smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCCc1ccc(Cl)c(S(=O)(=O)Cl)c1 238852861 HLQSQWXPMRSGJG-UHFFFAOYSA-N 253.150 3.220 70 30 CGIC O=S(=O)(Cl)c1cccc(C(F)(F)C(F)(F)F)c1 950757576 WLFULFJADLDWNW-UHFFFAOYSA-N 294.628 3.268 70 30 CGIC N#Cc1ccc(Oc2ccc(S(=O)(=O)Cl)cc2)cc1 100603656 NPBRNBLZNUPDMG-UHFFFAOYSA-N 293.731 3.278 70 30 CGIC CC(C)c1ccc(Cl)c(S(=O)(=O)Cl)c1 238851161 FODYZJCRHYWTTJ-UHFFFAOYSA-N 253.150 3.391 70 30 CGIC Cc1csc(-c2ccc(S(=O)(=O)Cl)cc2)n1 107033791 PGZQTWHYNQZABA-UHFFFAOYSA-N 273.766 3.046 70 30 CGIC Cc1c(Cl)cc(S(=O)(=O)Cl)cc1Cl 100463445 OLFWFOJPCBLRSU-UHFFFAOYSA-N 259.541 3.229 70 30 CGIC Cc1csc(-c2cccc(S(=O)(=O)Cl)c2)n1 108209491 HWNHJFJAQSSLFN-UHFFFAOYSA-N 273.766 3.046 70 30 CGIC in-vitro O=S(=O)(Cl)c1ccc(C(F)(F)C(F)(F)F)cc1 113139112 FWCOQQSXZOXEKQ-UHFFFAOYSA-N 294.628 3.268 70 30 CGIC O=S(=O)(Cl)Cc1cc(Cl)sc1Cl 307169313 XULLXIIYAIGAHP-UHFFFAOYSA-N 265.570 3.124 70 30 CGIC O=S(=O)(Cl)c1cc(Cl)ccc1OCC1CCC1 100543995 OJWGNSIOXMZWRC-UHFFFAOYSA-N 295.187 3.446 70 30 CGIC in-vitro O=S(=O)(Cl)CC1(c2ccccc2)CCCC1 105435763 HXSRARWGAWNOGT-UHFFFAOYSA-N 258.770 3.067 70 30 CGIC O=S(=O)(Cl)c1cccc(Br)c1Cl 106944846 WYAWTPBJEYZNLB-UHFFFAOYSA-N 289.965 3.030 70 30 CGIC ClCCC[Si](Cl)(Cl)c1ccccc1 195764364 UWHAIVBRBAKZDT-UHFFFAOYSA-N 253.632 3.442 70 30 CGIC COc1ccc(S(=O)(=O)Cl)cc1-c1ccccc1 59093363 MFUAMHWSXWCKOD-UHFFFAOYSA-N 282.748 3.290 70 30 CGIC CC(C)(C)OC(=O)N1CC[C@@H](C[B-](F)(F)F)C1 238101331 ANLSYAOFZGJEGZ-QMMMGPOBSA-N 252.065 3.091 70 30 CGIC FC(F)(CCBr)CCBr 144989899 OXERXOYEIITXOH-UHFFFAOYSA-N 265.923 3.192 70 30 CGIC O=S(=O)(Cl)c1cc2cc(Cl)ccc2s1 59059902 BABMIQVTGOYKAZ-UHFFFAOYSA-N 267.158 3.482 70 30 CGIC in-vitro O=S(=O)(Cl)CCC1C2CC3CC(C2)CC1C3 216344122 AHRKTCVTEUZYPE-UHFFFAOYSA-N 262.802 3.017 70 30 CGIC Cc1sc2c(C)cccc2c1S(=O)(=O)Cl 100444788 VXBWPGNKBVFCRZ-UHFFFAOYSA-N 260.767 3.446 70 30 CGIC Cl[Si](Cl)(Cl)c1ccc(Br)cc1 