C(CC[C@]1(C)[C@@H](O[Si](C)(C)C(C)(C)C)C=CC[C@H]1C)C(=O)OC 169830586 AKZHYBFPFHTOAU-KUDFPVQQSA-N 398.616 4.722 50 50 GJGA Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)o1 1212269 YYPFBTGARRFHOQ-NTCAYCPXSA-N 379.416 4.519 50 50 GJGA CCc1ccc2c(Cl)c(C(=O)NNC(=S)NC3CCCCC3)sc2c1 2857840 HVWMQULUNNGMHV-UHFFFAOYSA-N 395.981 4.559 50 50 GJGA Cc1cc(Cl)ccc1OCC(=O)Nc1nc2ccc(SC#N)cc2s1 643501 ZYPLHRRMAIPGEU-UHFFFAOYSA-N 389.889 4.849 50 50 GJGA C[Si](C)(C)O[C@]1(C#N)C=C[C@]23C(=O)CC[C@@H]2C2(C[C@@H]3C1)SCCCS2 216492378 WZHSVDLKPYDZHC-CWLKWCNXSA-N 393.650 4.612 50 50 GJGA CCCSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2ccccc2)=C(C)N1 19534917 RPKAOPBDXKNTQD-IBGZPJMESA-N 379.485 4.757 50 50 GJGA Br/C=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100470030 YFBWZDUHEGEUEK-LICLKQGHSA-N 382.261 4.889 50 50 GJGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(Cl)cc1 752454 AGOGCOGELSQFLG-YWZLYKJASA-N 376.843 4.548 50 50 GJGA COc1ccc(-c2csc(/C(C#N)=C/c3cccc([N+](=O)[O-])c3)n2)cc1OC 5008889 NLZFWLQOTSRPSS-OVCLIPMQSA-N 393.424 4.800 50 50 GJGA COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)c2C)cc1 1190963 SCVYKYIHSBNAFN-QGOAFFKASA-N 389.430 4.788 50 50 GJGA c1ccc(NNCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 100988092 FZIFHOAXXZJLFL-UHFFFAOYSA-N 397.482 4.597 50 50 GJGA CCCCN1C(C)=CC(C(Cl)Cl)=N[B-]1(c1ccccc1)c1ccccc1 334157380 SCINWHSCLIUFFY-UHFFFAOYSA-N 386.155 4.507 50 50 GJGA Cc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(C)n1-c1ccccc1C(=O)O 4677893 DRRLXWOFTBQDAV-ATVHPVEESA-N 382.423 4.733 50 50 GJGA Cc1cc2nc(/C(C#N)=C\c3cccn3-c3cccc([N+](=O)[O-])c3)[nH]c2cc1C 4821030 VLABFTIIHOWKKT-WJDWOHSUSA-N 383.411 4.943 50 50 GJGA CCOC(=O)c1c(N/C=C(\C=O)c2nc3ccccc3o2)sc2c1CCCC2 4321540 NMLGJSJFOGCXSR-ACCUITESSA-N 396.468 4.597 50 50 GJGA COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C#N)[C@@H]3c2ccc(F)cc2)cc1 853806 RYMRDQRTYGLJQV-SBUREZEXSA-N 388.442 4.719 50 50 GJGA CCOc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(C)cc3)C3=C2C(=O)CCC3)cc1 705645 CNBLLVDSUQYHLM-QHCPKHFHSA-N 399.494 4.699 50 50 GJGA COc1ccc2ccccc2c1-c1cc(C(=O)N/N=C/C=C/c2ccccc2)[nH]n1 4981019 NOJNEJANEQZNOM-WGXYEJQQSA-N 396.450 4.668 50 50 GJGA CC(C)[C@H](C=C(Br)Br)CCI 71786639 AFNLQCIHRYAXPD-ZETCQYMHSA-N 395.904 4.715 50 50 GJGA N#CC1=C(SCc2ccccc2)NC(=O)C[C@H]1c1ccc(Br)cc1 8973134 QZLWFMLUHPZIAY-INIZCTEOSA-N 399.313 4.721 50 50 GJGA COc1ccc(/C=C(\C#N)C(=O)C(C)(C)C)cc1COc1ccccc1[N+](=O)[O-] 13322521 YOGTXSOHTZQZIF-LFIBNONCSA-N 394.427 4.705 50 50 GJGA O=C(Oc1ccc(/C=N/NC(=O)C2CCCCC2)cc1)c1ccccc1Cl 43190551 JBNJNJNCXGUTNK-OEAKJJBVSA-N 384.863 4.590 50 50 GJGA CCN(CC)c1ccc(/C=N/NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1 2897719 FXKXLIPFUXJDSQ-WLXKGNRNSA-N 389.499 4.604 50 50 GJGA COc1cc(/C=C(\C#N)c2nc3ccccc3s2)cc(Br)c1O 4040037 WEKJITHAGQDUFK-IZZDOVSWSA-N 387.258 4.837 50 50 GJGA N#CC1=C(N)Oc2cc(N)ccc2[C@H]1c1cccc(Oc2ccc(Cl)cc2)c1 1228379 RMRZYFCTWVNMCE-OAQYLSRUSA-N 389.842 4.933 50 50 GJGA N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccc(F)cc1 1189189 SZMNFZRMMGZQEP-SDNWHVSQSA-N 377.331 4.540 50 50 GJGA CCc1ccc([C@@H]2C(C#N)=C(N)N(c3ccccc3F)C3=C2C(=O)CCC3)cc1 714230 UNSICWDGJITXIS-JOCHJYFZSA-N 387.458 4.693 50 50 GJGA CCc1ccc(/C=N/NC(=O)c2cc(-c3c(OC)ccc4ccccc34)n[nH]2)cc1 5297087 UZRCBAGSMPBVOI-MFKUBSTISA-N 398.466 4.565 50 50 GJGA O=C(N/N=C/c1ccc(N2Cc3ccccc3C2)cc1)c1cccc(Cl)c1 2075485 WDEAIYNAGXFOMM-ZMOGYAJESA-N 375.859 4.624 50 50 GJGA Cc1ccc(-c2cc(C(=O)N/N=C/c3cccc(Oc4ccccc4)c3)[nH]n2)cc1 5125829 XDCYGORMKQMFFC-PCLIKHOPSA-N 396.450 4.941 50 50 GJGA CCc1ccc(/C=N/NC(=O)c2cc(-c3ccncc3)nc3ccccc23)s1 653982 MXBSWFOXRLQHJQ-ZVHZXABRSA-N 386.480 4.685 50 50 GJGA CCCCOc1ccc(/C=N/NC(=O)COc2cc(C(C)C)ccc2C)cc1 4366519 UDZMZYFGMYMQJW-BUVRLJJBSA-N 382.504 4.826 50 50 GJGA Cc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1 2513477 ZTKJXLRSSVKUAE-ZVHZXABRSA-N 378.859 4.991 50 50 GJGA O=C(N/N=C/c1cc(Br)ccc1O)c1ccc(-c2ccccc2)cc1 1922715 RUXATXMVRFQBOS-LPYMAVHISA-N 395.256 4.586 50 50 GJGA Cc1onc(-c2ccccc2Cl)c1C(=O)NNc1nc2ccccc2s1 2766329 PQJSZOZBGPVRKK-UHFFFAOYSA-N 384.848 4.670 50 50 GJGA CCCCCC/C(=N\NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 4989846 GQHXILZQXNCWQB-XUTLUUPISA-N 398.419 4.608 50 50 GJGA C[C@H](Nc1cccc2ccccc12)C(=O)N/N=C/c1c(O)ccc2ccccc12 1202342 HPYHJOAYPDPQAL-JZCUADNKSA-N 383.451 4.649 50 50 GJGA BrCCN(CCBr)c1ccc2c(c1)Cc1ccccc1-2 1681524 WXJPSQUPGYKDNY-UHFFFAOYSA-N 395.138 4.854 50 50 GJGA C=CCOc1ccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1Br 12343910 OWYSVQDXPXBHEU-DHDCSXOGSA-N 385.217 4.986 50 50 GJGA N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccc(F)cc1 2307067 VHNWFNMVTWDZPS-KAMYIIQDSA-N 377.331 4.540 50 50 GJGA COc1ccc(/C(C)=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)cc1 4950280 RYTUOHAHMAGQFN-HXTHCWADSA-N 384.479 4.542 50 50 GJGA O=C(N/N=C/c1ccc(Cl)cc1)c1sccc1OCc1ccc(F)cc1 5769479 YKOMFHRYONXKFN-SSDVNMTOSA-N 388.851 4.884 50 50 GJGA C[C@H](Oc1cccc2ccccc12)C(=O)N/N=C/c1cccc(Br)c1 2898438 ATDVVRHZWWEDPZ-KOUDTOEKSA-N 397.272 4.520 50 50 GJGA O=C(NNc1nc2ccccc2nc1Cc1ccccc1)c1cccc(Cl)c1 6240302 HWNPNGKMUCUZAB-UHFFFAOYSA-N 388.858 4.631 50 50 GJGA Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@H](c2ccccc2)C2=C1CCCC2=O 713505 WXPQATOXMKQGFD-NRFANRHFSA-N 389.886 4.953 50 50 GJGA CCCCOc1ccc(/C=C(\C#N)c2nc(O)c3ccccc3n2)cc1OC 4997461 DZRBDKUCJGUTGZ-FOWTUZBSSA-N 375.428 4.587 50 50 GJGA N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1nc(O)c2ccccc2n1 33473483 ULUWGZPULDDXCP-QBFSEMIESA-N 384.351 4.568 50 50 GJGA O=C(Oc1ccc(/C=N/NC(=O)C2CCCCC2)cc1)c1cccc(Cl)c1 2531733 XLRNBMSHFBULLY-OEAKJJBVSA-N 384.863 4.590 50 50 GJGA O=C(COc1ccc(Cl)cc1Cl)NN=C1c2ccccc2-c2ccccc21 2894380 KKBIVJKGBMBCBN-UHFFFAOYSA-N 397.261 4.921 50 50 GJGA O=C1c2ccccc2[C@@H](Br)CCC1(Br)Br 3053536 YIACNNDOTKGYFX-VIFPVBQESA-N 396.904 4.585 50 50 GJGA COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)cc3)c2C)cc1 1189166 URYWUPNPGJAWAS-ZHZULCJRSA-N 385.467 4.957 50 50 GJGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1sc2ccccc2c1Cl 2966518 BHUGWMUUNOERAP-UFWORHAWSA-N 394.239 4.880 50 50 GJGA CC(C)c1ccc(OCC(=O)N/N=C/c2cc3ccccc3nc2Cl)cc1 4210369 HUCUOPMULZMRQG-FSJBWODESA-N 381.863 4.541 50 50 GJGA COc1ccc2c(Cl)c(C(=O)N/N=C/c3cccc(Cl)c3)sc2c1 5676261 YYZFUNZXWAKXFI-AWQFTUOYSA-N 379.268 4.981 50 50 GJGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccc(Cl)c1 706116 CNDGDTUKCKMPBM-FOIQADDNSA-N 376.843 4.548 50 50 GJGA C/C(=N\NC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1)c1ccc(Cl)cc1 12343182 HAMQTCXSDSFQGJ-ZMOGYAJESA-N 396.922 4.685 50 50 GJGA CCCCOc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1 4372855 NSQQWPPQSNQNBB-WSDLNYQXSA-N 395.286 4.701 50 50 GJGA Cc1cc(C)cc(C(=O)N(NC(=O)c2ccc3c(c2C)CCCO3)C(C)(C)C)c1 28654995 HPNSNYBUADCFDR-UHFFFAOYSA-N 394.515 4.523 50 50 GJGA biogenic,in-vitro N#CC1=C(N)OC2=C(CSC/C2=C\c2ccccc2F)[C@H]1c1ccccc1F 4744704 SNKWAOHFYBINMO-PCLFDXGNSA-N 394.446 4.857 50 50 GJGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n[nH]2)cc1 867834 LJKYMSYDOHKNLJ-PCLIKHOPSA-N 396.450 4.516 50 50 GJGA CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NNC(=O)Nc2ccccc2)cc1 937126 UXPXOAJQKBNIPO-UHFFFAOYSA-N 397.519 4.632 50 50 GJGA O=C(CBr)c1ccc(-c2ccc(C(=O)CBr)cc2)cc1 1614316 RTSLQVZQORGDQQ-UHFFFAOYSA-N 396.078 4.509 50 50 GJGA Cc1ccc(-c2csc(NNC(=O)c3cccc(Br)c3)n2)cc1 5746772 HQDLOHNHURQQOE-UHFFFAOYSA-N 388.290 4.638 50 50 GJGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2)[C@@H]2C[C@H](c3ccccc3)CC=C12 169620124 SVKRRWGGOBPWRH-KJXAQDMKSA-N 376.463 4.674 50 50 GJGA CCCCOc1ccc(/C=N/NC(=O)COc2cccc3ccccc23)cc1 4372874 PWVYQRRCJBTPEE-LFVJCYFKSA-N 376.456 4.548 50 50 GJGA CCCCOc1ccc(/C=N/NC(=O)COc2cccc(Cl)c2Cl)cc1 2521756 RWPFMFKJHHTATJ-WSDLNYQXSA-N 395.286 4.701 50 50 GJGA BrC[C@@H]1CN=C(N(Cc2ccccc2)Cc2ccccc2)S1 101053513 PRDPHZWMUKUXII-QGZVFWFLSA-N 375.335 4.555 50 50 GJGA C/C(=N\NC(=O)CSc1nc2ccccc2[nH]1)c1ccc(Cl)cc1Cl 5350165 DQOKZHUPTTYUMD-LSHDLFTRSA-N 393.299 4.502 50 50 GJGA CC(=O)Nc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccccc3)c2C)cc1 1189510 JITZQGNZCWFGDZ-XSFVSMFZSA-N 398.466 4.598 50 50 GJGA Cc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(C)n1-c1ccc(N(C)C)cc1 4821257 IVFKIAGYBXCYJA-STZFKDTASA-N 385.467 4.923 50 50 GJGA Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 626108 AYWQAULUIIRUBV-GOSISDBHSA-N 397.265 4.706 50 50 GJGA CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1O 15767625 YVTZNQDJFBXUIK-GHXNOFRVSA-N 377.227 4.643 50 50 GJGA CCCCOc1ccc(/C=C(/C#N)c2nc(O)c3ccccc3n2)cc1OC 16736651 DZRBDKUCJGUTGZ-VBKFSLOCSA-N 375.428 4.587 50 50 GJGA O=C(O)c1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100858122 FBVDQBGXXFFRCI-UHFFFAOYSA-O 397.434 4.879 50 50 GJGA COc1ccccc1OCC(=O)N/N=C/c1c2ccccc2cc2ccccc12 1212734 ACSPAWOCOKMBBM-MFKUBSTISA-N 384.435 4.531 50 50 GJGA CC1=CC[C@H](/C(C)=N/NC(=O)CNc2ccc(Cl)cc2Br)CC1 783208 MDIMXQZQYCUFAF-XMOVILSBSA-N 398.732 4.753 50 50 GJGA Cl[C@@H](COC[C@H](Cl)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 43058500 LNJXZKBHJZAIKQ-IMJSIDKUSA-N 377.737 4.958 50 50 GJGA in-vitro Cc1ccccc1-c1cc(C(=O)N/N=C/c2ccccc2O)c2ccccc2n1 667629 PKFYNJIOCGAQIR-MFKUBSTISA-N 381.435 4.680 50 50 GJGA N#CC1=C(N)Oc2c(ccc3ccccc23)[C@@H]1c1ccc(F)c(Br)c1 1231706 VOWJLMKKBXGJMR-SFHVURJKSA-N 395.231 4.960 50 50 GJGA CCc1ccc(/C=N/NC(=O)c2cc(-c3ccc4c5c(cccc35)CC4)n[nH]2)cc1 5297068 GHUYBEZLCUFYKR-CVKSISIWSA-N 394.478 4.655 50 50 GJGA CC(/C=C/c1ccccc1)=N\NC(=O)CCC(=O)Nc1cccc2ccccc12 5516922 NSRRSTKTJLHLBQ-OBVWUFOFSA-N 385.467 4.764 50 50 GJGA CC(C)(C)[Si](C)(C)OCc1ccc(CSc2nnnn2C2CC2)cc1 242389413 ZXBFESIPLPJSRW-UHFFFAOYSA-N 376.602 4.822 50 50 GJGA Cc1cc(CN(Cc2ccc(-c3ccccc3F)s2)C(=O)CCl)no1 1875384524 RYFFSDRQYPJQRN-UHFFFAOYSA-N 378.856 4.618 50 50 GJGA c1ccc(P(NP(c2ccccc2)c2ccccc2)c2ccccc2)cc1 2559893 AVYXASMIUOIQII-UHFFFAOYSA-N 385.387 4.672 50 50 GJGA C[C@H]1CCc2c(C(=O)NNC(=O)Nc3ccc(Cl)cc3Cl)csc2C1 17081430 DHUKQWSSTMDVDU-VIFPVBQESA-N 398.315 4.646 50 50 GJGA Cc1cccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccc(C)c2)c1 5796278 OSARQVDXBBIVHO-WGOQTCKBSA-N 394.478 4.920 50 50 GJGA COc1cc(OC)c(NC(=O)Oc2ccc([N+](=O)[O-])cc2Cl)cc1Cl 2173812 UJKGJINROAUFHR-UHFFFAOYSA-N 387.175 4.530 50 50 GJGA COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)c2C)cc1 15685509 UROJMSXTYPZACD-ZHZULCJRSA-N 385.467 4.957 50 50 GJGA FC(F)(F)Oc1cc(Br)c(N=C=S)c(Br)c1 15444499 HCIDHLJKBHKHMV-UHFFFAOYSA-N 376.979 4.845 50 50 GJGA C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C 169747812 FBZANXDWQAVSTQ-UHFFFAOYSA-N 384.846 4.828 50 50 GJGA in-vitro N#CC1=C(N)Oc2cc3ccc(Br)cc3cc2[C@H]1c1ccc(F)cc1 4089791 NRICOWHMBLMCBV-LJQANCHMSA-N 395.231 4.960 50 50 GJGA C[C@H]1CCc2cc(C(=O)NNC(=O)Nc3cc(Cl)cc(Cl)c3)sc2C1 17081428 LSRRKTRIBNUZRO-VIFPVBQESA-N 398.315 4.646 50 50 GJGA Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cccc(Br)c2)cc1 4229780 HZBCGAGCLANDBQ-LPYMAVHISA-N 396.288 4.621 50 50 GJGA O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1 1811115 FVCSVNJCCZFKTQ-AUEPDCJTSA-N 398.253 4.629 50 50 GJGA N#CC1=C(N)Oc2cc3ccc(Br)cc3cc2[C@@H]1c1ccc(F)cc1 4089793 NRICOWHMBLMCBV-IBGZPJMESA-N 395.231 4.960 50 50 GJGA COc1ccccc1/C=C/C=N/NC(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1 4160117 HSCKJDSURRLDSD-KPDVKPKXSA-N 396.450 4.668 50 50 GJGA N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)C(=O)Nc1ccccc1 4723649 NJPPZDBVGZIYBU-GXDHUFHOSA-N 392.798 4.844 50 50 GJGA Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3O)c3ccccc3n2)cc1 5753328 SDDLHBRRFODBRP-MFKUBSTISA-N 381.435 4.680 50 50 GJGA COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(NC(C)=O)cc3)n2)cc1 16890444 JYVPAJDGHRRFPN-FOWTUZBSSA-N 390.468 4.754 50 50 GJGA CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC)c(O)c3)n2)cc1 5125542 NPYOLJQRYLROLY-MHWRWJLKSA-N 378.453 4.987 50 50 GJGA C=C[C@H]1O[C@H](OC)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OCc1ccc(OC)cc1 169836629 BROIXOCKNHTHEL-WTGUMLROSA-N 394.584 4.528 50 50 GJGA COC(=O)[C@@H]1C(O)=NC(SCc2ccccc2)=C(C#N)[C@@H]1c1ccc(C)cc1 9087568 SYACHHJHUNLOSE-OALUTQOASA-N 392.480 4.507 50 50 GJGA CC(=O)C1=C(C)NC(SCC(=O)c2ccccc2)=C(C#N)[C@H]1c1ccccc1 19759478 LDILPWICWJYKKI-JOCHJYFZSA-N 388.492 4.588 50 50 GJGA Cc1[nH]c2ccccc2c1/C=C(/C#N)C(=O)Nc1cccc(Br)c1 22147506 QMXXYJDNMNDPQP-LCYFTJDESA-N 380.245 4.785 50 50 GJGA C[Si](C)(C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C 