smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1onc(-c2ccccc2)c1NC(=O)N(CCC#N)Cc1ccccc1 3161762 DTZQSKZRJCIWDI-UHFFFAOYSA-N 360.417 4.598 30 30 FJEC N#Cc1c(N)nc(Sc2ccc(Cl)cc2)c(C#N)c1-c1ccccc1 20432637 KUXOBBNEYDQQAR-UHFFFAOYSA-N 362.845 4.879 30 30 FJEC CCON=C1C[C@H](C)Cc2nnc(-c3ccc(Cl)cc3Cl)cc21 1082838156 XITFJVYFZSBAKO-SNVBAGLBSA-N 350.249 4.773 30 30 FJEC O=C(ON=C1C[C@@H]2CCC[C@H](C1)N2Cc1cccs1)c1ccc(F)cc1 63598823 UQYCAFFUZPEUAV-HDICACEKSA-N 372.465 4.617 30 30 FJEC N#CCCSc1ccccc1/N=C/c1cc(Br)ccc1O 4377247 CQRJHHHPLJCYKO-YBFXNURJSA-N 361.264 4.911 30 30 FJEC N#Cc1c(N)nc(Sc2ccc(Cl)cc2)c(C#N)c1-c1cccs1 20432638 UBNXMKPGDJTAIT-UHFFFAOYSA-N 368.874 4.940 30 30 FJEC Cn1nc(C(F)(F)F)c(C=NO)c1SCc1ccc(C(C)(C)C)cc1 254814289 GQCSTJAQCPXLSB-UHFFFAOYSA-N 371.428 4.837 30 30 FJEC CCC[C@H]1CC(=NOC)c2cc(-c3ccc(Br)cc3)nnc2C1 1082838540 FODLNCWXFGFHKI-GFCCVEGCSA-N 374.282 4.619 30 30 FJEC N#Cc1c(-c2ccccc2Cl)c2c([nH]c1=O)-c1ccccc1SC2 1035700 BZKDRBWTJZBOKF-UHFFFAOYSA-N 350.830 4.840 30 30 FJEC CCOC(=O)c1cc(C#N)c(Oc2ccc(Cl)cc2)nc1C(F)(F)F 3467405 YPWRCGJTNJYPSD-UHFFFAOYSA-N 370.714 4.594 30 30 FJEC N#C/C(=N\Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)cc1 17201610 NURCWMVJOWDSAD-KGENOOAVSA-N 352.608 4.821 30 30 FJEC CC1=C(OC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)C(=O)CC1 1024040 KARMRPIUDHCGPN-UHFFFAOYSA-N 366.200 4.751 30 30 FJEC O=C(Nc1ccccc1)ON=C1C[C@@H]2CCC[C@H](C1)N2Cc1cccs1 59602180 XCBKJYDFFMIZCC-HDICACEKSA-N 369.490 4.870 30 30 FJEC C=CCn1c(SCc2ccccc2)nnc1-c1ccc2ncccc2c1 1040300 VKOKWZWVABVAGW-UHFFFAOYSA-N 358.470 4.972 30 30 FJEC C/C(=N\OCc1nc(-c2cccc(Cl)c2)no1)c1ccc(Cl)cc1 4697059 MWCYNWFOAMCJEU-SRZZPIQSSA-N 362.216 4.984 30 30 FJEC CCc1cc(N2C(=O)C(O)=C(C(C)=O)[C@H]2C2CCCCC2)ccc1Cl 34282028 WYBQTLXGYGOSML-GOSISDBHSA-N 361.869 4.599 30 30 FJEC S=C(N/N=C/c1ccc(Cl)cc1)Nc1cc(Cl)ccc1Cl 1041725 YDRCZNPPQPNXHT-QGMBQPNBSA-N 358.681 4.967 30 30 FJEC O=C1C(=Cc2ccc(OCc3ccccc3Cl)cc2)N2CCC1CC2 2265279232 RHCXUAHTTDQGRT-UHFFFAOYSA-N 353.849 4.555 30 30 FJEC CCC(C)(C)/C(=N\Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 12367604 NZHRDBLUFVPIFK-ZPHPHTNESA-N 357.366 4.722 30 30 FJEC COC(=O)c1cccc(CO/N=C(\C)c2ccc(Cl)c(Cl)c2)c1 4697152 KZJOEYNKLLFFTK-RGVLZGJSSA-N 352.217 4.721 30 30 FJEC CC(C)(O)C#C[C@H]1C=Cc2ccc3c4c(ccc1c24)[C@@H](C#CC(C)(C)O)C=C3 38526322 KHLGQJTZVKXDJO-QZTJIDSGSA-N 368.476 4.609 30 30 FJEC Clc1ccccc1/C=N/Nc1nc(-c2ccc3c(c2)OCCO3)cs1 4394998 MTMVHKHACAOFSH-KEBDBYFISA-N 371.849 4.681 30 30 FJEC CC(C)Cc1ccc(C=NNC(=N)SCc2ccc(F)c(F)c2)cc1 254404345 APJFLNBIVCLRMH-UHFFFAOYSA-N 361.461 4.955 30 30 FJEC CCN(CC)c1ccc(/N=N/c2c(C#N)cc([N+](=O)[O-])cc2C#N)c(C)c1 33608318 HCOYTIPJLYJCDR-GHVJWSGMSA-N 362.393 4.908 30 30 FJEC N#CCCN(Cc1cccs1)C(=O)Nc1cccc(C(F)(F)F)c1 4325258 QEZBHFKZPZLYDN-UHFFFAOYSA-N 353.369 4.715 30 30 FJEC O=C(c1ccccc1)n1ccc(-c2ccc(C#Cc3ccccc3)s2)n1 1039392 WMOKKPWLRGJMSV-UHFFFAOYSA-N 354.434 4.700 30 30 FJEC CCC[C@@]12CCC(=O)C=C1c1c(cc(OCC(=O)O)c(Cl)c1Cl)C2 27893143 ALFVAHDVPGFPIK-SFHVURJKSA-N 369.244 4.546 30 30 FJEC Cc1cc(NC(=O)N(CCC#N)Cc2ccccc2)c(C(F)(F)F)o1 