smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CN(CCNC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccccc1 218317158 WPHMZCFDMOVVDH-UHFFFAOYSA-N 359.429 3.053 70 40 FGIB Cn1nc(CN(Cc2ccco2)C(=O)Cc2cccs2)c2c1CCC2 217903326 POEBDEWLFGJVCE-UHFFFAOYSA-N 355.463 3.335 70 40 FGIB O=C(NCc1ccc(S(=O)(=O)Cl)s1)c1ccc(Cl)cc1 95708124 HWAXMFYECKQLDX-UHFFFAOYSA-N 350.248 3.259 70 40 FGIB COc1ccc(O[C@@H](C)C(=O)N(C)Cc2nc(-c3cccs3)no2)cc1 218753937 FPKRXPFYUMDIDH-LBPRGKRZSA-N 373.434 3.233 70 40 FGIB Cn1cccc1[C@@H](O)CCNC(=O)C(C)(C)Oc1ccc(Cl)cc1 217937065 ROILKIHKEMBLSZ-INIZCTEOSA-N 350.846 3.076 70 40 FGIB COc1ccc(-c2noc(CNC(=S)Nc3ccccc3)n2)c(OC)c1 217937922 MHPFRFUCSOYMSP-UHFFFAOYSA-N 370.434 3.240 70 40 FGIB COc1ccccc1N1CCO[C@@H]1c1cn(Cc2ccccc2C)nn1 216762452 HXXKXIFEZWMYGE-HXUWFJFHSA-N 350.422 3.179 70 40 FGIB Cc1cc(NC(=O)Oc2ccc([N+](=O)[O-])cc2)ccc1S(=O)(=O)F 104169010 WCNGQGCPQDVFPF-UHFFFAOYSA-N 354.315 3.172 70 40 FGIB O=C(c1cccnc1)N1CCC[C@@H](c2nnc(-c3ccccc3F)o2)C1 216645664 XLRKOGVNPJTBKF-CQSZACIVSA-N 352.369 3.291 70 40 FGIB COc1cc(OC)cc(-c2nn3c(Cc4ccccc4)nnc3s2)c1 216757005 PODFLHGQAWXWTC-UHFFFAOYSA-N 352.419 3.461 70 40 FGIB COc1ccccc1-c1nnc([C@H]2CCCN(C(=O)c3cccnc3)C2)o1 216652419 HKDBZTSCJAYWMP-HNNXBMFYSA-N 364.405 3.160 70 40 FGIB COc1ccc(CC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1 217020414 ZDKOFTUUDTUQPT-UHFFFAOYSA-N 354.450 3.349 70 40 FGIB C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(=O)(=O)F)cc1 104170290 KLSCCVCDMSMEBD-ZHACJKMWSA-N 364.354 3.295 70 40 FGIB Cc1nnsc1C(=O)NCCn1nc(-c2ccsc2)cc1C1CC1 217878402 REYKDTBWYUXVQE-UHFFFAOYSA-N 359.480 3.079 70 40 FGIB COc1cccc(-c2noc(CNC(=O)/C=C/c3ccc(F)cc3)n2)c1 217914721 TUTMVZBLMXJXDG-JXMROGBWSA-N 353.353 3.214 70 40 FGIB O=C(NCc1cncc(-c2ccsc2)c1)c1cnn(-c2ccccc2)n1 217691046 HOGUNLHGIZTDBW-UHFFFAOYSA-N 361.430 3.321 70 40 FGIB CCN(CC)C(=O)c1cc(C)c2c(c1)-c1ccccc1S(=O)(=O)N2C 216891706 RAOOMSQLIRGOHH-UHFFFAOYSA-N 358.463 3.283 70 40 FGIB CCC[C@@H](C)NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C 216891144 MBRJPALGQYBWOF-CYBMUJFWSA-N 358.463 3.411 70 40 FGIB C[C@@H](C(=O)NC1CCCCCCC1)N(c1ccc(F)cc1)S(C)(=O)=O 218455450 HTYRSILOEDSVIH-AWEZNQCLSA-N 370.490 3.209 70 40 FGIB CSc1ccccc1NC(=O)c1cn(C[C@@H](O)c2ccccc2F)nn1 217472763 TXWRGHGOWHTOQD-MRXNPFEDSA-N 372.425 3.125 70 40 FGIB COc1ccc(/C=C/C(=O)NCc2nc(-c3cccc(OC)c3)no2)cc1 217920804 QPNXJYOEJLWMFS-DHZHZOJOSA-N 365.389 3.083 70 40 FGIB C[C@@H](NC(=O)c1ccccc1NC(=O)[C@H]1CCCN(C)C1)c1ccccc1 216908226 IGFLEPVWCPSTCO-AEFFLSMTSA-N 365.477 3.458 70 40 FGIB COc1ccc(OC[C@H](C)NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 217923366 RHJAFNOEPMZWQK-MFMIUCCHSA-N 371.433 3.309 70 40 FGIB COc1ccccc1-c1nnc([C@@H]2CCCN(C(=O)c3cccnc3)C2)o1 216652374 HKDBZTSCJAYWMP-OAHLLOKOSA-N 364.405 3.160 70 40 FGIB O=C(NC[C@@H](O)c1ccc2c(c1)CCO2)c1ccccc1SC(F)F 217583823 LDVMQTBHBNZIQJ-CQSZACIVSA-N 365.401 3.400 70 40 FGIB COc1ccc(OCC(=O)NCc2ccc(OC(C)C)c(OC)c2)cc1 217839038 WJTXCBGDNWBVTG-UHFFFAOYSA-N 359.422 3.186 70 40 FGIB Cc1cccc(CN2CCC(C(=O)NCCC3CCN(C)CC3)CC2)c1 217029653 VIKVNFBBUVCLRE-UHFFFAOYSA-N 357.542 3.055 70 40 FGIB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCc1nc(-c2ccccc2)no1 218759515 ZHKWUMCATLQDBE-KRWDZBQOSA-N 367.405 3.219 70 40 FGIB COC(=O)CS[C@H]1CCN(C(=O)C2(c3cccs3)CCCC2)C1 217557156 RDXZBKKZLFUTCT-ZDUSSCGKSA-N 353.509 3.067 70 40 FGIB Cc1ccc([C@@H](C)NC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1C 218343503 OOVBGGVRQXSMRL-OAHLLOKOSA-N 360.479 3.190 70 40 FGIB COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)c1nc2ccccc2s1 218007866 BKDLPTROGFMDEY-HXUWFJFHSA-N 368.458 3.259 70 40 FGIB CN1C(=O)c2ccccc2N(C)[C@@H]1c1cn(Cc2ccc(Cl)cc2)nn1 216757389 VQTPISWIAXCRPL-SFHVURJKSA-N 367.840 3.200 70 40 FGIB C[C@](O)(CNC(=O)c1noc2c1CCCC2)c1cc2ccccc2s1 217509690 MYSXDUOWZNBCHE-IBGZPJMESA-N 356.447 3.406 70 40 FGIB C[C@H]1CCCN(Cc2ccc(C(=O)NCCC3CCN(C)CC3)cc2)C1 217017390 PTUAQCQMQRPOCA-SFHVURJKSA-N 357.542 3.380 70 40 FGIB CCOc1ccc(S(=O)(=O)Cl)cc1-c1noc(C(F)(F)F)n1 100004407 RDHVIFRKSNRFDI-UHFFFAOYSA-N 356.709 3.082 70 40 FGIB O=S(=O)(Cl)c1ccc2c(c1)Cc1cc(S(=O)(=O)Cl)ccc1-2 95681993 WILHVYLMKZJHOL-UHFFFAOYSA-N 363.243 3.113 70 40 FGIB COc1ccc(CN2CCO[C@@H]2c2cn(Cc3ccc(F)cc3)nn2)cc1 216778287 UTDIGKURJAXRQW-HXUWFJFHSA-N 368.412 3.005 70 40 FGIB Cc1ccccc1Cn1cc([C@H]2SCC(=O)N2Cc2ccco2)nn1 216684125 QEPFEYWASUIVTM-GOSISDBHSA-N 354.435 3.002 70 40 FGIB C[C@](O)(CNS(=O)(=O)c1ccccc1F)c1cc2ccccc2s1 217511337 XCDVOBFDAXUQAD-KRWDZBQOSA-N 365.451 3.226 70 40 FGIB CN1CCC(Oc2ccc(CNC(=O)CCc3ccccc3)cc2)CC1 216931191 VOBROVVAZGWGRF-UHFFFAOYSA-N 352.478 3.409 70 40 FGIB C/C(=C/C(=O)Nc1ccc(S(=O)(=O)F)cc1)c1ccc([N+](=O)[O-])cc1 104170279 CGZQOHFUKJJQOS-KHPPLWFESA-N 364.354 3.295 70 40 FGIB CC(C)OP(=O)(OC(C)C)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 217354283 OTTLQCWTQSERLV-LSDHHAIUSA-N 354.387 3.226 70 40 FGIB O=C(NC[C@H](O)c1ccc2c(c1)CCO2)c1ccccc1SC(F)F 217583741 LDVMQTBHBNZIQJ-AWEZNQCLSA-N 365.401 3.400 70 40 FGIB C[C@@](O)(CNC(=O)c1cc(-c2ccco2)on1)c1cc2ccccc2o1 217988395 NFQANURZIAAOPL-LJQANCHMSA-N 352.346 3.318 70 40 FGIB Cc1cc(C(=O)N2CCC[C@@H](Cc3nc(-c4ccccc4F)no3)C2)no1 217798814 SMNQLOJGHVQXEG-ZDUSSCGKSA-N 370.384 3.267 70 40 FGIB COc1ccc(CCNC(=O)NCCn2ccc(-c3ccsc3)n2)cc1 217890639 HLACPBDECRXUFH-UHFFFAOYSA-N 370.478 3.162 70 40 FGIB O=C(Cc1cccc2ccccc12)NCCn1ccnc1-c1ccccn1 217859485 BEXZFSWOABERJP-UHFFFAOYSA-N 356.429 3.457 70 40 FGIB COc1cccc(-c2noc(CN(C)C(=O)c3ccccc3OC)n2)c1 218170153 JXNWRLDVIHAVKE-UHFFFAOYSA-N 353.378 3.026 70 40 FGIB O=C1CS[C@H](c2cn(Cc3ccccc3F)nn2)N1Cc1ccccc1 216682055 GEAKBEQFIDLTPG-LJQANCHMSA-N 368.437 3.240 70 40 FGIB Cc1cc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)ccc1S(=O)(=O)F 100481899 SYWSFEUGHAWZGV-WTKPLQERSA-N 364.354 3.213 70 40 FGIB COc1ccc(O[C@H](C)C(=O)NCCCN2CCCc3ccccc32)cc1 218754334 GVYKRJOCOVVIHF-QGZVFWFLSA-N 368.477 3.422 70 40 FGIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H]1COc2ccccc2O1 218299910 DEYURRWQBYIOBG-KXBFYZLASA-N 369.417 3.254 70 40 FGIB COc1cccc(C(=O)N(C)Cc2nc(-c3cccc(OC)c3)no2)c1 217940730 SQMLMKKCJQWQCZ-UHFFFAOYSA-N 353.378 3.026 70 40 FGIB COc1ccc(CNC(=O)NCCn2ccc(-c3ccsc3)n2)cc1 217890756 ZXJHZMWRQLFUCT-UHFFFAOYSA-N 356.451 3.120 70 40 FGIB CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc3c2C(=O)NC3)s1 161140652 DFUNMLPGIOOSNG-UHFFFAOYSA-N 350.465 3.090 70 40 FGIB O=C(NCCn1ccnc1-c1ccccn1)c1ccccc1C(F)(F)F 217858645 QNPQMVSIFTYYAW-UHFFFAOYSA-N 360.339 3.394 70 40 FGIB COc1ccc(-c2noc(CNC(=O)/C=C/c3ccc(F)cc3)n2)cc1 217914833 NZAIWJLSCMDPAD-NYYWCZLTSA-N 353.353 3.214 70 40 FGIB Cc1cc(S(=O)(=O)F)ccc1NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 104169666 KUOBIMIJSOAKSX-WTKPLQERSA-N 364.354 3.213 70 40 FGIB C[C@H](C(=O)NC1CCCCCCC1)N(c1ccc(F)cc1)S(C)(=O)=O 218455530 HTYRSILOEDSVIH-CQSZACIVSA-N 370.490 3.209 70 40 FGIB O=C1CS[C@H](c2cn(Cc3ccccc3)nn2)N1Cc1ccccc1 216680736 YHHBEOZRRVENDH-LJQANCHMSA-N 350.447 3.101 70 40 FGIB C[C@](O)(CNC(=O)c1ccc(Br)o1)c1cc2ccccc2o1 217990162 FYOOKHXPVHIWPJ-INIZCTEOSA-N 364.195 3.426 70 40 FGIB O=C(NCCn1ccc(-c2ccsc2)n1)c1ccc(C(F)(F)F)nc1 217889177 BLNAUEOEIRDOAN-UHFFFAOYSA-N 366.368 3.455 70 40 FGIB O=C(Nc1cnn(CC2CCOCC2)c1)c1ccc(-n2cccc2)cc1 218196618 GXFPSJIJHWCUQP-UHFFFAOYSA-N 350.422 3.353 70 40 FGIB