169746866 VNRWTCZXQWOWIG-UHFFFAOYSA-N 384.846 4.828 50 50 GJGA Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 2568884 GOCQISKERWQHJQ-ZVHZXABRSA-N 378.859 4.991 50 50 GJGA O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1c[nH]nc1-c1cccs1 6622740 IGLGZEHGTNXQDE-LPYMAVHISA-N 388.452 4.694 50 50 GJGA Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(N(C)C)cc1 1192153 SQVQDYLPUROFRT-HMMYKYKNSA-N 384.483 4.706 50 50 GJGA O=C(N/N=C/c1ccc(F)cc1)c1ccccc1OCc1ccc(Cl)cc1 4360659 WVCKFJCKPHQWMZ-ZMOGYAJESA-N 382.822 4.822 50 50 GJGA C#CCOc1c(Br)cc(/C=C(/C#N)c2cccc(F)c2)cc1OC 16195317 OUHBJRDLAFERSR-NVNXTCNLSA-N 386.220 4.673 50 50 GJGA CCc1ccc(-c2n[nH]cc2/C=C(C#N)/C(O)=N/c2ccccc2[N+](=O)[O-])cc1 17079062 ZBDSJLCUVUGMFF-LFIBNONCSA-N 387.399 4.742 50 50 GJGA C[C@H](O[Si](C)(C)C(C)(C)C)c1ncc(CN[C@H](C)Cn2cccn2)s1 252481455 CMLQIGWXRQKDDA-CABCVRRESA-N 380.634 4.601 50 50 GJGA C/C(=N\NC(=O)Cc1cccc2ccccc12)c1ccc(Br)cc1 4534504 KNSGNQMEIJZOIJ-HYARGMPZSA-N 381.273 4.685 50 50 GJGA C/C(=N\NC(=O)CCn1c2c(c3ccccc31)CCCC2)c1ccc(F)cc1 13644180 LQLPITMAQHWFSY-PCLIKHOPSA-N 377.463 4.590 50 50 GJGA C[C@]12CC(=O)[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(C#N)O[Si](C)(C)C 253499500 IPIYLSHSOAXUMV-UFVRWTESSA-N 399.607 4.811 50 50 GJGA biogenic Cc1cccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(F)cc2)c1 5796269 HNQPYSPOUUYDIU-CVKSISIWSA-N 398.441 4.751 50 50 GJGA Cc1ccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 1211136 GSQLCPDJBLWLMW-WGOQTCKBSA-N 394.478 4.920 50 50 GJGA CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(C(C)(C)C)cc3)[nH]n2)cc1 5297753 FGCGWXSLYHRXSY-BUVRLJJBSA-N 390.487 4.537 50 50 GJGA Fc1ccc(/C(CCCCl)=N/NC(=S)Nc2ccc(F)cc2F)cc1 17078756 VLLBXQNLNFMUKM-HZHRSRAPSA-N 385.842 4.814 50 50 GJGA C[C@H](CCI)C[C@H](C(=O)OC(C)(C)C)[Si](C)(C)C 169832172 GWZXXKXYVTZIHZ-VXGBXAGGSA-N 384.374 4.888 50 50 GJGA Cc1ccc(C)c(-c2cc(C(=O)N/N=C/c3cccnc3)c3ccccc3n2)c1 15934138 GZMGDWIYRDOEQX-CVKSISIWSA-N 380.451 4.678 50 50 GJGA CCOc1ccc(C(=O)N/N=C/c2ccc3c(c2)c2ccccc2n3CC)cc1 647471 MBQOHDAUTCZJHV-PCLIKHOPSA-N 385.467 4.977 50 50 GJGA C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(C#N)O[Si](C)(C)C 252694312 IPIYLSHSOAXUMV-IPMRPHAHSA-N 399.607 4.811 50 50 GJGA biogenic CC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccccc3)c2C)cc1 15012399 OPOHYIGTKJYXJH-UCQKPKSFSA-N 397.478 4.520 50 50 GJGA N#C/C(=C(/O)c1ccc2c(c1)OCO2)c1nc2cc(C(F)(F)F)ccc2s1 101018133 GSXYXJLZJDBKDP-WJDWOHSUSA-N 390.342 4.994 50 50 GJGA O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1cccc(O)c1 726356 WMIDZJFLEWNGTJ-UFFVCSGVSA-N 375.211 4.723 50 50 GJGA Cc1cccc(N2C(N)=C(C#N)[C@H](c3cc(C)ccc3C)C3=C2CCCC3=O)c1 1108521 NWGLZVAIWLJUEV-QHCPKHFHSA-N 383.495 4.917 50 50 GJGA COc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 731291 CHHMRWUEGMQRHZ-ZVHZXABRSA-N 394.858 4.692 50 50 GJGA Cc1ccc(COc2ccc(/C=N/NC(=O)c3cccc(Cl)c3)cc2)cc1 2530387 KNCOYFLIODRFTI-ZVHZXABRSA-N 378.859 4.991 50 50 GJGA O=C(N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1cccnc1 4282640 JYSAZPPUCJIYHB-JFLMPSFJSA-N 399.425 4.717 50 50 GJGA Cc1ccsc1/C=N/NC(=O)c1cc(-c2ccccc2O)nc2ccccc12 6861314 FRBCCJYAUFJXMD-YDZHTSKRSA-N 387.464 4.741 50 50 GJGA CC1=C(C#N)[C@@H](c2cccnc2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 100079676 MIHMFOCWQWUHAJ-IIBYNOLFSA-N 375.859 4.620 50 50 GJGA C/C(=N\NC(=O)c1cc(C(C)C)cc(C(C)C)c1O)c1ccc(C(=O)O)s1 4651697 NIVZOGQARLKJFW-CIAFOILYSA-N 388.489 4.553 50 50 GJGA O=C(CCCl)Nc1nnc(SCc2ccc(Cl)cc2Cl)s1 2325809457 OJZWCWVLXURGEW-UHFFFAOYSA-N 382.725 4.705 50 50 GJGA C[C@]12CC(=O)[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(C#N)O[Si](C)(C)C 253499499 IPIYLSHSOAXUMV-PPSMKJHDSA-N 399.607 4.811 50 50 GJGA biogenic Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)c1 4819646 LWNLJVFDMMSLTF-MOSHPQCFSA-N 399.450 4.646 50 50 GJGA CO[C@@H]1[C@H](Sc2ccccc2)O[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC 169837395 PXJGWKJDLHWRPB-DZRGKWQISA-N 398.641 4.944 50 50 GJGA N#Cc1ccc(NNC(=O)c2ccc(SC(F)F)cc2)c(C(F)(F)F)c1 799753566 ICNMWHMIQLIXLJ-UHFFFAOYSA-N 387.333 4.649 50 50 GJGA CCCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)cc1 5126129 RXZYCFCKSIVXCN-PCLIKHOPSA-N 398.466 4.783 50 50 GJGA COc1cccc(N/C=C(\C#N)c2nc(-c3ccc(O)c(OC)c3)cs2)c1 6681964 GNWUQLWEHXFUME-SDNWHVSQSA-N 379.441 4.509 50 50 GJGA COc1ccc(/C=C(\C#N)C(=O)C(C)(C)C)cc1COCC(F)(F)C(F)F 6823172 FFLOSDCBQHUUPJ-NTUHNPAUSA-N 387.373 4.634 50 50 GJGA Cc1ccccc1[C@H]1C(C#N)=C(N)N(c2ccccc2Cl)C2=C1C(=O)CCC2 689147 YEOGXGRXJFINCI-NRFANRHFSA-N 389.886 4.953 50 50 GJGA O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1cc(-c2ccccc2)nc2ccccc12 1473145 BZWNCGZEMKXOCY-BUVRLJJBSA-N 396.406 4.574 50 50 GJGA O=C(CCl)Nc1ccc2c(c1)N(C(=O)c1ccccc1)c1ccccc1CC2 3181444 ICYQNVBTJBZJHC-UHFFFAOYSA-N 390.870 4.941 50 50 GJGA COc1ccc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1OC 4354644 RZTLQAXIUWKMBS-MFKUBSTISA-N 384.435 4.774 50 50 GJGA N#C/C(=C\c1ccccc1[N+](=O)[O-])c1nc(-c2cccc([N+](=O)[O-])c2)cs1 5008795 MOIGLAGBJCYHMI-RIYZIHGNSA-N 378.369 4.691 50 50 GJGA CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCC(C)C 5093864 RMDZUVADIQENQU-SIWQTBBHSA-N 384.520 4.722 50 50 GJGA O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1215976 CCCWUWOOALYJEK-BUVRLJJBSA-N 399.406 4.701 50 50 GJGA CCCCOc1ccc(/C=N/NC(=O)COc2ccc(OCCCC)cc2)cc1 4372850 KSWAJOBBGPOBEG-JJIBRWJFSA-N 398.503 4.574 50 50 GJGA C/C(=N\NC(=O)CSc1nc2ccccc2s1)c1ccc(Cl)cc1 4551783 IVACOEJWVBKLSB-RGVLZGJSSA-N 375.906 4.582 50 50 GJGA CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C(N)=C(C#N)[C@H]2c1ccccc1 715088 UVTWWURKDJUVML-JOCHJYFZSA-N 383.495 4.623 50 50 GJGA CCCN1CCC(=NNC(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 55075601 BZEQDNMGHVCBTP-UHFFFAOYSA-N 384.332 4.800 50 50 GJGA O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1O 825002 DBZYZVVPEZGUSH-UFFVCSGVSA-N 375.211 4.723 50 50 GJGA COc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(C#N)cc4)c3C)[nH]c2c1 4739908 FXJWYFABEFCQOL-ODLFYWEKSA-N 393.450 4.915 50 50 GJGA N#CC1=C(N)Oc2cc3ccc(Br)cc3cc2[C@@H]1c1cccs1 8781875 XZRRWBXPKRGBTA-KRWDZBQOSA-N 383.270 4.882 50 50 GJGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc(Cl)c1 706117 CNDGDTUKCKMPBM-MGPUTAFESA-N 376.843 4.548 50 50 GJGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cc(-c2ccc(CC(C)C)cc2)n[nH]1 946771 PEFDHWLCGFBIPI-AFUMVMLFSA-N 399.498 4.829 50 50 GJGA N#CC1=C(N)N(c2ccccc2F)C2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1 714184 CHOIVSGOJMYGEW-HXUWFJFHSA-N 393.849 4.784 50 50 GJGA COc1ccccc1/C=N/NC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1 731208 ZHYKVADPALPWIS-ZVHZXABRSA-N 394.858 4.692 50 50 GJGA C/C(=N\NC(=O)c1sccc1C)c1ccc(NC(=O)c2ccc(C)s2)cc1 4647120 CAGPXFIORMBYOF-HYARGMPZSA-N 397.525 4.833 50 50 GJGA O=C(N/N=C/c1ccccc1C1CC1)c1cc(-c2ccncc2)nc2ccccc12 1875263980 VBMVWHSSXFUSSK-JVWAILMASA-N 392.462 4.938 50 50 GJGA CC(C)c1ccc(NC(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 17079921 AHNPLJJJMKRSRC-MRXNPFEDSA-N 391.471 4.583 50 50 GJGA CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OC 4149879 WJTJEGYWMZMNDW-MDWZMJQESA-N 398.260 4.797 50 50 GJGA O=c1cc(CCl)[nH]c2c(-c3cccc4ccccc34)c(C(F)(F)F)nn12 101404851 RDXPGBXYEGTHBJ-UHFFFAOYSA-N 377.753 4.600 50 50 GJGA C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1OC 2143409 KIZVACVFYWJHMB-QFIPXVFZSA-N 384.435 4.631 50 50 GJGA CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@]2(CCCO2)[C@@]2(CCCO2)[C@]12CCCO2 169834170 RWNXAWXBTUSPBD-PBASOCQRSA-N 382.617 4.818 50 50 GJGA Cc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc2c(c1)OCO2 12393024 RBPLSPIPAVOMCQ-NVMNQCDNSA-N 387.395 4.795 50 50 GJGA N#C/C(=C\c1c(Cl)cccc1Cl)c1nn(-c2ccccc2)c(N)c1C#N 4322798 QYHBFRXAEIMVEP-FMIVXFBMSA-N 380.238 4.697 50 50 GJGA Cc1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 4360538 HMWGWLCZNPDZCL-ZVHZXABRSA-N 378.859 4.991 50 50 GJGA N#CC1=C(N)Oc2c(ccc3ccccc23)[C@@H]1c1cc(Br)cs1 1231704 ALJWFQPLRUTOOQ-INIZCTEOSA-N 383.270 4.882 50 50 GJGA CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(N)=C(C#N)[C@H]2c1ccsc1 1435761 UQOGZOGTYLCFKG-LJQANCHMSA-N 375.497 4.689 50 50 GJGA O=C1c2ccccc2[C@H](Br)CCC1(Br)Br 5379432 YIACNNDOTKGYFX-SECBINFHSA-N 396.904 4.585 50 50 GJGA COc1ccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccccc3)o2)cc1 5074131 PZXRSPGLUZFPLF-SQFISAMPSA-N 376.437 4.985 50 50 GJGA O=C(Oc1cccc(/C=N/NC(=O)C2CCCCC2)c1)c1ccc(Cl)cc1 2521871 RCEQVSZZDFGOAM-OEAKJJBVSA-N 384.863 4.590 50 50 GJGA COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 2597256 XPLGEFBRXIYDDB-ZVHZXABRSA-N 394.858 4.692 50 50 GJGA Cc1ccc(COc2ccc(C(=O)N/N=C/c3ccccc3Cl)cc2)cc1 4360580 YLYKIZVUWLTCAK-ZVHZXABRSA-N 378.859 4.991 50 50 GJGA O=C(COc1cccc(Cl)c1Cl)N/N=C/c1ccc(Cl)cc1Cl 2521910 GOXJBRSOWIDFEH-IFRROFPPSA-N 392.069 4.829 50 50 GJGA Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 4209419 CMAIEBRILINXCG-MFKUBSTISA-N 383.451 4.717 50 50 GJGA CCCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(Cl)cc3)[nH]n2)cc1 5579839 FCJGZIXVOAFSBT-OEAKJJBVSA-N 396.878 4.673 50 50 GJGA Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2)c1C 13520434 PGHSMNHUSPWFKH-MOSHPQCFSA-N 399.450 4.646 50 50 GJGA Cc1cc(OCC(=O)N/N=C/c2c(Cl)cccc2Cl)cc(C)c1Cl 1234679 ZEEWGRYBBSGVDC-ODCIPOBUSA-N 385.678 4.793 50 50 GJGA CC(C)(C)C1CCC(=NNC(=O)COc2ccc(Br)cc2)CC1 4366302 GCVHOQNNWCKVLK-UHFFFAOYSA-N 381.314 4.536 50 50 GJGA CC(C)(C)c1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)c1 2325809568 KIWOAVWBXUBYOX-BUVRLJJBSA-N 395.503 4.883 50 50 GJGA Cc1ccc(/C=N/NC(=O)c2cc(C3CC3)nc3ccc(Br)cc23)o1 2730356 CRTCNGQXFSKXTF-UFFVCSGVSA-N 398.260 4.540 50 50 GJGA COc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1 5354411 JCZJIQHSVOCDAA-PCLIKHOPSA-N 396.450 4.516 50 50 GJGA O=C(N/N=C/c1ccc(Sc2cccc3cccnc23)o1)c1cccc(F)c1 2870147 UMXMAJOAHNTJOH-ZMOGYAJESA-N 391.427 4.882 50 50 GJGA O=C(CCl)Nc1ccc(Br)cc1C(=O)c1ccc(Cl)cc1 252493648 NFCIYAYXYWMEFC-UHFFFAOYSA-N 387.060 4.511 50 50 GJGA Cn1c(-c2ccccc2P(c2ccccc2)c2ccccc2)nc2ccccc21 101772762 BVVIYNVQLLTULW-UHFFFAOYSA-N 392.442 4.999 50 50 GJGA O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(F)cc1 2578296 SCLDRJSLAVYAOU-ZMOGYAJESA-N 382.822 4.822 50 50 GJGA Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(C(=O)O)cc2)c1C 4710623 BZGDLNJWQCXTOE-MOSHPQCFSA-N 399.450 4.646 50 50 GJGA O=C(N/N=C/c1c[nH]c2ccccc12)[C@@H]1CC1(c1ccccc1)c1ccccc1 704204 HHLPSPFZUGDXCY-XDQFAZSOSA-N 379.463 4.624 50 50 GJGA Cc1ccc2[nH]c(C(=O)N/N=C/c3ccc4c(c3)OCO4)c(-c3ccccc3)c2c1 1199138 KHWYBCKOMWBOBK-DHRITJCHSA-N 397.434 4.636 50 50 GJGA CC(C)(C)c1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(C(C)(C)C)c1O 1228478 MQUCXEUAUROOMX-LJQANCHMSA-N 394.515 4.802 50 50 GJGA COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C#N)[C@@H]3c2ccc(F)cc2)cc1 853804 RYMRDQRTYGLJQV-HXOBKFHXSA-N 388.442 4.719 50 50 GJGA CCOc1ccc(/C(CC)=N/NC(=O)c2n[nH]c3c2C[C@@H](C(C)(C)C)CC3)cc1 5353790 QHLXPHSPZWMTCU-UAFKWENTSA-N 396.535 4.504 50 50 GJGA Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C2CCCCC2)cc1 2521968 ABURFHGJNWESDS-PCLIKHOPSA-N 386.499 4.878 50 50 GJGA N#Cc1ccc(NNC(=O)c2cc(F)c(Cl)cc2Cl)c(C(F)(F)F)c1 799749411 QRAAIOLYITUFNX-UHFFFAOYSA-N 392.139 4.780 50 50 GJGA COc1ccccc1[C@H]1CC(=O)NC(SCc2ccc(Cl)cc2)=C1C#N 9330091 VZXWMAWCZGWGEC-MRXNPFEDSA-N 384.888 4.621 50 50 GJGA CCOC(=O)c1c(NC(=O)[C@H](C)Cl)sc2c1CC[C@H](c1ccccc1)C2 74941460 SVCCYEFMYXEENE-JSGCOSHPSA-N 391.920 4.763 50 50 GJGA Cc1ccc(N2C(N)=C(C#N)[C@H](c3ccccc3)C3=C2CC(C)(C)CC3=O)cc1 1058248 WNFVCDGQLWCYDJ-QFIPXVFZSA-N 383.495 4.936 50 50 GJGA Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2)c(C)n1-c1ccc(C(N)=O)cc1 12363015 AWNWEGMAGNDOEC-UNOMPAQXSA-N 375.859 4.911 50 50 GJGA COc1cc(/C=C(/C#N)c2ccc(F)cc2)ccc1OCc1ccc(C(=O)O)o1 13616243 OBFVZGKWVQGPIN-YBEGLDIGSA-N 393.370 4.769 50 50 GJGA Cc1ccc(-c2ccc(/C=C(\C#N)c3nc(O)c4ccccc4n3)o2)c([N+](=O)[O-])c1 4137488 BPWPLZQIEGXBGZ-SDNWHVSQSA-N 398.378 4.876 50 50 GJGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1 4259384 DJLSNSFEDXMVBN-ZVHZXABRSA-N 392.842 4.632 50 50 GJGA CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2CCc1ccc(C(C)(C)C)cc1 1143226 CVPLWRCDMWEQIE-QGZVFWFLSA-N 378.516 4.900 50 50 GJGA O=C(NNC(=O)c1sc2ccccc2c1Cl)Nc1ccc(Cl)cc1 822248 UHRSEIPEWNQMHU-UHFFFAOYSA-N 380.256 4.675 50 50 GJGA aggregator Cc1ccc(N2C(N)=C(C#N)[C@@H](c3cccs3)C3=C2CC(C)(C)CC3=O)cc1 1057907 