smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=S(=O)(F)c1ccc(Cl)c(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 587178039 MTCUMXQRXSEKMG-UHFFFAOYSA-N 446.731 5.579 70 1 IKIF CC(C)OC(=O)CCC/C=C\C[C@@H]1[C@@H](c2ccc(C(C)(C)CO)cc2)[C@H](O)C[C@H]1Cl 144583664 HRJXVMBTNLNPGD-OOJMHRRQSA-N 437.020 5.097 70 1 IKIF CCCCC[C@H](O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCC(=O)OC)s1 117759630 JOKHUGGYPJWGKH-WCIQWLHISA-N 429.066 6.976 70 1 IKIF CCCc1c(O)ccc2c1O[C@](CC)(c1ccc(Cl)c(S(=O)(=O)Cl)c1)CC2=O 587485014 ISAQBGDLIHQTBJ-FQEVSTJZSA-N 443.348 5.196 70 1 IKIF O=C(NC[C@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)nc1)c1cccc(F)c1Cl 217377559 KKBNARFTTXJMAY-MRXNPFEDSA-N 440.799 5.594 70 1 IKIF O=C(c1ccccc1)c1ccc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2c1 586928271 SXLMVBFHZKQPOU-UHFFFAOYSA-N 431.300 5.042 70 1 IKIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c1Cl 586929001 ONPNZBBVJFTIPU-UHFFFAOYSA-N 447.343 5.698 70 1 IKIF COC(=O)CCCCCC[C@@H]1[C@@H](c2ccc(CC3CCCCC3)cc2)[C@H](O)C[C@H]1Cl 145149838 BELBFBSHUITIAA-POMLREGLSA-N 435.048 6.395 70 1 IKIF O=S(=O)(Cl)c1cc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)ccc1Cl 586926128 HQDVZRUYCOVJKD-UHFFFAOYSA-N 433.316 5.390 70 1 IKIF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1ccccc1)c1cccc(S(=O)(=O)Cl)c1 963230279 PDBOUDISGIZGLP-CLOONOSVSA-N 440.008 5.563 70 1 IKIF Cc1cc(C)c2[nH]c(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)nc2c1 586927444 YTPXXSJUULAAPN-UHFFFAOYSA-N 434.142 5.190 70 1 IKIF O=C(NC[C@@H](CC1(C(F)F)CC1)c1ccc(C2CC2)nc1)c1cccc(Cl)c1Cl 217365486 OLJZHLVOYTZYEL-OAHLLOKOSA-N 439.333 6.215 70 1 IKIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1Cl 586927466 ZCZLLLRCBAQWGA-UHFFFAOYSA-N 443.661 5.791 70 1 IKIF CCc1ccc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1S(=O)(=O)Cl 586927759 REWVPQNFAYPUPQ-UHFFFAOYSA-N 427.913 5.094 70 1 IKIF Cc1c(Br)cc2nc(-c3ccc(S(=O)(=O)Cl)c(Cl)c3)[nH]c2c1C 586928339 XSTMNADCKAFVNM-UHFFFAOYSA-N 434.142 5.190 70 1 IKIF O=S(=O)(Cl)c1cc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)ccc1Cl 586926071 GGDTZQBIXHFPEW-UHFFFAOYSA-N 435.357 5.962 70 1 IKIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1Cl 586929407 VAJDAWJRBCHGSQ-UHFFFAOYSA-N 443.315 5.216 70 1 IKIF O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cccc(C(F)(F)F)c3[nH]2)c1Cl 586926190 OKGLIMBKPLCBKM-UHFFFAOYSA-N 429.634 5.483 70 1 IKIF Nc1ccc(Oc2ccc3nc(-c4ccc(Cl)c(S(=O)(=O)Cl)c4)[nH]c3c2)cc1 586927615 PDPPBSIJOLPDJS-UHFFFAOYSA-N 434.304 5.185 70 1 IKIF CC[C@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)c2c(F)cccc2C[C@@H]2CCCN21 963096351 DIWGESMONNZMCO-YWZLYKJASA-N 428.356 5.081 70 1 IKIF O=C(NC[C@@H](CC1(F)CC1)c1ccc(C(F)(F)F)nc1)c1cccc(Cl)c1Cl 217371517 GMIPPRWGZBHFPU-GFCCVEGCSA-N 435.248 5.813 70 1 IKIF COc1cccc(-c2cc(-c3ccc(S(=O)(=O)Cl)cc3)nc3c2oc2ccccc23)c1 587364726 GWHICZZSJHWCNF-UHFFFAOYSA-N 449.915 6.251 70 1 IKIF CCc1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2c1 586927107 UZQZVXANTMMNPN-UHFFFAOYSA-N 434.142 5.136 70 1 IKIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1Cl 586928557 CQOWFRSPYKWUKQ-UHFFFAOYSA-N 449.384 6.270 70 1 IKIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1Cl 586929000 OMYODKAOTWPNHZ-UHFFFAOYSA-N 447.343 5.698 70 1 IKIF