CN1C[C@@]2(C)CN(C(c3ccccc3)c3ccccc3)C[C@@](C)(C1)[C@H]2O 217355601 UKYMTLSOXQIYEO-WBDAEOGXSA-N 350.506 3.411 70 40 FGIB Cc1ccc(CN2CCC(C(=O)NCCC3CCN(C)CC3)CC2)cc1 217029710 ZUOZMYADVDQMKK-UHFFFAOYSA-N 357.542 3.055 70 40 FGIB COC1CCN(C2CCN(C(=O)Cc3c(F)cccc3Cl)CC2)CC1 217776725 YANQIULTVFWBPN-UHFFFAOYSA-N 368.880 3.123 70 40 FGIB Cc1ccc(S(=O)(=O)NC[C@@](C)(O)c2cc3ccccc3s2)s1 217511749 DNLLVICAYIBUCI-MRXNPFEDSA-N 367.517 3.457 70 40 FGIB Cc1ccc(Cn2cc([C@H]3SCC(=O)N3Cc3ccco3)nn2)cc1 216684344 WZWIRDQEZXSWSN-GOSISDBHSA-N 354.435 3.002 70 40 FGIB COc1cccc(-c2nnc(C3CCN(C(=O)c4cccnc4)CC3)o2)c1 216635807 JSYMTYAMKGECGN-UHFFFAOYSA-N 364.405 3.160 70 40 FGIB O=C(c1ccc(F)cc1)N1CCN(C(=O)c2nc3ccccc3s2)CC1 161341727 BULMEDVNOXCJAM-UHFFFAOYSA-N 369.421 3.034 70 40 FGIB COc1cccc(-c2noc(CNC(=O)CSc3ccc(C)cc3)n2)c1 217978865 FIVRENAJOCHVJS-UHFFFAOYSA-N 369.446 3.462 70 40 FGIB C[C@@H](NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(C)C1)c1ccccc1 216908167 IGFLEPVWCPSTCO-SJLPKXTDSA-N 365.477 3.458 70 40 FGIB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1nc(-c2cccs2)no1 218760204 OLLITHZSVDFVAZ-CQSZACIVSA-N 373.434 3.281 70 40 FGIB Cc1ccc([C@H](C)NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1C 218289218 FOUVWJOMAXAYSZ-IRXDYDNUSA-N 374.506 3.335 70 40 FGIB O=S(=O)(Cl)c1ccc(OCC(F)(F)F)cc1Br 103703135 APYABEUGMPJKGL-UHFFFAOYSA-N 353.543 3.318 70 40 FGIB COc1ccccc1N1CCO[C@H]1c1cn(Cc2ccccc2C)nn1 216762500 HXXKXIFEZWMYGE-FQEVSTJZSA-N 350.422 3.179 70 40 FGIB Cc1ccc(Cn2cc([C@@H]3SCC(=O)N3Cc3ccco3)nn2)cc1 216684298 WZWIRDQEZXSWSN-SFHVURJKSA-N 354.435 3.002 70 40 FGIB COc1cc(N)c(CC(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 217671999 YFONRSKYEAJYEO-UHFFFAOYSA-N 354.328 3.486 70 40 FGIB COc1ccc(C)cc1Nc1cc(N2CCN(C)CC2)nc(SC)n1 216852292 JLAJHEIZIYRMIC-UHFFFAOYSA-N 359.499 3.011 70 40 FGIB Cc1nc(Nc2cccc(C(F)(F)F)c2)cc(N2CCN(C)CC2)n1 216849486 NFXJQDMNOMTDBX-UHFFFAOYSA-N 351.376 3.299 70 40 FGIB O=S(=O)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 100424555 USAIUDWRPJQRTG-UHFFFAOYSA-N 352.096 3.347 70 40 FGIB COc1cccc(Cn2cc([C@@H]3OCCN3Cc3cccc(C)c3)nn2)c1 216777037 NJZLDBFDALPZHE-NRFANRHFSA-N 364.449 3.174 70 40 FGIB CCCOc1ccccc1CCCNC(=O)[C@H]1COc2ccccc2O1 218298636 ZQHWFWFQYHMWBZ-HXUWFJFHSA-N 355.434 3.364 70 40 FGIB O=C1CS[C@H](c2cn(Cc3ccc(Cl)cc3)nn2)N1Cc1ccco1 216684671 AMMDVBBBGIVBAZ-QGZVFWFLSA-N 374.853 3.347 70 40 FGIB Cc1cc(-c2ccncc2)nn1CCNC(=O)c1ccc(F)cc1Cl 217869170 PADILQOUKSTQIX-UHFFFAOYSA-N 358.804 3.476 70 40 FGIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H]1COc2ccccc2O1 218299973 DEYURRWQBYIOBG-BEFAXECRSA-N 369.417 3.254 70 40 FGIB COc1ccccc1N1CCO[C@H]1c1cn(Cc2ccc(C)cc2)nn1 216762691 WDUKMXULSLCUAD-FQEVSTJZSA-N 350.422 3.179 70 40 FGIB COc1cccc(-c2nnc([C@@H]3CCCN(C(=O)c4ccco4)C3)o2)c1 216654468 AXIMWQFWECBDOP-CQSZACIVSA-N 353.378 3.358 70 40 FGIB O=C(c1nc2ccccc2s1)N1CCN(C(=O)c2ccccc2F)CC1 161028461 RCBVJQMITXVGIQ-UHFFFAOYSA-N 369.421 3.034 70 40 FGIB Cc1cc(C(=O)N2CCC[C@H](Cc3nc(-c4ccccc4F)no3)C2)no1 217798741 SMNQLOJGHVQXEG-CYBMUJFWSA-N 370.384 3.267 70 40 FGIB O=C(Nc1cnn(CC2CCOCC2)c1)c1cc(-c2ccccc2)on1 218219892 KDNQAHPESJEPNF-UHFFFAOYSA-N 352.394 3.217 70 40 FGIB COC1CCN(C2CCN(C(=O)c3ccc(-n4cccc4)cc3)CC2)CC1 217774978 LFYZIKAPUHDWEM-UHFFFAOYSA-N 367.493 3.193 70 40 FGIB COc1c(Br)cc(S(=O)(=O)Cl)cc1C(F)(F)F 103626099 RVBHVSJOUFKOJT-UHFFFAOYSA-N 353.543 3.404 70 40 FGIB O=C(NCCn1ccc(-c2ccsc2)n1)c1cc(=O)c2ccccc2o1 217886058 GFFFUTSRFGVGAI-UHFFFAOYSA-N 365.414 3.148 70 40 FGIB COc1cccc(Cn2cc([C@@H]3OCCN3c3ccc(F)cc3)nn2)c1 216771386 ZIWZUNWEOOZTNR-IBGZPJMESA-N 354.385 3.010 70 40 FGIB COc1ccccc1N1CCO[C@@H]1c1cn(Cc2ccc(C)cc2)nn1 216762644 WDUKMXULSLCUAD-HXUWFJFHSA-N 350.422 3.179 70 40 FGIB COc1ccc(Br)c(C(=O)NCC[C@@H](O)c2ccsc2)c1 217533273 YIZFUQVPMJMEPP-CQSZACIVSA-N 370.268 3.373 70 40 FGIB CCN(c1ccc(C(=O)NCCCc2ccc(C)cc2)cc1)S(C)(=O)=O 218778677 OREBSGXDCJFGFD-UHFFFAOYSA-N 374.506 3.144 70 40 FGIB CC[C@@H](NC(=O)COc1ccccc1C)c1ccc(S(C)(=O)=O)cc1 217828607 DDALBEMKXWNWPM-QGZVFWFLSA-N 361.463 3.045 70 40 FGIB CC1(C)Cc2cccc(OCC(=O)NCC[C@H](O)c3ccsc3)c2O1 217532814 AJSWUHPAJYJZJM-HNNXBMFYSA-N 361.463 3.080 70 40 FGIB O=C(NC[C@@H]1CCCN(c2nccs2)C1)c1nc2ccccc2s1 218121014 TVVQDKMBRXRVRC-LBPRGKRZSA-N 358.492 3.399 70 40 FGIB COc1ccc(OCC(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 217842620 RDIFVRZRDCPZPF-UHFFFAOYSA-N 373.796 3.094 70 40 FGIB Cc1ccc([C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)cc1C 218598249 RQVMHTSMFLEVCX-HNNXBMFYSA-N 360.479 3.474 70 40 FGIB Cc1cccc(CN2CCO[C@@H]2c2cn(Cc3ccccc3F)nn2)c1 216776249 GCCSDLVCMRPJBK-HXUWFJFHSA-N 352.413 3.305 70 40 FGIB COc1ccc(/C=C/C(=O)NCc2ccccc2-n2ccnc2)cc1OC 161418006 PVECUKCONMRTMS-CSKARUKUSA-N 363.417 3.219 70 40 FGIB O=C(Cn1c(=O)oc2ccccc21)NCc1cncc(-c2ccsc2)c1 217690811 HUHGLJIKNHWNBN-UHFFFAOYSA-N 365.414 3.034 70 40 FGIB O=C(NC(=O)c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)F)cc1F 95671368 VODPVCKMGSNXMO-UHFFFAOYSA-N 374.752 3.099 70 40 FGIB O=C1CS[C@@H](c2cn(Cc3ccccc3F)nn2)N1Cc1ccccc1 216682011 GEAKBEQFIDLTPG-IBGZPJMESA-N 368.437 3.240 70 40 FGIB COC(=O)c1ccc(C(=O)NC[C@@](C)(O)c2cc3ccccc3s2)cc1 217502450 SZHCBTLTWCNSLY-HXUWFJFHSA-N 369.442 3.325 70 40 FGIB COc1cccc(-c2noc(CNC(=O)CSCc3ccccc3)n2)c1 218011985 QPHXIADHWBKXNZ-UHFFFAOYSA-N 369.446 3.295 70 40 FGIB CC[C@H](NC(=O)COc1ccccc1C)c1ccc(S(C)(=O)=O)cc1 217828707 DDALBEMKXWNWPM-KRWDZBQOSA-N 361.463 3.045 70 40 FGIB Cc1ccc(C)c(C(=O)CCC(=O)N2CCOC[C@@H]2[C@@H]2CCCCC2=O)c1 160649670 WHBJCTIQQLFCBY-PKOBYXMFSA-N 371.477 3.253 70 40 FGIB C[C@H](NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(C)C1)c1ccccc1 216908195 IGFLEPVWCPSTCO-FUHWJXTLSA-N 365.477 3.458 70 40 FGIB CN(Cc1nc(-c2cccs2)no1)C(=O)/C=C/c1ccc2c(c1)OCO2 217933691 MEQZADZNVCYQDP-FNORWQNLSA-N 369.402 3.199 70 40 FGIB COc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Oc2ccc(OC)cc2)cc1 218749524 PISRALKOGFDGSS-CABCVRRESA-N 359.422 3.055 70 40 FGIB C[C@@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1nc(-c2cccs2)no1 218707455 YIKFNHDOXJTZIM-LLVKDONJSA-N 361.398 3.363 70 40 FGIB COc1ccc(/C=C(/C(=O)NC2CCN(C)CC2)c2ccccc2)cc1 216929737 GMRPSTOKBZNWFW-LTGZKZEYSA-N 350.462 3.446 70 40 FGIB CCOc1ccc(CCCNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 218127621 ZOZLLKYBPVCZAD-UHFFFAOYSA-N 373.449 3.474 70 40 FGIB O=C(NCCn1ccnc1-c1cccnc1)c1cccc(C(F)(F)F)c1 217866933 XTGFVQLTPRBRHI-UHFFFAOYSA-N 360.339 3.394 70 40 FGIB CC[C@@H](NC(=O)COc1ccc(OC)cc1)c1ccc(OC)c(OC)c1 217842053 MVAYWEAAOHZVRY-QGZVFWFLSA-N 359.422 3.359 70 40 FGIB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1C 218289063 FOUVWJOMAXAYSZ-IAGOWNOFSA-N 374.506 3.335 70 40 FGIB C[C@](O)(CNC(=O)COc1ccc(Cl)cc1)c1cc2ccccc2o1 217989618 OJKZPRDCOSFOBL-IBGZPJMESA-N 359.809 3.489 70 40 FGIB COc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1COc3ccccc3O1)CC(C)(C)O2 218299687 YYTNYQWWKXMQSB-KXBFYZLASA-N 369.417 3.254 70 40 FGIB COc1ccc(S(=O)(=O)F)cc1NC(=O)COc1cccc(Cl)c1 104170525 BFYHTATVABGCOU-UHFFFAOYSA-N 373.789 3.024 70 40 FGIB CO[C@H](CNC(=O)C(=O)NCCC1=CCCCC1)c1ccccc1Cl 218346316 NRBHSKMEYPFCIP-QGZVFWFLSA-N 364.873 3.150 70 40 FGIB CC[C@@H](NC(=O)[C@H]1COc2ccccc2O1)c1ccc(OC)c(OC)c1 218300265 GAIRMGPFOQMKNX-AUUYWEPGSA-N 357.406 3.111 70 40 FGIB Cc1ccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)F 