ZLJFWDJUEKBVDO-FQEVSTJZSA-N 389.524 4.997 50 50 GJGA O=C(N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cccc(F)c1 1229848 INOKJENDVYITMZ-BHGWPJFGSA-N 376.309 4.868 50 50 GJGA Cc1nn(-c2ccc3ccccc3c2)c2c1[C@H](c1ccccc1F)C(C#N)=C(N)O2 2850595 IPYNROQUBLDHLX-JOCHJYFZSA-N 396.425 4.691 50 50 GJGA C/C(=N\NC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1)c1ccc(F)cc1 5353885 OSMOIWLSYAUFCM-VULFUBBASA-N 398.441 4.622 50 50 GJGA CCOc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)cc1 8463470 WQYKFBAFCPEDIG-PCLIKHOPSA-N 398.466 4.783 50 50 GJGA Cc1nn(C)c(NC(=O)NNc2ccc(C(F)(F)F)cc2)c1-c1ccccc1 1875303912 RYFOYSCIONKYAJ-UHFFFAOYSA-N 389.381 4.563 50 50 GJGA Cc1ccc(C(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)cc1 2584834 WHTOGHIMDMGORJ-ZVHZXABRSA-N 392.842 4.632 50 50 GJGA Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)nc2c1 4955387 WLPODNUCECUFHZ-ATVHPVEESA-N 387.443 4.834 50 50 GJGA aggregator COc1cc(/C=C(/C#N)c2ccc(F)cc2)ccc1Oc1ccc([N+](=O)[O-])cn1 17355389 FKBRLNAVVOKALA-YBEGLDIGSA-N 391.358 4.994 50 50 GJGA aggregator O=C(NN=C1c2ccccc2-c2ccccc21)c1ccccc1Br 2837515 HVMJEUBSNOSYSA-UHFFFAOYSA-N 377.241 4.612 50 50 GJGA O=C(N/N=C/c1cccc(Cl)c1Cl)c1cc(-c2ccc(Cl)cc2)n[nH]1 5297309 MJGMVWBLOPBGEC-ZVBGSRNCSA-N 393.661 4.801 50 50 GJGA N#C/C(=C\c1ccc(COc2ccccc2Cl)o1)C(=O)NC1CCCCC1 17078627 SRZSHLGVWTXYAM-NTCAYCPXSA-N 384.863 4.868 50 50 GJGA N#Cc1ccc(NNC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nc2)cc1 155443906 SXKUTFAHQFUMRB-UHFFFAOYSA-N 399.237 4.809 50 50 GJGA CCC(=O)Nc1ccc(/C(C)=N/NC(=O)C(c2ccccc2)c2ccccc2)cc1 5524236 RYNSWLFADBDQJW-OVVQPSECSA-N 399.494 4.707 50 50 GJGA CC(/C=N/NC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)[nH]n1)=C\c1ccccc1 6780319 BIAGHROKFJJQEE-JIZDPXAYSA-N 388.515 4.697 50 50 GJGA Br[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1S[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1Br 245312280 SSHGJJMUKDEIMS-UEICNUPNSA-N 380.189 4.844 50 50 GJGA O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc(O)cc1 253470677 FTMZTAGKQIPIPC-WGOQTCKBSA-N 396.446 4.888 50 50 GJGA CCOc1cccc(-c2cc(C(=O)N/N=C(\C)c3ccc4ccccc4c3)[nH]n2)c1 946262 SYLFVIAXMGUWAX-PCLIKHOPSA-N 398.466 4.783 50 50 GJGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/C=C/c1ccccc1 102294820 OXRSNVFZJQHZNI-LJSGYPLMSA-N 385.552 4.839 50 50 GJGA Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@@H](c2ccccc2)C2=C1CCCC2=O 713506 WXPQATOXMKQGFD-OAQYLSRUSA-N 389.886 4.953 50 50 GJGA O=C(NNC(=O)c1ccc(Cl)cc1Cl)Nc1ccc(Cl)c(Cl)c1 2143117 QSTSCAZEAFKOHB-UHFFFAOYSA-N 393.057 4.767 50 50 GJGA C[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1ccccc1Br 2839154 HCWVPJBXZGMAKS-CYGNYLSHSA-N 397.272 4.520 50 50 GJGA COC(=O)[C@H]1C(O)=NC(SCc2ccccc2)=C(C#N)[C@@H]1c1ccc(C)cc1 9087569 SYACHHJHUNLOSE-RBUKOAKNSA-N 392.480 4.507 50 50 GJGA CC1CCN(c2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2[N+](=O)[O-])CC1 4455858 LAJYTFMCMKGYEA-SFQUDFHCSA-N 387.443 4.772 50 50 GJGA O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cc(-c2ccc(Cl)s2)n[nH]1 5314426 WXPMIOKPZKKODY-FBCYGCLPSA-N 399.690 4.862 50 50 GJGA CCOc1cc(/C=C(/C#N)S(=O)(=O)c2ccccc2)ccc1OC1CCCC1 32573661 KCESEOPUYYRVNR-ZHZULCJRSA-N 397.496 4.745 50 50 GJGA O=C(CSc1nc2ccccc2s1)N/N=C/c1c(Cl)cccc1Cl 1771947 ZVDSWQDXFPOKPV-UFWORHAWSA-N 396.324 4.846 50 50 GJGA COc1cccc(N/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c1 2279506 OBJWAGQZCHECNS-GXDHUFHOSA-N 377.425 4.524 50 50 GJGA O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(Cl)cc1Cl 4877587 OIIUGOKSVAEHDE-UFWORHAWSA-N 396.324 4.846 50 50 GJGA COc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)c([N+](=O)[O-])cc1OC 2871641 MLTBQQKLDQOMMS-KPKJPENVSA-N 399.453 4.878 50 50 GJGA COc1ccc(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC 5008831 GEJOKCLBVINEEJ-OVCLIPMQSA-N 393.424 4.800 50 50 GJGA CCOC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@@H]1c1ccc(SC)cc1 4751311 SXSLMYAHTLXWRE-IBGZPJMESA-N 380.469 4.553 50 50 GJGA O=C(N/N=C/c1c(F)cccc1Cl)c1cc(-c2cccc3ccccc23)n[nH]1 5297615 BNKLDHYJJCIJGI-WYMPLXKRSA-N 392.821 4.786 50 50 GJGA COc1cc(/C=C(\C#N)c2nc(-c3cccs3)cs2)c([N+](=O)[O-])cc1OC 4866691 WYLKRYDBALBABR-WUXMJOGZSA-N 399.453 4.861 50 50 GJGA C[C@@H](Oc1ccc(Br)cc1)C(=O)NN=C1CCC(C(C)(C)C)CC1 4372717 YSZQUXIYDHWSRW-KWCCSABGSA-N 395.341 4.925 50 50 GJGA CO[C@H]1[C@H](OC)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O[C@@H]1Sc1ccccc1 169837397 PXJGWKJDLHWRPB-SXXASDTRSA-N 398.641 4.944 50 50 GJGA CC1(C)CC(=O)C2=C(C1)OC(n1cccc1)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1 4751372 KPGKCOGOUJASIP-IBGZPJMESA-N 389.411 4.546 50 50 GJGA COc1cccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)c2ccccc2n3C)c1 17077948 FCRBLKSQBBOIKQ-SFQUDFHCSA-N 381.435 4.886 50 50 GJGA N#C/C(=C\c1ccc(COc2cccc(Cl)c2)o1)C(=O)NC1CCCCC1 17078626 UOXCUSXGROBTSK-RVDMUPIBSA-N 384.863 4.868 50 50 GJGA O=C(N/N=C/c1ccc(F)cc1)c1ccc(OCc2ccc(Cl)cc2)cc1 4360494 NGBLLBFSCOYLLW-ZMOGYAJESA-N 382.822 4.822 50 50 GJGA Cl[C@H]1[C@@H]2[C@H]([C@H]3C=C[C@H]2c2cccc(I)c23)[C@H]1Cl 254627687 CLNJDPHWYNPRTG-JKFTZAAJSA-N 377.052 4.503 50 50 GJGA Cl[C@@H]1[C@H](Cl)[C@@H]2[C@H]3C=C[C@@H](c4cccc(I)c43)[C@@H]12 254627692 CLNJDPHWYNPRTG-PXNQESDJSA-N 377.052 4.503 50 50 GJGA O=C(CCn1c2c(c3ccccc31)CCCC2)N/N=C/c1c[nH]c2ccccc12 1254579 VGELIIPOICUTSZ-WGOQTCKBSA-N 384.483 4.542 50 50 GJGA CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(N)=C(C#N)[C@@H]2c1ccsc1 1435760 UQOGZOGTYLCFKG-IBGZPJMESA-N 375.497 4.689 50 50 GJGA Cc1ccccc1C(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 2553376 ADHLGMOFSLQOAL-ZVHZXABRSA-N 392.842 4.632 50 50 GJGA C/C(=N\NC(=O)c1sccc1-n1cccc1)c1cccc(C(F)(F)F)c1 5621000 QRVMNGVSXCUIFM-WSDLNYQXSA-N 377.391 4.712 50 50 GJGA COc1ccc2c(Cl)c(C(=O)N/N=C/c3cc(Cl)ccc3O)sc2c1 5676248 RAYVTNXRJLQPDA-DNTJNYDQSA-N 395.267 4.686 50 50 GJGA CSc1ccc([C@H]2C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CCC3)cc1 713597 ABIJROWADOHEER-NRFANRHFSA-N 387.508 4.713 50 50 GJGA N#CC1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1ccc(Br)cc1 4073076 ORENNRPNGIBKAP-GOSISDBHSA-N 377.241 4.820 50 50 GJGA Cc1cc(C)c(C)c([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c1C 792556 PEEOSITXVIFAOE-QFIPXVFZSA-N 384.483 4.633 50 50 GJGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccs2)[C@@H]2C[C@@H](c3ccccc3)CC=C12 5409293 MCKRCQNHIRZESC-CDXJDZJCSA-N 382.492 4.735 50 50 GJGA O=C(COc1ccc(Cl)cc1)N/N=C/c1cccc(Oc2ccccc2)c1 1209196 ALETXSQRNUQMNR-OEAKJJBVSA-N 380.831 4.661 50 50 GJGA Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 629588 RGQHSGXBQAXBJO-GOSISDBHSA-N 397.265 4.706 50 50 GJGA CCCOc1ccc(-c2cc(C(=O)N/N=C/c3cccc4ccccc34)[nH]n2)cc1 4678046 QCMRPWFKDOQGJR-PCLIKHOPSA-N 398.466 4.783 50 50 GJGA C[C@@H](CCI)C[C@@H](C(=O)OC(C)(C)C)[Si](C)(C)C 169832166 GWZXXKXYVTZIHZ-RYUDHWBXSA-N 384.374 4.888 50 50 GJGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1Cl 752592 IOLXKUYTMGLVPP-VBKZILBWSA-N 376.843 4.548 50 50 GJGA COc1cccc(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1OC 5008808 USMHUBOMSOVHEP-OQLLNIDSSA-N 393.424 4.800 50 50 GJGA Cc1ccc(N2C(N)=C(C#N)[C@@H](c3ccccc3)C3=C2CC(C)(C)CC3=O)cc1 1058250 WNFVCDGQLWCYDJ-JOCHJYFZSA-N 383.495 4.936 50 50 GJGA COc1ccccc1NC(=O)/C(C#N)=C/c1ccc2c(c1)c1ccccc1n2C 17077949 FEBMVYSJGULYFE-GHRIWEEISA-N 381.435 4.886 50 50 GJGA Cc1scc(C(=O)N/N=C/c2cc3c(cc2Cl)OCO3)c1-c1ccccc1 2785316 PBQRUXHQZGQHOQ-LSFURLLWSA-N 398.871 4.870 50 50 GJGA O=C(N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccncc1 25504488 BTZSWZYPUSRHCF-JFLMPSFJSA-N 399.425 4.717 50 50 GJGA CCC(=O)N(c1ccccc1)C1CCN(CCc2ccc(N=C=S)cc2)CC1 2507598 VDKBIFPJULZUPU-UHFFFAOYSA-N 393.556 4.871 50 50 GJGA in-vitro COc1cc([N+](=O)[O-])ccc1N/C=C(\C#N)c1nc(-c2ccccc2)cs1 4982609 RGHHZXFNBYRYOH-SDNWHVSQSA-N 378.413 4.703 50 50 GJGA Cc1ccc(N2C(N)=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C2CCCC3=O)cc1 705448 OSNHAGVIOCKUCB-NRFANRHFSA-N 389.886 4.953 50 50 GJGA O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccccc1O 726352 LQPYSIDNODABHK-UFFVCSGVSA-N 375.211 4.723 50 50 GJGA Cn1cccc1C(=O)N/N=C\c1ccccc1Oc1ccc(Cl)cc1Cl 8887681 LFNVRRFHOUYXNV-UUYOSTAYSA-N 388.254 4.888 50 50 GJGA CCOc1ccccc1/C=N/NC(=O)CCn1c2ccccc2c2ccccc21 1237013 MOXXQGMIUOJCPP-KOEQRZSOSA-N 385.467 4.734 50 50 GJGA CCCCOc1ccc(C(=O)N/N=C/c2cc3ccccc3nc2Cl)cc1 4209503 OGNXKRYJLBOTOR-OEAKJJBVSA-N 381.863 4.831 50 50 GJGA COc1cc2c(cc1OC)[C@@H](NC(=O)CCCC[C@H]1CCSS1)CC2 886025429 NWYRSCRYCBNAQN-HOCLYGCPSA-N 381.563 4.521 50 50 GJGA Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 629590 RGQHSGXBQAXBJO-SFHVURJKSA-N 397.265 4.706 50 50 GJGA N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)NCc1ccco1 781381 RYCBFBPDOOLOBR-LDADJPATSA-N 399.425 4.645 50 50 GJGA aggregator Cc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 17080964 NVMPTMDNGFTXFY-DHDCSXOGSA-N 396.372 4.950 50 50 GJGA COc1ccc2c(c1)CCC[C@H]2CN(Cc1ccsc1C)C(=O)CCl 1875384541 SFJFESILZDCCDX-KRWDZBQOSA-N 377.937 4.753 50 50 GJGA Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(O)cc3)c3ccccc3n2)cc1 5753305 CEQQHOVUWDCXKC-MFKUBSTISA-N 381.435 4.680 50 50 GJGA N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1c(Cl)cccc1Cl 18161810 WEBUHYKSQBBRPL-CQSZACIVSA-N 383.238 4.602 50 50 GJGA CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C(N)=C(C#N)[C@@H]2c1ccccc1 715087 UVTWWURKDJUVML-QFIPXVFZSA-N 383.495 4.623 50 50 GJGA O=C(CSCc1ccccc1)N/N=C/c1ccccc1OCc1ccccc1 2898521 CLLNPIBGVXNLRQ-BUVRLJJBSA-N 390.508 4.649 50 50 GJGA CC(/C=N/NC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1)=C\c1ccco1 5126159 CRAOKAQHOLIFNY-OTYRKZHSSA-N 396.450 4.741 50 50 GJGA Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1 2520059 LJGKVYCGQISKIF-ZVHZXABRSA-N 392.842 4.632 50 50 GJGA O=C(N/N=C/c1ccc2c(c1)OCO2)c1sc2cccc(Cl)c2c1Cl 667731 YKYUTGJHMQGHDK-IFRROFPPSA-N 393.251 4.701 50 50 GJGA CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)ccc1O 4071221 HQZKAVQWRXQLIV-MHWRWJLKSA-N 378.453 4.987 50 50 GJGA CCSC1=C(C#N)[C@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N1 4645653 OZARBJGYCNRVJI-GOSISDBHSA-N 381.526 4.836 50 50 GJGA O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cc(-c2ccccc2Cl)n[nH]1 5126170 GNJNDMYPJLOPHW-ZVBGSRNCSA-N 393.661 4.801 50 50 GJGA CC1=C(C#N)[C@H](c2cccnc2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 100079675 MIHMFOCWQWUHAJ-IERDGZPVSA-N 375.859 4.620 50 50 GJGA COC(=O)/C(C#N)=C/c1cn(Cc2cccc(C(F)(F)F)c2)c2ccccc12 17078416 CYTKKMCJBDBQNC-XNTDXEJSSA-N 384.357 4.788 50 50 GJGA O=C(N/N=C\c1ccc(-c2ccccc2)cc1)c1cccc(Br)c1 32609435 QLJTUPLMGIRPRF-HMAPJEAMSA-N 379.257 4.880 50 50 GJGA CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 1245060 OENLGNLZUMRIJK-LJQANCHMSA-N 390.874 4.696 50 50 GJGA O=C(N/N=C/c1ccccc1)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 2479355 DQHKNWHIRCSSMU-KOEQRZSOSA-N 378.435 4.575 50 50 GJGA N#CC1=C(N)Oc2[nH]nc(-c3cccc4ccccc34)c2[C@@H]1c1cccc(F)c1 1174917 AYVBTQWKVWJFCC-LJQANCHMSA-N 382.398 4.587 50 50 GJGA Cc1ccc(C(=O)N/C(=C\Cl)P(=O)(c2ccccc2)c2ccccc2)cc1 8683014 WKDUXYWAOZKZJW-LTGZKZEYSA-N 395.826 4.777 50 50 GJGA O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1cc(-c2ccc(Cl)cc2)n[nH]1 5297310 YTBXORDFPVYYFZ-ZVBGSRNCSA-N 393.661 4.801 50 50 GJGA COc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1cccc(Br)c1 22147569 FDVYWHNIURVPBZ-GHXNOFRVSA-N 391.652 4.657 50 50 GJGA O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1ccccc1F 2513489 KHSRGSUOBZKNGB-ZMOGYAJESA-N 382.822 4.822 50 50 GJGA COc1ccc(/C(C)=N/NC(=O)CCn2c3ccccc3c3ccccc32)cc1 5516925 FCDOTIVCLQAGQG-KOEQRZSOSA-N 385.467 4.734 50 50 GJGA CCOc1ccc(/C=N\NC(=O)c2ccc(-c3ccccc3)cc2)c(OCC)c1 30951360 LMKDFTUNCZEYAC-UQQQWYQISA-N 388.467 4.915 50 50 GJGA CC1=C(C#N)C(c2ccc(-c3ccccc3Br)o2)C(C#N)=C(C)N1 25694782 XCELBJAVKUDTJC-UHFFFAOYSA-N 380.245 4.991 50 50 GJGA O=C(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl 95671232 UXMNQDVITLEYEF-UHFFFAOYSA-N 398.958 4.760 50 50 GJGA in-vitro CSc1ccc([C@@H]2C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CCC3)cc1 713598 ABIJROWADOHEER-OAQYLSRUSA-N 387.508 4.713 50 50 GJGA Cc1ccc(/C=N/NC(=O)c2ccccc2OCc2ccc(Cl)cc2)cc1 4365494 SCCQECKADJIUBH-ZVHZXABRSA-N 378.859 4.991 50 50 GJGA C=C[C@H]1O[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OCc1ccc(OC)cc1 169836631 BROIXOCKNHTHEL-ZRNYENFQSA-N 394.584 4.528 50 50 GJGA CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)cc1 2553629 