195755736 WODNGFYRYQNMEO-UHFFFAOYSA-N 290.447 3.311 70 30 CGIC COP(=O)(OC)O[C@@H](Cl)C(Cl)(Cl)Cl 5998021 KWIDLTWZQJKRFD-GSVOUGTGSA-N 291.882 3.339 70 30 CGIC CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(O)cc1 218509792 ZMPIOHFSSXSERI-CYBMUJFWSA-N 263.337 3.464 70 30 CGIC O=S(=O)(Cl)c1cc(OC(F)(F)F)ccc1Cl 145299166 JGKVFWNIQYMJCN-UHFFFAOYSA-N 295.065 3.166 70 30 CGIC O=S(=O)(Cl)CC[C@H](c1ccccc1)C(F)(F)F 675050588 ZGCXUGAQGUMMLQ-SECBINFHSA-N 286.702 3.291 70 30 CGIC O=S(=O)(Cl)c1c(O)c(Cl)cc(Cl)c1Cl 215142371 DHRVZHRSNZSODS-UHFFFAOYSA-N 295.958 3.280 70 30 CGIC O=S(=O)(Cl)c1cc(Cl)ccc1OCC1CC1 88270576 NGDHGWUESHPVFZ-UHFFFAOYSA-N 281.160 3.056 70 30 CGIC in-vitro CC(C)c1ccc(S(=O)(=O)Cl)cc1Cl 218104688 NSRXBNMTRVTHNY-UHFFFAOYSA-N 253.150 3.391 70 30 CGIC CC(C)(C)OC(=O)N1CCC[C@H]([B-](F)(F)F)C1 238086422 GKMSWMZRFZDODK-QMMMGPOBSA-N 252.065 3.235 70 30 CGIC CC(C)(C)OC(=O)N1CC(C2CC2)([B-](F)(F)F)C1 2265383710 VQIIEDZOLBKTPJ-UHFFFAOYSA-N 264.076 3.235 70 30 CGIC CC(C)(C)OC(=O)N1CCC[C@@H](C[B-](F)(F)F)C1 238072391 ISFHIIGJDOPGRV-VIFPVBQESA-N 266.092 3.481 70 30 CGIC Cc1nc(-c2ccc(C)c(S(=O)(=O)Cl)c2)cs1 100104739 KBMVOJVCQBNXAA-UHFFFAOYSA-N 287.793 3.354 70 30 CGIC CC(C)(C)OC(=O)N1CCC(C[B-](F)(F)F)CC1 238150243 RHCZHSLRKSRVEQ-UHFFFAOYSA-N 266.092 3.481 70 30 CGIC CCCCCCCCOS(=O)(=O)C(F)(F)F 114811216 APYUCYRDBYSFAB-UHFFFAOYSA-N 262.293 3.213 70 30 CGIC COCc1c(F)c(F)c(CBr)c(F)c1F 117106184 ZTARHONQZINXLM-UHFFFAOYSA-N 287.050 3.284 70 30 CGIC CC(C)(C)OC(=O)N1CCC[C@H]1c1ccc(O)cc1 218509865 ZMPIOHFSSXSERI-ZDUSSCGKSA-N 263.337 3.464 70 30 CGIC COP(=O)(OC)O[C@H](Cl)C(Cl)(Cl)Cl 5998018 KWIDLTWZQJKRFD-VKHMYHEASA-N 291.882 3.339 70 30 CGIC O=S(=O)(Cl)c1c(Cl)ccc2c(Cl)ccnc12 100633040 POGIMPXCNBVRSI-UHFFFAOYSA-N 296.562 3.469 70 30 CGIC in-vitro O=S(=O)(Cl)c1cc(Cl)ccc1C(F)(F)F 217394149 DGJQWHLNRYBMOE-UHFFFAOYSA-N 279.066 3.286 70 30 CGIC in-vitro