COc1cccc(C(=O)NCC2(c3ccc(C(F)(F)F)nc3)CCC(F)(F)CC2)c1C 217362921 RPAIGIKQGNSHLG-UHFFFAOYSA-N 442.428 5.295 70 1 IKIF O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1Cl 586925614 HLPZEEHSRVQEIA-UHFFFAOYSA-N 447.624 5.622 70 1 IKIF O=S(=O)(F)c1ccc(Cl)c(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 587178078 OWRMNKFYNPNTBR-UHFFFAOYSA-N 429.178 5.094 70 1 IKIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(F)cc(Br)c3[nH]2)c1Cl 586925823 BIJUPQFWFZYJSQ-UHFFFAOYSA-N 438.105 5.021 70 1 IKIF COc1ccc(Cl)cc1C#Cc1cc(S(=O)(=O)Cl)ccc1Oc1ccccc1 587918201 GJCVNXUHUHOLPV-UHFFFAOYSA-N 433.312 5.468 70 1 IKIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(Br)cc(F)c3[nH]2)c1Cl 586926693 OERZMYRYWCKSAL-UHFFFAOYSA-N 438.105 5.021 70 1 IKIF CCc1ccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)cc1S(=O)(=O)Cl 586927121 JGEKRCPANPCZLU-UHFFFAOYSA-N 434.142 5.136 70 1 IKIF Cc1cc(-c2nc3cc(-c4nc5ccccc5s4)ccc3[nH]2)ccc1S(=O)(=O)Cl 586928292 UYJZOCCNQHGFJT-UHFFFAOYSA-N 439.949 5.743 70 1 IKIF C=Cc1cc(-c2ccccn2)nc(-c2cccc(-c3cc(C)cc(-c4ccccn4)n3)n2)c1 218569435 QEMZMLRKWROFRV-UHFFFAOYSA-N 427.511 6.281 70 1 IKIF Cc1cc(=O)oc2cc(-c3ccc(C(C)(C)C)cc3)c(OS(=O)(=O)C(F)(F)F)cc12 1772617728 PPYLKFHDOJEHRE-UHFFFAOYSA-N 440.439 5.294 70 1 IKIF Cc1cccc(C(=O)NCC2(c3ccc(C(F)(F)F)nc3)CCC(F)(F)CC2)c1Cl 217363350 PBSNBSQTMXQVPW-UHFFFAOYSA-N 446.847 5.939 70 1 IKIF Nc1ccc(Oc2ccc3nc(-c4ccc(S(=O)(=O)Cl)c(Cl)c4)[nH]c3c2)cc1 586928151 QFNWJAOZUNTAGS-UHFFFAOYSA-N 434.304 5.185 70 1 IKIF Cc1ccc2c3c(c4c(nc13)-c1cc(S(=O)(=O)Cl)ccc1C4)-c1ccccc1C2=O 587101361 FQHYOIPXJUUUDQ-UHFFFAOYSA-N 431.900 5.253 70 1 IKIF COc1ccc(Cl)cc1C#Cc1ccc(-c2ccc(S(=O)(=O)Cl)cc2)c(F)c1 587916231 GSINOZBEVQDPCV-UHFFFAOYSA-N 435.303 5.482 70 1 IKIF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(c1ccccc1)c1cccc(S(=O)(=O)Cl)c1 963230288 PDBOUDISGIZGLP-UQBPGWFLSA-N 440.008 5.563 70 1 IKIF O=C(NCC1(c2ccc(C(F)(F)F)nc2)CCC(F)(F)CC1)c1ccccc1Cl 217383329 FNNMLSLAWOXSFS-UHFFFAOYSA-N 432.820 5.631 70 1 IKIF COc1ccc(Cl)cc1C#Cc1ccc2cc(OS(=O)(=O)C(F)(F)F)ccc2c1 587915082 RUQRXDAKXPVDAD-UHFFFAOYSA-N 440.826 5.130 70 1 IKIF CC[C@@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)c2c(F)cccc2C[C@H]2CCCN21 963096338 DIWGESMONNZMCO-FOIQADDNSA-N 428.356 5.081 70 1 IKIF CC[C@@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587529679 CILDCEGQOVIGKM-NRFANRHFSA-N 439.360 5.417 70 1 IKIF O=S(=O)(Cl)c1cc(-c2nc3cc(Cl)cc(Br)c3[nH]2)ccc1Cl 586927631 PNTYGVRLXYWSQK-UHFFFAOYSA-N 440.533 5.227 70 1 IKIF Cc1ncc([C@@H](CNC(=O)c2cccc(Cl)c2Cl)C2CCC(F)(F)CC2)cn1 217374329 LFVFUUBRPMCKGZ-INIZCTEOSA-N 428.310 5.431 70 1 IKIF CCCC1([C@@H](O)c2ccc([C@H]3[C@H](O)C[C@@H](Cl)[C@@H]3C/C=C\CCCC(=O)O)cc2)CCC1 137010414 ILHOKXFOVAGWCG-KDCANDRWSA-N 449.031 5.963 70 1 IKIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1Cl 586926581 MYRAYOLQHSCRQK-UHFFFAOYSA-N 427.206 5.277 70 1 IKIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1Cl 586928533 BYGSXXYMQAALMQ-UHFFFAOYSA-N 443.315 5.216 70 1 IKIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1Cl 586927279 VUUWRBLZOVMNOU-UHFFFAOYSA-N 425.215 5.018 70 1 IKIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(F)c(Br)c3[nH]2)c1Cl 586927446 YWBBSBXYSUVAMO-UHFFFAOYSA-N 438.105 5.021 70 1 IKIF O=S(=O)(Cl)c1ccc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1Cl 586927403 