XHAKSMRIOYBOIL-PCLIKHOPSA-N 388.467 4.737 50 50 GJGA Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc2c(c1)OCO2 12363439 PVSULMXXAYHNLT-ZDLGFXPLSA-N 387.395 4.795 50 50 GJGA C/C(=N/NC(=O)c1cccc(Br)c1)c1ccc2c3c(cccc13)CC2 4946910 ZEFBDFIUAUHQGA-QRVIBDJDSA-N 393.284 4.855 50 50 GJGA N#CC1=C(N)N(c2ccccc2Cl)C2=C(C(=O)CCC2)[C@@H]1c1cccs1 6045441 QLKZZKNWTLCVRH-SFHVURJKSA-N 381.888 4.706 50 50 GJGA CSc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 752405 BANZCZOAIOMHOB-IERDGZPVSA-N 388.492 4.617 50 50 GJGA N#CC1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1ccc(F)c(Br)c1 1231707 VOWJLMKKBXGJMR-GOSISDBHSA-N 395.231 4.960 50 50 GJGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccccc1Cl 102294898 UZCREJFUSHPIFT-LFVJCYFKSA-N 393.959 4.827 50 50 GJGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1Cl 752589 IOLXKUYTMGLVPP-VLIAUNLRSA-N 376.843 4.548 50 50 GJGA O=C(NN=C1c2ccccc2-c2ccccc21)c1ccc(Br)cc1 2832243 PQTWBBVVGYNKRA-UHFFFAOYSA-N 377.241 4.612 50 50 GJGA CCOc1ccc(/C=N/NC(=O)c2sc3cc(OC)ccc3c2Cl)cc1 5673369 ICBHYOMEVNVFCY-SRZZPIQSSA-N 388.876 4.726 50 50 GJGA COc1ccc(/C=N/NC(=O)c2cccc(COc3ccccc3Cl)c2)cc1 2751527 PQLWUVXHKMSBEX-ZVHZXABRSA-N 394.858 4.692 50 50 GJGA ClCc1cc(I)c(OCc2ccccc2)c(Cl)n1 40564618 IQOYARQNLNWGCQ-UHFFFAOYSA-N 394.039 4.657 50 50 GJGA O=C(N/N=C/c1ccc(-c2ccccc2)cc1)c1n[nH]c2c1CCc1ccccc1-2 6025714 XXNCVCUNXQTDPN-WGOQTCKBSA-N 392.462 4.606 50 50 GJGA Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cc4ccccc4o3)cc2)cc1 4210514 NBEKORGRHDBAJL-MFKUBSTISA-N 398.418 4.724 50 50 GJGA COc1ccc(OC)c(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 5008825 AZCBNYYMFCINQB-OVCLIPMQSA-N 393.424 4.800 50 50 GJGA Cc1nn(-c2ccccc2)c2c1[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2 634332 LCELAGJZSJSQHN-QGZVFWFLSA-N 397.265 4.706 50 50 GJGA CC(C)(C)c1cc(C(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)[nH]n1 4955848 DGWSZUQDXAVOMT-ZMOGYAJESA-N 398.551 4.772 50 50 GJGA COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)Cc1cccc2ccccc12 2885411 PKRWXDQAQXHHJS-FSJBWODESA-N 387.266 4.848 50 50 GJGA O=C(N/N=C/c1ccc(F)cc1)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 755427 PPVUIBZQFVMLFI-WGOQTCKBSA-N 396.425 4.714 50 50 GJGA CCOc1ccccc1/C=N/NC(=O)c1ccc(OCc2ccc(C)cc2)cc1 4360607 XGXHPAXNKNAUSN-PCLIKHOPSA-N 388.467 4.737 50 50 GJGA COc1cccc(/C=N/NC(=O)c2ccccc2OCc2ccc(Cl)cc2)c1 4365479 KQABSDKXUYLJNR-ZVHZXABRSA-N 394.858 4.692 50 50 GJGA CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2 1245061 OENLGNLZUMRIJK-IBGZPJMESA-N 390.874 4.696 50 50 GJGA O=C(N/N=C(/c1ccc(Br)cc1)C1CC1)c1ccc(Cl)s1 17078383 XVFOLFXKCZHBJJ-NBVRZTHBSA-N 383.698 4.708 50 50 GJGA COc1ccc(-c2n[nH]cc2/C=N\NC(=O)c2ccc(-c3ccccc3)cc2)cc1 4631265 NLHNRUUOQKFYOR-QQXSKIMKSA-N 396.450 4.516 50 50 GJGA Cc1ccccc1C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 2584761 RRWLJYHWQNUTBG-ZVHZXABRSA-N 392.842 4.632 50 50 GJGA C=CCOc1ccc(C(=O)N/N=C/c2cc3ccc(C)cc3nc2Cl)cc1 5795848 ZAWCOCMAINBNSP-YDZHTSKRSA-N 379.847 4.525 50 50 GJGA Cc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1 4372704 FLWRGBXHEMCURN-ZVHZXABRSA-N 392.842 4.632 50 50 GJGA O=C(N/N=C/c1ccc(F)cc1)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1 5052304 YSJJMIQYORZVJI-MFKUBSTISA-N 384.414 4.647 50 50 GJGA CC(C)(C)[Si](C)(C)OC[C@H]1OC(=O)[C@@H](Cl)[C@@H]1O[Si](C)(C)C(C)(C)C 328578378 JOLJJTLIRSHWFN-HZSPNIEDSA-N 395.088 4.931 50 50 GJGA Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(C)n1-c1cccc([N+](=O)[O-])c1 1191707 LSXXLTLJCQSECP-LDADJPATSA-N 386.411 4.548 50 50 GJGA O=C(COc1cccc(Cl)c1Cl)N/N=C/c1cccc(Cl)c1Cl 4302398 BZUXFPXMWQZSOP-IFRROFPPSA-N 392.069 4.829 50 50 GJGA Cc1ccc(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n[nH]2)cc1 4566851 RPMSNSQPGIVUSP-PCLIKHOPSA-N 380.451 4.816 50 50 GJGA CC1=C(C#N)[C@@H](c2cccnc2)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 100079674 MIHMFOCWQWUHAJ-HRAATJIYSA-N 375.859 4.620 50 50 GJGA COc1cc(/C(C#N)=C/c2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OC 838874 LSVGTCZWQYTFNB-VZUCSPMQSA-N 379.199 4.983 50 50 GJGA CCCOc1ccc(C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1 2553544 OCCHFNKHMFITRE-KOEQRZSOSA-N 388.467 4.818 50 50 GJGA O=C(Oc1ccc(Br)cc1)O[C@@H](Cl)C(Cl)(Cl)Cl 3080907 YQJMHYLPMYSOCQ-SSDOTTSWSA-N 382.852 4.900 50 50 GJGA CCOc1c(Br)cc(/C=C(/C#N)c2cccc(C#N)c2)cc1OC 4811138 TXBUGFBYTSQLTO-PXNMLYILSA-N 383.245 4.792 50 50 GJGA C/C(=N\NC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1)c1ccc(C)cc1 5296775 HUZSFBHEGYIPMG-WGOQTCKBSA-N 394.478 4.791 50 50 GJGA CCOc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)O 13545142 PEGMZBLBRSXZCB-AUWJEWJLSA-N 392.238 4.920 50 50 GJGA CCCCCC(=O)NNS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C 2860002 PYYJWHLBONABPT-UHFFFAOYSA-N 396.597 4.947 50 50 GJGA CCOc1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(C)cc3)cc2)cc1 4360555 GNSJHWPERVIJLD-PCLIKHOPSA-N 388.467 4.737 50 50 GJGA Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1 1219178 SYPSRBWHGHGEKW-XSFVSMFZSA-N 384.435 4.825 50 50 GJGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(Cl)c3)cc2)c1 2585015 IHKPSMPALQMZIR-ZVHZXABRSA-N 392.842 4.632 50 50 GJGA O=C(NNC(=O)c1sc2cc(Cl)ccc2c1Cl)Nc1ccccc1 2764212 RHILCMDKJGRRFT-UHFFFAOYSA-N 380.256 4.675 50 50 GJGA N#C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 3997722 MVTFIEDXCKHBRQ-NTEUORMPSA-N 378.369 4.691 50 50 GJGA C[C@H](Oc1ccc(Br)cc1)C(=O)NN=C1CCC(C(C)(C)C)CC1 4372716 YSZQUXIYDHWSRW-LSLKUGRBSA-N 395.341 4.925 50 50 GJGA COC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C/c1c[nH]c2ccccc12 17080385 ASSPUSGHSWQDLF-MDWZMJQESA-N 393.468 4.685 50 50 GJGA N#Cc1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 334161160 VFENWNDETVKKNZ-AFUMVMLFSA-N 389.842 4.555 50 50 GJGA COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 2056553 YPLHXMRJUBTVFI-ZVHZXABRSA-N 394.858 4.692 50 50 GJGA C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccc(Cl)cc1 3088033 KVGLHJQYXXEWPP-DTVDJLOLSA-N 378.859 4.925 50 50 GJGA FC(F)(Br)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 95719217 SVYMHCRYHZSRKD-UHFFFAOYSA-N 392.203 4.926 50 50 GJGA in-vitro ICCCCCCCCCCI 6844955 CKJCTZAIDVFHCX-UHFFFAOYSA-N 394.078 4.977 50 50 GJGA in-vitro CC1=C(C#N)[C@H](c2ccc(O)cc2)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 19762273 XBCIIRURVDSLLI-AOMKIAJQSA-N 390.870 4.931 50 50 GJGA O=C(CCCl)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccccc1[N+](=O)[O-] 225496952 LZCSWULXSMCVFX-QGZVFWFLSA-N 392.242 4.555 50 50 GJGA COc1cccc(C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)c1 2513475 VWJQUQIIQUFMAQ-ZVHZXABRSA-N 394.858 4.692 50 50 GJGA COC(=O)[C@@H]1C(O)=NC(SCc2ccccc2)=C(C#N)[C@H]1c1ccc(C)cc1 9088740 SYACHHJHUNLOSE-MOPGFXCFSA-N 392.480 4.507 50 50 GJGA O=[N+]([O-])c1ccc(COP(=O)(Cl)OCc2ccc([N+](=O)[O-])cc2)cc1 72399474 IGRFBFTXYUVGAQ-UHFFFAOYSA-N 386.684 4.583 50 50 GJGA in-vitro COc1cc(Br)cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)c1OC 5028025 PHAOIGOTOUJIDZ-QPEQYQDCSA-N 398.260 4.715 50 50 GJGA COc1ccc(-c2nc(C(Cl)Cl)nc3cc(-c4ccccc4)nn23)cc1 1775976237 PQYCVBJHHJOWKL-UHFFFAOYSA-N 385.254 4.943 50 50 GJGA CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@@]2(CCCO2)[C@@]2(CCCO2)[C@@]12CCCO2 169834144 RWNXAWXBTUSPBD-PMXSJFBMSA-N 382.617 4.818 50 50 GJGA CCCCOc1ccc(/C=N/NC(=O)COc2ccc(CCCC)cc2)cc1 4372878 XZDPWNLKYHNYBT-JJIBRWJFSA-N 382.504 4.737 50 50 GJGA N#CC1=C(N)Oc2cc3ccc(Br)cc3cc2[C@H]1c1cccs1 8781874 XZRRWBXPKRGBTA-QGZVFWFLSA-N 383.270 4.882 50 50 GJGA CSc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 752406 BANZCZOAIOMHOB-IIBYNOLFSA-N 388.492 4.617 50 50 GJGA C/C(=N\NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(Cl)s1 12343144 MBHJKQWCCREOEB-QGMBQPNBSA-N 377.680 4.628 50 50 GJGA Cc1ccc(-c2cc(C(=O)N/N=C/c3cccn3C)c3ccccc3n2)cc1C 6788756 DEFABLNMCFJQCV-MFKUBSTISA-N 382.467 4.621 50 50 GJGA Cc1cc2ccccc2nc1NNC(=O)CCc1nc(C)c(-c2ccccc2)o1 181317478 FDYRVSWKHRDDQK-UHFFFAOYSA-N 386.455 4.583 50 50 GJGA O=C(CCn1c2ccccc2c2ccccc21)N/N=C/c1c[nH]c2ccccc12 6681957 KIADRIUQYBMPLJ-WGOQTCKBSA-N 380.451 4.816 50 50 GJGA N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)N1CCCCC1 728274 YTGFFOHIVRURNQ-NTCAYCPXSA-N 385.261 4.629 50 50 GJGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2)c1 2573626 DYYRJOHTYQDZLK-ZVHZXABRSA-N 392.842 4.632 50 50 GJGA N#CC(=C\c1ccc(Br)s1)/C(O)=N/c1ccccc1[N+](=O)[O-] 6829336 JRIFEZXJQRCUHU-VQHVLOKHSA-N 378.207 4.614 50 50 GJGA O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(O)cc1 726353 DOGRXPYTEFCZNV-UFFVCSGVSA-N 375.211 4.723 50 50 GJGA CCCCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccco2)sc2c1CCCC2 5068429 WCNXPGSJPDDQTQ-OWBHPGMISA-N 398.484 4.722 50 50 GJGA C[C@@H](Cn1cccn1)NCc1cnc([C@H](C)O[Si](C)(C)C(C)(C)C)s1 252481456 CMLQIGWXRQKDDA-GJZGRUSLSA-N 380.634 4.601 50 50 GJGA N#CC(C#N)=Cc1ccc(OC[C@H](O)Cn2c3ccccc3c3ccccc32)cc1 2310038 QWLXHABFPINBNU-HXUWFJFHSA-N 393.446 4.665 50 50 GJGA CCOC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@@H]1c1ccc(C(C)C)cc1 4751315 HTFXTOZTKSUDLL-NRFANRHFSA-N 376.456 4.955 50 50 GJGA C/C(=N\NC(=O)c1ccc(Cl)c(Cl)c1)c1cccc(NC(=O)C(C)C)c1 681592 ROJPJTWVXDZDMK-FSJBWODESA-N 392.286 4.742 50 50 GJGA O=C(N/N=C/c1cccc2ccccc12)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1 5125869 IVUOMIUFFWOVHO-CVKSISIWSA-N 398.510 4.795 50 50 GJGA CO[C@H]1CC[C@]2(C)C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@@H]3CC(=O)O[C@@H]3[C@@H]2O1 216522527 IHLRZFFYJCOWIA-SVDICWCESA-N 398.616 4.650 50 50 GJGA CCCOc1ccc(/C=N/NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1OC 4615132 GVGYWJBNUGPEOA-BUVRLJJBSA-N 384.520 4.541 50 50 GJGA N#C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc3c(c2)OCO3)cs1 16671788 NXYXNTZCTLLWLC-VGOFMYFVSA-N 377.381 4.511 50 50 GJGA N#C/C(=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)NC1CCCCC1 1212391 DPNCDCIOLIGHNI-JLHYYAGUSA-N 399.834 4.864 50 50 GJGA O=C(CCCCBr)O[C@H](C(=O)c1ccccc1)c1ccccc1 3080824 DMXFTVNQWGBZKE-IBGZPJMESA-N 375.262 4.719 50 50 GJGA COc1ccc(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(OC)c1 16671786 PXUQIQBVUNPZKY-OVCLIPMQSA-N 393.424 4.800 50 50 GJGA COc1cc(/C=N/NC(=O)c2sc3cccc(Cl)c3c2Cl)ccc1O 667426 PTZMDIHNQDTJRG-DNTJNYDQSA-N 395.267 4.686 50 50 GJGA COc1cccc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)c1 2839983 QGXSELONHRTVHX-MFKUBSTISA-N 396.531 4.938 50 50 GJGA Cc1cc(-c2n[nH]c3c2[C@@H](c2ccccc2Cl)C(C#N)=C(N)O3)c(C)s1 5130145 JTQVEIQRKMILSO-HNNXBMFYSA-N 382.876 4.627 50 50 GJGA CCOc1ccccc1/C=N/NC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1 4372672 MCLPFCKTKZRWFE-UPMNJHNBSA-N 388.467 4.670 50 50 GJGA N#Cc1cc2c(nc1SSc1nc3c(cc1C#N)CCCC3)CCCC2 4798295 QDADGQCNMCKVND-UHFFFAOYSA-N 378.526 4.777 50 50 GJGA C/C(=N\NC(=O)c1cc(-c2ccccc2C)nc2ccccc12)c1cccnc1 15934370 BUEWRJYXQXHAPW-WPWMEQJKSA-N 380.451 4.759 50 50 GJGA N#C/C(C(=O)CSc1nc2ccccc2s1)=C1\Nc2ccccc2S1 13149406 DVHRXFJCQHKAIY-BOPFTXTBSA-N 381.507 4.910 50 50 GJGA CC(C)Sc1ccc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1 799753939 YSBHLJNKYGXYHF-UHFFFAOYSA-N 379.407 4.834 50 50 GJGA O=C(CSc1nc2ccccc2s1)N/N=C/c1ccccc1C(F)(F)F 1474859 BNQMQMAMLOJXEZ-ZVBGSRNCSA-N 395.431 4.558 50 50 GJGA COC(=O)n1c(CBr)c(Br)c2cc(Cl)ccc21 690037 CUAVBCVHWWBXSM-UHFFFAOYSA-N 381.451 4.567 50 50 GJGA C[C@@H](CCI)C[C@H](C(=O)OC(C)(C)C)[Si](C)(C)C 169832170 GWZXXKXYVTZIHZ-NWDGAFQWSA-N 384.374 4.888 50 50 GJGA O=C(N/N=C/c1ccc(Br)s1)C(c1ccccc1)c1ccccc1 672312 JWRALBLYSOYQNN-FYJGNVAPSA-N 399.313 4.793 50 50 GJGA O=C(NNC(=S)Nc1cccc(Cl)c1Cl)c1csc2ccccc12 2851885 GPXZOARCAAOWAT-UHFFFAOYSA-N 396.324 4.840 50 50 GJGA N#C/C(=C/c1c(F)cccc1Cl)C(=O)Nc1cccc(Br)c1 15745772 AXOULQXLALOVMW-YFHOEESVSA-N 379.616 4.787 50 50 GJGA CCOC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C/c1ccccc1C 17078128 JXXFYAZNHIUMJA-MHWRWJLKSA-N 382.485 4.902 50 50 GJGA CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccccc3)cs2)cc1 2280714 RQLBPGJSXYROEA-GHRIWEEISA-N 375.453 4.963 50 50 GJGA C[C@]1(C(=O)N/N=C(\CCCCl)c2ccc(Cl)cc2)CC1(Cl)Cl 17078038 GJGJEKBPYKDJBG-MQMKENTISA-N 382.118 4.763 50 50 GJGA O=C(C[PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 100648814 JTQRLVNWLTWAQD-UHFFFAOYSA-N 382.443 4.596 50 50 GJGA N#C/C(=C\c1ccc(-c2ccccc2F)o1)c1nn(-c2ccccc2)c(N)c1C#N 4536467 ZLYLTDMHJBGDBS-NTCAYCPXSA-N 395.397 4.789 50 50 GJGA CCc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3O)c3ccccc3n2)cc1 