4325216 IYANAAFNWOXAAP-UHFFFAOYSA-N 351.328 4.555 30 30 FJEC CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)O 28538055 CLHUCXCVFSEJRR-IBGZPJMESA-N 371.562 4.810 30 30 FJEC Cc1c(C(=NOCc2ccccc2)C2CC2)cnc2cc3c(cc12)OCO3 254488659 OGCFUOFPIKDKQO-UHFFFAOYSA-N 360.413 4.603 30 30 FJEC CC(C)=NOC(=O)c1ccc(CSc2ccc(C(F)(F)F)cn2)o1 1038736 RCAWLMRCICGCTI-UHFFFAOYSA-N 358.341 4.538 30 30 FJEC C/C(=N\Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccco1 4335072 HYZDZIPLQLVVAH-HZHRSRAPSA-N 355.401 4.635 30 30 FJEC C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C/C(=N\O)CC[C@@H]4[C@H]3CC[C@@]21CC 261362034 KIQQMECNKUGGKA-NPUFKNHTSA-N 369.505 4.715 30 30 FJEC in-vitro ON=Cc1c(SCc2cccc(C(F)(F)F)c2)nc2sccn12 254401944 CWJAHKCPRQQPQF-UHFFFAOYSA-N 357.382 4.515 30 30 FJEC Cc1ccc(C(=O)ON=Cc2c(-c3ccccc3)nc3sccn23)cc1 725274100 FETPMJRTBMMCQD-UHFFFAOYSA-N 361.426 4.562 30 30 FJEC C=CCSc1ccc(OCC(F)(F)F)c(C#N)c1OCC(F)(F)F 2154241 ZMZBXRMIBGFEKU-UHFFFAOYSA-N 371.302 4.719 30 30 FJEC N#Cc1c[nH]c2ccc(NC(=O)/C=C/c3ccc(OC(F)(F)F)cc3)cc12 1047171 URAFMJIWZCHAGC-FPYGCLRLSA-N 371.318 4.590 30 30 FJEC COc1ccc(-c2nc(SCc3ccccc3)nc(S)c2C#N)cc1 1037092 VBMKXAQRQKWZJY-UHFFFAOYSA-N 365.483 4.605 30 30 FJEC O=S(=O)(c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2142852 AITUQBPSLDFIMU-UHFFFAOYSA-N 372.261 4.696 30 30 FJEC Cc1nc(-c2ccccc2)sc1C(=O)C=Cc1ccccc1[N+](=O)[O-] 2265241354 QCZPUUPRAGHGNP-UHFFFAOYSA-N 350.399 4.923 30 30 FJEC Cc1ccc(NC(=S)[C@H](C#N)C(=O)Nc2c(C)cccc2Cl)c(C)c1 1024547 ZKURRVWBJLORHR-CQSZACIVSA-N 371.893 4.783 30 30 FJEC C=C1CCC[C@@H]2[C@@](C)(CC3=C(O)C(=O)C=C(OC)C3=O)[C@H](C)CC[C@@]12C 43606368 JJWITJNSXCXULM-ZKZNVZPYSA-N 358.478 4.670 30 30 FJEC CCCCCCCC(CCCC)(CCCC)OC(=O)[C@@H](O)CC(=O)O 100287322 HCLVXVIAGDXHTL-KRWDZBQOSA-N 358.519 4.845 30 30 FJEC CON=Cc1ccc(SCc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 254304103 SPGDRBBBGWDQOD-UHFFFAOYSA-N 370.352 4.886 30 30 FJEC N/C(Cc1csc2ccc(Cl)cc12)=N\OC(=O)Nc1ccccc1 4365558 XYZNSRMWBKTOKS-UHFFFAOYSA-N 359.838 4.618 30 30 FJEC CN(/N=C/c1cc(Cl)cc(Cl)c1O)c1c(Cl)cccc1[N+](=O)[O-] 4322929 AVTPFCSTXKXMSO-CNHKJKLMSA-N 374.611 4.731 30 30 FJEC CCCCCCCC[C@@H]1O[C@@H]1CCCCCCCCN(CCO)CCO 149593216 CNMJQLXUVGFOML-FCHUYYIVSA-N 371.606 4.522 30 30 FJEC CCO/C(=N/c1ccc(OC(F)(F)F)cc1)SCC(=O)C(C)(C)C 4377793 HSIIXNFLKRHPCT-ZHZULCJRSA-N 363.401 4.958 30 30 FJEC Cc1nc(C(F)(F)F)ccc1C(=O)Nc1oc(-c2ccccc2)cc1C#N 1029309 PLHQXQNYPPVIMO-UHFFFAOYSA-N 371.318 4.793 30 30 FJEC CCCCCCCc1ccc(C(=O)NC(=S)Nc2ccccn2)cc1 95749397 VDOGNUVRVIFBNP-UHFFFAOYSA-N 355.507 4.721 30 30 FJEC O=c1c2cc(-c3ccccc3)sc2ncn1/N=C/c1ccccc1Cl 4335420 MTCCUMNQHMUDOW-SSDVNMTOSA-N 365.845 4.661 30 30 FJEC C/C(COc1ccc(Cl)cc1Cl)=N\OC(=O)c1cccc(C)c1 4299926 CTOQGJFSNOFMBB-UDWIEESQSA-N 352.217 4.914 30 30 FJEC C/C(=N\OC(=O)Nc1ccc(Cl)cc1)c1cc(-c2ccccc2)no1 12369795 PLAIIOBGJYAQAC-CIAFOILYSA-N 355.781 4.968 30 30 FJEC O=C(CC=NOCc1c(Cl)cccc1Cl)Oc1ccc(F)cc1 254423524 PITILSOIRMQQHL-UHFFFAOYSA-N 356.180 4.631 30 30 FJEC Cc1ccc(NC(=S)[C@@H](C#N)C(=O)Nc2c(C)cccc2Cl)c(C)c1 1024545 