MGHKCMASUSRSRM-UHFFFAOYSA-N 435.357 5.962 70 1 IKIF CCCCCCCCCCC[C@@H]1C[C@@H]1CCCCC(=O)On1nnc2ccccc2c1=O 1857767074 LFXWVXWQZVVQMR-YADHBBJMSA-N 441.616 5.864 70 1 IKIF C[C@H](Nc1ncc(F)c(N2C(=O)OCC23CCCC3)n1)c1ccc(Oc2ccccc2)cc1 218481948 CXOSLOJKAMXJKJ-KRWDZBQOSA-N 448.498 5.851 70 1 IKIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(Br)c(C)c(C)c3[nH]2)c1Cl 586926143 HULGKHSUIXAVCV-UHFFFAOYSA-N 448.169 5.499 70 1 IKIF CCCC1([C@H](O)c2ccc([C@H]3[C@H](O)C[C@@H](Cl)[C@@H]3C/C=C\CCCC(=O)O)cc2)CCC1 137010367 ILHOKXFOVAGWCG-BEKRVPLPSA-N 449.031 5.963 70 1 IKIF Cc1cc(C)c(B(c2c(C)cc(C)cc2C)N(CC(F)(F)F)c2ccc(O)cc2)c(C)c1 195359629 DWBQXWOHSLDMOS-UHFFFAOYSA-N 439.330 5.417 70 1 IKIF in-vitro COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 586925512 RYTIJXQVARHNRZ-UHFFFAOYSA-N 426.108 5.126 70 1 IKIF COc1cc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2cc1Cl 586927203 VSKANDXNMJDCGA-UHFFFAOYSA-N 426.108 5.126 70 1 IKIF O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c1Cl 586927345 XBVLLWWVRSUUDL-UHFFFAOYSA-N 431.515 5.166 70 1 IKIF O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c1Cl 586926684 SPLLZJRCSPHKSX-UHFFFAOYSA-N 432.062 5.396 70 1 IKIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1Cl 586928779 ITSZGXOOSGIUBJ-UHFFFAOYSA-N 441.339 6.426 70 1 IKIF O=S(=O)(Cl)c1ccc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1Cl 586927745 JVHDSUQRHHSRRM-UHFFFAOYSA-N 445.633 5.363 70 1 IKIF O=[N+]([O-])c1cc2nc(-c3c(Cl)ccc(S(=O)(=O)Cl)c3Cl)[nH]c2cc1Cl 586927334 XBORLESNGVTJIL-UHFFFAOYSA-N 441.079 5.026 70 1 IKIF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc(S(=O)(=O)Cl)ccc1CC3 587208980 IINGIKBEEUORGB-UHFFFAOYSA-N 431.900 5.139 70 1 IKIF Cc1cc(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)ccc1S(=O)(=O)Cl 586927484 FSRNTFGHUSBLDP-UHFFFAOYSA-N 425.215 5.018 70 1 IKIF Cc1ccc(C)c2[nH]c(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)nc12 586927050 UAQMKYZMUCIUCO-UHFFFAOYSA-N 434.142 5.190 70 1 IKIF CCc1ccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)cc1S(=O)(=O)Cl 586928080 YCRJMQJARTYFTH-UHFFFAOYSA-N 434.142 5.136 70 1 IKIF CC[C@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)c2c(F)cccc2C[C@H]2CCCN21 963096349 DIWGESMONNZMCO-QRWLVFNGSA-N 428.356 5.081 70 1 IKIF O=C1c2ccccc2-c2cc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)nc3cccc1c23 587208552 BPUOSECSCUGZDP-UHFFFAOYSA-N 440.307 5.694 70 1 IKIF O=C1c2ccccc2-c2cc(-c3cc(S(=O)(=O)Cl)ccc3Cl)nc3cccc1c23 587208572 BWVKUYKPYPKPJE-UHFFFAOYSA-N 440.307 5.694 70 1 IKIF O=C(NC[C@H](c1ccncc1)c1ccc(C(F)(F)F)nc1)c1cccc(Cl)c1Cl 217378709 OFJHIHUNMRECFF-OAHLLOKOSA-N 440.252 5.364 70 1 IKIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)c1Cl 586926093 GPQUPAVDTVMZQJ-UHFFFAOYSA-N 434.226 5.010 70 1 IKIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1Cl 586925986 CORFUPRHXKZPAP-UHFFFAOYSA-N 425.215 5.018 70 1 IKIF C[C@@]1(c2cc(S(=O)(=O)Cl)ccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587532104 MXSNCLWGGUCORW-FQEVSTJZSA-N 425.333 5.027 70 1 IKIF CCc1ccc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1S(=O)(=O)Cl 586927843 SKQJZNNSUPEYLB-UHFFFAOYSA-N 428.966 5.871 70 1 IKIF O=C(O)CCCCCC[C@@H]1[C@@H](c2ccc([C@@H](O)C3CCCCC3)cc2)[C@H](O)C[C@H]1Cl 137011419 RRVFTYQAYUKSPL-YQSOIZMPSA-N 437.020 5.797 70 1 IKIF