2090085 HOXRKDFZGFATPX-WGOQTCKBSA-N 395.462 4.934 50 50 GJGA Cn1c(=O)sc2cc(/C=C(\C#N)c3nc(-c4ccccc4)cs3)ccc21 191493406 UQFWQBJWBRTRRQ-OQLLNIDSSA-N 375.478 4.788 50 50 GJGA O=C(N/N=C/C=C/c1ccccc1)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1 4135982 KVUSAUWSXVXHCE-CXHGCJEXSA-N 385.254 4.813 50 50 GJGA CCOC(=O)c1c(NC(=O)[C@@H](C)Cl)sc2c1CC[C@@H](c1ccccc1)C2 74941455 SVCCYEFMYXEENE-TZMCWYRMSA-N 391.920 4.763 50 50 GJGA Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccccc3Cl)cc2)cc1 4329596 OHYAEPOPNDFNET-ZVHZXABRSA-N 378.859 4.991 50 50 GJGA O=C(CCC(=O)Nc1cccc(Cl)c1)N/N=C/c1ccc(Cl)c(Cl)c1 5756981 IYKHSRJDFDNQBU-UFFVCSGVSA-N 398.677 4.516 50 50 GJGA CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccc(SC#N)c(C)c1 223209092 URGKQOUGPHYFNZ-LICLKQGHSA-N 382.876 4.940 50 50 GJGA Cc1ccccc1NCC(=O)N/N=C/c1cc(/N=N/c2ccccc2)ccc1O 4421836 QCSDKAOLADYFAT-IPIVFHEZSA-N 387.443 4.678 50 50 GJGA O=[N+]([O-])c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)o1 95676366 VUXSYHJGTZAPRR-UHFFFAOYSA-N 388.383 4.682 50 50 GJGA O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1ccc(F)cc1 2530540 NUPUKWFAIZPSSD-ZMOGYAJESA-N 382.822 4.822 50 50 GJGA N#C/C(=C\c1cccc([N+](=O)[O-])c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 16671847 GKWQSLBXAWUGNC-VGOFMYFVSA-N 378.369 4.691 50 50 GJGA N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1nc(O)c2ccccc2n1 33371107 SOMUFCKKYOQMTB-KAMYIIQDSA-N 384.351 4.568 50 50 GJGA Cc1c(C(=O)Nc2ccc(SC#N)cc2)nnn1-c1ccc(C(C)C)cc1 8022155 YVZLYBOOUTVSFY-UHFFFAOYSA-N 377.473 4.525 50 50 GJGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cccc(Cl)c1 102295262 HPTCLKPDJNTCJC-LFVJCYFKSA-N 393.959 4.827 50 50 GJGA CCc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 5354261 BATKFVCCYHPMSN-SSDVNMTOSA-N 387.270 4.710 50 50 GJGA O=C(NNC(=S)Nc1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 6582557 BNNDFMXTUZWVAA-UHFFFAOYSA-N 398.491 4.533 50 50 GJGA CC(C)Oc1ccc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1Br 12382779 KJDBVVIJJGLDPF-SXGWCWSVSA-N 386.245 4.999 50 50 GJGA C/C(CC(=O)NC1CCCCCCC1)=N\NC(=O)c1ccc(C(C)(C)C)cc1 18093665 UGRCFHUELBQIDU-KOEQRZSOSA-N 385.552 4.709 50 50 GJGA CO[C@H]1CC[C@]2(C)C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@H]3CC(=O)O[C@@H]3[C@H]2O1 257356479 IHLRZFFYJCOWIA-ATKPEJNWSA-N 398.616 4.650 50 50 GJGA C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccc(Cl)cc1 3088031 KVGLHJQYXXEWPP-WTJYETQFSA-N 378.859 4.925 50 50 GJGA CCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc4ccccc4c3)[nH]n2)cc1 1211405 KKRLKQKVQHCBEK-PCLIKHOPSA-N 398.466 4.783 50 50 GJGA Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)NC3CCCCC3)o2)c([N+](=O)[O-])c1 1209234 BSMNEVKEIAWSJD-NTCAYCPXSA-N 379.416 4.519 50 50 GJGA O=C(COc1cccc2ccccc12)N/N=C/c1cc2ccccc2nc1Cl 3207771 JYYHZAFZNAUUBM-ZMOGYAJESA-N 389.842 4.571 50 50 GJGA COc1ccc(/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OC 13619192 PMDUAHACEASTFC-OQLLNIDSSA-N 393.424 4.800 50 50 GJGA CCc1ccc([C@@H]2C(C#N)=C(N)N(c3ccccc3F)C3=C2C(=O)CCC3)s1 2501787 MLPPUEGLIJBRFE-FQEVSTJZSA-N 393.487 4.754 50 50 GJGA Cc1ccoc1C(=O)N/N=C/c1ccc(SC2CCCCC2)c([N+](=O)[O-])c1 1083185 ZYZKWEJUYHOQJY-UDWIEESQSA-N 387.461 4.685 50 50 GJGA O=C(N/N=C\c1c[nH]c2ccccc12)c1n[nH]c2c1CCCCCCCCCC2 32625295 VHFGXPOUQSNRMZ-XYGWBWBKSA-N 391.519 4.874 50 50 GJGA C[C@H](Oc1cccc(Cl)c1)C(=O)NN=C1c2ccccc2-c2ccccc21 45068447 LXMFFBCVIZBDIK-AWEZNQCLSA-N 376.843 4.657 50 50 GJGA CCOc1cc(/C=N/NC(=O)c2sc3ccccc3c2Cl)ccc1OC 816645 ODLJZBMWCBXNEZ-SRZZPIQSSA-N 388.876 4.726 50 50 GJGA COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)c1nc2cc(C)ccc2[nH]1 5028049 DQESRZVDDMGCIB-BOPFTXTBSA-N 388.471 4.553 50 50 GJGA CN(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 2676329 HLSBVDZNPMHCSI-YZSQISJMSA-N 394.478 4.732 50 50 GJGA Cc1cc(Br)c(OCCCBr)c(Br)c1 2167716 QGJCGKPBQUQYCV-UHFFFAOYSA-N 386.909 4.684 50 50 GJGA O=C(N/N=C/c1cc2ccccc2nc1Cl)c1ccc(Cl)c(Cl)c1 4210690 UZACRRZDZNETRX-ZVBGSRNCSA-N 378.646 4.959 50 50 GJGA O=C(COc1ccccc1Cl)N/N=C/c1cccc(Oc2ccccc2)c1 2521749 YWTDXFCFRCQMJC-OEAKJJBVSA-N 380.831 4.661 50 50 GJGA Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)o1 15684994 AOIHQTGVDVCCRQ-KAMYIIQDSA-N 391.358 4.848 50 50 GJGA O=C(CBr)c1cccc(-c2ncc(C(F)(F)F)cc2Cl)c1 261494921 SYRMYSURJDHPDZ-UHFFFAOYSA-N 378.575 4.998 50 50 GJGA CCOC(=O)C1(P(=O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CCC1 2909198 NZUXAYVOFKVOCO-UHFFFAOYSA-N 397.238 4.793 50 50 GJGA CC1=C(C#N)[C@H](c2cccnc2)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 100079672 MIHMFOCWQWUHAJ-KKSFZXQISA-N 375.859 4.620 50 50 GJGA COc1ccccc1C(=O)N/N=C/c1ccc(N2Cc3cc(C)c(C)cc3C2)cc1 2069933 AEXFKLMCHVASTC-VULFUBBASA-N 399.494 4.596 50 50 GJGA Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 4710634 WYOHDBGBRYUNOI-ODLFYWEKSA-N 399.450 4.677 50 50 GJGA C[C@]1(CBr)[C@H]2CC[C@@]1(CBr)c1nc3ccccc3nc12 169616138 WWOOALUAGOTYDL-CIISACIHSA-N 396.126 4.555 50 50 GJGA COc1cccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c1 4327589 UPCOWQXUVGQSLY-ZVHZXABRSA-N 394.858 4.692 50 50 GJGA COc1cccc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)c1 4360527 GBOJJJKHCPUOTK-ZVHZXABRSA-N 394.858 4.692 50 50 GJGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(Cl)cc1 752455 AGOGCOGELSQFLG-FOIQADDNSA-N 376.843 4.548 50 50 GJGA Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3Cl)cc2)c1 4335809 TXFDHVOQYKYDEH-ZVHZXABRSA-N 392.842 4.632 50 50 GJGA COc1ccccc1/C=C(\C#N)c1nc(-c2ccc(OC)c(OC)c2)cs1 5008878 MTVURSJCESOZEK-MHWRWJLKSA-N 378.453 4.900 50 50 GJGA CCc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)cc1 5350072 RAKIPYDBRMQJHX-PCLIKHOPSA-N 382.467 4.946 50 50 GJGA Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccccc1Cl)C(C#N)=C(N)O2 629586 NKJDFVJRAJWNKC-SFHVURJKSA-N 397.265 4.706 50 50 GJGA O=C(N/N=C/c1ccc(Br)cc1)C12CC3C[C@H](CC[C@@H](C3)C1)C2 100481977 LSUJXFQBVBONPF-HDEOLBSOSA-N 375.310 4.506 50 50 GJGA Cc1ccc(/C=N/NC(=O)c2sc3cc(Br)ccc3c2Cl)o1 2777145 XXIKNPXNQVESER-CNHKJKLMSA-N 397.681 4.983 50 50 GJGA C=CCc1cccc(/C=N/NC(=O)CCn2c3ccccc3c3ccccc32)c1O 4719078 TWPCWIFOCXZAIO-YZSQISJMSA-N 397.478 4.769 50 50 GJGA O=C(N/N=C/c1ccc(Br)s1)c1ccc(OC2CCCC2)cc1 2795061 ZEBHVHHQVKAZHX-YBFXNURJSA-N 393.306 4.596 50 50 GJGA O=C(NNC(=O)c1sc2ccccc2c1Cl)Nc1cccc(Cl)c1 4989580 DZKSDYABXKVTGF-UHFFFAOYSA-N 380.256 4.675 50 50 GJGA N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cccc(C(=O)O)c1 408542598 MLQKMEUHFWWHFM-PTNGSMBKSA-N 392.798 4.844 50 50 GJGA COC(=O)N/N=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1080657 QUUVZHLJZYDMKZ-BUVRLJJBSA-N 390.439 4.535 50 50 GJGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1Cl 752591 IOLXKUYTMGLVPP-JLTOFOAXSA-N 376.843 4.548 50 50 GJGA Cc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)cc1 2576223 QPMJCISIZIGJQZ-ZVHZXABRSA-N 392.842 4.632 50 50 GJGA CC(=O)C1=C(C)NC(SCSc2ccccc2)=C(C#N)[C@@H]1c1cccnc1 5020167 GTNAMDPZPCZJRR-FQEVSTJZSA-N 393.537 4.850 50 50 GJGA O=C(N/N=C/c1ccccc1Cl)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1 5354079 LYALCMKQHTYTDU-ZVBGSRNCSA-N 393.661 4.801 50 50 GJGA COc1ccccc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12 2319138 UZJNMDQXTVVKRO-PCLIKHOPSA-N 381.435 4.674 50 50 GJGA CCc1ccc(-c2cc(C(=O)N/N=C/c3c(Cl)cccc3Cl)[nH]n2)cc1 867924 LNTZCABIVLUUAH-SSDVNMTOSA-N 387.270 4.710 50 50 GJGA N#C/C(=C\c1cn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)NC1CC1 17076877 JOLPRNUYIBFWQA-LFIBNONCSA-N 375.859 4.529 50 50 GJGA COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C#N)[C@H]3c2ccc(F)cc2)cc1 853803 RYMRDQRTYGLJQV-UZUQRXQVSA-N 388.442 4.719 50 50 GJGA N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1c1cccc(Oc2ccc(Cl)cc2)c1 1228378 RMRZYFCTWVNMCE-NRFANRHFSA-N 389.842 4.933 50 50 GJGA Cc1cc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c2ccccc2n1 6796584 WJZSZHGMBRGGAB-WGOQTCKBSA-N 395.462 4.886 50 50 GJGA N#CC(=C\c1c[nH]nc1-c1ccc(Cl)cc1)/C(O)=N/c1ccccc1[N+](=O)[O-] 17080470 OPUXUKUEGWAYNO-UKTHLTGXSA-N 393.790 4.833 50 50 GJGA O=C(N/N=C/c1c(Cl)cccc1Cl)c1cc(-c2ccc(Cl)cc2)n[nH]1 1468333 ANNCPKMYPVEJMZ-ZVBGSRNCSA-N 393.661 4.801 50 50 GJGA Cl[C@@H]1[C@H](Cl)[C@H]2[C@H]3C=C[C@@H](c4cccc(I)c43)[C@@H]12 254627683 CLNJDPHWYNPRTG-HOIOMSMXSA-N 377.052 4.503 50 50 GJGA C[Si](C)(C)O[C@]1(C#N)C=C[C@]23C(=O)CC[C@@H]2C2(C[C@H]3C1)SCCCS2 257358886 WZHSVDLKPYDZHC-CYGHRXIMSA-N 393.650 4.612 50 50 GJGA O=C(CCCCBr)O[C@@H](C(=O)c1ccccc1)c1ccccc1 3080825 DMXFTVNQWGBZKE-LJQANCHMSA-N 375.262 4.719 50 50 GJGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccs2)[C@@H]2C[C@H](c3ccccc3)CC=C12 706181 MCKRCQNHIRZESC-BLIXFSHQSA-N 382.492 4.735 50 50 GJGA O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(Cl)c(Cl)c1 2322446 AJTFJXPFGBHQBQ-UFWORHAWSA-N 396.324 4.846 50 50 GJGA Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccccc2C(F)(F)F)cc1 3255002 JOIKSCCJXVAOME-DHRITJCHSA-N 385.389 4.877 50 50 GJGA N#C/C(=C/c1c[nH]nc1-c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 17078246 IBKKSCOIOFDVJO-LCYFTJDESA-N 383.238 4.929 50 50 GJGA CC[Si](CC)(CC)O[C@H]1C(=O)N(C(=O)OC(C)(C)C)[C@H]1c1ccccc1 169748365 LHTDXUKSFSMGCA-DLBZAZTESA-N 377.557 4.895 50 50 GJGA in-vitro O=C(CNc1ccc(Cl)cc1Br)NN=C1CCCCCCC1 4948455 SQFMBCYGNJTTIR-UHFFFAOYSA-N 386.721 4.731 50 50 GJGA COC(=O)[C@H]1C(O)=NC(SCc2ccccc2)=C(C#N)[C@H]1c1ccc(C)cc1 9087570 SYACHHJHUNLOSE-RTBURBONSA-N 392.480 4.507 50 50 GJGA Cc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(C)n1-c1cccc([N+](=O)[O-])c1 13130253 OGQPEKXFCJXOQE-BOPFTXTBSA-N 383.411 4.943 50 50 GJGA aggregator Cc1ccc(/C=N\NC(=O)c2ccc(NC(=O)Nc3ccccc3F)cc2)cc1 33401729 JYOPATVTCVWMCC-OYKKKHCWSA-N 390.418 4.542 50 50 GJGA CCOC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@H]1c1ccc(C(C)C)cc1 4751316 HTFXTOZTKSUDLL-OAQYLSRUSA-N 376.456 4.955 50 50 GJGA CCc1ccc(-c2cc(C(=O)N/N=C(\C)c3cccc4ccccc34)[nH]n2)cc1 5359047 QUHYWSUUZYCVPJ-PCLIKHOPSA-N 382.467 4.946 50 50 GJGA Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc([N+](=O)[O-])cc1 6669874 CLUYQHVMOJGBDA-QGOAFFKASA-N 386.411 4.548 50 50 GJGA O=C(Cc1ccccc1)N/N=C/c1ccc(SC2CCCCC2)c([N+](=O)[O-])c1 2571010 ZLDBKBKAESNNRF-PXLXIMEGSA-N 397.500 4.712 50 50 GJGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(Cl)cc1 752456 AGOGCOGELSQFLG-MGPUTAFESA-N 376.843 4.548 50 50 GJGA COc1ccc(CC(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3C)o2)cc1 1205944 JSCSNWWSURUDBH-YDZHTSKRSA-N 382.847 4.610 50 50 GJGA CCOc1cccc(-c2cc(C(=O)N/N=C(\C)c3cccc4ccccc34)[nH]n2)c1 4981487 ROPXMQXIEORRHC-PCLIKHOPSA-N 398.466 4.783 50 50 GJGA O=C(N/N=C/c1cccnc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 695674 AADCXZXYAUHWRX-AFUMVMLFSA-N 386.842 4.714 50 50 GJGA O=C(CCn1cnc(-c2ccccc2)c1-c1ccccc1)N/N=C/c1ccccc1 1469522 SLPGANWBIGVDNH-OVVQPSECSA-N 394.478 4.758 50 50 GJGA COc1cccc(N/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 1821202 KPONOMILJJWFEO-SDNWHVSQSA-N 378.413 4.703 50 50 GJGA COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)(F)F)cc2)cc1 850752 GIWAVBPEUDJYKX-JLHYYAGUSA-N 378.375 4.853 50 50 GJGA N#CC1=C(N)Oc2[nH]c(-c3ccccc3)nc2[C@H]1c1ccc(Cl)c(Cl)c1 5130770 QZDYFTVUYMSSMT-HNNXBMFYSA-N 383.238 4.602 50 50 GJGA COc1cccc(-c2csc(/C(C#N)=C\Nc3ccc(OC)cc3OC)n2)c1 15659427 CPVBIOVLPUEFBG-QINSGFPZSA-N 393.468 4.812 50 50 GJGA C/C(=N\NC(=O)CSc1nc2ccccc2[nH]1)c1ccc(Cl)c(Cl)c1 13583586 MRDLPAYKWHZJBD-LSHDLFTRSA-N 393.299 4.502 50 50 GJGA CCOc1c(Br)cc(/C=C(/C#N)c2ccc(C#N)cc2)cc1OC 16382990 UIJPBISDQRVZFL-PXNMLYILSA-N 383.245 4.792 50 50 GJGA Cl[C@@H](COC[C@@H](Cl)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl 2555384 LNJXZKBHJZAIKQ-ZXZARUISSA-N 377.737 4.958 50 50 GJGA in-vitro COc1ccc(/C=C(\C#N)c2nc(-c3cc4ccccc4c(=O)o3)cs2)cc1 3995789 BXAFCJRPDWBUMU-MHWRWJLKSA-N 386.432 4.989 50 50 GJGA COc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 5008827 AUFDZTZURNRONR-MHWRWJLKSA-N 378.453 4.900 50 50 GJGA O=C(COc1ccc2ccccc2c1)N/N=C/c1cc2ccccc2nc1Cl 5905801 OGMYILNHLZZYEA-ZMOGYAJESA-N 389.842 4.571 50 50 GJGA N#CC1=C(N)Oc2[nH]nc(-c3cccc4ccccc34)c2[C@H]1c1cccc(F)c1 1174918 AYVBTQWKVWJFCC-IBGZPJMESA-N 382.398 4.587 50 50 GJGA C[C@H](Cn1cccn1)NCc1cnc([C@@H](C)O[Si](C)(C)C(C)(C)C)s1 252481457 CMLQIGWXRQKDDA-HUUCEWRRSA-N 380.634 4.601 50 50 GJGA O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)Nc1ccccc1 1231444 YOTQKDCVJLREIR-UDWIEESQSA-N 384.233 4.865 50 50 GJGA C[C@@H]1CCc2c(C(=O)NNC(=O)Nc3ccc(Cl)cc3Cl)csc2C1 