104169687 PGBQRQUNCIHNGQ-UITAMQMPSA-N 364.354 3.213 70 40 FGIB Cc1cccc(CS(=O)(=O)Nc2ccc(OC3CCN(C)CC3)cc2)c1 216947794 IQQAVWFNYGJNDX-UHFFFAOYSA-N 374.506 3.410 70 40 FGIB O=C(NCCn1ccc(-c2ccsc2)n1)c1ccc2nsnc2c1 217887831 JVKHQLYNCAFGHD-UHFFFAOYSA-N 355.448 3.046 70 40 FGIB COc1ccc(S(=O)(=O)Cl)cc1CNC(=O)c1cccc(Cl)c1 100027170 FMMXWKRMOMPDEY-UHFFFAOYSA-N 374.245 3.206 70 40 FGIB COc1ccc2c(c1)[C@H](NC(=O)[C@H]1COc3ccccc3O1)CC(C)(C)O2 218299849 YYTNYQWWKXMQSB-DNVCBOLYSA-N 369.417 3.254 70 40 FGIB Cc1ccc([C@@H](C)NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1C 218336793 MDOQRBCKNMWSBI-OAHLLOKOSA-N 360.479 3.190 70 40 FGIB Cc1ccc(C)c(C(=O)CCC(=O)N2CCOC[C@@H]2[C@H]2CCCCC2=O)c1 160649932 WHBJCTIQQLFCBY-IEBWSBKVSA-N 371.477 3.253 70 40 FGIB O=C(NCC[C@@H](O)C1CCOCC1)NC(c1ccccc1)c1ccccc1 217931042 CCYFLWNJZJJNEV-HXUWFJFHSA-N 368.477 3.253 70 40 FGIB Cc1c(C(=O)Nc2cnn(CC3CCOCC3)c2)cnn1-c1ccccc1 218202016 DTJCJNXASAZKJR-UHFFFAOYSA-N 365.437 3.056 70 40 FGIB COc1ccc(CN2CCO[C@@H]2c2cn(Cc3ccc(C)cc3)nn2)cc1 216777731 FPADBHQAXUCWTB-OAQYLSRUSA-N 364.449 3.174 70 40 FGIB C[C@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1nc(-c2ccccc2)no1 218706074 QSQNIXFGLPAADU-ZDUSSCGKSA-N 355.369 3.302 70 40 FGIB O=C(Nc1cnn(CC2CCOCC2)c1)c1cc(-c2ccc(F)cc2)n[nH]1 218199169 XQLWGERUMQOAII-UHFFFAOYSA-N 369.400 3.091 70 40 FGIB Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)c3ccno3)C2)n1 217825472 XIPKNEHCMIHKMN-CQSZACIVSA-N 352.394 3.128 70 40 FGIB CCC(C)(C)NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C 216891462 JULWVDMUIGSSAN-UHFFFAOYSA-N 358.463 3.411 70 40 FGIB COc1ccc(CN2CCO[C@@H]2c2cn(Cc3cccc(C)c3)nn2)cc1 216777610 VBHLOBSPFOZCGN-OAQYLSRUSA-N 364.449 3.174 70 40 FGIB COc1ccc(-c2noc(CNC(=O)CSCc3ccccc3)n2)cc1 218012103 KQMDANNVAQGBTC-UHFFFAOYSA-N 369.446 3.295 70 40 FGIB O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1ccc(N2CCOCC2)cc1 100035432 UJYQDNSLPIRXRT-UHFFFAOYSA-N 373.277 3.438 70 40 FGIB Cc1ccc([C@H](C)NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1C 218336868 MDOQRBCKNMWSBI-HNNXBMFYSA-N 360.479 3.190 70 40 FGIB O=C(NCCn1ccc(-c2ccsc2)n1)Nc1ccc2c(c1)OCO2 217890145 MDDULUVUEJFWBG-UHFFFAOYSA-N 356.407 3.162 70 40 FGIB COc1cccc(N2CCO[C@@H]2c2cn(Cc3ccc(F)cc3)nn2)c1 216765067 WKYTZVPYULXFHQ-LJQANCHMSA-N 354.385 3.010 70 40 FGIB CC[C@H](NC(=O)[C@@H]1COc2ccccc2O1)c1ccc(OC)c(OC)c1 218300234 GAIRMGPFOQMKNX-LIRRHRJNSA-N 357.406 3.111 70 40 FGIB CN1C(=O)c2ccccc2N(C)[C@H]1c1cn(Cc2ccc(Cl)cc2)nn1 216757432 VQTPISWIAXCRPL-GOSISDBHSA-N 367.840 3.200 70 40 FGIB O=C(Nc1ccc(S(=O)(=O)Cl)cc1)Nc1cccc([N+](=O)[O-])c1 95697859 UTCXCSVMIIVMID-UHFFFAOYSA-N 355.759 3.166 70 40 FGIB COc1cccc(N2CCO[C@H]2c2cn(Cc3ccccc3C)nn2)c1 216764341 WRDPYONKGPOALB-FQEVSTJZSA-N 350.422 3.179 70 40 FGIB Cc1cccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc(F)cc3)n2)c1 218704556 RZIFFYGMUYXTSY-CYBMUJFWSA-N 355.369 3.268 70 40 FGIB CCN(c1ccc(C(=O)NCCCc2cccc(C)c2)cc1)S(C)(=O)=O 218778793 LXZNIJGTAGNMPI-UHFFFAOYSA-N 374.506 3.144 70 40 FGIB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](C)COc1ccc(OC)cc1 218755723 MPXJLYZRGPWPQX-YWZLYKJASA-N 373.449 3.445 70 40 FGIB O=C1CS[C@H](c2cn(Cc3cccc(F)c3)nn2)N1Cc1ccccc1 216683663 WZQILELHUVSJGO-LJQANCHMSA-N 368.437 3.240 70 40 FGIB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H]1COc2ccccc2O1 218300044 DEYURRWQBYIOBG-HNAYVOBHSA-N 369.417 3.254 70 40 FGIB O=C(CCCc1ccc([N+](=O)[O-])cc1)Nc1cccc(S(=O)(=O)F)c1 100482524 WVJUJTVCSJAHPL-UHFFFAOYSA-N 366.370 3.214 70 40 FGIB COc1cccc(-c2nnc([C@@H]3CCCN(C(=O)c4cccnc4)C3)o2)c1 216654694 SSDPPPGQZSUQID-MRXNPFEDSA-N 364.405 3.160 70 40 FGIB COc1ccc(Cl)cc1C(=O)NCCn1nc(-c2ccncc2)cc1C 217868262 VTVLPEUETABKPH-UHFFFAOYSA-N 370.840 3.346 70 40 FGIB CCOc1ccc(CCC(=O)NCCC2CCN(C)CC2)cc1OCC 217021009 OERCRJBXVBYCOE-UHFFFAOYSA-N 362.514 3.265 70 40 FGIB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCCN(C)c1ccccc1 218761362 HUVILLRPYYUENC-HXUWFJFHSA-N 356.466 3.495 70 40 FGIB Cc1cccc(Cn2cc([C@H]3SCC(=O)N3Cc3ccccc3)nn2)c1 216680949 JNRXGTCXUVBPEW-HXUWFJFHSA-N 364.474 3.409 70 40 FGIB Cn1cccc1[C@H](O)CCNC(=O)C(C)(C)Oc1ccc(Cl)cc1 217937150 ROILKIHKEMBLSZ-MRXNPFEDSA-N 350.846 3.076 70 40 FGIB O=S(=O)(OCCCC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 1565682978 VIPOXKBWBOIGGP-UHFFFAOYSA-N 360.169 3.466 70 40 FGIB COc1cccc(Cn2cc([C@H]3OCCN3c3ccc(F)cc3)nn2)c1 216771423 ZIWZUNWEOOZTNR-LJQANCHMSA-N 354.385 3.010 70 40 FGIB CSc1cccc(Nc2cc(N3CCN(C)CC3)nc(SC)n2)c1 216852371 XCBPDLBNGVIYIY-UHFFFAOYSA-N 361.540 3.416 70 40 FGIB COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)c1c(F)cccc1Cl 218007498 VBOMTHSNGDHQID-LJQANCHMSA-N 363.816 3.442 70 40 FGIB COc1ccc(-c2noc(CNC(=O)c3cccc(Cl)c3)n2)c(OC)c1 217853970 YNJJBIGBEKJWQI-UHFFFAOYSA-N 373.796 3.337 70 40 FGIB CCc1ccccc1Cn1cc([C@@H]2SCC(=O)N2Cc2ccco2)nn1 216686071 OLYHPABLLQDMAG-IBGZPJMESA-N 368.462 3.256 70 40 FGIB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCCN(C)c1ccccc1 218761402 HUVILLRPYYUENC-FQEVSTJZSA-N 356.466 3.495 70 40 FGIB CC(C)CCNC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C 216891085 YIRCUFIJFZWZPJ-UHFFFAOYSA-N 358.463 3.268 70 40 FGIB O=C(NCc1nc(-c2cccs2)no1)c1ccc(CN2CCCC2)cc1 218611282 IIAFXKUSSQBFCI-UHFFFAOYSA-N 368.462 3.324 70 40 FGIB Cc1ccc(CS(=O)(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1 216947886 JKDNUHJFDRUHDB-UHFFFAOYSA-N 374.506 3.410 70 40 FGIB CCOc1ccccc1Nc1cc(N2CCN(C)CC2)nc(SC)n1 216852005 FNINZFOYJURRBG-UHFFFAOYSA-N 359.499 3.093 70 40 FGIB C[C@H](NC(=O)c1ccccc1NC(=O)C1CCN(C)CC1)c1ccccc1 216920425 XQVYKCBBPSUMCS-INIZCTEOSA-N 365.477 3.458 70 40 FGIB Cc1cccc(CN2CCO[C@H]2c2cn(Cc3ccc(F)cc3)nn2)c1 216776416 AJYMNTPQJWKOIG-FQEVSTJZSA-N 352.413 3.305 70 40 FGIB COc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Oc2ccc(OC)cc2)cc1 218749426 PISRALKOGFDGSS-HUUCEWRRSA-N 359.422 3.055 70 40 FGIB CC[C@H](NC(=O)COc1ccc(OC)cc1)c1ccc(OC)c(OC)c1 217842128 MVAYWEAAOHZVRY-KRWDZBQOSA-N 359.422 3.359 70 40 FGIB COc1ccccc1-c1nnc(C2CCN(C(=O)c3cccnc3)CC2)o1 216634475 HIWVTWXPYIWTSO-UHFFFAOYSA-N 364.405 3.160 70 40 FGIB Cn1cccc1[C@H](O)CCNC(=O)CCc1ccc(C(F)(F)F)cc1 217939799 RFDQQZNTDMQDRN-MRXNPFEDSA-N 354.372 3.216 70 40 FGIB CCOc1ccc(S(=O)(=O)NC[C@H]2CCCN2c2ccccc2)cc1C 217860577 DSTONLSUXGARHH-GOSISDBHSA-N 374.506 3.341 70 40 FGIB CC[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)c1ccc(OC)c(OC)c1 218300193 GAIRMGPFOQMKNX-KUHUBIRLSA-N 357.406 3.111 70 40 FGIB C[C@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1nc(-c2cccs2)no1 218707542 YIKFNHDOXJTZIM-NSHDSACASA-N 361.398 3.363 70 40 FGIB Cc1ccc(C(=O)NC(C(C)C)C(C)C)cc1S(=O)(=O)N1CCCC1 218507720 XLTSMSXVALGEAM-UHFFFAOYSA-N 366.527 3.190 70 40 FGIB Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)c3ccno3)C2)n1 217825392 XIPKNEHCMIHKMN-AWEZNQCLSA-N 352.394 3.128 70 40 FGIB CCc1ccc([C@@H]2[C@H](C(N)=S)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 218617345 WWIMIIVKZQMXGS-FGTMMUONSA-N 359.516 3.399 70 40 FGIB COc1ccc(CN2CCO[C@H]2c2cn(Cc3ccc(F)cc3)nn2)cc1 216778340 UTDIGKURJAXRQW-FQEVSTJZSA-N 368.412 3.005 70 40 FGIB O=C(c1cccnc1)N1CCC(c2nnc(-c3ccccc3F)o2)CC1 216631034 VBKSWBKTCWLVTG-UHFFFAOYSA-N 352.369 3.291 70 40 FGIB CC[C@@H](C(=O)N1CCC(Oc2cc(C)n(C)c(=O)c2)CC1)c1ccccc1 217776631 LLZGPPQJFKQRMY-HXUWFJFHSA-N 368.477 3.257 70 40 FGIB