O=S(=O)(Cl)c1cc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)ccc1Cl 586925841 BQMFDULEOUQPDU-UHFFFAOYSA-N 427.312 6.117 70 1 IKIF O=S(=O)(Cl)c1ccc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1Cl 586927984 NDUHURJOPBAGJA-UHFFFAOYSA-N 433.316 5.390 70 1 IKIF O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cccc(Br)c3[nH]2)c1Cl 586925540 GDDAMZXRKUREJA-UHFFFAOYSA-N 440.533 5.227 70 1 IKIF CCCCC[C@H](O)c1ccc([C@H]2[C@@H](Cl)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)cc1 144582633 ZZPVJHFTTJXWMD-NPBVCDPDSA-N 441.439 6.820 70 1 IKIF Cc1cc(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)ccc1S(=O)(=O)Cl 586927930 LJXGDQOWSGFFGO-UHFFFAOYSA-N 442.768 5.503 70 1 IKIF N#Cc1ccn2c(-c3ccccc3)c(-c3ccccc3)c(OS(=O)(=O)C(F)(F)F)c2c1 73195727 ISUQMUJWDCSSRJ-UHFFFAOYSA-N 442.418 5.373 70 1 IKIF O=S(=O)(Cl)c1cc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)ccc1Cl 586927595 OSYWKSQWUDHPDA-UHFFFAOYSA-N 429.634 5.483 70 1 IKIF CC/C(=C(/c1ccc(OCCN(C)C)cc1)c1ccc([B-](F)(F)F)cc1)c1ccccc1 195519076 XOGHAERSIJAXLY-QPLCGJKRSA-N 438.322 6.051 70 1 IKIF CCc1ccc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1S(=O)(=O)Cl 586926650 CIYRYBOZPGKNJQ-UHFFFAOYSA-N 426.925 5.299 70 1 IKIF O=S(=O)(F)c1ccc(Cl)c(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 587180910 PZZSUDHULYKZQD-UHFFFAOYSA-N 443.912 5.818 70 1 IKIF C[C@H](Nc1nccc(N2C(=O)OC[C@H]2c2ccccc2)n1)c1ccc(Cl)c(Cl)c1 218480818 QOGOAGWFCKVFDC-UGSOOPFHSA-N 429.307 5.654 70 1 IKIF O=C(O)CCC/C=C\C[C@@H]1[C@@H](c2ccc([C@H](O)C3CCCCC3)cc2)[C@H](O)C[C@H]1Cl 137011177 SNNNCRUILASWAJ-NJXQSUNKSA-N 435.004 5.573 70 1 IKIF C=CCc1cccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c12 586926532 LYLCXKBABFIVEA-UHFFFAOYSA-N 446.153 5.302 70 1 IKIF CC[C@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587529682 CILDCEGQOVIGKM-OAQYLSRUSA-N 439.360 5.417 70 1 IKIF O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1Cl 586926125 NEOHQLONCZIKPI-UHFFFAOYSA-N 430.527 5.771 70 1 IKIF Cc1ccc(F)cc1C(=O)NCC1(c2ccc(C(F)(F)F)nc2)CCC(F)(F)CC1 217363048 LIRMYBGTDCITMU-UHFFFAOYSA-N 430.392 5.425 70 1 IKIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 586924331 AYZSPHPIMOXISG-UHFFFAOYSA-N 449.315 5.612 70 1 IKIF O=C(NC[C@H](c1cnc(C(F)(F)F)nc1)C1CCC(F)(F)CC1)c1ccccc1Cl 217379875 AKKNTLAHCTWLLO-HNNXBMFYSA-N 447.835 5.488 70 1 IKIF CCCN1[C@@H](C)Cc2ccccc2[C@]1(c1ccccc1)c1cccc(S(=O)(=O)Cl)c1 963230282 PDBOUDISGIZGLP-DFBJGRDBSA-N 440.008 5.563 70 1 IKIF C[C@@H](Nc1nccc(N2C(=O)OC[C@H]2c2ccccc2)n1)c1ccc(Cl)c(Cl)c1 218480756 QOGOAGWFCKVFDC-ACJLOTCBSA-N 429.307 5.654 70 1 IKIF O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1Cl 586925224 DAWJZMGYTKTCKE-UHFFFAOYSA-N 445.633 5.363 70 1 IKIF O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3cccc(Cl)c3[nH]2)c1 586927550 ZWGLBIVXMAUTRR-UHFFFAOYSA-N 440.533 5.227 70 1 IKIF Cc1ccc(S(=O)(=O)Cl)cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586992954 BXOYCEXDNCAHAJ-UHFFFAOYSA-N 435.888 5.055 70 1 IKIF O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1Cl 586927347 XDAVPWRBPURZPQ-UHFFFAOYSA-N 433.597 5.021 70 1 IKIF Cc1cc2c(cc1F)[C@@](c1c[nH]c(C(=O)N=[N+]=[N-])c1)(c1ccc(Cl)cc1Cl)NCC2 962300752 QAKXCIMGSKTLPD-OAQYLSRUSA-N 444.297 5.657 70 1 IKIF CCCCC[C@@H](O)c1ccc([C@H]2CC[C@@H](Cl)[C@@H]2CCCCCCC(=O)OC)s1 117759628 