17081429 DHUKQWSSTMDVDU-SECBINFHSA-N 398.315 4.646 50 50 GJGA OC[C@@H](c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101011121 VVUJXDRCPVPNOE-SANMLTNESA-N 383.451 4.714 50 50 GJGA O=C(N/N=C/C(Cl)=C/c1ccccc1)c1cc(-c2ccc(Cl)cc2)n[nH]1 5297299 CACUICJTSFPSGK-KFJJEBECSA-N 385.254 4.726 50 50 GJGA COc1cc(N2CCOCC2)ccc1/C=C(/C#N)c1ccc(Cl)cc1Cl 16319453 ANWYXWAZMPOPSB-GDNBJRDFSA-N 389.282 4.903 50 50 GJGA CC(C)c1ccc(NC(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 17079922 AHNPLJJJMKRSRC-INIZCTEOSA-N 391.471 4.583 50 50 GJGA Cc1ccc2nc(/C(C#N)=C/c3ccc(-c4cc([N+](=O)[O-])ccc4O)o3)[nH]c2c1 35188680 FLYIEUDKSUWXTB-UKTHLTGXSA-N 386.367 4.809 50 50 GJGA COC(=O)[C@]1(C)C[C@@H]2C(=O)[C@@]3(O[Si](C)(C)C(C)(C)C)CC[C@@]3(C)C[C@@H]2C1 169830599 YFNZILLNMWMCAB-GAMLAWPCSA-N 380.601 4.725 50 50 GJGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)CCn1c2c(c3ccccc31)CCCC2 1469512 YCZNQMBRXMMHCQ-WGOQTCKBSA-N 398.510 4.850 50 50 GJGA C#CCOc1c(Cl)cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1OCC 5028340 WALGVISJHLAHPF-GDNBJRDFSA-N 377.831 4.691 50 50 GJGA CC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccccc3)c2C)cc1 1189965 KSBBMTUKGABSSM-KGENOOAVSA-N 383.451 4.842 50 50 GJGA C=CCOc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1OCC 2101316 JUVJDNVSLHVYLV-WSDLNYQXSA-N 393.270 4.721 50 50 GJGA C[C@H](O[Si](C)(C)C(C)(C)C)c1ncc(CNc2ccc(CC#N)cc2)s1 241775939 RQLRHQBGDABMFN-HNNXBMFYSA-N 387.625 5.904 50 50 GJGA Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)c1 5059243 QPVMSDPEHXDHGU-NDENLUEZSA-N 399.450 4.646 50 50 GJGA COc1ccc(C)cc1NC(=O)NNC(=O)c1csc(C)c1-c1ccccc1 2851870 YELKZIBAOTVAHZ-UHFFFAOYSA-N 395.484 4.507 50 50 GJGA N#CC1=C(N)Oc2c(ccc3ccccc23)[C@@H]1c1cccc(Br)c1 753069 DBBSZZZYOUENBX-SFHVURJKSA-N 377.241 4.820 50 50 GJGA C[C@@H](Oc1ccccc1Br)C(=O)N/N=C/c1ccc2ccccc2c1 2903154 PDIBIHDOOMWKQO-CYGNYLSHSA-N 397.272 4.520 50 50 GJGA CCN(CC)c1ccc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc1[N+](=O)[O-] 16671412 KHUHYHAYQHBZTO-WJDWOHSUSA-N 375.432 4.690 50 50 GJGA COC(=O)/C(C#N)=C\c1cc(Cl)ccc1OCc1c(F)cccc1Cl 17077676 UWZHSMOMVNYGNS-GHXNOFRVSA-N 380.202 4.791 50 50 GJGA COc1ccc2c(Cl)c(C(=O)N/N=C/c3ccc(Cl)cc3)sc2c1 5676252 FUBGKFMKUPLPJS-AWQFTUOYSA-N 379.268 4.981 50 50 GJGA N#C/C(=C/c1c[nH]nc1-c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 17078056 XWRSIBWGJQRMOR-ZROIWOOFSA-N 382.345 4.641 50 50 GJGA COc1ccccc1[C@@H]1CC(=O)NC(SCc2ccc(Cl)cc2)=C1C#N 9330090 VZXWMAWCZGWGEC-INIZCTEOSA-N 384.888 4.621 50 50 GJGA N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cccc(Oc2ccc(Cl)cc2)c1 1228296 JCYMUOKESAWAND-FQEVSTJZSA-N 392.842 4.947 50 50 GJGA N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1ccccc1O 940877 KQLJNBGHWNNZPT-XMHGGMMESA-N 393.446 4.941 50 50 GJGA CCOc1cc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)c(Br)cc1O 5028344 CWLQWZLQMOLJGB-NTUHNPAUSA-N 398.260 4.802 50 50 GJGA C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1)c1ccc(F)cc1 5353803 WASJETWAAKODQE-LSHDLFTRSA-N 391.233 4.677 50 50 GJGA CC(C)CCOc1cnc(SSc2ncc(OCCC(C)C)cn2)nc1 5727095 YHVOSKQJRWUDAD-UHFFFAOYSA-N 394.566 4.916 50 50 GJGA Cc1ccc(S(=O)(=O)/C(C#N)=C/c2ccc3c(c2)CCCN3CC(C)C)cc1 1390506 ATXDMJCCRIGFQR-HYARGMPZSA-N 394.540 4.742 50 50 GJGA O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1c(Cl)cccc1Cl 1877725 MUEVMHQHBMGBJN-IFRROFPPSA-N 392.069 4.829 50 50 GJGA COC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nc4cc(OC)ccc4[nH]3)o2)cc1 4739911 KNPJNOKCNVLQOF-WJDWOHSUSA-N 399.406 4.682 50 50 GJGA O=C(CCCCCCCCC(=O)NN=C1CCCCC1)NN=C1CCCCC1 5494809 CFXDDNPFJKMKKA-UHFFFAOYSA-N 390.572 4.980 50 50 GJGA CCN(CC)c1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 2898225 GSJTWXLRALQCFQ-UPMNJHNBSA-N 389.499 4.604 50 50 GJGA CCc1ccc([C@H]2C(C#N)=C(N)N(c3ccccc3F)C3=C2C(=O)CCC3)cc1 714229 UNSICWDGJITXIS-QFIPXVFZSA-N 387.458 4.693 50 50 GJGA O=C(N/N=C/c1ccc2c(c1)OCO2)c1sc2cc(Cl)ccc2c1Cl 1209137 SOWIGVMKLFSQHL-IFRROFPPSA-N 393.251 4.701 50 50 GJGA O=C(N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)Nc1ccccc1 1231433 BCTJXBYKSIDGHD-RGVLZGJSSA-N 384.779 4.664 50 50 GJGA O=C(N/N=C/c1ccco1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 1209929 CQHMHGJWUAGDFE-YDZHTSKRSA-N 375.815 4.912 50 50 GJGA N#C/C(=C\c1cn(Cc2ccccc2)nc1-c1ccccc1)C(=O)N1CCCCC1 17081055 SCFMUJCQJAJXSA-CJLVFECKSA-N 396.494 4.518 50 50 GJGA O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cc(-c2ccc(Cl)cc2)n[nH]1 886102 MQXLSBHTABZZBN-ZVBGSRNCSA-N 393.661 4.801 50 50 GJGA O=C(NN=C(/C=C/c1ccccc1)/C=C/c1ccccc1)c1ccc(O)cc1O 2745024 RHDYPRYRIHYVGF-PHEQNACWSA-N 384.435 4.610 50 50 GJGA CC(C)(C)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1 1914890 UUHGQOVWQISUID-CIAFOILYSA-N 383.542 4.836 50 50 GJGA O=C(NN=C1CCC(c2ccccc2)CC1)C(O)(c1ccccc1)c1ccccc1 1193161 RMLBARFDAHMSCG-UHFFFAOYSA-N 398.506 4.753 50 50 GJGA Cc1cccc(-c2cc(C(=O)N/N=C/c3cccc(O)c3)c3ccccc3n2)c1 659758 SUVWXQYVGNJTLK-MFKUBSTISA-N 381.435 4.680 50 50 GJGA COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1 1191716 PSLQQTIFBRDAGZ-XSFVSMFZSA-N 385.467 4.957 50 50 GJGA N#C/C(=C\c1ccc(OCCc2ccccc2)cc1)S(=O)(=O)c1ccccc1 936787 JAFNWOUSGUQSJA-HAVVHWLPSA-N 389.476 4.646 50 50 GJGA COc1ccc(-c2csc(/C(C#N)=C/c3ccc(N(C)C)cc3)n2)cc1OC 6681961 AHCIQVZHUUGUBD-GZTJUZNOSA-N 391.496 4.957 50 50 GJGA CCCCCCCCCCCC(=O)N/N=C/c1ccc(OCC(=O)O)cc1 102303568 OSPZUTDEJRQZEK-CJLVFECKSA-N 376.497 4.521 50 50 GJGA C[C@@H](Cn1cccn1)NCc1cnc([C@@H](C)O[Si](C)(C)C(C)(C)C)s1 252481458 CMLQIGWXRQKDDA-LSDHHAIUSA-N 380.634 4.601 50 50 GJGA O=C(CCl)Nc1ccc(Br)cc1C(=O)c1cccc(Cl)c1 253432890 PLCJRCVKHBJURM-UHFFFAOYSA-N 387.060 4.511 50 50 GJGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(Cl)cc1 752453 AGOGCOGELSQFLG-QRWLVFNGSA-N 376.843 4.548 50 50 GJGA CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccccc1 102288497 SCNAQUWRVYUEAD-NCELDCMTSA-N 387.568 4.954 50 50 GJGA O=C(O)CCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 72399533 LDPLIHVYUJTDKY-UHFFFAOYSA-O 377.444 4.626 50 50 GJGA in-vitro Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)c2cc3ccccc3o2)cc1 4230238 MYCYNEWNZXOHOS-MFKUBSTISA-N 398.418 4.724 50 50 GJGA O=C(Cc1cccc2ccccc12)N/N=C/C(Br)=C/c1ccccc1 2902771 FFCCFKUAIOQCKB-UNWAUBCUSA-N 393.284 4.920 50 50 GJGA COc1ccc(-c2csc(/C(C#N)=C\c3cc(OC)ccc3OC)n2)cc1 4853318 RANASRGFPGYOLL-YBEGLDIGSA-N 378.453 4.900 50 50 GJGA CCOc1ccccc1-c1cc(C(=O)N/N=C(\C)c2ccc3ccccc3c2)[nH]n1 9015506 CBBGSWWJAJECNM-PCLIKHOPSA-N 398.466 4.783 50 50 GJGA CCO/C=N/C1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)O1 2311804 RJQMAEBGKFTHQM-SZMVHAFZSA-N 384.863 4.897 50 50 GJGA CSc1ccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)cc1 5125837 QAXXBENKOKVZLJ-OEAKJJBVSA-N 386.480 4.716 50 50 GJGA O=C(NNc1nc(-c2ccccc2)cc(-c2ccc(F)cc2)n1)c1ccccc1 1229584 ZASBSYJNIJIVTA-UHFFFAOYSA-N 384.414 4.707 50 50 GJGA CC1=CC[C@@H](/C(C)=N/NC(=O)CNc2ccc(Cl)cc2Br)CC1 783206 MDIMXQZQYCUFAF-LNOXHEFASA-N 398.732 4.753 50 50 GJGA COc1ccc2nc(/C(C#N)=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)[nH]c2c1 4739918 BRDRCBIBJZUXKP-JLHYYAGUSA-N 386.367 4.804 50 50 GJGA CC1(C)OB(c2cnc3cc(CO[Si](C)(C)C(C)(C)C)oc3c2)OC1(C)C 169794220 INHBSQTVWYQOCB-UHFFFAOYSA-N 389.377 4.649 50 50 GJGA in-vitro O=C(NNc1nc(-c2ccccc2)cc(-c2ccccc2)n1)Nc1ccccc1 1209323 MCJKXKFVDWCASJ-UHFFFAOYSA-N 381.439 4.959 50 50 GJGA C[C@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccc2ccccc2c1 2899601 UPSSFBJJFUKEOG-KOUDTOEKSA-N 397.272 4.520 50 50 GJGA C/C(=N\NC(=O)c1ccc(C)s1)c1ccc(NC(=O)c2ccc(C)s2)cc1 5795641 BDOAGVBPPAXOGD-HYARGMPZSA-N 397.525 4.833 50 50 GJGA Cc1cccc(C(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)c1 2529728 JMOBHIZDALCGQZ-ZVHZXABRSA-N 392.842 4.632 50 50 GJGA CCOc1ccc(/C(C)=N/NC(=O)c2cc(-c3cccc4ccccc34)n[nH]2)cc1 5297619 UWEQOSKJFGHSMC-PCLIKHOPSA-N 398.466 4.783 50 50 GJGA O=C(NNc1ccc(Cl)cc1)C1(c2ncc(C(F)(F)F)cc2Cl)CC1 263639744 HBTGISJJVKSADI-UHFFFAOYSA-N 390.192 4.582 50 50 GJGA Cc1ccc(COc2ccc(C(=O)N/N=C/c3c[nH]c4ccccc34)cc2)cc1 4360646 UIBGDOUZZWOFQY-CVKSISIWSA-N 383.451 4.819 50 50 GJGA O=C(N/N=C/c1ccoc1)c1sc2cc(Br)ccc2c1Cl 1005575 RSOVGEJLQYVLKK-UBKPWBPPSA-N 383.654 4.674 50 50 GJGA N#CC1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1ccccc1Br 1229013 NPVVBQKJQDERJR-GOSISDBHSA-N 377.241 4.820 50 50 GJGA O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1F 2529601 ZULCYFZLADJZQV-ZMOGYAJESA-N 382.822 4.822 50 50 GJGA CC(=O)C1=C(C)NC(SCC(=O)c2ccccc2)=C(C#N)[C@@H]1c1ccccc1 19759475 LDILPWICWJYKKI-QFIPXVFZSA-N 388.492 4.588 50 50 GJGA Cc1c(Cl)cccc1NC(=O)[C@@]12CC[C@@](C)(C(=O)[C@H]1Br)C2(C)C 238881564 AVERYTZIQJHZAZ-JEBQAFNWSA-N 398.728 4.746 50 50 GJGA COc1ccccc1[C@H]1CC(=O)NC(SCc2ccccc2Cl)=C1C#N 9088865 PIAKZHUIQRHPSN-OAHLLOKOSA-N 384.888 4.621 50 50 GJGA CCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(C(C)C)cc3)[nH]n2)cc1 4746394 UVFCQGKBSHVLPE-BUVRLJJBSA-N 390.487 4.753 50 50 GJGA CCN(CC)c1ccc(/C=N/NC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1 2897717 FXKXLIPFUXJDSQ-UPMNJHNBSA-N 389.499 4.604 50 50 GJGA CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1Cl)C(C#N)=C(N)O2 1305736 UYSNFVKHTYWNQA-LJQANCHMSA-N 390.874 4.696 50 50 GJGA COc1cccc(-c2csc(/C(C#N)=C\Nc3cc(OC)ccc3OC)n2)c1 15659441 PFBNIWJCQJNING-QINSGFPZSA-N 393.468 4.812 50 50 GJGA C=CCC[C@@H](O)C(C)(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 169835318 HZNFEQJDMMROLA-HSZRJFAPSA-N 396.647 4.916 50 50 GJGA COC(=O)C(CC[C@@]1(C)[C@H](C)CC=C[C@H]1O[Si](C)(C)C(C)(C)C)C(=O)OC 169830588 AKZHYBFPFHTOAU-CEQIKUNHSA-N 398.616 4.722 50 50 GJGA N#CC1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1cccc(Br)c1 753070 DBBSZZZYOUENBX-GOSISDBHSA-N 377.241 4.820 50 50 GJGA COc1ccc(N2C(N)=C(C#N)[C@@H](c3ccc(C)cc3C)C3=C2CCCC3=O)cc1 2846482 AIYRXZGXMXMKPJ-HSZRJFAPSA-N 399.494 4.617 50 50 GJGA CC(C)(C)C(=O)/C(C#N)=C/c1ccc(COc2ccc(Cl)cc2[N+](=O)[O-])o1 6823255 RLBHFMBKSCCYQD-XYOKQWHBSA-N 388.807 4.942 50 50 GJGA CN(C)c1ccc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 16671754 UMYXSRXCHOIMLD-CXUHLZMHSA-N 375.453 4.669 50 50 GJGA Cc1cc(/C=C(\C#N)C(=O)NCc2ccco2)c(C)n1-c1cccc(Cl)c1 1196467 JDSQKQUCSGEKJQ-LICLKQGHSA-N 379.847 4.564 50 50 GJGA Cc1ccc(/C=N/NC(=O)c2cccc(N3Cc4cc(C)c(C)cc4C3)c2)cc1 2899044 VTSNGRVFYRBZPP-VULFUBBASA-N 383.495 4.896 50 50 GJGA CCCOc1ccc(/C(C)=N/NC(=O)c2ccc(OC3CCCC3)cc2)cc1 6593397 HPLNRLYPYGUYBM-JJIBRWJFSA-N 380.488 4.951 50 50 GJGA O=C(N/N=C/c1cccc2ccccc12)c1cc(-c2ccc(Cl)s2)n[nH]1 5324862 FDDOIBNWBKOSGT-SRZZPIQSSA-N 380.860 4.709 50 50 GJGA O=C(N/N=C/c1ccc(-c2ccccc2)cc1)c1ccc(Br)s1 2102424 CFDBGRAVMUNRPF-UDWIEESQSA-N 385.286 4.942 50 50 GJGA O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1 1959373 CAEASULKJKYPQS-LPYMAVHISA-N 379.803 4.679 50 50 GJGA COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(Br)s1 2749613 AIVLAHUKKBSKHY-RMKNXTFCSA-N 397.681 4.718 50 50 GJGA C/C(=N\NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1)c1ccccc1 33340481 SQYMCYPEFXVZID-KOEQRZSOSA-N 380.451 4.898 50 50 GJGA COc1ccc(CCCC(=O)N/N=C/c2cc(Cl)cc(Cl)c2)c(C)c1 35653659 GHPILDARBJJYHV-WSDLNYQXSA-N 379.287 4.783 50 50 GJGA COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)c2C)cc1 15012333 LFLLVEIFHGMAKA-ZHZULCJRSA-N 385.467 4.957 50 50 GJGA Cc1ccc(/C=N/NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c(C)c1 2387857 FTYBWSLKVGTDGP-YDZHTSKRSA-N 388.496 4.776 50 50 GJGA CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1O 1206110 RLENLDCTMMOWSF-NTUHNPAUSA-N 389.205 4.526 50 50 GJGA CCCCN(CCCC)C(=O)CCP(=O)(c1ccccc1)c1ccccc1 2919270 RXTNOCCZXZDVGU-UHFFFAOYSA-N 385.488 4.819 50 50 GJGA CC(C)(C)OC(=O)N(CCCCI)Cc1ccccc1 19089451 XODUGXDTYDHWBN-UHFFFAOYSA-N 389.277 4.639 50 50 GJGA Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2[nH]c3ccccc3c2Cl)cc1 4210187 GNWGQURETRBCEN-ZMOGYAJESA-N 390.874 4.993 50 50 GJGA CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1cccc(Oc2ccccc2)c1 729216 MNSDIQUWMHUKCW-FQEVSTJZSA-N 390.439 4.514 50 50 GJGA O=C(N/N=C/c1cccc(Br)c1)c1ccc(-c2ccccc2)cc1 1922709 OYAANMPEDDIEHU-HYARGMPZSA-N 379.257 4.880 50 50 GJGA CCCOc1ccc(/C=N/NC(=O)c2cc(CCC)nc3ccccc23)cc1 2110127 JQNVRXUAHJWSMJ-LFVJCYFKSA-N 375.472 4.740 50 50 GJGA Cc1cccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)c1 4210116 DBMQIQBNXWCMFA-ZVHZXABRSA-N 392.842 4.632 50 50 GJGA CCOC(=O)c1c(NC(=O)[C@H](C)Cl)sc2c1CC[C@@H](c1ccccc1)C2 74941457 SVCCYEFMYXEENE-GXTWGEPZSA-N 391.920 4.763 50 50 GJGA COC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 