ZKURRVWBJLORHR-AWEZNQCLSA-N 371.893 4.783 30 30 FJEC CCOC(=O)c1cc(C#N)c(Nc2cccc(Cl)c2)nc1C(F)(F)F 3467397 CUEIYYUYVYJWIY-UHFFFAOYSA-N 369.730 4.546 30 30 FJEC C=CCSc1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n[nH]1 3119811 MFNFLSTZUFUTAP-UHFFFAOYSA-N 353.291 4.787 30 30 FJEC CCCCCCCCCCCCCC[C@@H](C(=O)OC)S(=O)(=O)O 100305442 CBFFVBXZKOWOMT-INIZCTEOSA-N 350.521 4.507 30 30 FJEC N#Cc1c(NCc2cccs2)ccc([N+](=O)[O-])c1NCc1cccs1 4306483 FXWOSFZWXHAJAD-UHFFFAOYSA-N 370.459 4.814 30 30 FJEC CSc1c(C#N)c(-c2ccc(Cl)cc2)nn1C(=O)c1cccs1 1037470 VOMQVFRJPBFIFQ-UHFFFAOYSA-N 359.863 4.547 30 30 FJEC C[Si](C)(C)C#Cc1ccc([C@]23OC[C@](C4CCCCC4)(CO2)CO3)cc1 2265357465 YJVVJOQVKMBUMF-HZCBDIJESA-N 370.565 4.670 30 30 FJEC COC(=O)c1sc(SC)c(C#N)c1-c1cccc(C(F)(F)F)c1 1037683 IPNBUCNOICVGFW-UHFFFAOYSA-N 357.378 4.814 30 30 FJEC COc1c(C(=O)O/N=C/c2c(Cl)cccc2Cl)csc1Cl 4344638 HOVCJUABAXJLFB-YAXRCOADSA-N 364.637 4.908 30 30 FJEC C/C(=N\OC(=O)c1ccc(C(F)(F)F)cc1)c1cc(-c2ccccc2)no1 4710152 SAFNUVPGUYKXRV-FSJBWODESA-N 374.318 4.941 30 30 FJEC O=C(c1cccs1)n1ccc(-c2ccc(C#Cc3ccccc3)cc2)n1 1039949 UQRSPVQEYYIICT-UHFFFAOYSA-N 354.434 4.700 30 30 FJEC C=CCn1c(CN2c3ccccc3Sc3ccccc32)n[nH]c1=S 4333616 QJVIXPJLSOIYEV-UHFFFAOYSA-N 352.488 4.930 30 30 FJEC O=[N+]([O-])c1cc(C=NO)ccc1SCc1cccc(C(F)(F)F)c1 254816314 GHWFOLLFVSELTG-UHFFFAOYSA-N 356.325 4.714 30 30 FJEC CCOC(=O)c1cc(C)ccc1/N=C/c1cc(Cl)cc(Cl)c1O 1026744 HGCNGDNICZLWKT-AWQFTUOYSA-N 352.217 4.935 30 30 FJEC CCCCCCCc1ccc(C(=O)NC(=S)NCc2ccco2)cc1 95749396 XGXOQDSJFGAIAO-UHFFFAOYSA-N 358.507 4.597 30 30 FJEC O=[N+]([O-])c1ccc(CON=C(c2ccccn2)[C@@H]2C[C@H]2c2ccccc2)cc1 2265278934 CGFJLRZHILVUBX-VQTJNVASSA-N 373.412 4.714 30 30 FJEC C=CCn1c(=S)sc2c(N/N=C/c3ccc(Cl)cc3)ncnc21 4334461 ONVBSYYNGFATHP-UFWORHAWSA-N 361.883 4.508 30 30 FJEC N#CCCN(Cc1ccncc1)C(=O)c1sc2ccccc2c1Cl 2160505 VHDPBVTWHQRYLJ-UHFFFAOYSA-N 355.850 4.506 30 30 FJEC O=C1C(=Cc2ccc(OCc3c(F)cccc3Cl)cc2)N2CCC1CC2 2265278985 OKBRADFDTTZCJB-UHFFFAOYSA-N 371.839 4.694 30 30 FJEC CCCCCCCCC[C@@H](CCCCC/C=C/C(=O)O)S(=O)(=O)O 111887840 HOBCYNPKELUPCU-MAUBAPBLSA-N 362.532 4.975 30 30 FJEC Cc1onc(-c2ccccc2)c1NC(=O)N(CCC#N)Cc1cccs1 4325259 MAJYNONPOVTNTK-UHFFFAOYSA-N 366.446 4.659 30 30 FJEC CC(C)Cc1ccc([C@H](C)C(=O)O/N=C(\N)c2cccc(Cl)c2)cc1 4390614 VXTJDYZGLRNXKO-AWEZNQCLSA-N 358.869 4.506 30 30 FJEC CN(C)/C=N\C(=S)c1sccc1CSc1ccc(Cl)cc1 35581593 ATHUYDHLYCRTKC-YVLHZVERSA-N 354.953 4.959 30 30 FJEC CCCCCCCCCCCCCC=C[C@H](O)[C@H](CO)NC(=O)CCC 2265369636 UCBLGIBMIAFISC-SFTDATJTSA-N 369.590 4.882 30 30 FJEC CCCCCCCCCC(=O)OC[C@H](O)COC(=O)CCCCCCC 111902311 AMRVOUCEFGMNBS-LJQANCHMSA-N 372.546 4.935 30 30 FJEC COc1ccc([C@H](C#N)C2CCC(C(=O)O)CC2)cc1OC1CCCC1 575449219 DQDQOCDSQNFGTG-JTTJXQCZSA-N 357.450 4.515 30 30 FJEC in-vitro CN(C)C=CC(=CC(=O)C(F)(F)F)Nc1ccccc1-c1ccccc1 2265279362 GNLHDWIQRLYGEU-UHFFFAOYSA-N 360.379 4.856 30 30 FJEC CC(C)C[C@@H]1CC(=NO)c2cc(-c3ccc(Br)cc3)nnc2C1 1082839059 FFJOSDDJTPBMON-LBPRGKRZSA-N 374.282 4.693 30 30 FJEC O=C1/C(=C2\Nc3c(Cl)cc(Cl)cc3C2=O)Nc2ccc(Cl)cc21 135981646 AGLUIPTUDICXMS-BUHFOSPRSA-N 365.603 