JOKHUGGYPJWGKH-IYWMVGAKSA-N 429.066 6.976 70 1 IKIF Cc1c(Br)cc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2c1C 586926630 CAELQJJKFDKRNE-UHFFFAOYSA-N 434.142 5.190 70 1 IKIF Cc1ccc2c3c(c4c(nc13)[C@@]1(CS(=O)(=O)F)CC[C@H]4C1(C)C)-c1ccccc1C2=O 586997502 SCSUNZNWSATHTJ-NSYGIPOTSA-N 435.520 5.209 70 1 IKIF COc1cccc(-c2cc(-c3cccc(S(=O)(=O)Cl)c3)nc3c2oc2ccccc23)c1 587367141 ZFDRHDCDBFOVCQ-UHFFFAOYSA-N 449.915 6.251 70 1 IKIF Cc1cc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2cc1F 586926787 QFFOGJMBIUMOKF-UHFFFAOYSA-N 438.105 5.021 70 1 IKIF Cc1cc(-c2nc3cc(Br)c(OC(C)C)cc3[nH]2)ccc1S(=O)(=O)Cl 586928025 NXRPLQDHWFZDOQ-UHFFFAOYSA-N 443.750 5.016 70 1 IKIF CCCOc1cc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2cc1Br 587178025 MFKZWDOIAHGOTF-UHFFFAOYSA-N 447.713 5.093 70 1 IKIF O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1cccc(C(F)(F)F)c1 141240503 BMXRYHWPISQAHK-UHFFFAOYSA-N 448.424 5.684 70 1 IKIF Cc1c(F)ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c12 586926838 QYKHPLGCHQIMSZ-UHFFFAOYSA-N 438.105 5.021 70 1 IKIF O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Cl)c(Cl)c1 215943929 IFCTYLDTQXMKQY-UHFFFAOYSA-N 449.317 5.972 70 1 IKIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1Cl 586927042 TZJNKKJHINCERV-UHFFFAOYSA-N 427.206 5.277 70 1 IKIF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1ccccc1)c1cccc(S(=O)(=O)Cl)c1 963230286 PDBOUDISGIZGLP-KBMIEXCESA-N 440.008 5.563 70 1 IKIF COc1cccc(-c2cc(-c3ccc(S(=O)(=O)F)cc3)nc3c2oc2ccccc23)c1 587361321 XHONRIQMHMQEDR-UHFFFAOYSA-N 433.460 5.982 70 1 IKIF O=C(NC[C@@H](c1cnc(C(F)(F)F)nc1)C1CCC(F)(F)CC1)c1ccccc1Cl 217379781 AKKNTLAHCTWLLO-OAHLLOKOSA-N 447.835 5.488 70 1 IKIF CCCCCCCCCCC[C@@H]1C[C@H]1CCCCC(=O)On1nnc2ccccc2c1=O 1857767072 LFXWVXWQZVVQMR-FGZHOGPDSA-N 441.616 5.864 70 1 IKIF O=C(NC[C@H](CC1(C(F)F)CC1)c1ccc(C2CC2)nc1)c1cccc(Cl)c1Cl 217365565 OLJZHLVOYTZYEL-HNNXBMFYSA-N 439.333 6.215 70 1 IKIF Cc1cc2c(cc1F)[C@](c1c[nH]c(C(=O)N=[N+]=[N-])c1)(c1ccc(Cl)cc1Cl)NCC2 962300732 QAKXCIMGSKTLPD-NRFANRHFSA-N 444.297 5.657 70 1 IKIF CCCC1([C@@H](O)c2cccc([C@H]3[C@H](O)C[C@@H](Cl)[C@@H]3C/C=C\CCCC(=O)O)c2)CCC1 137010238 NJOXKYGJCYOIRG-KDCANDRWSA-N 449.031 5.963 70 1 IKIF O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1Cl 586925062 CBYQHRMQVXLJJS-UHFFFAOYSA-N 429.634 5.483 70 1 IKIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(Br)c(F)cc3[nH]2)c1Cl 586926590 NBOUXDOORVJXEZ-UHFFFAOYSA-N 438.105 5.021 70 1 IKIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1Cl 586927261 VRAJIAXPVFPRIM-UHFFFAOYSA-N 443.661 5.791 70 1 IKIF CCCOc1cc2[nH]c(-c3ccc(S(=O)(=O)Cl)c(C)c3)nc2cc1Br 586928066 PCPPJEQLXPMRMG-UHFFFAOYSA-N 443.750 5.017 70 1 IKIF O=S(=O)(F)c1ccc(Cl)c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587178276 YNCSAJVVZXKJFJ-UHFFFAOYSA-N 436.786 6.199 70 1 IKIF O=S(=O)(Cl)c1cc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)ccc1Cl 586926810 FZVHVBDEGMSAAY-UHFFFAOYSA-N 433.316 5.390 70 1 IKIF O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c1Cl 586927370 XKJCYESYMFQLAI-UHFFFAOYSA-N 431.515 5.166 70 1 IKIF Cc1cc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2cc1C 586926560 MHLQULVFFQCJIY-UHFFFAOYSA-N 434.142 5.190 70 1 IKIF Cc1cc(F)c2[nH]c(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)nc2c1 586926016 