220956545 BEWAXSHYLWIORX-AWNIVKPZSA-N 380.202 4.791 50 50 GJGA CC(C)(C)c1ccc(-c2cc(C(=O)NN)c3cc(Br)ccc3n2)cc1 2755194 FLUBIAKADGBBFX-UHFFFAOYSA-N 398.304 4.565 50 50 GJGA O=C(Oc1ccc(Br)cc1)O[C@H](Cl)C(Cl)(Cl)Cl 3080906 YQJMHYLPMYSOCQ-ZETCQYMHSA-N 382.852 4.900 50 50 GJGA CC(C)(C)Oc1ccc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1 799750848 LMRDRECJHGZQIG-UHFFFAOYSA-N 377.366 4.511 50 50 GJGA COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3C)c2C)cc1 1188575 ZGINVLAMARERRH-XSFVSMFZSA-N 385.467 4.957 50 50 GJGA COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C#N)[C@H]3c2ccc(F)cc2)cc1 853805 RYMRDQRTYGLJQV-GAJHUEQPSA-N 388.442 4.719 50 50 GJGA CN(C)c1ccc(/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 3998498 SIIWAQBYEIVGBQ-LFIBNONCSA-N 376.441 4.848 50 50 GJGA N#CC1=C(N)Oc2[nH]c(-c3ccccc3)nc2[C@@H]1c1ccc(Cl)c(Cl)c1 5130773 QZDYFTVUYMSSMT-OAHLLOKOSA-N 383.238 4.602 50 50 GJGA C[C@](O)(C(=O)NN=C(/C=C/c1ccccc1)/C=C/c1ccccc1)c1ccccc1 2854368 MOOWBYQQGGPPRK-WQFAOALCSA-N 396.490 4.793 50 50 GJGA O=C(N/N=C/c1c[nH]c2ccccc12)[C@H]1CC1(c1ccccc1)c1ccccc1 704206 HHLPSPFZUGDXCY-UJUJBVAOSA-N 379.463 4.624 50 50 GJGA N#CC1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CCC2)[C@H]1c1cccs1 713283 AYZUYJKOBXGPJP-GOSISDBHSA-N 381.888 4.706 50 50 GJGA COc1ccc(OC)c(N/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)c1 2288346 WIKSMVDQIWLOGO-KAMYIIQDSA-N 381.432 4.943 50 50 GJGA CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1Cl)C(C#N)=C(N)O2 1305737 UYSNFVKHTYWNQA-IBGZPJMESA-N 390.874 4.696 50 50 GJGA Cc1cc(/C=N\NC(=O)c2cc3ccccc3cc2O)c(C)n1-c1ccccc1 16662293 OXKOIQUZHOCGCT-MYYYXRDXSA-N 383.451 4.717 50 50 GJGA CC[Si](CC)(CC)O[C@@H]1C(=O)N(C(=O)OC(C)(C)C)[C@@H]1c1ccccc1 196803546 LHTDXUKSFSMGCA-SJORKVTESA-N 377.557 4.895 50 50 GJGA Cc1ccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 2934909 JAIAGDPRFLKDPX-CVKSISIWSA-N 398.441 4.751 50 50 GJGA N/C=C(\c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100472582 WQLSAKLDUJOYII-YYADALCUSA-N 380.451 4.938 50 50 GJGA CCCc1cc(C(=O)OC)c(NC(=O)/C(C#N)=C/c2c[nH]c3ccccc23)s1 6636461 QXIUYKMEMILLKE-UKTHLTGXSA-N 393.468 4.514 50 50 GJGA C/C(=N\NC(=O)c1cc(C(C)C)cc(C(C)C)c1O)c1ccc([N+](=O)[O-])cc1 17078285 JZUKPDRJCIFPLS-HYARGMPZSA-N 383.448 4.701 50 50 GJGA Cc1cc(C)c(C)c([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c1C 792557 PEEOSITXVIFAOE-JOCHJYFZSA-N 384.483 4.633 50 50 GJGA COc1ccc2c(c1)CCC[C@@H]2CN(Cc1ccsc1C)C(=O)CCl 1875384542 SFJFESILZDCCDX-QGZVFWFLSA-N 377.937 4.753 50 50 GJGA C#CCOc1c(Cl)cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc1OCC 16362092 ACWPFAHRGGFQGG-PXNMLYILSA-N 381.815 4.544 50 50 GJGA Cc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(C)n1-c1ccc(C(=O)O)cc1 5042183 SYCDBYHGBCGUJZ-LDADJPATSA-N 382.423 4.733 50 50 GJGA COc1ccc2ccccc2c1/C=N\NC(=O)COc1ccc2ccccc2c1 16133992 JSGPRKJAAZVTDE-MYYYXRDXSA-N 384.435 4.531 50 50 GJGA C=CCc1ccccc1OCC(=O)N/N=C/c1cccc(Oc2ccccc2)c1 1051656 BSZJHGYESGESAP-KOEQRZSOSA-N 386.451 4.737 50 50 GJGA COc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])cc1OC 16361763 ASPGPZQDNYZCKD-XGICHPGQSA-N 379.199 4.983 50 50 GJGA Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)o1 1190242 LJNSUCFACQYCOG-GXDHUFHOSA-N 391.358 4.848 50 50 GJGA N#CC1=C(SCc2ccccc2)NC(=O)C[C@@H]1c1ccc(Br)cc1 8973136 QZLWFMLUHPZIAY-MRXNPFEDSA-N 399.313 4.721 50 50 GJGA O=C(N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12)c1ccccc1 4260077 MDQRCAWGSZJNMK-YZSQISJMSA-N 394.430 4.823 50 50 GJGA CC1=C(C#N)[C@H](c2ccc(O)cc2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 19762267 XBCIIRURVDSLLI-ZHRRBRCNSA-N 390.870 4.931 50 50 GJGA O=C(N/N=C/c1c(F)cccc1Cl)c1cc(-c2ccc3ccccc3c2)n[nH]1 945912 GVBRIEIRQFSEAB-WYMPLXKRSA-N 392.821 4.786 50 50 GJGA O=C(CSc1nc2ccccc2s1)N/N=C/c1cccc(Cl)c1Cl 2314502 PGESPRXADXGDHI-UFWORHAWSA-N 396.324 4.846 50 50 GJGA CCc1ccc([C@H]2C(C#N)=C(N)N(c3ccccc3F)C3=C2C(=O)CCC3)s1 2501786 MLPPUEGLIJBRFE-HXUWFJFHSA-N 393.487 4.754 50 50 GJGA C[C@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1ccccc1Br 2839153 HCWVPJBXZGMAKS-KOUDTOEKSA-N 397.272 4.520 50 50 GJGA N#C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1ccc(Cl)cc1 13895545 RYFQWQOCVLBIIF-PTNGSMBKSA-N 392.798 4.844 50 50 GJGA CCCCOc1ccc(/C=N/NC(=O)COc2ccc3ccccc3c2)cc1 2165814 QLZAGTICXPXZPS-LFVJCYFKSA-N 376.456 4.548 50 50 GJGA CCCCCCCCCC(=O)NCC(=O)N/N=C/c1cccc2ccccc12 102293776 GZFQOVMIHWFCAJ-KOEQRZSOSA-N 381.520 4.547 50 50 GJGA Br[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1S[C@H]1[C@H]2CC[C@@H](C2)[C@H]1Br 245312281 SSHGJJMUKDEIMS-VZEXLTRBSA-N 380.189 4.844 50 50 GJGA Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Cl)nc2C(F)(F)F)c(C)c1 221943068 RSUXHDSOIVWLEF-JYRVWZFOSA-N 379.769 4.916 50 50 GJGA O=C(NN=C1c2ccccc2-c2ccccc21)c1cccc(Br)c1 2893289 IXDPBJGHJPDOSH-UHFFFAOYSA-N 377.241 4.612 50 50 GJGA aggregator Cc1ccc(S(=O)(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 732069 DUTZVCQNCZSFAC-XDHOZWIPSA-N 394.408 4.502 50 50 GJGA OC[C@H](c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101011114 VVUJXDRCPVPNOE-AREMUKBSSA-N 383.451 4.714 50 50 GJGA CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(N3CCCC3)c(C)c2)cc1 3267846 ITJLTWRCIAAQOM-XDJHFCHBSA-N 375.472 4.540 50 50 GJGA CC(C)(O[Si](C)(C)C(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 202089370 FTRDTYSVLDPJLZ-UHFFFAOYSA-N 377.410 4.638 50 50 GJGA O=C(CI)Nc1ccc2ccc3cccc4ccc1c2c34 2565894 CVEFIQVNOAJGDW-UHFFFAOYSA-N 385.204 4.958 50 50 GJGA in-vitro O=C(CCC(=O)Nc1cccc(Cl)c1)N/N=C/c1ccc(Cl)cc1Cl 3083869 JAWRTBYUDZJGQS-UFFVCSGVSA-N 398.677 4.516 50 50 GJGA CSc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 752408 BANZCZOAIOMHOB-HRAATJIYSA-N 388.492 4.617 50 50 GJGA CS(=O)(=O)SCCC(=O)Nc1ccc2ccc3cccc4ccc1c2c34 2379167 URZKUTILUPDOKS-UHFFFAOYSA-N 383.494 4.605 50 50 GJGA in-vitro N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1ccc(F)cc1 1190177 CWBDDTLPGBFHEM-QBFSEMIESA-N 377.331 4.540 50 50 GJGA O=C(N/N=C/c1cccc(F)c1)c1ccccc1OCc1ccc(Cl)cc1 4360654 GOWBACMDBZLZNH-ZMOGYAJESA-N 382.822 4.822 50 50 GJGA COc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(C)cc1 8557848 UUWJALDNAYYHTB-DHDCSXOGSA-N 392.846 4.593 50 50 GJGA C[C@@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccc2ccccc2c1 2899603 UPSSFBJJFUKEOG-CYGNYLSHSA-N 397.272 4.520 50 50 GJGA C[C@@](O)(C(=O)NN=C(/C=C/c1ccccc1)/C=C/c1ccccc1)c1ccccc1 4992130 MOOWBYQQGGPPRK-JFFKBPBNSA-N 396.490 4.793 50 50 GJGA CCc1ccccc1NC(=O)C/C(C)=N/NC(=O)c1ccc(C(C)(C)C)cc1 135599555 AFOVHVVXBWIVNL-PCLIKHOPSA-N 379.504 4.681 50 50 GJGA C/C(=N\NC(=O)c1cc(C(C)C)cc(C(C)C)c1O)c1ccc2c(c1)OCO2 4651696 QHHRVODNKBPDMN-OEAKJJBVSA-N 382.460 4.522 50 50 GJGA Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccccc2Br)cc1 4209724 ZCABQYKMDAHHGP-LPYMAVHISA-N 396.288 4.621 50 50 GJGA CCOc1ccc(-c2n[nH]c(C(=O)N/N=C/C(C)=C/c3ccccc3)c2C)cc1 1902621 RAMNIWWHFJIPDV-NJLMASNVSA-N 388.471 4.603 50 50 GJGA BrC/C=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 68568675 GPHFPIRAVVLWMW-ZHACJKMWSA-N 396.288 4.932 50 50 GJGA C/C(=N\NC(=O)CSc1nc2ccccc2s1)c1ccccc1Cl 15354437 YUDGOBQWMKLQFE-RGVLZGJSSA-N 375.906 4.582 50 50 GJGA Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccc(Br)s2)c(C)c1 6527715 NZFQCZWVTUJEKV-MDWZMJQESA-N 375.291 4.982 50 50 GJGA COc1ccc(N/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)c(OC)c1 2286199 HNNSBAZXXYDJQO-KAMYIIQDSA-N 381.432 4.943 50 50 GJGA COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2)cc1 4678280 SOEOBFKUPSXKMB-NBVRZTHBSA-N 395.418 4.855 50 50 GJGA COc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 1956268 OOCCQCWNSFBLSJ-PCLIKHOPSA-N 381.435 4.674 50 50 GJGA O=C(N/N=C/c1cc2ccccc2nc1Cl)c1ccc(Cl)cc1Cl 4210659 GTJIONIWZBRMSE-ZVBGSRNCSA-N 378.646 4.959 50 50 GJGA CC(C)[C@@H](C=C(Br)Br)CCI 71786640 AFNLQCIHRYAXPD-SSDOTTSWSA-N 395.904 4.715 50 50 GJGA Cc1cccc(NNC(=O)C(O)(c2cc(C)ccc2C)c2cc(C)ccc2C)c1 5063748 VPJJYEJTCDTJCO-UHFFFAOYSA-N 388.511 4.608 50 50 GJGA CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1c[nH]c2ccccc12 102294540 AXJCOOYSDZSBHY-YZSQISJMSA-N 398.551 4.655 50 50 GJGA CCN(c1ccc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1)C(C)C 799748029 MJTYMZBNFYYCFT-UHFFFAOYSA-N 390.409 4.569 50 50 GJGA CC(C)N1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccccc2)/C(=C/c2ccccc2)C1 19805236 SBECLKASQBLMNB-CEMPLAKHSA-N 383.495 4.556 50 50 GJGA CCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1 4372624 GPBCXAZVPPIZOR-UPMNJHNBSA-N 388.467 4.670 50 50 GJGA CC(C)(C)[Si](C)(C)OC[C@H]1OC(=O)[C@H](Cl)[C@@H]1O[Si](C)(C)C(C)(C)C 328578379 JOLJJTLIRSHWFN-MGPQQGTHSA-N 395.088 4.931 50 50 GJGA O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)Nc1ccccc1 1231448 SCJNOEXFJKHDLX-RGVLZGJSSA-N 384.779 4.664 50 50 GJGA CCSC1=C(C#N)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N1 19337764 PBNZJZIVSVDIOU-FQEVSTJZSA-N 375.497 4.774 50 50 GJGA COc1ccc(-c2csc(/C(C#N)=C\Nc3ccccc3F)n2)cc1OC 100564960 TVWYPAOTVWWQTP-KAMYIIQDSA-N 381.432 4.943 50 50 GJGA O=C(O)C1(P(=O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CCCC1 2889396 KKXMMMNLGZUZMG-UHFFFAOYSA-N 383.211 4.705 50 50 GJGA C/C(=N\NC(=O)c1cc(-c2cccs2)n[nH]1)c1ccc(Cl)cc1Cl 5354095 ZWFZRCROOCNNET-DJKKODMXSA-N 379.272 4.599 50 50 GJGA N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1Cl 752590 IOLXKUYTMGLVPP-XOBRGWDASA-N 376.843 4.548 50 50 GJGA BrC[C@H]1CN=C(N(Cc2ccccc2)Cc2ccccc2)S1 101053511 PRDPHZWMUKUXII-KRWDZBQOSA-N 375.335 4.555 50 50 GJGA N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1)C(N)=O 1196678 WGQITDQHOWFGHY-QNGOZBTKSA-N 390.446 4.599 50 50 GJGA C[C@H](Oc1ccccc1Br)C(=O)N/N=C/c1ccc2ccccc2c1 2903152 PDIBIHDOOMWKQO-KOUDTOEKSA-N 397.272 4.520 50 50 GJGA N#CC1=C(N)OC2=C(CSC/C2=C\c2ccccc2F)[C@@H]1c1ccccc1F 4744706 SNKWAOHFYBINMO-CBHXRGPZSA-N 394.446 4.857 50 50 GJGA C/C(=N\NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1)c1ccc(O)cc1 39943848 CDLGRNMIQWFHSO-PCLIKHOPSA-N 396.450 4.603 50 50 GJGA Cc1noc(C)c1CC(=O)OC1CCC(CO[Si](C)(C)C(C)(C)C)CC1 328595754 DLQAGWLBQKERMG-UHFFFAOYSA-N 381.589 4.958 50 50 GJGA COc1cc(/C=C(/C#N)C(=O)C(C)(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 5520073 QWPZQEOUEMWROR-BOPFTXTBSA-N 394.427 4.705 50 50 GJGA COc1cc(/C=C/C(=N\C(C)=C\C#N)c2ccc(C)cc2)cc(OC)c1OC 221597977 ODMSIAXFUIPLQT-YVIFPREPSA-N 376.456 4.951 50 50 GJGA Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccccc1Cl)C(C#N)=C(N)O2 629585 NKJDFVJRAJWNKC-GOSISDBHSA-N 397.265 4.706 50 50 GJGA Cc1ccc(COc2ccc(C(=O)N/N=C/c3cccc(Cl)c3)cc2)cc1 4360552 HDWXSECXNVPGRP-ZVHZXABRSA-N 378.859 4.991 50 50 GJGA COc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1O 16671854 PRTBJBBGKYRMLN-OVCLIPMQSA-N 394.452 4.606 50 50 GJGA COc1ccc(/C=N/NC(=O)c2cccc(N3Cc4cc(C)c(C)cc4C3)c2)cc1 2897773 FTVZWUHTCMDFNS-VULFUBBASA-N 399.494 4.596 50 50 GJGA Cc1cccc(-c2cc(C(=O)N/N=C/c3ccccc3O)c3ccccc3n2)c1 667860 JYYPJKMZQBBTQY-MFKUBSTISA-N 381.435 4.680 50 50 GJGA N#C/C(=C\c1ccc(-c2cccc(C(=O)O)c2)o1)C(=O)Nc1ccc(Cl)cc1 2248415 VIDVKFOOAJUAIM-RVDMUPIBSA-N 392.798 4.844 50 50 GJGA CCOc1ccc(NC(=O)/C(C#N)=C/C=C2\N(C)c3ccccc3C2(C)C)cc1 1444488 CAMGBFLWCACILF-QAIJUKEUSA-N 387.483 4.785 50 50 GJGA O=C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 95682182 CBQRJWBLUBDHAZ-UHFFFAOYSA-N 381.435 4.863 50 50 GJGA in-vitro Cc1cccc(NCC(=O)N/N=C/c2cc(/N=N/c3ccccc3)ccc2O)c1 4018564 HQCMLPXRQOOLMD-IPIVFHEZSA-N 387.443 4.678 50 50 GJGA N#CC1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1cc(Br)cs1 1231705 ALJWFQPLRUTOOQ-MRXNPFEDSA-N 383.270 4.882 50 50 GJGA Cc1ccsc1C(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 673142 ISPBTKCCTLAQKN-DJKKODMXSA-N 389.820 4.642 50 50 GJGA Cc1nn(-c2ccc3ccccc3c2)c2c1[C@@H](c1ccsc1)C(C#N)=C(N)O2 1116856 FCDWWVPOYHWVDM-FQEVSTJZSA-N 384.464 4.614 50 50 GJGA N#C/C(=C\c1ccccc1OCc1ccccc1)c1nc(O)c2ccccc2n1 3945062 FFVXLKVDNSPGLD-XMHGGMMESA-N 379.419 4.979 50 50 GJGA CCCOc1ccccc1-c1cc(C(=O)N/N=C/C(C)=C/c2ccccc2)[nH]n1 5634022 NEMPBCWLXLGHHW-ZMCADSIOSA-N 388.471 4.685 50 50 GJGA COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(OC)cc3OC)n2)cc1 100589628 NIDZOVLMIBQEDY-QINSGFPZSA-N 393.468 4.812 50 50 GJGA O=C(N/N=C/c1c[nH]nc1-c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 5594856 LHWYIMRHHVEIBY-LSFURLLWSA-N 393.661 4.801 50 50 GJGA CCCCCCCCCCCCNC(=S)NNC(=O)Cc1ccccc1 100815870 NISKQOXNGWOHSB-UHFFFAOYSA-N 377.598 4.645 50 50 GJGA