4.775 30 30 FJEC CCN(CC)OC(=O)Nc1c(-c2c(Cl)cccc2Cl)noc1C 1042705 BYOWNTUAIVFBCK-UHFFFAOYSA-N 358.225 4.762 30 30 FJEC CC(C)Cc1ccc([C@@H](C)C(=O)O/N=C(\N)c2cccc(Cl)c2)cc1 4390613 VXTJDYZGLRNXKO-CQSZACIVSA-N 358.869 4.506 30 30 FJEC CCCCCCCC[C@@H]1O[C@H]1CCCCCCCCN(CCO)CCO 149593624 CNMJQLXUVGFOML-VXKWHMMOSA-N 371.606 4.522 30 30 FJEC CN(/N=C/c1cc(Cl)cc(Cl)c1O)c1ccc(Cl)cc1[N+](=O)[O-] 4322928 AITPOZCJGSLQHQ-CNHKJKLMSA-N 374.611 4.731 30 30 FJEC COc1nc2c(c(-c3c(F)cccc3Cl)c1C#N)Cc1ccccc1-2 2153277 ZGJKJYOQAADBAR-UHFFFAOYSA-N 350.780 4.993 30 30 FJEC FC(F)(F)c1cnc(NCCN=Cc2ccc(Cl)cc2)c(Cl)c1 2265270052 FMOVHCCDPDNVGG-UHFFFAOYSA-N 362.182 4.938 30 30 FJEC CCCCCCCCCCCCCCCC(=O)OCCS(=O)(=O)O 82017774 QKXPXFJKDHSDKF-UHFFFAOYSA-N 364.548 4.899 30 30 FJEC O=C(O/N=C/c1ccc(C#Cc2ccccc2)cc1)c1ccccc1Cl 3118975 IOIILESOBHNIBS-LFVJCYFKSA-N 359.812 4.931 30 30 FJEC CCCCCCCCCCCCCC=C[C@@H](O)[C@H](CO)NC(=O)CCC 2265369633 UCBLGIBMIAFISC-LEWJYISDSA-N 369.590 4.882 30 30 FJEC Cc1ccc(C(=O)/C(=C/N(C)C)Sc2ccc(C(F)(F)F)cn2)cc1 1047902 LQEVJFZRIUIJLX-PTNGSMBKSA-N 366.408 4.787 30 30 FJEC CON=Cc1ccc(Sc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 254378806 ZQKKRHAHLIIAMC-UHFFFAOYSA-N 356.325 4.745 30 30 FJEC FC(F)(F)C1=C(C(F)(F)F)[C@]2(C(F)(F)F)S[C@@]12C(F)(F)F 140817833 KJBUGUZZNRVQCZ-IMJSIDKUSA-N 356.131 4.770 30 30 FJEC CCCCC#Cc1ccc(-c2nnc(SCc3ccccc3)n2C)o1 3138338 JHQBTVIGIUHVLP-UHFFFAOYSA-N 351.475 4.909 30 30 FJEC O=C(C=NNc1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1 2265279489 VIRNWOJWTJZRPR-UHFFFAOYSA-N 362.138 4.688 30 30 FJEC CON=CC(=NNc1ccc(C)cc1)C(=O)c1ccc(-c2ccccc2)cc1 254835207 AMMVMICDFMIZRT-UHFFFAOYSA-N 371.440 4.945 30 30 FJEC CCc1ccc2[nH]c(C(=O)Nc3ccc(C(F)(F)F)c(C#N)c3)cc2c1 1040346 BNPHKXCNJZJPCK-UHFFFAOYSA-N 357.335 4.873 30 30 FJEC CC(C)(O)C#C[C@@H]1C=Cc2ccc3c4c(ccc1c24)[C@@H](C#CC(C)(C)O)C=C3 38526320 KHLGQJTZVKXDJO-HDICACEKSA-N 368.476 4.609 30 30 FJEC COc1ccc2nc(/N=C/c3cc(Br)ccc3O)sc2c1 1045621 HPJINTCAGIAGCE-CAOOACKPSA-N 363.236 4.524 30 30 FJEC C=C1C(=O)O[C@H]2/C=C(/C)CC/C=C(/C)[C@H](OC(C)=O)C/C=C(/C)CC[C@H]12 100078916 SEYWCNKTQOZEOO-DXHWKWCBSA-N 358.478 4.819 30 30 FJEC O=[N+]([O-])c1ccc(CON=C(c2ccccn2)[C@H]2C[C@@H]2c2ccccc2)cc1 2265278933 CGFJLRZHILVUBX-UXHICEINSA-N 373.412 4.714 30 30 FJEC CCCCCCCc1ccc(C(=O)NC(=S)Nc2cc(C)on2)cc1 63919895 MVMMGEDPXZLSQW-UHFFFAOYSA-N 359.495 4.623 30 30 FJEC CCCCCCCCCCCCCCCCCC(=O)NCCNCCO 100049051 KWTFEBYZFYIHFO-UHFFFAOYSA-N 370.622 4.946 30 30 FJEC O=C1CC[C@@H](c2ccccc2)C(=O)/C1=C/Nc1cccc(C(F)(F)F)c1 100217388 INVWKEDTYVGMLC-WLSWZUKCSA-N 359.347 4.717 30 30 FJEC Cc1ccc(NC(=O)O/N=C/c2c(C)nn(C(C)(C)C)c2C)cc1Cl 1048837 JPPNUBCWRNRWHB-KEBDBYFISA-N 362.861 4.799 30 30 FJEC COc1ccc(/C=C2\CCOc3c(C)c(C)cc(C)c3C2=O)cc1OC 34098539 FBMLEIHCLZOXIZ-GZTJUZNOSA-N 352.430 4.678 30 30 FJEC CCCCCCCCCCCCCC(=O)N(CCNCC)OC(C)=O 142046047 DMPCVHZWDRNIHS-UHFFFAOYSA-N 356.551 4.604 30 30 FJEC CCCCCCCCCCCCCC=C[C@@H](O)[C@@H](CO)NC(=O)CCC 2265369634 UCBLGIBMIAFISC-NHCUHLMSSA-N 369.590 4.882 30 30 FJEC O=[N+]([O-])c1ccc(CON=C(c2ccccn2)[C@@H]2C[C@@H]2c2ccccc2)cc1 