DNAHPJAYRALQQH-UHFFFAOYSA-N 438.105 5.021 70 1 IKIF O=C(NC[C@@H](c1ccncc1)c1ccc(C(F)(F)F)nc1)c1cccc(Cl)c1Cl 217378634 OFJHIHUNMRECFF-HNNXBMFYSA-N 440.252 5.364 70 1 IKIF CCc1ccc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1S(=O)(=O)Cl 586926775 FKOMQMJEBNACDG-UHFFFAOYSA-N 439.242 5.272 70 1 IKIF Cc1cc(Br)c2[nH]c(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)nc2c1 586926496 LPSNVQTXHHLBGA-UHFFFAOYSA-N 434.142 5.190 70 1 IKIF Cc1ccc2c3c(c4c(nc13)-c1cc(S(=O)(=O)Cl)ccc1CC4)-c1ccccc1C2=O 587102031 LGHIOOLVRBOUFQ-UHFFFAOYSA-N 445.927 5.448 70 1 IKIF CCCCCN(B(c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C)c1ccc(O)cc1 195209640 AILCAEHCLOLUNL-UHFFFAOYSA-N 427.441 6.045 70 1 IKIF Cc1c(-c2cccc(S(=O)(=O)Cl)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586994177 OSKFSTMXUOWWGR-UHFFFAOYSA-N 435.888 5.055 70 1 IKIF O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1Cl 586925624 HRTXXOPVUHMNKK-UHFFFAOYSA-N 447.624 5.622 70 1 IKIF CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Cl)c1nc3cccc4c3c(c12)-c1ccccc1C4=O 587208946 HCDXUEINRZBLKE-UPCLLVRISA-N 437.948 5.170 70 1 IKIF C/C=C/C/C(C)=C\[C@H]1C/C=C/C=C/C[C@H](C)/C=C(\C)[C@@H](OC)C/C=C/[C@@H](O)CC(=O)O1 217014369 DVYYXLNVAXSASA-BEVCVMOBSA-N 428.613 6.012 70 1 IKIF in-vitro O=S(=O)(Cl)c1ccc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1Cl 586928052 ORJRTBKBYHSBQP-UHFFFAOYSA-N 429.634 5.483 70 1 IKIF O=S(=O)(Cl)c1cc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)ccc1Cl 586927527 OIZZJEJMRRNOLU-UHFFFAOYSA-N 427.256 5.423 70 1 IKIF CCCCC[C@@H](O)c1ccc([C@H]2[C@@H](Cl)C[C@@H](Cl)[C@@H]2C/C=C\CCCC(=O)O)cc1 144108145 ZZPVJHFTTJXWMD-MBGQFMDASA-N 441.439 6.820 70 1 IKIF O=C(NC[C@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)nc1)c1c(F)cccc1Cl 217377733 YNBZNFYYKCARHA-OAHLLOKOSA-N 440.799 5.594 70 1 IKIF CCc1ccc(-c2nc3cc(Br)c(C)c(C)c3[nH]2)cc1S(=O)(=O)Cl 586926467 AIYCOVMGBBTHFT-UHFFFAOYSA-N 427.751 5.099 70 1 IKIF Cc1ccc2c(ccc3nc(-c4c(Cl)ccc(S(=O)(=O)Cl)c4Cl)[nH]c32)n1 586926060 LEQBSNRBTNYJOL-UHFFFAOYSA-N 426.712 5.321 70 1 IKIF C[C@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587531686 KWDDFTAIKJSAHK-HXUWFJFHSA-N 425.333 5.027 70 1 IKIF O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)C12CC3CC(CC(C3)C1)C2 73402443 WQTBBVKWMRCLSL-UHFFFAOYSA-N 438.551 5.568 70 1 IKIF Cc1ccc(S(=O)(=O)Cl)cc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587102945 STKOECFMBAUYFL-UHFFFAOYSA-N 433.916 5.658 70 1 IKIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3cc(Br)cc(C)c3[nH]2)c1Cl 586925958 CFWLVJHDULBZFV-UHFFFAOYSA-N 434.142 5.190 70 1 IKIF COc1cc(S(=O)(=O)Cl)c(Cl)cc1-c1nc2cc(Cl)cc(Cl)c2[nH]1 586925316 OHZJHBGXWPRPBX-UHFFFAOYSA-N 426.108 5.126 70 1 IKIF O=S(=O)(Cl)c1cc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)ccc1Cl 586927978 VHVOAXRCSTVDKN-UHFFFAOYSA-N 429.634 5.483 70 1 IKIF O=S(=O)(Cl)c1cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)ccc1Cl 586927612 PCFDEOLPSQMZDK-UHFFFAOYSA-N 440.533 5.227 70 1 IKIF Cc1ncc([C@@H](CNC(=O)c2cccc(Cl)c2Cl)CC2(C(F)(F)F)CC2)cn1 217364618 SVXAGFVIOFXJNP-GFCCVEGCSA-N 432.273 5.338 70 1 IKIF O=C(NC[C@H](c1ccccc1)c1ccc(C(F)(F)F)nc1)c1ccc(Cl)cc1Cl 217384922 NBTYBSNXBADVPU-QGZVFWFLSA-N 439.264 5.969 70 1 IKIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1Cl 586926037 FVVBRGIDDABVPR-UHFFFAOYSA-N 