Cc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1C 218289170 FOUVWJOMAXAYSZ-SJORKVTESA-N 374.506 3.335 70 40 FGIB COc1cccc(N2CCO[C@H]2c2cn(Cc3ccc(F)cc3)nn2)c1 216765120 WKYTZVPYULXFHQ-IBGZPJMESA-N 354.385 3.010 70 40 FGIB CN1C(=O)c2ccccc2N(C)[C@@H]1c1cn(Cc2ccccc2Cl)nn1 216757159 PUBCEJXKOOMMOD-SFHVURJKSA-N 367.840 3.200 70 40 FGIB COc1ccccc1OCC(=O)NCCCN1CCCc2ccccc21 217948843 RJVIPUCYLMAYMS-UHFFFAOYSA-N 354.450 3.033 70 40 FGIB COc1cccc(N2CCO[C@H]2c2cn(Cc3ccccc3F)nn2)c1 216764999 HSQMPMAJTDIFEN-IBGZPJMESA-N 354.385 3.010 70 40 FGIB COC(=O)c1c(C)n(C(=O)c2ccc(OC)c(OC)c2)c2ccccc12 216958699 YIXIPJMZNGGXTF-UHFFFAOYSA-N 353.374 3.442 70 40 FGIB COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)c1c(F)cccc1Cl 218007411 VBOMTHSNGDHQID-IBGZPJMESA-N 363.816 3.442 70 40 FGIB COc1cc(OC)cc(C(=O)NCCCN2CCCc3ccccc32)c1 218177313 UIROMLPYQDKNBD-UHFFFAOYSA-N 354.450 3.277 70 40 FGIB O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1ccccc1N1CCOCC1 100046026 SMSUNMKSTOOWTF-UHFFFAOYSA-N 373.277 3.438 70 40 FGIB Cc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)F 104169692 PGBQRQUNCIHNGQ-WEVVVXLNSA-N 364.354 3.213 70 40 FGIB O=C(NCCOc1ccccc1Cl)c1cccc(N2CCCC2=O)c1 159447005 LJJWEXRQWANQEE-UHFFFAOYSA-N 358.825 3.276 70 40 FGIB COc1ccccc1N1CCO[C@H]1c1cn(Cc2ccc(F)cc2)nn1 216763209 BXWIFVPXWBRUFV-IBGZPJMESA-N 354.385 3.010 70 40 FGIB CCOc1ccc(Nc2cc(N3CCN(C)CC3)nc(SC)n2)cc1 216852047 LAMHLCDHTJCQPE-UHFFFAOYSA-N 359.499 3.093 70 40 FGIB COc1ccc(-c2noc(CNC(=O)CCc3ccccc3)n2)c(OC)c1 218173794 UFPIUTYILZKODU-UHFFFAOYSA-N 367.405 3.003 70 40 FGIB C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(S(=O)(=O)F)cc1 104170294 KLSCCVCDMSMEBD-KHPPLWFESA-N 364.354 3.295 70 40 FGIB COc1ccc(-c2nnc([C@@H]3CCCN(C(=O)c4cccnc4)C3)o2)cc1 216656659 NKEBRLIIPLBONL-MRXNPFEDSA-N 364.405 3.160 70 40 FGIB COC(=O)c1ccc(C(=O)NC[C@](C)(O)c2cc3ccccc3s2)cc1 217502521 SZHCBTLTWCNSLY-FQEVSTJZSA-N 369.442 3.325 70 40 FGIB O=C1CS[C@@H](c2cn(Cc3ccc(Cl)cc3)nn2)N1Cc1ccco1 216684629 AMMDVBBBGIVBAZ-KRWDZBQOSA-N 374.853 3.347 70 40 FGIB COc1ccc(OCC(=O)NCCCN2CCCc3ccccc32)cc1 217843387 YAYYDXZUFBCIKR-UHFFFAOYSA-N 354.450 3.033 70 40 FGIB CS(=O)(=O)Nc1ccccc1C(=O)NCCCc1ccc(Cl)cc1 218395628 ZPDOMSMBTINJFK-UHFFFAOYSA-N 366.870 3.074 70 40 FGIB COc1cccc(N2CCO[C@@H]2c2cn(Cc3ccccc3C)nn2)c1 216764294 WRDPYONKGPOALB-HXUWFJFHSA-N 350.422 3.179 70 40 FGIB O=C1CS[C@H](c2cn(Cc3cccc(Cl)c3)nn2)N1Cc1ccco1 216684567 OVQWTUVCWBSLKF-QGZVFWFLSA-N 374.853 3.347 70 40 FGIB COc1cc(CN[C@@]23C[C@@H]4C[C@@](C)(C[C@@](C)(C4)C2)C3)ccc1OCC(N)=O 217573929 XVNMMXMEXYVZCF-ZRCRJJIVSA-N 372.509 3.398 70 40 FGIB Cc1ccc(CN2CCO[C@@H]2c2cn(Cc3ccc(F)cc3)nn2)cc1 216774455 RJTUUWKARXHFGS-HXUWFJFHSA-N 352.413 3.305 70 40 FGIB Cc1ccccc1Cn1cc([C@@H]2SCC(=O)N2Cc2ccco2)nn1 216684078 QEPFEYWASUIVTM-SFHVURJKSA-N 354.435 3.002 70 40 FGIB COc1ccc(OC[C@@H](C)NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 217928495 GTDWYONBXAEPIL-LZTOIUFZSA-N 355.390 3.021 70 40 FGIB Cn1cc(CC(=O)N2CCC3(CC2)OC(=O)c2ccccc23)c2ccccc21 217528936 DZKFGHUQBXLSHH-UHFFFAOYSA-N 374.440 3.409 70 40 FGIB CC(C)(C)c1ccc(-c2noc([C@H]3CCCN(S(C)(=O)=O)C3)n2)cc1 216672611 RJJDUONUDVPJOS-AWEZNQCLSA-N 363.483 3.173 70 40 FGIB COc1cccc(-c2nnc([C@H]3CCCN(C(=O)c4ccco4)C3)o2)c1 216654515 AXIMWQFWECBDOP-AWEZNQCLSA-N 353.378 3.358 70 40 FGIB Cn1nc(CN(C2CCCC2)S(=O)(=O)c2cccs2)cc1C1CC1 217901317 FOEYCBIOXZGYGM-UHFFFAOYSA-N 365.524 3.493 70 40 FGIB CC[C@@H](NC(=O)/C=C/c1ccccc1OC)c1ccc(S(C)(=O)=O)cc1 217968286 CNAIVEWGQYWGSU-GPZRYRNASA-N 373.474 3.379 70 40 FGIB Cc1c(C(=O)N(C)c2ccc3c(c2)OCO3)cnn1-c1ccc(F)cc1 160217475 URELRSRWDBZTQD-UHFFFAOYSA-N 353.353 3.325 70 40 FGIB Cc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1C 218289111 FOUVWJOMAXAYSZ-DLBZAZTESA-N 374.506 3.335 70 40 FGIB C[C@@H]1CCCN(Cc2ccc(C(=O)NCCC3CCN(C)CC3)cc2)C1 217017351 PTUAQCQMQRPOCA-GOSISDBHSA-N 357.542 3.380 70 40 FGIB CC[C@@H](NC(=O)CSc1ccccc1)c1ccc(S(C)(=O)=O)cc1 217974028 FAABWURYXHBCHT-QGZVFWFLSA-N 363.504 3.450 70 40 FGIB Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1C 218588740 PULUGGNSFHFMSP-OAHLLOKOSA-N 360.479 3.474 70 40 FGIB COc1ccc(O[C@@H](C)C(=O)NCCCN2CCCc3ccccc32)cc1 218754286 GVYKRJOCOVVIHF-KRWDZBQOSA-N 368.477 3.422 70 40 FGIB O=C(CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccc2ccccc2c1 217564569 VUSBWLIAPLWTBW-OXJNMPFZSA-N 358.441 3.304 70 40 FGIB CS(=O)(=O)Nc1cccc(C(=O)NCCCc2ccc(Cl)cc2)c1 218566389 SQDLLWVVBLXSJQ-UHFFFAOYSA-N 366.870 3.074 70 40 FGIB Cc1nc(Nc2ccc(Br)cc2)cc(N2CCN(C)CC2)n1 216849063 MSRMZCPFHNJGLA-UHFFFAOYSA-N 362.275 3.043 70 40 FGIB Cc1ccc2nc(NC(=O)[C@H]3CC[C@H](Cn4cnnn4)CC3)sc2c1 218287573 MYCSRRBSSSUFPB-BETUJISGSA-N 356.455 3.036 70 40 FGIB CSc1nc(Nc2ccc(F)c(Cl)c2)cc(N2CCN(C)CC2)n1 216851721 QGHJZRFRBPRETJ-UHFFFAOYSA-N 367.881 3.486 70 40 FGIB O=S(=O)(F)C(F)(F)C(F)(F)Oc1ccc(Br)cc1 100425030 SPXWBVPRFLQEGR-UHFFFAOYSA-N 355.078 3.313 70 40 FGIB CCc1ccc([C@H]2[C@@H](C(N)=S)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 218617581 WWIMIIVKZQMXGS-RCCFBDPRSA-N 359.516 3.399 70 40 FGIB CC[C@H](NC(=O)[C@H]1COc2ccccc2O1)c1ccc(OC)c(OC)c1 218300336 GAIRMGPFOQMKNX-IFXJQAMLSA-N 357.406 3.111 70 40 FGIB Cc1cc(-c2cccs2)nn1CCNC(=O)c1noc2c1CCCC2 217875030 OJKJBXUCNCTPBO-UHFFFAOYSA-N 356.451 3.217 70 40 FGIB COc1ccccc1CCCNC(=O)c1cc(OC)c(OC)c(OC)c1 218127499 DMTLYCANESWJJV-UHFFFAOYSA-N 359.422 3.084 70 40 FGIB COC(=O)c1c(NC(=O)CC2CCN(C)CC2)sc2c1CCCC2 216895183 ZFYNFTYOQNWIRO-UHFFFAOYSA-N 350.484 3.084 70 40 FGIB CC[C@H](C(=O)N1CCC(Oc2cc(C)n(C)c(=O)c2)CC1)c1ccccc1 217776568 LLZGPPQJFKQRMY-FQEVSTJZSA-N 368.477 3.257 70 40 FGIB CCc1ccccc1Cn1cc([C@H]2SCC(=O)N2Cc2ccco2)nn1 216686120 OLYHPABLLQDMAG-LJQANCHMSA-N 368.462 3.256 70 40 FGIB Cc1ccc(-c2noc(CNC(=O)[C@H](C)Oc3ccc(F)cc3)n2)cc1 218704801 QAHBQQGDXOPHJJ-ZDUSSCGKSA-N 355.369 3.268 70 40 FGIB COc1ccc(CC(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1 217020480 SRGDSMZBCPXEFC-UHFFFAOYSA-N 368.477 3.027 70 40 FGIB Cc1nc(Nc2cccc(Br)c2)cc(N2CCN(C)CC2)n1 216849019 UBEWTDPLVCUCMN-UHFFFAOYSA-N 362.275 3.043 70 40 FGIB COc1ccc(-c2noc(CNC(=O)c3ccc(Cl)cc3)n2)c(OC)c1 217851444 ZGDUNKUFZMISRC-UHFFFAOYSA-N 373.796 3.337 70 40 FGIB CCOc1ccc(S(=O)(=O)NC[C@@H]2CCCN2c2ccccc2)cc1C 217860514 DSTONLSUXGARHH-SFHVURJKSA-N 374.506 3.341 70 40 FGIB COc1ccccc1CCCNC(=O)/C=C/c1ccc(OC)c(OC)c1 217923051 ZTJPMPVLNAOUTK-ACCUITESSA-N 355.434 3.475 70 40 FGIB COc1cc(-c2cc(C(=O)N3[C@H]4C=CC[C@H]3CC4)[nH]n2)cc(OC)c1OC 218743114 YCROZBCJJSSVJM-KBPBESRZSA-N 369.421 3.036 70 40 FGIB C[C@](O)(CNC(=O)c1ccc(C(F)(F)F)nc1)c1cc2ccccc2o1 217995986 XMUZNUQZYQOTOS-KRWDZBQOSA-N 364.323 3.484 70 40 FGIB O=C(c1cc2c(Cl)cccc2[nH]1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 217573966 YMXUSAPAMZSVED-QWHCGFSZSA-N 367.836 3.243 70 40 FGIB CC(C)(C)OC(=O)[C@@H](CCc1ccccc1)OS(=O)(=O)C(F)(F)F 503983164 FRGJVBLCTPMQMQ-GFCCVEGCSA-N 368.373 3.196 70 40 FGIB in-vitro O=C(O)c1ccccc1C(=O)c1ccc(Cl)c(S(=O)(=O)Cl)c1 100011406 PYSORILUZXWKON-UHFFFAOYSA-N 359.186 3.197 70 40 FGIB C[C@@](O)(CNC(=O)c1ccc(C(F)(F)F)nc1)c1cc2ccccc2o1 217995903 XMUZNUQZYQOTOS-QGZVFWFLSA-N 364.323 3.484 70 40 FGIB COc1ccccc1N1CCO[C@H]1c1cn(Cc2ccccc2F)nn1 216763099 VRZVRNALJABYKG-IBGZPJMESA-N 354.385 3.010 70 40 FGIB CCCCCNC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C 216891027 LCPKMYBIXJEHEJ-UHFFFAOYSA-N 358.463 3.412 70 40 FGIB