2265278935 CGFJLRZHILVUBX-WOJBJXKFSA-N 373.412 4.714 30 30 FJEC N#CCc1ccc(NC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 1032658 NGGJHHPYNDJQGF-UHFFFAOYSA-N 357.413 4.976 30 30 FJEC O=C1CS/C(=N\c2cc(Cl)cc(Cl)c2)N1Cc1cccs1 4709084 ZJJHPJVZYVBONX-VKAVYKQESA-N 357.287 4.818 30 30 FJEC COc1ccc(/C=N/c2c(-c3ccccc3)c(C(F)(F)F)nn2C)cc1 1043722 LTUUPWUOOTZMKA-FSJBWODESA-N 359.351 4.865 30 30 FJEC O=C1c2c(ccc3ccccc23)O[C@H]1C=NOCc1ccc(Cl)cc1 2265279190 FEEXRBCETWKRDZ-SFHVURJKSA-N 351.789 4.640 30 30 FJEC CC(C)(C)c1ccc(C(=O)ONC(=O)c2ccc(Cl)c(Cl)c2)cc1 1048676 MZUWDVJZFSIUHF-UHFFFAOYSA-N 366.244 4.793 30 30 FJEC CCOc1ccc(C(=O)C=CC(=O)Nc2ccc(C(C)(C)C)cc2)cc1 2265279588 CFFXAVGODUPQPF-UHFFFAOYSA-N 351.446 4.760 30 30 FJEC Cc1c(C(=O)O/N=C(\N)c2ccc(C(C)(C)C)cc2)oc2ccccc12 4336074 ZNBWZBTZPDDMAP-UHFFFAOYSA-N 350.418 4.516 30 30 FJEC Cc1ccc(NC(=O)ON=C2C(=O)N(c3ccccc3)c3ccccc32)cc1 254616430 GARNRGPQCCZLHX-UHFFFAOYSA-N 371.396 4.626 30 30 FJEC Fc1cc2c(c(CO/N=C/c3ccc(Cl)cc3Cl)c1)OCOC2 2154585 HNPLKOAVBPXNEL-CGOBSMCZSA-N 356.180 4.550 30 30 FJEC O=C(OCC#Cc1ccc(-c2ccccn2)s1)c1ccc(Cl)cc1 3125881 YMPICUWXGOTWKI-UHFFFAOYSA-N 353.830 4.672 30 30 FJEC O/N=C(\Nc1ccc(Cl)cc1Cl)c1cnccc1C(F)(F)F 13467822 ZHGUUVIVSJIZEO-UHFFFAOYSA-N 350.127 4.655 30 30 FJEC Cn1c2c(c3ccccc31)/C(=N/OC(=O)c1ccc(Cl)cc1)CCC2 1036900 SOVGEPSLVIXXFP-CJLVFECKSA-N 352.821 4.729 30 30 FJEC COC(=O)c1sc(SC)c(C#N)c1-c1ccc(Br)s1 1037557 DAIAQGRELIUQBB-UHFFFAOYSA-N 374.306 4.619 30 30 FJEC O=C1CS/C(=N/c2c(Cl)cccc2Cl)N1CCc1ccccc1 100206414 RXEUXKJPQIYLGF-LVZFUZTISA-N 365.285 4.799 30 30 FJEC C[C@@H](C/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCc1ccccc1 4389963 DCGCTYXWSPGACJ-ONDHQXCVSA-N 356.382 4.560 30 30 FJEC O=C(/C=C(\C(=O)c1ccccc1)c1ccccc1)c1ccc2c(c1)OCCO2 4322757 XIVHZFXLBCCFQT-SILNSSARSA-N 370.404 4.607 30 30 FJEC Cc1nc(-c2ccccc2)nc(SCc2ccccc2[N+](=O)[O-])c1C#N 1030436 ZEXUJLUWMUMAOF-UHFFFAOYSA-N 362.414 4.524 30 30 FJEC C#Cc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 1046867 PUYLUUCJPIIKKB-UHFFFAOYSA-N 357.253 4.958 30 30 FJEC CCCOc1ccccc1/C=N/NC(=S)Nc1cccc(Cl)c1C 4381909 ATKGLCYMEMQGDO-UDWIEESQSA-N 361.898 4.758 30 30 FJEC CCc1cc2c(cc1-c1csc(N=C(N)N)n1)C(C)(C)CCC2(C)C 20224009 KJOMHCRTWLLBJK-UHFFFAOYSA-N 356.539 4.626 30 30 FJEC Cc1c(C(=O)O/N=C(\N)c2ccc(Cl)cc2Cl)oc2ccccc12 4336076 XHPIYABWRRJLTR-UHFFFAOYSA-N 363.200 4.525 30 30 FJEC O=C(Nc1ccccc1)ON=C1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 4363432 ADSVGKGPAPLVBG-OYRHEFFESA-N 363.461 4.808 30 30 FJEC CCCCCCCCCc1ccc(OCCOCCP(=O)(O)O)cc1 223698105 NCGNPYMFVLQHLO-UHFFFAOYSA-N 372.442 4.553 30 30 FJEC O=C(c1cccs1)n1ccc(-c2ccc(C#Cc3ccccc3)s2)n1 4362650 IYAHWROUDDDUHZ-UHFFFAOYSA-N 360.463 4.761 30 30 FJEC Fc1c(F)c(F)c(Oc2c(F)c(F)c(F)c(F)c2F)c(F)c1F 33353205 QJHMHZVVRVXKOY-UHFFFAOYSA-N 350.111 4.870 30 30 FJEC O=[N+]([O-])c1cc(/C=N/Nc2ccc(Br)c(Cl)c2)cs1 4323481 PKUQKRHBPUYYAW-LHHJGKSTSA-N 360.620 4.518 30 30 FJEC Cc1onc(-c2ccccc2Cl)c1C(=O)N(CCC#N)C1CCCCC1 4323729 FXLJLIPPWYGBTP-UHFFFAOYSA-N 371.868 4.992 30 30 FJEC CCCCCCCCCCCC(=O)Oc1ccccc1S(=O)(=O)O 112982222 