441.283 5.731 70 1 IKIF O=C(O)CCC/C=C\C[C@@H]1[C@@H](c2ccc([C@@H](O)C3CCCCC3)cc2)[C@H](O)C[C@H]1Cl 137011225 SNNNCRUILASWAJ-ZCUMCHIASA-N 435.004 5.573 70 1 IKIF CCCCCCCCCCC[C@H]1C[C@@H]1CCCCC(=O)On1nnc2ccccc2c1=O 1857767073 LFXWVXWQZVVQMR-VXKWHMMOSA-N 441.616 5.864 70 1 IKIF O=S(=O)(Cl)c1ccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)cc1Cl 586928356 YKGGXGIFLGXUMU-UHFFFAOYSA-N 440.533 5.227 70 1 IKIF CC(C)[C@@H]1CC=C[C@@H]2[C@@H]3[C@](C)(O)CC[C@H](Br)[C@]3(C)CC[C@]12CBr 1617486 ZMLPTEUWDOZWSU-JIWXIQHESA-N 448.283 5.941 70 1 IKIF biogenic CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc(Cl)c(S(=O)(=O)Cl)c1)CC2=O 587485018 ISAQBGDLIHQTBJ-HXUWFJFHSA-N 443.348 5.196 70 1 IKIF C[C@]1(c2cc(S(=O)(=O)Cl)ccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587532105 MXSNCLWGGUCORW-HXUWFJFHSA-N 425.333 5.027 70 1 IKIF O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c1Cl 586926499 PWXGWHMHSAZZTD-UHFFFAOYSA-N 431.515 5.166 70 1 IKIF Cc1cc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)ccc1S(=O)(=O)Cl 586928366 YNMKCINGLALTGY-UHFFFAOYSA-N 432.823 6.123 70 1 IKIF CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Cl)c1nc3cccc4c3c(c12)-c1ccccc1C4=O 587208945 HCDXUEINRZBLKE-FYSMJZIKSA-N 437.948 5.170 70 1 IKIF O=C(O)CCCCCC[C@@H]1[C@@H](c2ccc([C@H](O)C3CCCCC3)cc2)[C@H](O)C[C@H]1Cl 137011377 RRVFTYQAYUKSPL-FSHOYSFVSA-N 437.020 5.797 70 1 IKIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(Br)c(C)c3[nH]2)c1Cl 586926579 MYCFSWRHEFLSDH-UHFFFAOYSA-N 434.142 5.190 70 1 IKIF Cc1ccc2nc(-c3cc(S(=O)(=O)Cl)cc(Br)c3Cl)[nH]c2c1C 586926568 MNKPAFIOLLKBDJ-UHFFFAOYSA-N 434.142 5.190 70 1 IKIF O=S(=O)(Cl)c1ccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)cc1Cl 586928374 YTOWNJTVVFIVLK-UHFFFAOYSA-N 440.533 5.227 70 1 IKIF CCc1ccc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1S(=O)(=O)Cl 586927375 LUNGOTBHFZDKOK-UHFFFAOYSA-N 426.925 5.299 70 1 IKIF O=C(NC[C@H](CC1(F)CC1)c1ccc(C(F)(F)F)nc1)c1cccc(Cl)c1Cl 217371595 GMIPPRWGZBHFPU-LBPRGKRZSA-N 435.248 5.813 70 1 IKIF O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c1Cl 586925357 DUIONZJZWPRWJD-UHFFFAOYSA-N 431.515 5.166 70 1 IKIF CCc1ccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1S(=O)(=O)Cl 586927879 SWBWYVNWBPRNHH-UHFFFAOYSA-N 446.850 6.377 70 1 IKIF O=S(=O)(Cl)c1ccc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1Cl 586927127 CUDGMZDROJOYGT-UHFFFAOYSA-N 429.634 5.483 70 1 IKIF O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c1Cl 586925018 BLSKPMCLGVFZJO-UHFFFAOYSA-N 430.527 5.771 70 1 IKIF O=S(=O)(Cl)c1ccc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1Cl 586927201 DLORJJZVGHXXSX-UHFFFAOYSA-N 433.316 5.390 70 1 IKIF CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Cl)c1nc3cccc4c3c(c12)-c1ccccc1C4=O 587208947 HCDXUEINRZBLKE-VOIUYBSRSA-N 437.948 5.170 70 1 IKIF Cc1cc2nc(-c3cc(S(=O)(=O)Cl)cc(C)c3Cl)[nH]c2cc1Br 586925838 BQICFCOAQZSJHB-UHFFFAOYSA-N 434.142 5.190 70 1 IKIF CC(C)Oc1cc2nc(-c3cc(S(=O)(=O)F)ccc3Cl)[nH]c2cc1Br 587177888 DYQGSYCFMQLUHI-UHFFFAOYSA-N 447.713 5.091 70 1 IKIF O=CNc1ccc(COc2c(C3CCC3)ccc(-c3cnc4c(c3)OCCN4)c2F)cc1 218399935 POVIZUUIOYCXEW-UHFFFAOYSA-N 433.483 5.107 70 1 IKIF C[C@@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587531684 KWDDFTAIKJSAHK-FQEVSTJZSA-N 425.333 5.027 70 1 IKIF