COc1ccccc1N1CCO[C@@H]1c1cn(Cc2ccc(F)cc2)nn1 216763160 BXWIFVPXWBRUFV-LJQANCHMSA-N 354.385 3.010 70 40 FGIB Cc1ccccc1Cn1cc([C@@H]2SCC(=O)N2Cc2ccccc2)nn1 216680801 KFQNIINTWIZFKY-FQEVSTJZSA-N 364.474 3.409 70 40 FGIB Cc1cccc(CN2CCO[C@@H]2c2cn(Cc3ccc(F)cc3)nn2)c1 216776363 AJYMNTPQJWKOIG-HXUWFJFHSA-N 352.413 3.305 70 40 FGIB CN1C(=O)c2ccccc2N(C)[C@H]1c1cn(Cc2cccc(Cl)c2)nn1 216757323 WYBQHJKMRFKXBO-GOSISDBHSA-N 367.840 3.200 70 40 FGIB F[Si]1(c2cccc(Br)c2)c2ccccc2-c2ccccc21 195768634 XDLFBFLWYRLRQV-UHFFFAOYSA-N 355.282 3.366 70 40 FGIB C[C@@](O)(CNC(=O)c1ccc2nsnc2c1)c1cc2ccccc2o1 217989137 KUCTWCUXUNRSQJ-GOSISDBHSA-N 353.403 3.075 70 40 FGIB COc1cccc(OC)c1C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 216930198 WDFIHJJWVVZUIJ-UHFFFAOYSA-N 370.449 3.429 70 40 FGIB CN1C(=O)c2ccccc2N(C)[C@H]1c1cn(Cc2ccccc2Cl)nn1 216757209 PUBCEJXKOOMMOD-GOSISDBHSA-N 367.840 3.200 70 40 FGIB COc1cccc(N2CCO[C@H]2c2cn(Cc3ccc(C)cc3)nn2)c1 216764558 MCMAOEKLFHDNMQ-FQEVSTJZSA-N 350.422 3.179 70 40 FGIB CN1CCC(C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)CC1 216921647 OJWJEALEDIVIPA-UHFFFAOYSA-N 356.441 3.363 70 40 FGIB CCOC(=O)N1CCN(C(=O)/C(=C/c2ccco2)c2ccccc2)CC1 218094636 NFNJKWNTKZJPMO-OBGWFSINSA-N 354.406 3.121 70 40 FGIB CCOc1ccc(NC(=O)c2ccc(C=O)cc2)cc1S(=O)(=O)Cl 100173739 RUXFEKGAYVFIGX-UHFFFAOYSA-N 367.810 3.078 70 40 FGIB O=C(c1cc(-c2ccco2)on1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 217805507 DDJQUIALSRTZKL-GFCCVEGCSA-N 368.393 3.290 70 40 FGIB O=C(NCCn1ccnc1-c1ccccn1)c1cc(-c2ccccc2)on1 217861432 KQGIJISAFLGOOJ-UHFFFAOYSA-N 359.389 3.030 70 40 FGIB O=C(c1cccnc1)N1CCC[C@@H](c2nnc(-c3ccc(F)cc3)o2)C1 216643399 JFWGIVXSYXOGLX-OAHLLOKOSA-N 352.369 3.291 70 40 FGIB COc1ccc(CNC(=O)CCCOc2ccccc2)c(OC)c1OC 218724423 VKDGERDLRQMWLO-UHFFFAOYSA-N 359.422 3.188 70 40 FGIB O=S(=O)(NCC[C@H](O)c1ccsc1)c1cccc(C(F)(F)F)c1 217538681 FNWRXKLORNKNII-ZDUSSCGKSA-N 365.398 3.169 70 40 FGIB CC(C)Oc1cccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1 218331940 QSCGDJZIJGFAGD-UHFFFAOYSA-N 362.451 3.122 70 40 FGIB CCc1ccc([C@@H]2[C@@H](C(N)=S)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 218617515 WWIMIIVKZQMXGS-KZNAEPCWSA-N 359.516 3.399 70 40 FGIB CCC[C@H](C)NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C 216891183 MBRJPALGQYBWOF-ZDUSSCGKSA-N 358.463 3.411 70 40 FGIB Cc1ccc(-c2noc(CNC(=O)[C@@H](C)Oc3ccc(F)cc3)n2)cc1 218704714 QAHBQQGDXOPHJJ-CYBMUJFWSA-N 355.369 3.268 70 40 FGIB CN(Cc1nc(-c2ccccc2)no1)C(=O)/C=C/c1ccc2c(c1)OCO2 217932742 LYPCFCVJVQKCSP-CSKARUKUSA-N 363.373 3.137 70 40 FGIB COc1ccc(NC(=O)COc2cccc(Cl)c2)cc1S(=O)(=O)F 104170570 FHQCJNMOQYXKGG-UHFFFAOYSA-N 373.789 3.024 70 40 FGIB COc1cccc(N2CCO[C@H]2c2cn(Cc3cccc(C)c3)nn2)c1 216764445 ANKJVSWVPTZKTF-FQEVSTJZSA-N 350.422 3.179 70 40 FGIB CC[C@H](NC(=O)/C=C/c1ccc(OC)cc1)c1ccc(S(C)(=O)=O)cc1 217920604 PCHMJEMWRHJHHD-FZVHGAAGSA-N 373.474 3.379 70 40 FGIB COc1ccc2c(c1)[C@@H](NC(=O)[C@H]1COc3ccccc3O1)CC(C)(C)O2 218299795 YYTNYQWWKXMQSB-HNAYVOBHSA-N 369.417 3.254 70 40 FGIB Cc1nn(C)c(C)c1C(=O)NCCn1nc(-c2ccsc2)cc1C1CC1 217880558 SUXYTDVSQWMXRQ-UHFFFAOYSA-N 369.494 3.269 70 40 FGIB Cc1ccccc1CS(=O)(=O)Nc1ccc(OC2CCN(C)CC2)cc1 216947719 QSTHUMPYAXUROJ-UHFFFAOYSA-N 374.506 3.410 70 40 FGIB Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1C 218588809 PULUGGNSFHFMSP-HNNXBMFYSA-N 360.479 3.474 70 40 FGIB Cc1ccc([C@@H](C)NC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1C 218580552 UATIGMCPKRUJNZ-OAHLLOKOSA-N 360.479 3.474 70 40 FGIB COC(=O)CS[C@@H]1CCN(C(=O)C2(c3cccs3)CCCC2)C1 217557060 RDXZBKKZLFUTCT-CYBMUJFWSA-N 353.509 3.067 70 40 FGIB C[C@@](O)(CNS(=O)(=O)c1cccc(Cl)c1)c1cc2ccccc2o1 217997473 OSNGPXSOCJFJRT-QGZVFWFLSA-N 365.838 3.272 70 40 FGIB COc1ccc(CCC(=O)NCCOc2ccccc2Cl)cc1OC 159445767 REENGXHZXAHMRE-UHFFFAOYSA-N 363.841 3.485 70 40 FGIB O=C1O[C@]2(CCCN(C(=O)Cn3ccc4ccccc43)C2)c2ccccc21 217589985 LBXHHPWTHRGLLH-QFIPXVFZSA-N 360.413 3.330 70 40 FGIB C[C@@](O)(CNC(=O)COc1ccc(Cl)cc1)c1cc2ccccc2o1 217989516 OJKZPRDCOSFOBL-LJQANCHMSA-N 359.809 3.489 70 40 FGIB O=C(NC[C@H]1CCCN(c2nccs2)C1)c1nc2ccccc2s1 218121094 TVVQDKMBRXRVRC-GFCCVEGCSA-N 358.492 3.399 70 40 FGIB CCOc1ccc2ccccc2c1C(=O)N1CC[C@H](SCC(=O)OC)C1 217563344 JMVMTNKCPWPKGG-HNNXBMFYSA-N 373.474 3.359 70 40 FGIB Cc1ccc(CN2CCO[C@H]2c2cn(Cc3ccc(F)cc3)nn2)cc1 216774507 RJTUUWKARXHFGS-FQEVSTJZSA-N 352.413 3.305 70 40 FGIB COc1ccc(-c2noc(CNC(=O)/C=C/c3ccccc3OC)n2)cc1 217968828 QREKDSPGEMNCJJ-FMIVXFBMSA-N 365.389 3.083 70 40 FGIB COc1ccc(-c2nnc(C3CCN(C(=O)c4cccnc4)CC3)o2)cc1 216636766 RUPXLJDLVTYJDN-UHFFFAOYSA-N 364.405 3.160 70 40 FGIB Cc1cccc(-c2noc(CNC(=O)/C=C/c3ccc4c(c3)OCO4)n2)c1 217931762 ALZQZWIIHSUGLD-SOFGYWHQSA-N 363.373 3.103 70 40 FGIB COc1ccc(OC[C@@H](C)NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 217923277 RHJAFNOEPMZWQK-KXCGHJCSSA-N 371.433 3.309 70 40 FGIB O=C(NCCn1ccnc1-c1ccccn1)NCc1ccc(Cl)cc1 217862875 MBLCNSQFYHGKEJ-UHFFFAOYSA-N 355.829 3.098 70 40 FGIB Cn1cc([C@H](O)CNC(=O)c2ccc3ncsc3c2)c2ccccc21 217574432 JGRJQIVGAVKLPY-QGZVFWFLSA-N 351.431 3.251 70 40 FGIB CCOC(=O)c1c(NC(=O)[C@H]2CCCN(C)C2)sc2c1CCCC2 216908796 TZRGBRQEZZKXDA-LBPRGKRZSA-N 350.484 3.084 70 40 FGIB CC(C)(C)c1ncc(NC(=O)NCCc2nc3c(s2)CCCC3)cn1 160381407 BTBDQVXYRHWQTF-UHFFFAOYSA-N 359.499 3.474 70 40 FGIB Cc1cc(S(=O)(=O)F)ccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 104169669 KUOBIMIJSOAKSX-RUDMXATFSA-N 364.354 3.213 70 40 FGIB COc1cccc(-c2noc(CNC(=O)COc3ccc(C)c(C)c3)n2)c1 218723409 HYARHTARKYLAGU-UHFFFAOYSA-N 367.405 3.057 70 40 FGIB O=S(=O)(NCC[C@H](O)c1ccsc1)c1ccc2c(c1)CCCC2 217537894 BGKAXXOUCQLUIA-KRWDZBQOSA-N 351.493 3.029 70 40 FGIB COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)c1ccc(Cl)s1 218007118 GKJOCFATXIWOGB-QGZVFWFLSA-N 351.855 3.364 70 40 FGIB COc1ccccc1C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 216931146 RZRJDJMJJOEELB-UHFFFAOYSA-N 354.450 3.098 70 40 FGIB Cc1ccc(Cn2cc([C@@H]3SCC(=O)N3Cc3ccccc3)nn2)cc1 216680998 OVANHZVWMGMXQD-FQEVSTJZSA-N 364.474 3.409 70 40 FGIB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1nc(-c2ccccc2)no1 218759476 ZHKWUMCATLQDBE-QGZVFWFLSA-N 367.405 3.219 70 40 FGIB CC[C@H](NC(=O)COc1ccccc1OC)c1ccc(OC)c(OC)c1 217948096 MEWYGUSRIXEGCS-HNNXBMFYSA-N 359.422 3.359 70 40 FGIB C[C@@](O)(CNC(=O)c1ccc2c(c1)OCO2)c1cc2ccccc2s1 217501877 GUTDIIFMOKNLTF-LJQANCHMSA-N 355.415 3.268 70 40 FGIB COc1ccccc1N1CCO[C@@H]1c1cn(Cc2cccc(C)c2)nn1 216762547 LRPDVAKCKCZURF-HXUWFJFHSA-N 350.422 3.179 70 40 FGIB Cc1ccc(Cn2cc([C@H]3SCC(=O)N3Cc3ccccc3)nn2)cc1 216681610 OVANHZVWMGMXQD-HXUWFJFHSA-N 364.474 3.409 70 40 FGIB Cc1nc(C(=O)N(Cc2ccco2)Cc2nn(C)c3c2CCC3)cs1 217902057 DCWYUDZCNBVLGK-UHFFFAOYSA-N 356.451 3.109 70 40 FGIB COc1cccc(Cn2cc([C@H]3OCCN3c3ccc(C)cc3)nn2)c1 216762081 APETYCCPPVEDKZ-HXUWFJFHSA-N 350.422 3.179 70 40 FGIB COc1cccc(Cn2cc([C@H]3OCCN3Cc3ccc(C)cc3)nn2)c1 216775191 GMYZCNJKNOGXKX-OAQYLSRUSA-N 364.449 3.174 70 40 FGIB COc1ccc(O[C@H](C)C(=O)N(C)Cc2nc(-c3cccs3)no2)cc1 218753983 FPKRXPFYUMDIDH-GFCCVEGCSA-N 373.434 3.233 70 40 FGIB COc1ccc(OC[C@H](C)NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 217928588 GTDWYONBXAEPIL-DEYRLNKFSA-N 355.390 3.021 70 40 FGIB Cc1ccccc1CN1CCC(C(=O)NCCC2CCN(C)CC2)CC1 217029593 XXETWHHIMNXENJ-UHFFFAOYSA-N 357.542 3.055 70 40 FGIB CC(C)(C)c1ccc(-c2noc(C3CCN(S(C)(=O)=O)CC3)n2)cc1 