ZDKYIHHSXJTDKX-UHFFFAOYSA-N 356.484 4.760 30 30 FJEC COc1c(C(=O)O/N=C/c2ccc(Cl)cc2Cl)csc1Cl 3126558 FNBXBMCIUWMPHA-YAXRCOADSA-N 364.637 4.908 30 30 FJEC N#Cc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)C(F)(F)F)cc1 1036337 ICTMJDIQYPCTAY-UHFFFAOYSA-N 374.240 4.870 30 30 FJEC Cc1ccc(CON=CCC(=O)c2cnc(-c3ccccc3)s2)cc1 254399619 XEWMASWHYPCTJH-UHFFFAOYSA-N 350.443 4.894 30 30 FJEC CCCCCCCCCC(=O)OC[C@@H](O)COC(=O)CCCCCCC 60258295 AMRVOUCEFGMNBS-IBGZPJMESA-N 372.546 4.935 30 30 FJEC CC(=O)C(=NNc1ccccc1Oc1ccc(Cl)cc1Cl)C(C)=O 1048944 UIMBVJPGYPHMML-UHFFFAOYSA-N 365.216 4.732 30 30 FJEC C=C[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C 8700464 QGOBLSJGEMJRKQ-LJQANCHMSA-N 353.462 4.887 30 30 FJEC Oc1c(Br)cc(Br)cc1C=Nc1ccc(F)cc1 254608550 QUZHQTXSURKZSX-UHFFFAOYSA-N 373.019 4.807 30 30 FJEC O=[N+]([O-])c1ccc(CON=C(c2ccccn2)[C@H]2C[C@H]2c2ccccc2)cc1 2265278932 CGFJLRZHILVUBX-PMACEKPBSA-N 373.412 4.714 30 30 FJEC O=C1CC(c2cccs2)CC(=O)C1=CNc1cccc(C(F)(F)F)c1 1038478 BPOXUTDJFJFFAU-UHFFFAOYSA-N 365.376 4.779 30 30 FJEC N#Cc1c(-c2ccc(Cl)cc2)c2c([nH]c1=O)-c1ccccc1SC2 1035699 NJDZQHHWGFAOPP-UHFFFAOYSA-N 350.830 4.840 30 30 FJEC C/C(=N\c1nnc(Sc2nc3cc(Cl)ccc3s2)s1)N(C)C 12339276 DLFUJPHTAPYSTL-VIZOYTHASA-N 369.928 4.564 30 30 FJEC CC(C)C[C@H]1CC(=NO)c2cc(-c3ccc(Br)cc3)nnc2C1 1082839058 FFJOSDDJTPBMON-GFCCVEGCSA-N 374.282 4.693 30 30 FJEC N#CCCNc1ccc(/N=N/c2nc3ccc([N+](=O)[O-])cc3s2)cc1 111881317 ZVXMPDZUGAZYOP-QZQOTICOSA-N 352.379 4.945 30 30 FJEC CCN(CCC#N)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2C#N)c(C)c1 38636054 FZBZYULVSAHGAU-GHVJWSGMSA-N 362.393 4.930 30 30 FJEC COc1cc(Br)cc(C=Nc2cccc(C(F)(F)F)c2)c1O 254286934 ABXMVSRKEJYYIC-UHFFFAOYSA-N 374.156 4.933 30 30 FJEC CCC[C@@H]1CC(=NOC)c2cc(-c3ccc(Br)cc3)nnc2C1 1082838541 FODLNCWXFGFHKI-LBPRGKRZSA-N 374.282 4.619 30 30 FJEC Cc1c(/N=N/c2cccc(C(F)(F)F)c2)c(O)n(C(C)C)c(=O)c1C#N 39871475 ZCEZNERYOZCQJH-GHVJWSGMSA-N 364.327 4.749 30 30 FJEC CC(=NOC(=O)NC1CCCCC1)c1sc(-c2ccccc2)nc1C 254479483 PRAAACRCFKRFIE-UHFFFAOYSA-N 357.479 4.901 30 30 FJEC CCCCCCCC(CCCC)(CCCC)OC(=O)[C@H](O)CC(=O)O 100287319 HCLVXVIAGDXHTL-QGZVFWFLSA-N 358.519 4.845 30 30 FJEC FC(F)(F)c1cc(C(F)(F)F)c2ccc(NN=Cc3ccco3)nc2n1 254310337 QYJAYIYGPYRRKV-UHFFFAOYSA-N 374.244 4.706 30 30 FJEC CON=Cc1c(Sc2cccc(C(F)(F)F)c2)nc2sccn12 254397961 FZYNNQVJNYBWIK-UHFFFAOYSA-N 357.382 4.546 30 30 FJEC S=C(N/N=C/c1ccccc1Cl)Nc1cc(Cl)ccc1Cl 1041715 SUARCISIKLZPDZ-QGMBQPNBSA-N 358.681 4.967 30 30 FJEC CCN(CCC#N)C(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 4344515 REYSZSQVYXXSKT-UHFFFAOYSA-N 369.334 4.657 30 30 FJEC CCON=C1C[C@@H](C)Cc2nnc(-c3ccc(Cl)cc3Cl)cc21 1082838155 XITFJVYFZSBAKO-JTQLQIEISA-N 350.249 4.773 30 30 FJEC CON=CC(=CNc1ccccc1)c1ncc(C(F)(F)F)cc1Cl 2265276494 NQYYKKRGIVBYIF-UHFFFAOYSA-N 355.747 4.839 30 30 FJEC CON=CC(=CNc1ccc(F)cc1)c1ncc(C(F)(F)F)cc1Cl 2265276470 DWUPOIBUTNBANW-UHFFFAOYSA-N 373.737 4.978 30 30 FJEC CSc1sc(C(=O)NCC2CC2)c(-c2ccc(Cl)cc2)c1C#N 36048332 IKSKPVSEENHRBG-UHFFFAOYSA-N 362.907 4.802 30 30 FJEC COc1ccc(Sc2nc(C)c(-c3csc(C)n3)cc2C#N)cc1 1046984 