Cc1ccc(NC(=O)NNC(=O)CC(c2ccccc2)c2ccccc2)c(C)c1 17079115 UHNQYXKFEZSLSL-UHFFFAOYSA-N 387.483 4.678 50 50 GJGA CCN(CC)c1ccc(C=NNC(=O)c2cc(C3CC3)nc3ccccc23)cc1 252678573 FLIRRGQRNWEOGK-UHFFFAOYSA-N 386.499 4.722 50 50 GJGA COc1ccc2nc3cc(Cl)ccc3c(NCCCNCCCl)c2c1 4261995 OAPNFEMIOBGOHM-UHFFFAOYSA-N 378.303 4.680 50 50 GJGA in-vitro Br[C@H]1[C@H]2CC[C@@H](C2)[C@H]1S[C@H]1[C@H]2CC[C@@H](C2)[C@H]1Br 245312278 SSHGJJMUKDEIMS-ALOZIACYSA-N 380.189 4.844 50 50 GJGA Cc1nc(CN(Cc2ccc(-c3ccccc3)s2)C(=O)CCl)cs1 1875383613 AQKVIUGNEWXYLM-UHFFFAOYSA-N 376.934 4.948 50 50 GJGA CCCSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccccc2)=C(C)N1 19534919 RPKAOPBDXKNTQD-LJQANCHMSA-N 379.485 4.757 50 50 GJGA CCCCCCCOc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 2753442 OSNAQGUVFRFYCC-CJLVFECKSA-N 383.448 4.708 50 50 GJGA COc1ccccc1N/C=C(\C#N)c1nc(-c2ccc(OC)c(OC)c2)cs1 2906358 JOHHTROFAJYUJA-NTCAYCPXSA-N 393.468 4.812 50 50 GJGA COc1ccc(/C=N/NC(=O)c2ccccc2OCc2ccc(Cl)cc2)cc1 3231838 ZTVLSIBFMOAFKQ-ZVHZXABRSA-N 394.858 4.692 50 50 GJGA C#CCOc1c(Br)cc(/C=C(/C#N)c2ccc(F)cc2)cc1OC 5068504 CGADVTZQTSOKOY-DHDCSXOGSA-N 386.220 4.673 50 50 GJGA C[Si](C)(C)O[C@]1(C#N)C=C[C@]23C(=O)CC[C@H]2C2(C[C@H]3C1)SCCCS2 257358887 WZHSVDLKPYDZHC-JOCBIADPSA-N 393.650 4.612 50 50 GJGA C[C@@H](Nc1cccc2ccccc12)C(=O)N/N=C/c1c(O)ccc2ccccc12 1202346 HPYHJOAYPDPQAL-FYHAJLKWSA-N 383.451 4.649 50 50 GJGA CC(C)Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3Cl)[nH]n2)cc1 5359838 OHGVWVAPYBEQEV-YDZHTSKRSA-N 380.879 4.693 50 50 GJGA O=C(N/N=C/c1c(Cl)cccc1Cl)c1cc(-c2ccc(Cl)s2)n[nH]1 5446470 JAZSZJMDEWINGO-FBCYGCLPSA-N 399.690 4.862 50 50 GJGA CCc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)NCc2ccc(Cl)cc2)cc1 17079822 VZWOYNVXXMZINY-WOJGMQOQSA-N 390.874 4.516 50 50 GJGA O=C(CCn1c2c(c3ccccc31)CCCC2)NN=Cc1c[nH]c2ccccc12 245238592 VGELIIPOICUTSZ-UHFFFAOYSA-N 384.483 4.542 50 50 GJGA Cc1ccc(/C=N/NC(=O)c2sc3nc(C)cc(C)c3c2-n2cccc2)cc1 1383855 QKBKJXLNGDHDRW-YDZHTSKRSA-N 388.496 4.776 50 50 GJGA O=C(N/N=C/c1cccc(F)c1)c1ccc(OCc2ccc(Cl)cc2)cc1 4360489 AWJNZKBGHVMEJY-ZMOGYAJESA-N 382.822 4.822 50 50 GJGA O=C(NNC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 5004032 ZRXQVPNQFXWNAQ-UHFFFAOYSA-N 378.475 4.913 50 50 GJGA N#C/C(=C/c1ccc(-c2ccccc2C(=O)O)o1)C(=O)Nc1ccc(Cl)cc1 13785655 CLBBDIMRCRCVCM-QBFSEMIESA-N 392.798 4.844 50 50 GJGA O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2ccccc2)cc1 1878507 IZLYIYTVJKGMJS-LPYMAVHISA-N 379.803 4.679 50 50 GJGA O=C(N/N=C/c1ccccc1F)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 1210210 DYUYKHDWSNKSPQ-WGOQTCKBSA-N 396.425 4.714 50 50 GJGA COC(=O)[C@H]1CC=C2C(C)(C)[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@@]2(C)C1=O 169835355 OWSGLNJXHQYREH-WDUKFBBWSA-N 380.601 4.892 50 50 GJGA N#C/C(=C/c1ccc(OCc2ccccc2C#N)cc1)c1ccc(C(=O)O)cc1 2890991 HBSYYOUACGEEDI-XKZIYDEJSA-N 380.403 4.900 50 50 GJGA Cc1cc(C)c(CCl)c(C)c1/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4416236 COAPGDMKIQZFLA-DJKKODMXSA-N 376.800 4.613 50 50 GJGA COc1ccc(-c2csc(/C(C#N)=C/c3ccccc3[N+](=O)[O-])n2)cc1OC 5008810 MTTVZAXREJAHLP-OQLLNIDSSA-N 393.424 4.800 50 50 GJGA CCOC(=O)c1c(NC(=O)[C@@H](C)Cl)sc2c1CC[C@H](c1ccccc1)C2 74941459 SVCCYEFMYXEENE-OCCSQVGLSA-N 391.920 4.763 50 50 GJGA CN(C)c1ccc(/C=N/NC(=O)c2[nH]c3ccccc3c2-c2ccccc2)cc1 1389184 IQJLNICHVMMSSC-PCLIKHOPSA-N 382.467 4.665 50 50 GJGA C/C(=N\NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1)c1ccccc1O 5354307 BOONALZCMJONAJ-PCLIKHOPSA-N 396.450 4.603 50 50 GJGA CSc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 752407 BANZCZOAIOMHOB-KKSFZXQISA-N 388.492 4.617 50 50 GJGA O=C(NNc1cc(C(F)(F)F)cc(Cl)n1)c1cccc(C(F)(F)F)c1 169621091 UNTICZNAXDYADK-UHFFFAOYSA-N 383.679 4.530 50 50 GJGA O=C(N/N=C/c1cccc(Br)c1)C(c1ccccc1)c1ccccc1 2951266 TXEPKARTSNUUMM-HZHRSRAPSA-N 393.284 4.731 50 50 GJGA Cc1ccc2cc(/C=N/NC(=O)COc3ccc(C(C)C)cc3)c(Cl)nc2c1 5795812 LDSUQIQDXVEWKM-WYMPLXKRSA-N 395.890 4.849 50 50 GJGA ICCCCCCCCCI 100256617 QVXLFUVDXDMDFE-UHFFFAOYSA-N 380.051 4.587 50 50 GJGA FC(F)(F)Oc1cc(Br)cc(Br)c1N=C=S 4313172 YOXALMHPRKYNMZ-UHFFFAOYSA-N 376.979 4.845 50 50 GJGA CC1(C)CC(=O)C2=C(C1)OC(n1cccc1)=C(C#N)[C@H]2c1cccc([N+](=O)[O-])c1 4751371 KPGKCOGOUJASIP-LJQANCHMSA-N 389.411 4.546 50 50 GJGA N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccs2)[C@H]2C[C@H](c3ccccc3)CC=C12 13479740 MCKRCQNHIRZESC-MMOPVJDHSA-N 382.492 4.735 50 50 GJGA Cc1ccc(S(=O)(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2)cc1 936800 JLOSVJPYLQZASD-PXLXIMEGSA-N 389.476 4.912 50 50 GJGA CC(C)(C)[C@H]1COC(c2ccccc2P(c2ccccc2)c2ccccc2)=N1 59152869 DMOLTNKQLUAXPI-HSZRJFAPSA-N 387.463 4.636 50 50 GJGA in-vitro Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c1 4711284 DBMZIOGNHLXOFX-ODLFYWEKSA-N 399.450 4.677 50 50 GJGA O=C(N/N=C/c1c(Cl)cccc1Cl)c1cc(-c2ccccc2Cl)n[nH]1 5353337 GZRHWOIBCXDCCJ-ZVBGSRNCSA-N 393.661 4.801 50 50 GJGA CO[C@H]1CC[C@]2(C)C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@H]3CC(=O)O[C@@H]3[C@@H]2O1 216522576 IHLRZFFYJCOWIA-ICVGXQTJSA-N 398.616 4.650 50 50 GJGA Cc1[nH]c2ccccc2c1/C=N/NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1 833203 AQTIHKMFJBGAEE-RQFMOZSRSA-N 393.490 4.933 50 50 GJGA N#C/C(=C\c1ccccc1OCc1cccc(F)c1)S(=O)(=O)c1ccccc1 2855554 LQNHBTRXNJYPGO-KGENOOAVSA-N 393.439 4.743 50 50 GJGA CCSC1=C(C#N)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N1 19805661 OZARBJGYCNRVJI-SFHVURJKSA-N 381.526 4.836 50 50 GJGA CCOc1ccccc1/C=N/NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 4372673 MCLPFCKTKZRWFE-WLXKGNRNSA-N 388.467 4.670 50 50 GJGA CC1(C)NN=C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C1(C)C 101013040 NJNPDSRHSVVZKO-UHFFFAOYSA-N 387.487 4.702 50 50 GJGA C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(C#N)O[Si](C)(C)C 253499498 IPIYLSHSOAXUMV-JQTDGLIBSA-N 399.607 4.811 50 50 GJGA biogenic N#CC1=C(N)Oc2c(ccc3ccccc23)[C@@H]1c1ccc(Br)cc1 4073077 ORENNRPNGIBKAP-SFHVURJKSA-N 377.241 4.820 50 50 GJGA CC(C)(C)[Si](C)(C)OCc1cc2cncc(I)c2o1 306145251 XVERXRBEEASQAG-UHFFFAOYSA-N 389.309 4.954 50 50 GJGA Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1ccc(Cl)c(Cl)c1 656987 FBHQXQSREDYLEM-SSDVNMTOSA-N 387.270 4.560 50 50 GJGA N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccc(Cl)c1 706114 CNDGDTUKCKMPBM-QRWLVFNGSA-N 376.843 4.548 50 50 GJGA Cc1cccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)c1 2506433 WMPIGUOVHYMQSC-ZVHZXABRSA-N 392.842 4.632 50 50 GJGA COc1ccccc1[C@@H]1CC(=O)NC(SCc2ccccc2Cl)=C1C#N 9088864 PIAKZHUIQRHPSN-HNNXBMFYSA-N 384.888 4.621 50 50 GJGA O=C(N/N=C/c1ccc(-c2ccccc2)cc1)c1ccccc1Br 2054597 FWZVOBXBXNRJQK-HYARGMPZSA-N 379.257 4.880 50 50 GJGA O=C(CSc1cccc2ccccc12)N/N=C/c1ccccc1OC(F)F 827846313 ACEFROUDXUTAAC-FSJBWODESA-N 386.423 4.684 50 50 GJGA CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCC(C)C 5093871 RMDZUVADIQENQU-WFBRRHHDSA-N 384.520 4.722 50 50 GJGA O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1213646 MQMUJUDEFSROCZ-BUVRLJJBSA-N 399.406 4.701 50 50 GJGA Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(C(=O)O)c2)c1C 4710632 GFUUVFMSGWWSFG-NDENLUEZSA-N 399.450 4.646 50 50 GJGA CCc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc4ccccc4c3)[nH]n2)cc1 9089470 YFPWOMCYFNINLW-PCLIKHOPSA-N 382.467 4.946 50 50 GJGA CCc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1 17077090 CRFPWMWJUGBYKB-WJDWOHSUSA-N 376.847 4.838 50 50 GJGA CCn1c2ccccc2c2cc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)ccc21 2485590 RCMSWGPTLRZFQT-JOCHJYFZSA-N 383.451 4.629 50 50 GJGA COc1cc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)c([N+](=O)[O-])cc1OC 4866358 XMZWXYDSQNPMHP-OVCLIPMQSA-N 393.424 4.800 50 50 GJGA N#CC(NC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1)=C(Cl)Cl 1857800056 ZDIQIGBPUHKPEZ-UHFFFAOYSA-N 381.646 4.819 50 50 GJGA COC(=O)c1cccc(-n2c(C)cc(/C=C(\C#N)c3nc4ccccc4[nH]3)c2C)c1 4756174 QPENLBDHHGGQSM-XDHOZWIPSA-N 396.450 4.821 50 50 GJGA CC(C)c1ccc(/C=N/NC(=O)c2cc(C34CC5CC(CC(C5)C3)C4)n[nH]2)cc1 6782228 ASKRWYJRRHQPAN-AFUMVMLFSA-N 390.531 4.765 50 50 GJGA O=C(CSc1nc2ccccc2s1)N/N=C/C(Cl)=C/c1ccccc1 2327929 FDCVWROQIZCJQS-MCXKGUMDSA-N 387.917 4.770 50 50 GJGA O=C(NNC(=O)c1ccc(-c2ccccc2)cc1)Nc1cccc2ccccc12 1002485 JJWQFHBSOWEMFL-UHFFFAOYSA-N 381.435 4.973 50 50 GJGA Cc1cc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cs1 2743954 SPVUEOZHORRLCT-YDZHTSKRSA-N 386.480 4.673 50 50 GJGA Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(Br)c([N+](=O)[O-])c3)nc2c1 5387319 WEDLURNALYECMG-GHXNOFRVSA-N 383.205 4.606 50 50 GJGA N#CC1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(F)cc1 2754193 GMITWKOIYJJJSK-HXUWFJFHSA-N 393.849 4.784 50 50 GJGA COc1ccc(/C=N\NC(=O)c2ccoc2C)cc1COc1ccc(Cl)cc1 32573593 BNTNNOCIDBSERY-FMCGGJTJSA-N 398.846 4.593 50 50 GJGA CCN(CC)c1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 2898227 GSJTWXLRALQCFQ-WLXKGNRNSA-N 389.499 4.604 50 50 GJGA C=CCOc1ccccc1/C=N/NC(=O)c1ccc(OCc2ccccc2)cc1 2899465 PLBVDBDWFIBTSK-KOEQRZSOSA-N 386.451 4.594 50 50 GJGA Cc1ccccc1[C@@H]1C(C#N)=C(N)N(c2ccccc2Cl)C2=C1C(=O)CCC2 689148 YEOGXGRXJFINCI-OAQYLSRUSA-N 389.886 4.953 50 50 GJGA N#CC1=C(N)Oc2c(ccc3ccccc23)[C@@H]1c1ccccc1Br 1229012 NPVVBQKJQDERJR-SFHVURJKSA-N 377.241 4.820 50 50 GJGA Cc1nn(-c2ccc3ccccc3c2)c2c1[C@H](c1ccsc1)C(C#N)=C(N)O2 5060070 FCDWWVPOYHWVDM-HXUWFJFHSA-N 384.464 4.614 50 50 GJGA CC(C)N1CCC(=NNC(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 55008605 AQPSHIAVWQKXEY-UHFFFAOYSA-N 384.332 4.798 50 50 GJGA N#CC1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CCC2)[C@H]1c1ccc(F)cc1 2754192 GMITWKOIYJJJSK-FQEVSTJZSA-N 393.849 4.784 50 50 GJGA CC(=O)Nc1ccc(/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 4525019 SOUVBSFGRPILHR-MHWRWJLKSA-N 390.424 4.741 50 50 GJGA CC(C)(C)c1cc(/C=N/NC(=O)CC2(O)CCCCC2)cc(C(C)(C)C)c1O 4975320 GSGJSDJSIBAINJ-BUVRLJJBSA-N 388.552 4.523 50 50 GJGA O=C(N/N=C/c1ccco1)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 1386826 OAJTZRRBDNXESP-SSDVNMTOSA-N 389.238 4.929 50 50 GJGA CC1=C(C#N)[C@@H](c2ccc(O)cc2)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 19762270 XBCIIRURVDSLLI-KSFYIVLOSA-N 390.870 4.931 50 50 GJGA O=C(Oc1ccc(/C=N/NC(=O)C2CCCCC2)cc1)c1ccc(Cl)cc1 43761107 LDOCUTZVZPYZRB-OEAKJJBVSA-N 384.863 4.590 50 50 GJGA COc1ccccc1N/C=C(/C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 100296510 XYUHIQZHEFLDCN-KAMYIIQDSA-N 378.413 4.703 50 50 GJGA COc1ccc(-c2csc(/C(C#N)=C/Nc3cccc([N+](=O)[O-])c3)n2)cc1 1190966 SDUUIYOFODXFIV-SDNWHVSQSA-N 378.413 4.703 50 50 GJGA N#C/C(=C\c1c(O)ccc2ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 17080467 WTJGLIKVFHLNKK-UKTHLTGXSA-N 393.786 4.653 50 50 GJGA CC(=O)c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)o1 95670808 HKMHOTMNBSVXOQ-UHFFFAOYSA-N 385.423 4.976 50 50 GJGA C[C@H](CCI)C[C@@H](C(=O)OC(C)(C)C)[Si](C)(C)C 169832167 GWZXXKXYVTZIHZ-NEPJUHHUSA-N 384.374 4.888 50 50 GJGA Cc1ccc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1[N+](=O)[O-] 2734140 VZEFMHLKLQXPNT-ZVHZXABRSA-N 383.407 4.974 50 50 GJGA CCCCc1ccc(OCC(=O)N/N=C/c2cc3ccccc3nc2Cl)cc1 4210091 OICLXSYZZFBEQK-ZVHZXABRSA-N 395.890 4.760 50 50 GJGA CCCc1cc(C(=O)N/N=C/c2ccccc2Br)c2ccccc2n1 1003519 GFMASKGIDCCHQT-LPYMAVHISA-N 396.288 4.714 50 50 GJGA CCOC(=O)c1sc2ccc(Br)cc2c1CBr 606225514 YZPXTKCPSLLYKC-UHFFFAOYSA-N 378.085 4.735 50 50 GJGA Cc1nn(C)c(NC(=O)NNc2ccccc2C(F)(F)F)c1-c1ccccc1 1875303910 RWRUUVMPQZDMHV-UHFFFAOYSA-N 389.381 4.563 50 50 GJGA O=C(CCCCCCCC(=O)NN=C1CCCCC1)NN=C1CCCCC1 5494808 YOWNIDAFVSIDOD-UHFFFAOYSA-N 376.545 4.590 50 50 GJGA O=C(c1ccccc1)[C@@H](Cl)[C@H](c1ccccc1)[C@@H](Cl)C(=O)c1ccccc1 239432849 WPPWJZVIVJPWCN-MZADTFQBSA-N 397.301 5.751 50 50 GJGA O=C(CSCc1ccccc1Cl)N/N=C/c1ccc2c3c(cccc13)CC2 2905180 HPQWJUAZZABQJY-WYMPLXKRSA-N 394.927 4.975 50 50 GJGA CCc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)[nH]n2)cc1 5317625 JFBODBGPMFXWQA-SSDVNMTOSA-N 387.270 4.710 50 50 GJGA CCCCn1cc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCO3)c2ccccc21 17079079 NSVCLESAJUYARK-LFIBNONCSA-N 387.439 4.716 50 50 GJGA CCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(OC)cc2)cc1 2325809533 GRRVZHOJLZNDEY-JJIBRWJFSA-N 396.487 4.725 50 50 GJGA CC1=C(C#N)C(c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(C#N)=C(C)N1 1037107 CCGAJSGQLVPIBQ-UHFFFAOYSA-N 380.791 4.790 50 50 GJGA Cc1cc(-c2n[nH]c3c2[C@H](c2ccccc2Cl)C(C#N)=C(N)O3)c(C)s1 5130148 JTQVEIQRKMILSO-OAHLLOKOSA-N 382.876 4.627 50 50 GJGA