216671105 YKFPRRQDABVCOF-UHFFFAOYSA-N 363.483 3.173 70 40 FGIB CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(C)C2)sc2c1CCCC2 216908769 TZRGBRQEZZKXDA-GFCCVEGCSA-N 350.484 3.084 70 40 FGIB O=C1C[C@H]2c3ccccc3[C@@H]1[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]21 217530729 NUDNALXJSAGABU-LEUOFYLZSA-N 351.789 3.299 70 40 FGIB COc1ccc(CCCNC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 217923168 AOSJMHJPUIPHJU-UKTHLTGXSA-N 355.434 3.475 70 40 FGIB COc1cccc(N2CCO[C@@H]2c2cn(Cc3ccc(C)cc3)nn2)c1 216764509 MCMAOEKLFHDNMQ-HXUWFJFHSA-N 350.422 3.179 70 40 FGIB C[C@H](C(=O)NC1CCCCCCC1)N(c1ccccc1)S(C)(=O)=O 218283346 XHODMMZACZAIEZ-OAHLLOKOSA-N 352.500 3.070 70 40 FGIB C[C@@](O)(CNC(=O)c1ccc(Br)o1)c1cc2ccccc2o1 217990077 FYOOKHXPVHIWPJ-MRXNPFEDSA-N 364.195 3.426 70 40 FGIB Cc1cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)ccc1S(=O)(=O)F 100481903 SYWSFEUGHAWZGV-RUDMXATFSA-N 364.354 3.213 70 40 FGIB Cc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)cc1 218507617 OSSJMCJJBSZSND-UHFFFAOYSA-N 372.490 3.018 70 40 FGIB O=C(c1nnn(Cc2ccccc2)c1-n1cccc1)N1CCc2ccccc21 217472181 FEDPDACQSBFPEE-UHFFFAOYSA-N 369.428 3.320 70 40 FGIB Cc1cccc(Cn2cc([C@H]3SCC(=O)N3Cc3ccco3)nn2)c1 216684234 UTSFVPMJDJZZFF-GOSISDBHSA-N 354.435 3.002 70 40 FGIB O=C(NCC[C@H](O)C1CCOCC1)NC(c1ccccc1)c1ccccc1 217930954 CCYFLWNJZJJNEV-FQEVSTJZSA-N 368.477 3.253 70 40 FGIB CN1CCC(CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)CC1 216894333 LYZXDINKRLFLLQ-UHFFFAOYSA-N 357.498 3.420 70 40 FGIB O=S(=O)(Cc1ccccc1Cl)NC[C@H]1CCCN1c1ccccc1 217858592 ANLNTIJFYODUHV-QGZVFWFLSA-N 364.898 3.428 70 40 FGIB CN1CCC(CCNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC1 217029248 QIGKBBRBMGUBMH-UHFFFAOYSA-N 374.506 3.489 70 40 FGIB O=C(c1cc(-c2ccco2)on1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 217805590 DDJQUIALSRTZKL-LBPRGKRZSA-N 368.393 3.290 70 40 FGIB COc1ccc(-c2noc(CNC(=O)c3ccccc3Cl)n2)c(OC)c1 217848481 PCVXNLIKJSMODG-UHFFFAOYSA-N 373.796 3.337 70 40 FGIB COc1ccc(CN2CCO[C@H]2c2cn(Cc3ccc(C)cc3)nn2)cc1 216777771 FPADBHQAXUCWTB-NRFANRHFSA-N 364.449 3.174 70 40 FGIB O=C1CS[C@H](c2cn(Cc3ccc(F)cc3)nn2)N1Cc1ccccc1 216682167 DQOZJCRBFBMEBF-LJQANCHMSA-N 368.437 3.240 70 40 FGIB COc1cccc(Cn2cc([C@@H]3OCCN3c3ccc(C)cc3)nn2)c1 216762043 APETYCCPPVEDKZ-FQEVSTJZSA-N 350.422 3.179 70 40 FGIB O=C(Oc1ccc(S(=O)(=O)F)cc1Cl)c1ccc([N+](=O)[O-])cc1 104161764 SPFCZNZIDUTANW-UHFFFAOYSA-N 359.718 3.126 70 40 FGIB C[C@@](O)(CNC(=O)c1noc2c1CCCC2)c1cc2ccccc2s1 217509611 MYSXDUOWZNBCHE-LJQANCHMSA-N 356.447 3.406 70 40 FGIB CCOC(=O)C(C#N)=P(c1ccccc1)(c1ccccc1)c1ccccc1 8448162 ZTDOSQRNLVWAJF-UHFFFAOYSA-N 373.392 3.240 70 40 FGIB COc1cccc(N2CCO[C@@H]2c2cn(Cc3cccc(C)c3)nn2)c1 216764404 ANKJVSWVPTZKTF-HXUWFJFHSA-N 350.422 3.179 70 40 FGIB Cc1cccc(CN2CCO[C@H]2c2cn(Cc3ccccc3F)nn2)c1 216776299 GCCSDLVCMRPJBK-FQEVSTJZSA-N 352.413 3.305 70 40 FGIB COc1ccc(CNC(=O)CSc2ccc(C)cc2)c(OC)c1OC 217974954 CZHKVEIDRQFUSY-UHFFFAOYSA-N 361.463 3.429 70 40 FGIB Cc1ccc(CC(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1 217020667 UZWSNHXJWYPGJD-UHFFFAOYSA-N 352.478 3.327 70 40 FGIB C[C@H](NC(=O)c1ccccc1NC(=O)[C@H]1CCCN(C)C1)c1ccccc1 216908253 IGFLEPVWCPSTCO-WMZOPIPTSA-N 365.477 3.458 70 40 FGIB O=C(Nc1nnc(S(=O)(=O)Cl)s1)c1ccc(Cl)cc1Cl 225298776 SZIGCWRFTQKAAG-UHFFFAOYSA-N 372.642 3.025 70 40 FGIB Cc1cccc(Cn2cc([C@@H]3SCC(=O)N3Cc3ccco3)nn2)c1 216684186 UTSFVPMJDJZZFF-SFHVURJKSA-N 354.435 3.002 70 40 FGIB COc1ccc(CNC(=O)c2cc3cccc(OC)c3o2)c(OC)c1OC 218614461 DKXXQRFSFFKXDK-UHFFFAOYSA-N 371.389 3.397 70 40 FGIB COc1cccc(-c2noc(CNC(=O)[C@H](C)Oc3cccc(C)c3)n2)c1 218690402 TVHQFRVBYFOKSL-AWEZNQCLSA-N 367.405 3.137 70 40 FGIB Cc1cc(OC2CCN(C(=O)c3ccc(Cl)s3)CC2)cc(=O)n1C 217776467 WPSGHRQLFHOGOO-UHFFFAOYSA-N 366.870 3.092 70 40 FGIB Cc1ccc(S(=O)(=O)NC[C@](C)(O)c2cc3ccccc3s2)s1 217511656 DNLLVICAYIBUCI-INIZCTEOSA-N 367.517 3.457 70 40 FGIB Cc1ccc(C)c([C@@H](C)NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)c1 218284200 YZLZQWPDWRSWQO-SJORKVTESA-N 374.506 3.335 70 40 FGIB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCc1nc(-c2cccs2)no1 218760248 OLLITHZSVDFVAZ-AWEZNQCLSA-N 373.434 3.281 70 40 FGIB C[C@](O)(CNC(=O)c1ccc2nsnc2c1)c1cc2ccccc2o1 217989213 KUCTWCUXUNRSQJ-SFHVURJKSA-N 353.403 3.075 70 40 FGIB CCCCc1nc(C)sc1C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 217584602 VSOJMBOWLYVIQR-LSDHHAIUSA-N 371.506 3.215 70 40 FGIB COc1ccc(OCCCC(=O)N[C@H](C)COc2ccc(OC)cc2)cc1 218740219 DZJZSTSMDPOHJI-MRXNPFEDSA-N 373.449 3.447 70 40 FGIB COc1ccc(C(=O)NCCCN2CCCc3ccccc32)cc1OC 217881993 PGQGUHQZFOXADM-UHFFFAOYSA-N 354.450 3.277 70 40 FGIB COc1ccc(/C=C/C(=O)NCCOc2ccc(C)cc2)c(OC)c1OC 218185994 QDUVSECNFLYBIV-XYOKQWHBSA-N 371.433 3.229 70 40 FGIB O=S(=O)(Nc1cnn(CC2CCOCC2)c1)c1cccc2ccccc12 218246511 JPDSLNGFVQSNRU-UHFFFAOYSA-N 371.462 3.264 70 40 FGIB O=C1CS[C@@H](c2cn(Cc3ccccc3Cl)nn2)N1Cc1ccco1 216684415 KHJQRSGWKCFTNA-KRWDZBQOSA-N 374.853 3.347 70 40 FGIB O=C(NC[C@@H]1C[C@H]2C=C[C@@H]1C2)c1cc(=O)c(OCc2ccccc2)co1 217968734 CZMHXMXHVOEZML-BBWFWOEESA-N 351.402 3.161 70 40 FGIB COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)c1nc2ccccc2s1 218007790 BKDLPTROGFMDEY-FQEVSTJZSA-N 368.458 3.259 70 40 FGIB COc1ccc(-c2nnc([C@H]3CCCN(C(=O)c4ccco4)C3)o2)cc1 216656518 JXGUZULTOOYMOU-AWEZNQCLSA-N 353.378 3.358 70 40 FGIB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@H](C)COc1ccc(OC)cc1 218755809 MPXJLYZRGPWPQX-QRWLVFNGSA-N 373.449 3.445 70 40 FGIB CN1CCC(CC(=O)Nc2ccccc2C(=O)N2CCCCCC2)CC1 216896460 IILVDQTWDSUPCM-UHFFFAOYSA-N 357.498 3.373 70 40 FGIB Cc1noc(C)c1CC(=O)NCCn1nc(-c2ccsc2)cc1C1CC1 217879960 DUKDSFIVWRKDBN-UHFFFAOYSA-N 370.478 3.453 70 40 FGIB O=S(=O)(Cl)c1ccc(Br)c(OCOC(F)(F)F)c1 642887043 GVTARYJDNSKPDM-UHFFFAOYSA-N 369.542 3.249 70 40 FGIB O=C1CS[C@@H](c2cn(Cc3ccccc3)nn2)N1Cc1ccccc1 216680692 YHHBEOZRRVENDH-IBGZPJMESA-N 350.447 3.101 70 40 FGIB O=C1CS[C@@H](c2cn(Cc3cccc(Cl)c3)nn2)N1Cc1ccco1 216684521 OVQWTUVCWBSLKF-KRWDZBQOSA-N 374.853 3.347 70 40 FGIB O=C(NCCn1cnc(C2CCCC2)cc1=O)Nc1cccc(Cl)c1 217477667 WYKNBPIPPKRFBB-UHFFFAOYSA-N 360.845 3.376 70 40 FGIB COc1ccc(/C=C/C(=O)NCc2nc(-c3ccc(OC)cc3)no2)cc1 217920908 DJRNPYAJLDJRBG-LFYBBSHMSA-N 365.389 3.083 70 40 FGIB COC1CCN(C2CCN(C(=O)CCc3cccc(Cl)c3)CC2)CC1 217765977 SKXPKCQGLGXHKT-UHFFFAOYSA-N 364.917 3.374 70 40 FGIB O=C(Nc1ccc2c(c1)OCCCO2)c1cccc(S(=O)(=O)Cl)c1 102327907 KMZLDGTVZXQTIK-UHFFFAOYSA-N 367.810 3.028 70 40 FGIB COc1ccc(-c2nnc([C@H]3CCCN(C(=O)c4cccnc4)C3)o2)cc1 216656699 NKEBRLIIPLBONL-INIZCTEOSA-N 364.405 3.160 70 40 FGIB CCc1ccc(N2CCO[C@@H]2c2cn(Cc3cccc(OC)c3)nn2)cc1 216769457 MDIZNEZGPSKHOX-OAQYLSRUSA-N 364.449 3.433 70 40 FGIB Cn1nc(CN(C(=O)COc2ccccc2F)C2CCCC2)c2c1CCC2 217909450 YYDPIJYHRWXPHF-UHFFFAOYSA-N 371.456 3.398 70 40 FGIB COc1cccc(-c2noc(CN(C)C(=O)CCc3ccccc3)n2)c1 218173904 ZKYUOEZBQOMGRT-UHFFFAOYSA-N 351.406 3.336 70 40 FGIB Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)c1 218284106 YZLZQWPDWRSWQO-IAGOWNOFSA-N 374.506 3.335 70 40 FGIB COc1cccc(Cn2cc([C@@H]3OCCN3c3cccc(C)c3)nn2)c1 216760158 GJPPYVVPSWXZNC-FQEVSTJZSA-N 350.422 3.179 70 40 FGIB FC(F)(F)CO[Si](Cl)(OCC(F)(F)F)OCC(F)(F)F 169806595 BLFDHQMBMOKXFD-UHFFFAOYSA-N 360.632 3.398 70 40 FGIB O=C(Nc1cccs1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 217848865 WZVKMELEECOYPG-LBPRGKRZSA-N 