COc1ccc(C2(CNC(=O)c3cccc(Cl)c3Cl)CCC(F)(F)CC2)cn1 217361631 KQXQMXLYWFOMLN-UHFFFAOYSA-N 429.294 5.274 70 1 IKIF O=C(NC[C@@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)nc1)c1c(F)cccc1Cl 217377651 YNBZNFYYKCARHA-HNNXBMFYSA-N 440.799 5.594 70 1 IKIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1Cl 586928653 GITMHGYIDJXBTL-UHFFFAOYSA-N 448.331 5.494 70 1 IKIF CC(C)c1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)co1 217495949 GYGRAOHPQAELJF-OAHLLOKOSA-N 433.537 5.002 70 1 IKIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1Cl 586929017 PAFRDWXHJHVIQH-UHFFFAOYSA-N 445.327 5.350 70 1 IKIF O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3ccc(Br)cc3[nH]2)c1Cl 586926546 QWYRXHWRWPXNQB-UHFFFAOYSA-N 440.533 5.227 70 1 IKIF Cc1ncc([C@H](CNC(=O)c2cccc(Cl)c2Cl)C2CCC(F)(F)CC2)cn1 217374408 LFVFUUBRPMCKGZ-MRXNPFEDSA-N 428.310 5.431 70 1 IKIF Cc1c(F)cccc1C(=O)NCC1(c2ccc(C(F)(F)F)nc2)CCC(F)(F)CC1 217362812 RYQGLJRJOOJJSD-UHFFFAOYSA-N 430.392 5.425 70 1 IKIF O=C(NC[C@@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)nc1)c1cccc(F)c1Cl 217377479 KKBNARFTTXJMAY-INIZCTEOSA-N 440.799 5.594 70 1 IKIF Cc1c(-c2cccc(S(=O)(=O)Cl)c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587102428 QRBRHZBTXDXEFW-UHFFFAOYSA-N 433.916 5.658 70 1 IKIF Cc1ncc([C@H](CNC(=O)c2cccc(Cl)c2Cl)CC2(C(F)(F)F)CC2)cn1 217364534 SVXAGFVIOFXJNP-LBPRGKRZSA-N 432.273 5.338 70 1 IKIF CCCCCCCCCCC[C@H]1C[C@H]1CCCCC(=O)On1nnc2ccccc2c1=O 1857767071 LFXWVXWQZVVQMR-FCHUYYIVSA-N 441.616 5.864 70 1 IKIF CC[C@@]1(c2ccc(Cl)c(S(=O)(=O)Cl)c2)c2c(F)cccc2C[C@@H]2CCCN21 963096345 DIWGESMONNZMCO-MGPUTAFESA-N 428.356 5.081 70 1 IKIF O=S(=O)(Cl)c1ccc(Cl)c(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1Cl 586927379 XLZNCURFTHDUHB-UHFFFAOYSA-N 445.633 5.363 70 1 IKIF O=S(=O)(Cl)c1cc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)ccc1Cl 586927738 RAIAZJYWSAROLB-UHFFFAOYSA-N 445.633 5.363 70 1 IKIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(Br)c(F)c3[nH]2)c1Cl 586925848 BTHIYWKUULJKEK-UHFFFAOYSA-N 438.105 5.021 70 1 IKIF O=C(c1ccccc1)c1ccc2nc(-c3ccc(Cl)c(S(=O)(=O)Cl)c3)[nH]c2c1 586926535 BEOBDLYEXWOIPS-UHFFFAOYSA-N 431.300 5.042 70 1 IKIF COC(=O)CCCCCC[C@@H]1[C@@H](c2ccc([C@@H](O)C(C)(C)C)cc2)[C@H](O)C[C@H]1Cl 137014343 BEWXXKHHJWEQTD-DEFAWVEDSA-N 425.009 5.352 70 1 IKIF O=S(=O)(Cl)c1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1Cl 586927786 RQGVZLFAJTWJIE-UHFFFAOYSA-N 427.312 6.117 70 1 IKIF Cc1cc(S(=O)(=O)Cl)cc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1Cl 586929190 RDSCJABAANKUSK-UHFFFAOYSA-N 433.316 5.912 70 1 IKIF COC(=O)CCCCCC[C@@H]1[C@@H](c2ccc([C@H](O)C(C)(C)C)cc2)[C@H](O)C[C@H]1Cl 137014389 BEWXXKHHJWEQTD-XCWFNORRSA-N 425.009 5.352 70 1 IKIF O=C(NC[C@@H](c1ccccc1)c1ccc(C(F)(F)F)nc1)c1ccc(Cl)cc1Cl 217384990 NBTYBSNXBADVPU-KRWDZBQOSA-N 439.264 5.969 70 1 IKIF C(c1cc2c3c(cccc3n1)CC2)=P(c1ccccc1)(c1ccccc1)c1ccccc1 587217420 WAVKQGUDSCQGAJ-UHFFFAOYSA-N 429.503 5.478 70 1 IKIF O=S(=O)(Cl)c1ccc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1Cl 586927228 DTXDTEXKXUSCNZ-UHFFFAOYSA-N 427.256 5.423 70 1 IKIF O=C(NCC1(c2ccc(C3CC3)nc2)CCC(F)(F)CC1)c1cccc(Cl)c1Cl 217361424 WCWNDEUFIGSKNU-UHFFFAOYSA-N 439.333 6.143 70 1 IKIF O=S(=O)(Cl)c1cc(Br)c(Cl)c(-c2nc3ccc(Cl)cc3[nH]2)c1 586927306 WHYARFUMPJANKP-UHFFFAOYSA-N 440.533 5.227 70 1 IKIF