MOLWALSXGZRPLQ-UHFFFAOYSA-N 353.472 4.853 30 30 FJEC COc1cccc(/C=N/c2ccccc2C(=O)Nc2ccc(F)cc2)c1O 1026678 CTEXPEUGYAZROZ-YDZHTSKRSA-N 364.376 4.543 30 30 FJEC Cc1c(S(=O)(=O)Nc2ccc(C#N)cc2)sc2ccc(Cl)cc12 1040614 ACIIVRWCPVRDFJ-UHFFFAOYSA-N 362.863 4.536 30 30 FJEC CCCCCCCC[C@H]1O[C@@H]1CCCCCCCCN(CCO)CCO 149593417 CNMJQLXUVGFOML-FGZHOGPDSA-N 371.606 4.522 30 30 FJEC O=C1CC[C@H](c2ccccc2)C(=O)/C1=C/Nc1cccc(C(F)(F)F)c1 100217394 INVWKEDTYVGMLC-QRYYFKOISA-N 359.347 4.717 30 30 FJEC CCCCCCCCCCCCCC(=O)N[C@@H](CC)OP(=O)(O)O 219484273 XQHYWLYGEIQXOF-QGZVFWFLSA-N 365.451 4.649 30 30 FJEC CCCCCCCC(=O)OCc1ccc(I)cc1 1843691 SVYNEJFXKXPMLE-UHFFFAOYSA-N 360.235 4.695 30 30 FJEC Cc1c(C(=O)/C=C/N(C)C)sc(=S)n1CCc1ccc(Cl)cc1 1023979 JQRGDVWMMHARPW-MDZDMXLPSA-N 366.939 4.742 30 30 FJEC O=C(O/N=C/c1ccccc1OC(F)(F)F)c1c(F)cccc1Cl 2153721 PSVMCKMXZOEUAC-ODCIPOBUSA-N 361.678 4.569 30 30 FJEC CCCCCCCCCCCCCC=C[C@H](O)[C@@H](CO)NC(=O)CCC 2265369635 UCBLGIBMIAFISC-RTWAWAEBSA-N 369.590 4.882 30 30 FJEC CCCCCCCCCCCCCC[C@H](C(=O)OC)S(=O)(=O)O 100305445 CBFFVBXZKOWOMT-MRXNPFEDSA-N 350.521 4.507 30 30 FJEC Clc1ccccc1CSc1nccc(/C=N\Nc2ccccc2)n1 13469648 CJCSENGEDLJLLF-MTJSOVHGSA-N 354.866 4.868 30 30 FJEC CCc1cc(N2C(=O)C(O)=C(C(C)=O)[C@@H]2C2CCCCC2)ccc1Cl 34282029 WYBQTLXGYGOSML-SFHVURJKSA-N 361.869 4.599 30 30 FJEC CCCCCCCCCCCCCCC/C=C/C(=O)NCCNCCO 100050675 UJAJTVMCLPKTRI-WUKNDPDISA-N 368.606 4.722 30 30 FJEC CCCCCCCCC[C@H](CCCCC/C=C/C(=O)O)S(=O)(=O)O 111887846 HOBCYNPKELUPCU-HJUDDPQBSA-N 362.532 4.975 30 30 FJEC FC(F)(F)c1nc(NN=Cc2ccc(Cl)cc2)c2ccccc2n1 254836794 SVRVFUNDQIWCLS-UHFFFAOYSA-N 350.731 4.748 30 30 FJEC C/C(COc1ccc(Cl)cc1Cl)=N\OC(=O)c1c(F)cccc1F 1036333 NCYJHTJCHJIRKC-ZVBGSRNCSA-N 374.170 4.883 30 30 FJEC N/C(CCSc1ccc(Cl)cc1)=N\OC(=O)c1ccc(Cl)cc1 4389472 VDNINFWNQUQRJF-UHFFFAOYSA-N 369.273 4.605 30 30 FJEC CCCCCCCCCCCCCC(=O)N[C@H](CC)OP(=O)(O)O 219484348 XQHYWLYGEIQXOF-KRWDZBQOSA-N 365.451 4.649 30 30 FJEC COc1cc(C=Nc2nc(-c3ccccc3)cs2)cc(OC)c1OC 255975305 GWIZOKPEHRPQPH-UHFFFAOYSA-N 354.431 4.587 30 30 FJEC S=C(N/N=C/c1ccccc1Cl)Nc1cccc(Cl)c1Cl 1041798 DRQPJTGBUPUPFS-QGMBQPNBSA-N 358.681 4.967 30 30 FJEC FC(F)(F)C1=C(C(F)(F)F)[C@]2(C(F)(F)F)S[C@]12C(F)(F)F 140817639 KJBUGUZZNRVQCZ-ZXZARUISSA-N 356.131 4.770 30 30 FJEC Cc1cc(C)cc(NC(=S)N/N=C/c2cc(Cl)cc(Cl)c2O)c1 1045284 IDBYTQNGFTWGCO-UFWORHAWSA-N 368.289 4.636 30 30 FJEC CC(C)(O)C#C[C@@H]1C=Cc2ccc3c4c(ccc1c24)[C@H](C#CC(C)(C)O)C=C3 38526318 KHLGQJTZVKXDJO-ROUUACIJSA-N 368.476 4.609 30 30 FJEC O=C1c2c(ccc3ccccc23)O[C@@H]1C=NOCc1ccc(Cl)cc1 2265279189 FEEXRBCETWKRDZ-GOSISDBHSA-N 351.789 4.640 30 30 FJEC C#CCSc1nccc(-c2cc(-c3ccc(Cl)cc3Cl)no2)n1 2143862 CGFUTNVSNIPIIM-UHFFFAOYSA-N 362.241 4.831 30 30 FJEC CCCCCCCC[C@H]1O[C@H]1CCCCCCCCN(CCO)CCO 149593787 CNMJQLXUVGFOML-YADHBBJMSA-N 371.606 4.522 30 30 FJEC Cc1ccccc1NC(=O)ON=C1C(=O)N(c2ccccc2)c2ccccc21 254397839 JAZXSGDFRCLAAT-UHFFFAOYSA-N 371.396 4.626 30 30 FJEC CC(=NOC(=O)c1ccc(F)cc1)c1sc(-c2ccccc2)nc1C 254878041 TVADFMSOCYRRNB-UHFFFAOYSA-N 354.406 4.839 30 30 FJEC CCOC(=O)c1cc(C#N)c(Sc2ccc(C)cc2)nc1C(F)(F)F 3046192 