370.438 3.075 70 40 FGIB COc1ccc(CN2CCO[C@H]2c2cn(Cc3cccc(C)c3)nn2)cc1 216777649 VBHLOBSPFOZCGN-NRFANRHFSA-N 364.449 3.174 70 40 FGIB Cc1ccc(CN2CCO[C@@H]2c2cn(Cc3ccccc3F)nn2)cc1 216774342 WTVIDLCSKNITJE-HXUWFJFHSA-N 352.413 3.305 70 40 FGIB C/C(=C\C(=O)Nc1ccc(S(=O)(=O)F)cc1)c1ccc([N+](=O)[O-])cc1 104170274 CGZQOHFUKJJQOS-ZHACJKMWSA-N 364.354 3.295 70 40 FGIB COc1ccc(CSCC(=O)NCc2nc(-c3ccccc3)no2)cc1 218116984 OFJOTTKADFJQJX-UHFFFAOYSA-N 369.446 3.295 70 40 FGIB COc1ccc(OCCCC(=O)N[C@@H](C)COc2ccc(OC)cc2)cc1 218740175 DZJZSTSMDPOHJI-INIZCTEOSA-N 373.449 3.447 70 40 FGIB O=S(=O)(OC1CN(C(c2ccccc2)c2ccccc2)C1)C(F)(F)F 204988210 YBFKVUDYMDXZMT-UHFFFAOYSA-N 371.380 3.326 70 40 FGIB O=C(Nc1cccs1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1 217848773 WZVKMELEECOYPG-GFCCVEGCSA-N 370.438 3.075 70 40 FGIB COc1ccc(CN2CCO[C@H]2c2cn(Cc3ccccc3F)nn2)cc1 216778216 CISBTWNVXSONFG-FQEVSTJZSA-N 368.412 3.005 70 40 FGIB COc1ccc(-c2noc(CNC(=O)/C=C/c3ccccc3)n2)c(OC)c1 217886015 YZPIWKATRJBINY-DHZHZOJOSA-N 365.389 3.083 70 40 FGIB CC(C)Oc1cccc(CCCNC(=O)[C@@H]2COc3ccccc3O2)c1 218298324 QMGWHUNHPRRDBL-FQEVSTJZSA-N 355.434 3.363 70 40 FGIB O=C1O[C@@]2(CCCN(C(=O)Cn3ccc4ccccc43)C2)c2ccccc21 217589907 LBXHHPWTHRGLLH-JOCHJYFZSA-N 360.413 3.330 70 40 FGIB Cn1nc(CN(C2CCCC2)S(=O)(=O)c2cccs2)c2c1CCC2 217912607 KKVSLQSPAUGXLD-UHFFFAOYSA-N 365.524 3.104 70 40 FGIB O=S(=O)(NCC[C@@H](O)c1ccsc1)c1cccc(C(F)(F)F)c1 217538759 FNWRXKLORNKNII-CYBMUJFWSA-N 365.398 3.169 70 40 FGIB CC[C@H](NC(=O)CSc1ccccc1)c1ccc(S(C)(=O)=O)cc1 217974101 FAABWURYXHBCHT-KRWDZBQOSA-N 363.504 3.450 70 40 FGIB Cc1ccc([C@@H](C)NC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)cc1C 218598168 RQVMHTSMFLEVCX-OAHLLOKOSA-N 360.479 3.474 70 40 FGIB O=C(NC1(Cc2cccc(F)c2)CCC1)c1cccc(S(=O)(=O)F)c1 1121094263 BPYQSNJLANKQPW-UHFFFAOYSA-N 365.401 3.379 70 40 FGIB Cc1ccc(C)c(C(=O)CCC(=O)N2CCOC[C@H]2[C@@H]2CCCCC2=O)c1 160649813 WHBJCTIQQLFCBY-HKUYNNGSSA-N 371.477 3.253 70 40 FGIB CC[C@@H](NC(=O)COc1ccccc1OC)c1ccc(OC)c(OC)c1 217948013 MEWYGUSRIXEGCS-OAHLLOKOSA-N 359.422 3.359 70 40 FGIB Cc1ccccc1Cn1cc([C@H]2SCC(=O)N2Cc2ccccc2)nn1 216680847 KFQNIINTWIZFKY-HXUWFJFHSA-N 364.474 3.409 70 40 FGIB COc1cccc(-c2nnc([C@H]3CCCN(C(=O)c4cccnc4)C3)o2)c1 216654738 SSDPPPGQZSUQID-INIZCTEOSA-N 364.405 3.160 70 40 FGIB COc1ccc(CN2CCO[C@@H]2c2cn(Cc3ccccc3F)nn2)cc1 216778168 CISBTWNVXSONFG-HXUWFJFHSA-N 368.412 3.005 70 40 FGIB CN(C)C(=O)c1ccc(NC(=O)COc2ccc3c(c2)CCCC3)cc1 160366703 DNSNMNCBDIRFSQ-UHFFFAOYSA-N 352.434 3.285 70 40 FGIB COc1cccc(-c2noc(CNC(=O)[C@@H](C)Oc3cccc(C)c3)n2)c1 218690330 TVHQFRVBYFOKSL-CQSZACIVSA-N 367.405 3.137 70 40 FGIB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@H](C)COc1ccc(OC)cc1 218755768 MPXJLYZRGPWPQX-FOIQADDNSA-N 373.449 3.445 70 40 FGIB COc1ccc(CN2CCO[C@H]2c2cn(Cc3ccccc3C)nn2)cc1 216777541 ZSVWACOAIFJQND-NRFANRHFSA-N 364.449 3.174 70 40 FGIB CC(C)(C)c1ccc(-c2noc([C@@H]3CCCN(S(C)(=O)=O)C3)n2)cc1 216672564 RJJDUONUDVPJOS-CQSZACIVSA-N 363.483 3.173 70 40 FGIB C[C@@H](C(=O)NC1CCCCCCC1)N(c1ccccc1)S(C)(=O)=O 218283294 XHODMMZACZAIEZ-HNNXBMFYSA-N 352.500 3.070 70 40 FGIB O=C(CCCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1S(=O)(=O)F 100482892 SHKICSKXHAZURI-UHFFFAOYSA-N 366.370 3.214 70 40 FGIB COc1cccc(-c2nnc(C3CCN(C(=O)c4ccco4)CC3)o2)c1 216635676 KNKUSMIYYORMPG-UHFFFAOYSA-N 353.378 3.358 70 40 FGIB O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Cl)cc1 95697858 LNIURRRAXLGQOI-UHFFFAOYSA-N 355.759 3.166 70 40 FGIB O=C(COc1cccnc1)Nc1ccccc1-c1cn2ccsc2n1 218552491 LZOCFCQKWBCDCV-UHFFFAOYSA-N 350.403 3.475 70 40 FGIB CC1CCN(Cc2ccc(C(=O)NCCC3CCN(C)CC3)cc2)CC1 217017292 YZHCZFDIPRPZQV-UHFFFAOYSA-N 357.542 3.380 70 40 FGIB COc1cccc(Cn2cc([C@@H]3OCCN3Cc3ccc(C)cc3)nn2)c1 216775148 GMYZCNJKNOGXKX-NRFANRHFSA-N 364.449 3.174 70 40 FGIB CN1CCC(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)CC1 216894435 BSYKOIOIACALHM-UHFFFAOYSA-N 365.477 3.287 70 40 FGIB COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)c1ccc(Cl)s1 218007041 GKJOCFATXIWOGB-KRWDZBQOSA-N 351.855 3.364 70 40 FGIB O=C(NCCOc1ccccc1Cl)c1ccc(CN2CCCC2=O)cc1 159516526 XVBRGCRYYQZUCO-UHFFFAOYSA-N 372.852 3.271 70 40 FGIB COc1ccc(S(=O)(=O)Cl)cc1CNC(=O)c1ccc(Cl)cc1 100027167 VEFGMATTXFYVJV-UHFFFAOYSA-N 374.245 3.206 70 40 FGIB CN(C)c1ccc(NC(=O)Nc2ccc(S(=O)(=O)Cl)cc2)cc1 95698177 XUYGUAWOYYFINU-UHFFFAOYSA-N 353.831 3.324 70 40 FGIB Cc1ccc(CN2CCO[C@H]2c2cn(Cc3ccccc3F)nn2)cc1 216774388 WTVIDLCSKNITJE-FQEVSTJZSA-N 352.413 3.305 70 40 FGIB O=S(=O)(Cl)c1cn(C2CCCC2)nc1COCCC(F)(F)F 408717048 VFLXTEGCQPQYHW-UHFFFAOYSA-N 360.785 3.395 70 40 FGIB COc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Oc2ccc(OC)cc2)cc1 218749475 PISRALKOGFDGSS-LSDHHAIUSA-N 359.422 3.055 70 40 FGIB COc1ccc2c(c1)[C@H](NC(=O)[C@@H]1COc3ccccc3O1)CC(C)(C)O2 218299748 YYTNYQWWKXMQSB-BEFAXECRSA-N 369.417 3.254 70 40 FGIB Cc1ccc(OCCNC(=O)CN2C(=O)c3cccc4cccc2c34)cc1 218316747 UPSQNQNCRYSTKZ-UHFFFAOYSA-N 360.413 3.304 70 40 FGIB Cc1ccc(C)c(C(=O)CCC(=O)N2CCOC[C@H]2[C@H]2CCCCC2=O)c1 160650055 WHBJCTIQQLFCBY-MJGOQNOKSA-N 371.477 3.253 70 40 FGIB O=C(c1cccnc1)N1CCC[C@H](c2nnc(-c3ccc(F)cc3)o2)C1 216643436 JFWGIVXSYXOGLX-HNNXBMFYSA-N 352.369 3.291 70 40 FGIB CC[C@@H](NC(=O)/C=C/c1ccc(OC)cc1)c1ccc(S(C)(=O)=O)cc1 217920520 PCHMJEMWRHJHHD-NNJXQSOLSA-N 373.474 3.379 70 40 FGIB C[C@@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1nc(-c2ccccc2)no1 218705999 QSQNIXFGLPAADU-CYBMUJFWSA-N 355.369 3.302 70 40 FGIB Cc1cccc(Cn2cc([C@@H]3SCC(=O)N3Cc3ccccc3)nn2)c1 216680914 JNRXGTCXUVBPEW-FQEVSTJZSA-N 364.474 3.409 70 40 FGIB CCOc1ccc(NC(=O)c2ccc(F)cc2)cc1S(=O)(=O)Cl 95698143 GUVYIEGBMBTXFV-UHFFFAOYSA-N 357.790 3.404 70 40 FGIB O=C(Nc1cnn(CC2CCOCC2)c1)c1ccccc1OC(F)(F)F 218232646 NWXPBAKOSTZZGB-UHFFFAOYSA-N 369.343 3.461 70 40 FGIB O=S(=O)(NCC[C@@H](O)c1ccsc1)c1ccc2c(c1)CCCC2 217537981 BGKAXXOUCQLUIA-QGZVFWFLSA-N 351.493 3.029 70 40 FGIB CN1CCC(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 216897700 OWXJCNKHAHJICE-UHFFFAOYSA-N 369.431 3.086 70 40 FGIB CCCOc1ccccc1CCCNC(=O)[C@@H]1COc2ccccc2O1 218298597 ZQHWFWFQYHMWBZ-FQEVSTJZSA-N 355.434 3.364 70 40 FGIB CN(CCCNC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccccc1 218322122 WBKKCWHLKIFRDU-UHFFFAOYSA-N 373.456 3.443 70 40 FGIB COc1cccc(-c2noc(CNC(=O)COc3cc(C)cc(C)c3)n2)c1 218696521 RPBIDQFAMXQRPP-UHFFFAOYSA-N 367.405 3.057 70 40 FGIB C[C@](O)(CNC(=O)c1cc(-c2ccco2)on1)c1cc2ccccc2o1 217988486 NFQANURZIAAOPL-IBGZPJMESA-N 352.346 3.318 70 40 FGIB COc1ccccc1-c1nnc([C@@H]2CCCN(C(=O)c3ccco3)C2)o1 216652159 WUEYCNZXTLNPGP-CYBMUJFWSA-N 353.378 3.358 70 40 FGIB O=S(=O)(Cl)c1cccc2c(I)cccc12 72399964 HPGIIEANQDDHGE-UHFFFAOYSA-N 352.580 3.372 70 40 FGIB in-vitro Cc1nc(Nc2ccc(C(F)(F)F)cc2)cc(N2CCN(C)CC2)n1 216849527 JDVXAQZQWFELBR-UHFFFAOYSA-N 351.376 3.299 70 40 FGIB O=C(CCc1ccccc1Br)NCCSC1CCOCC1 217703690 QKTZUTMHDHCITF-UHFFFAOYSA-N 372.328 3.410 70 40 FGIB CC[C@H](NC(=O)/C=C/c1ccccc1OC)c1ccc(S(C)(=O)=O)cc1 217968380 CNAIVEWGQYWGSU-BJRSVTDJSA-N 373.474 3.379 70 40 FGIB O=S(=O)(Oc1cc(Br)c(F)cc1Cl)C(F)(F)F 103625098 OKBOGESYNNJGRR-UHFFFAOYSA-N 357.506 3.470 70 40 FGIB Nc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)F)cc2)c(Cl)c1 104116416 DKZYUVMTDLBVNX-UHFFFAOYSA-N 356.806 3.152 70 40 FGIB O=C1CS[C@H](c2cn(Cc3ccccc3Cl)nn2)N1Cc1ccco1 216684453 KHJQRSGWKCFTNA-QGZVFWFLSA-N 374.853 3.347 70 40 FGIB COc1ccccc1N1CCO[C@H]1c1cn(Cc2cccc(C)c2)nn1 216762587 LRPDVAKCKCZURF-FQEVSTJZSA-N 350.422 3.179 70 40 FGIB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](C)COc1ccc(OC)cc1 218755671 MPXJLYZRGPWPQX-MGPUTAFESA-N 373.449 3.445 70 40 FGIB COc1ccccc1N1CCO[C@@H]1c1cn(Cc2ccccc2F)nn1 216763053 VRZVRNALJABYKG-LJQANCHMSA-N 354.385 3.010 70 40 FGIB Cc1ccc(N(CC(=O)NC2CCCCCCC2)S(C)(=O)=O)c(C)c1 218236074 XCIUJHAWJVUEBG-UHFFFAOYSA-N 366.527 3.299 70 40 FGIB O=C(CCSc1ccccc1)NCCn1ccnc1-c1ccccn1 217861767 VHKQMMAHKOBXRY-UHFFFAOYSA-N 352.463 3.244 70 40 FGIB COc1ccc(OC[C@H](C)NC(=O)[C@H](C)Oc2ccc(OC)cc2)cc1 218749573 PISRALKOGFDGSS-GJZGRUSLSA-N 359.422 3.055 70 40 FGIB Cc1cc(I)ccc1NC(=O)CC1CCN(C)CC1 216895015 HUAIKBMSFSDWPH-UHFFFAOYSA-N 372.250 3.270 70 40 FGIB COc1ccc(CN2CCO[C@@H]2c2cn(Cc3ccccc3C)nn2)cc1 216777496 ZSVWACOAIFJQND-OAQYLSRUSA-N 364.449 3.174 70 40 FGIB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H]1COc2ccccc2O1 218300087 DEYURRWQBYIOBG-DNVCBOLYSA-N 369.417 3.254 70 40 FGIB O=C(c1cccnc1)N1CCC[C@H](c2nnc(-c3ccccc3F)o2)C1 216645704 XLRKOGVNPJTBKF-AWEZNQCLSA-N 352.369 3.291 70 40 FGIB Cc1ccc([C@H](C)NC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1C 218580632 UATIGMCPKRUJNZ-HNNXBMFYSA-N 360.479 3.474 70 40 FGIB CCc1ccc(Cn2cc([C@@H]3SCC(=O)N3Cc3ccco3)nn2)cc1 216685735 PSCKRVNRNNCPQS-IBGZPJMESA-N 368.462 3.256 70 40 FGIB O=S(=O)(Cc1ccccc1Cl)NC[C@@H]1CCCN1c1ccccc1 217858673 ANLNTIJFYODUHV-KRWDZBQOSA-N 364.898 3.428 70 40 FGIB Cc1ccc([C@H](C)NC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1C 218343579 OOVBGGVRQXSMRL-HNNXBMFYSA-N 360.479 3.190 70 40 FGIB CCc1ccc([C@H]2[C@H](C(N)=S)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 218617431 WWIMIIVKZQMXGS-OKZBNKHCSA-N 359.516 3.399 70 40 FGIB CC1(C)Cc2cccc(OCC(=O)NCC[C@@H](O)c3ccsc3)c2O1 217532896 AJSWUHPAJYJZJM-OAHLLOKOSA-N 361.463 3.080 70 40 FGIB O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1cnc(-c2ccncc2)nc1 100041658 BXINIWMAHRQYJF-UHFFFAOYSA-N 367.233 3.453 70 40 FGIB CCOC(=O)c1c(NC(=O)C2CCN(C)CC2)sc2c1CCCC2 216920526 MAXRXSFBNOJHEW-UHFFFAOYSA-N 350.484 3.084 70 40 FGIB COc1ccc(CCC(=O)NCCn2nc(-c3ccncc3)cc2C)cc1 217869074 JZXMRZBBJDORFK-UHFFFAOYSA-N 364.449 3.011 70 40 FGIB COc1ccc(CNC(=O)NCCn2nc(-c3cccs3)cc2C)cc1 217875864 OQQGEMWCVLOJCE-UHFFFAOYSA-N 370.478 3.428 70 40 FGIB C[C@@](O)(CNS(=O)(=O)c1ccccc1F)c1cc2ccccc2s1 217511267 XCDVOBFDAXUQAD-QGZVFWFLSA-N 365.451 3.226 70 40 FGIB Cc1ccc(C)c([C@H](C)NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)c1 218284149 YZLZQWPDWRSWQO-DLBZAZTESA-N 374.506 3.335 70 40 FGIB O=C(/C=C/c1ccc2c(c1)OCO2)NCCCN1CCCc2ccccc21 217934017 SIAUITDFGKQXGF-PKNBQFBNSA-N 364.445 3.388 70 40 FGIB Cn1cc([C@@H](O)CNC(=O)c2ccc3ncsc3c2)c2ccccc21 217574511 JGRJQIVGAVKLPY-KRWDZBQOSA-N 351.431 3.251 70 40 FGIB O=C1CS[C@@H](c2cn(Cc3cccc(F)c3)nn2)N1Cc1ccccc1 216683612 WZQILELHUVSJGO-IBGZPJMESA-N 368.437 3.240 70 40 FGIB CCOc1ccc(S(=O)(=O)Cl)cc1NC(=O)Nc1ccccn1 95698119 JEMTXDGSQLMDRR-UHFFFAOYSA-N 355.803 3.052 70 40 FGIB Cn1nc(-c2cccs2)cc1C(=O)Nc1cnn(CC2CCOCC2)c1 218226394 YKAREFNYIGOQAJ-UHFFFAOYSA-N 371.466 3.024 70 40 FGIB CCOc1ccc2ccccc2c1C(=O)N1CC[C@@H](SCC(=O)OC)C1 217563426 JMVMTNKCPWPKGG-OAHLLOKOSA-N 373.474 3.359 70 40 FGIB O=C(CSc1nc2ccccc2o1)Nc1cnn(CC2CCOCC2)c1 218198337 JAFBSYCBHJAATM-UHFFFAOYSA-N 372.450 3.182 70 40 FGIB CSc1nc(Nc2ccccc2SC)cc(N2CCN(C)CC2)n1 216852709 AEYLLDJHVGCRQM-UHFFFAOYSA-N 361.540 3.416 70 40 FGIB Cn1cccc1[C@@H](O)CCNC(=O)CCc1ccc(C(F)(F)F)cc1 217939872 RFDQQZNTDMQDRN-INIZCTEOSA-N 354.372 3.216 70 40 FGIB C[C@](O)(CNC(=O)c1ccc2c(c1)OCO2)c1cc2ccccc2s1 217501968 GUTDIIFMOKNLTF-IBGZPJMESA-N 355.415 3.268 70 40 FGIB O=S(=O)(OCCCC(F)(F)C(F)(F)Br)C(F)(F)F 1083812618 ZZJMIOGEEGWUJG-UHFFFAOYSA-N 371.068 3.256 70 40 FGIB COc1ccc(-c2nnc([C@@H]3CCCN(C(=O)c4ccco4)C3)o2)cc1 216656482 JXGUZULTOOYMOU-CQSZACIVSA-N 353.378 3.358 70 40 FGIB O=S(=O)(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)C(F)(F)F 95681919 STZVWKAVKFQLAU-UHFFFAOYSA-N 364.132 3.024 70 40 FGIB COc1cccc(-c2noc(CNC(=O)/C=C/c3ccccc3OC)n2)c1 217968714 GTOQBLGABVWZLL-ZHACJKMWSA-N 365.389 3.083 70 40 FGIB Cc1oc2ccccc2c1CNC(=O)Cc1ccc(S(=O)(=O)F)cc1 1584356456 DSCAPPHYLPVRRF-UHFFFAOYSA-N 361.394 3.258 70 40 FGIB Cc1ccc(C)c([C@H](C)NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)c1 218284256 YZLZQWPDWRSWQO-IRXDYDNUSA-N 374.506 3.335 70 40 FGIB COc1ccc(Br)c(C(=O)NCC[C@H](O)c2ccsc2)c1 217533195 YIZFUQVPMJMEPP-AWEZNQCLSA-N 370.268 3.373 70 40 FGIB Cc1ccc(NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)F 104169083 SOZCVOYJHPMEQU-UHFFFAOYSA-N 354.315 3.172 70 40 FGIB CCc1ccc(N2CCO[C@H]2c2cn(Cc3cccc(OC)c3)nn2)cc1 216769519 MDIZNEZGPSKHOX-NRFANRHFSA-N 364.449 3.433 70 40 FGIB COC(=O)c1c(C)n(C(=O)COc2ccc(OC)cc2)c2ccccc12 216887552 UZNHUXZHEQOUKK-UHFFFAOYSA-N 353.374 3.464 70 40 FGIB O=C(CCCc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)F)cc1 100482155 BRKPXCJQKMMFPQ-UHFFFAOYSA-N 366.370 3.214 70 40 FGIB Cc1ccc(-c2noc(CNC(=O)/C=C/c3ccc4c(c3)OCO4)n2)cc1 217931866 VATYMMMRNXNLGL-WEVVVXLNSA-N 363.373 3.103 70 40 FGIB COc1cccc(N2CCO[C@@H]2c2cn(Cc3ccccc3F)nn2)c1 216764953 HSQMPMAJTDIFEN-LJQANCHMSA-N 354.385 3.010 70 40 FGIB CSc1ccccc1NC(=O)c1cn(C[C@H](O)c2ccccc2F)nn1 217472680 TXWRGHGOWHTOQD-INIZCTEOSA-N 372.425 3.125 70 40 FGIB COc1cccc(Cn2cc([C@H]3OCCN3c3cccc(C)c3)nn2)c1 216760200 GJPPYVVPSWXZNC-HXUWFJFHSA-N 350.422 3.179 70 40 FGIB CCc1ccc(Cn2cc([C@H]3SCC(=O)N3Cc3ccco3)nn2)cc1 216685778 PSCKRVNRNNCPQS-LJQANCHMSA-N 368.462 3.256 70 40 FGIB Cc1ccccc1OCC(=O)NCc1ccc(OC2CCN(C)CC2)cc1 216925089 FMBFUPUCXFEPGB-UHFFFAOYSA-N 368.477 3.163 70 40 FGIB COc1cccc(Cn2cc([C@H]3OCCN3Cc3cccc(C)c3)nn2)c1 216777079 NJZLDBFDALPZHE-OAQYLSRUSA-N 364.449 3.174 70 40 FGIB CN1C(=O)c2ccccc2N(C)[C@@H]1c1cn(Cc2cccc(Cl)c2)nn1 216757276 WYBQHJKMRFKXBO-SFHVURJKSA-N 367.840 3.200 70 40 FGIB CO[C@@H](CNC(=O)C(=O)NCCC1=CCCCC1)c1ccccc1Cl 218346229 NRBHSKMEYPFCIP-KRWDZBQOSA-N 364.873 3.150 70 40 FGIB O=C1CS[C@@H](c2cn(Cc3ccc(F)cc3)nn2)N1Cc1ccccc1 216682121 DQOZJCRBFBMEBF-IBGZPJMESA-N 368.437 3.240 70 40 FGIB COc1ccccc1-c1nnc([C@H]2CCCN(C(=O)c3ccco3)C2)o1 216652207 WUEYCNZXTLNPGP-ZDUSSCGKSA-N 353.378 3.358 70 40 FGIB C[C@](O)(CNS(=O)(=O)c1cccc(Cl)c1)c1cc2ccccc2o1 217997562 OSNGPXSOCJFJRT-KRWDZBQOSA-N 365.838 3.272 70 40 FGIB C[C@@H](NC(=O)c1ccccc1NC(=O)C1CCN(C)CC1)c1ccccc1 216920401 XQVYKCBBPSUMCS-MRXNPFEDSA-N 365.477 3.458 70 40 FGIB Cn1nc(CN(Cc2ccco2)C(=O)NCc2cccs2)c2c1CCC2 217905932 GQLLKJLDEYVDKJ-UHFFFAOYSA-N 370.478 3.475 70 40 FGIB Cc1c(Cl)cccc1S(=O)(=O)Nc1cnn(CC2CCOCC2)c1 218243374 SYMZAXVIUVOIRL-UHFFFAOYSA-N 369.874 3.072 70 40 FGIB Cc1cccc(-c2noc(CNC(=O)[C@H](C)Oc3ccc(F)cc3)n2)c1 218704625 RZIFFYGMUYXTSY-ZDUSSCGKSA-N 355.369 3.268 70 40 FGIB CCOc1ccc(-c2noc(C(F)(F)F)n2)cc1S(=O)(=O)Cl 100004411 HAIOUIMMGCGXMB-UHFFFAOYSA-N 356.709 3.082 70 40 FGIB COc1ccccc1OCC(=O)NCc1ccc(OC(C)C)c(OC)c1 217945258 ZLUUASKJOUFDEL-UHFFFAOYSA-N 359.422 3.186 70 40 FGIB CC(C)Oc1cccc(CCCNC(=O)[C@H]2COc3ccccc3O2)c1 218298366 QMGWHUNHPRRDBL-HXUWFJFHSA-N 355.434 3.363 70 40 FGIB COc1ccc(S(=O)(=O)Cl)cc1CNC(=O)c1ccccc1Cl 100027163 FSAXXGIJUOSXJO-UHFFFAOYSA-N 374.245 3.206 70 40 FGIB COc1cccc(-c2noc(CN(C)C(=O)CSc3ccccc3)n2)c1 217974476 ZAPUWNMPPGYVPG-UHFFFAOYSA-N 369.446 3.496 70 40 FGIB