KTEWVXDTPFTPBX-UHFFFAOYSA-N 366.364 4.608 30 30 FJEC CCCCCCCCCCCCCCCCCC(=O)N(CCN)CCN 100051795 GXMVXAAQVWCSRQ-UHFFFAOYSA-N 369.638 4.994 30 30 FJEC N#CCC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 22056785 MYTIELGBBUTMMA-DEOSSOPVSA-N 368.480 4.783 30 30 FJEC in-vitro CCCCCCCCCCOS(=O)(=O)c1cc(OC)ccc1OC 95660898 YKYSPHKFFYUMBO-UHFFFAOYSA-N 358.500 4.550 30 30 FJEC CCCCCCCCCCCCCCCCCC(=O)NCCNCCN 100049477 BAFIQDJKGKANJI-UHFFFAOYSA-N 369.638 4.912 30 30 FJEC O=C(ON=C(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(F)cc1 2163175 YQDOCIGOVWLRKC-UHFFFAOYSA-N 355.315 4.713 30 30 FJEC O=C(ON=C1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1)c1ccc(F)cc1 1039882 AZJQZTPXXRHFNF-OYRHEFFESA-N 366.436 4.556 30 30 FJEC COc1ccc([C@@H](C#N)C2CCC(C(=O)O)CC2)cc1OC1CCCC1 575449218 DQDQOCDSQNFGTG-JMLCCBQJSA-N 357.450 4.515 30 30 FJEC in-vitro N/C(Cc1cccc2ccccc12)=N\OC(=O)Nc1ccc(Cl)cc1 4392985 CTLVDWUPHLNSCJ-UHFFFAOYSA-N 353.809 4.557 30 30 FJEC CC(C)Cc1ccc([C@H](C)C(=O)O/N=C(\N)c2ccc(Cl)cc2)cc1 4390537 GSIZAZSGCDNUET-AWEZNQCLSA-N 358.869 4.506 30 30 FJEC CCCCCCCCCCCCCCCCOC(=O)CS(=O)(=O)O 100127781 YYRBJXOSDFMWTC-UHFFFAOYSA-N 364.548 4.899 30 30 FJEC [N-]=[N+]=Nc1cccc2c1C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21 141042176 OJZZBMSTESSSJH-UHFFFAOYSA-N 373.324 4.608 30 30 FJEC O=C(Nc1ccccc1)ON=Cc1c(-c2ccccc2)nc2sccn12 254809114 WYQDIFZPLWFHMA-UHFFFAOYSA-N 362.414 4.645 30 30 FJEC CCCCCCCC/C=C\CCCCCCCC(=O)NCCNCCO 100049589 NCMWZIWWCKZTJY-KTKRTIGZSA-N 368.606 4.722 30 30 FJEC in-vitro O=C(O/N=C/c1ccc(C#Cc2ccccc2)cc1)c1ccc(Cl)cc1 3118973 MURBAEZAKYOBCB-LFVJCYFKSA-N 359.812 4.931 30 30 FJEC CSc1sc(C#N)c(C)c1-c1ccn(C(=O)c2ccc(Cl)cc2)n1 1038033 ANKCTVYSWSAGLN-UHFFFAOYSA-N 373.890 4.856 30 30 FJEC CCc1nc2ccccc2nc1N(C)/N=C/c1ccc(Cl)cc1Cl 4365192 WULITELKZYPVTO-SRZZPIQSSA-N 359.260 4.969 30 30 FJEC C[C@H](C/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCc1ccccc1 4389961 DCGCTYXWSPGACJ-BXUJETTOSA-N 356.382 4.560 30 30 FJEC CS/C(=N\C(=O)c1c(Cl)cccc1Cl)NCc1cccs1 4323861 OFJSMNIVOARHSW-UHFFFAOYSA-N 359.303 4.704 30 30 FJEC FC(F)(F)C1=C(C(F)(F)F)[C@@]2(C(F)(F)F)S[C@]12C(F)(F)F 140817451 KJBUGUZZNRVQCZ-QWWZWVQMSA-N 356.131 4.770 30 30 FJEC CC(=O)c1ccc(C#CCOC(=O)Nc2cc(Cl)cc(Cl)c2)s1 3137746 GPICATGOBFMIRA-UHFFFAOYSA-N 368.241 4.858 30 30 FJEC N#CC1(c2ccc(Br)cc2)CCN(Cc2ccccc2)CC1 95616907 LYAMUTOSGBWHBG-UHFFFAOYSA-N 355.279 4.506 30 30 FJEC CN1N=C(c2ccccc2)CS/C1=N\c1ccc(OC(F)(F)F)cc1 4389049 XIPNTUUQQAMEQL-PGMHBOJBSA-N 365.380 4.656 30 30 FJEC N#Cc1cc(-c2ccccc2)c(-c2ccc(Br)cc2)nc1O 607716799 XWXLJVISNYXXLS-UHFFFAOYSA-N 351.203 4.755 30 30 FJEC O=C(/C(=C/c1ccccc1)[N+](=O)[O-])c1ccccc1OCc1ccccc1 4371166 YCACQXHKQXEQDT-HKWRFOASSA-N 359.381 4.766 30 30 FJEC CC(C)Cc1ccc([C@@H](C)C(=O)O/N=C(\N)c2ccc(Cl)cc2)cc1 4390536 GSIZAZSGCDNUET-CQSZACIVSA-N 358.869 4.506 30 30 FJEC CCOC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 38307427 GZVRHIZTGYTPRD-GRPBBMKTSA-N 360.494 4.916 30 30 FJEC O=C(Oc1cccc(C(F)(F)F)c1)c1cncc(C#Cc2ccccc2)c1 3127643 HAACQIXNWVHQOL-UHFFFAOYSA-N 367.326 4.719 30 30 FJEC