Cc1c(S(=O)(=O)Cl)sc2cc(F)ccc12 100445902 MFSLGSITXOAHGR-UHFFFAOYSA-N 264.730 3.276 70 30 CGIC in-vitro CCc1ccc(Cl)c(CC)c1S(=O)(=O)Cl 59222003 CUGBLMKRZZWLSG-UHFFFAOYSA-N 267.177 3.392 70 30 CGIC Cc1cccc(-c2nc(S(=O)(=O)Cl)cs2)c1 100623444 HRRBSOWSSRFYNK-UHFFFAOYSA-N 273.766 3.046 70 30 CGIC in-vitro O=S(=O)(Cl)CC[C@@H](c1ccccc1)C(F)(F)F 675050595 ZGCXUGAQGUMMLQ-VIFPVBQESA-N 286.702 3.291 70 30 CGIC O=S(=O)(Cl)c1cccc2ccc(Cl)cc12 100449316 FZVNCOCMDAVLJP-UHFFFAOYSA-N 261.129 3.421 70 30 CGIC in-vitro O=S(=O)(Cl)c1c[nH]c2cc(Cl)c(Cl)cc12 211618806 ZRVSDKLSKIDBJG-UHFFFAOYSA-N 284.551 3.402 70 30 CGIC O=S(=O)(Cl)c1ccc(Cl)c(C(F)F)c1 107589284 WTDRGOGUSDWYKX-UHFFFAOYSA-N 261.076 3.205 70 30 CGIC CC(C)(C)OC(=O)N1CCC[C@H](C[B-](F)(F)F)C1 238085401 ISFHIIGJDOPGRV-SECBINFHSA-N 266.092 3.481 70 30 CGIC Cc1cc(Cl)c(S(=O)(=O)Cl)cc1Cl 124152060 PKTRXKJNKSWSTH-UHFFFAOYSA-N 259.541 3.229 70 30 CGIC O=S(=O)(Cl)c1c[nH]c2cc(C(F)(F)F)ccc12 211291121 NEAJYBDUZVFIBN-UHFFFAOYSA-N 283.658 3.114 70 30 CGIC O=S(=O)(Cl)c1cc(Cl)ccc1OCCC1CC1 100502930 MCWMSUSEGNGEBA-UHFFFAOYSA-N 295.187 3.446 70 30 CGIC in-vitro CC(C)(C)OC(=O)N1CCC[C@@H]([B-](F)(F)F)C1 238073533 GKMSWMZRFZDODK-MRVPVSSYSA-N 252.065 3.235 70 30 CGIC O=S(=O)(Cl)c1ccc2cccc(Cl)c2c1 100402627 DIZJRQPMQPLAMD-UHFFFAOYSA-N 261.129 3.421 70 30 CGIC O=S(=O)(Cl)CC1CC(c2ccc(Cl)cc2)C1 1535644929 AQRXMHFIRZJTMA-UHFFFAOYSA-N 279.188 3.402 70 30 CGIC O=S(=O)(Cl)c1ccc(COc2ccccc2)cc1 59530768 ITLWVYCIZYWFNW-UHFFFAOYSA-N 282.748 3.193 70 30 CGIC in-vitro O=S(=O)(Cl)c1csc2ccc(Cl)cc12 100440851 OCOLHKPAUQGRME-UHFFFAOYSA-N 267.158 3.482 70 30 CGIC in-vitro O=S(=O)(Cl)c1cc(Br)sc1Cl 100455620 MRXBWBJSGIXAOE-UHFFFAOYSA-N 295.994 3.092 70 30 CGIC O=S(=O)(Cl)c1cc2cc(Br)ccc2o1 59059906 NKDUUYVUVYWMLN-UHFFFAOYSA-N 295.541 3.123 70 30 CGIC C=P(c1ccccc1)(c1ccccc1)c1ccccc1 95671045 XYDYWTJEGDZLTH-UHFFFAOYSA-N 276.319 3.413 70 30 CGIC O=S(=O)(Cl)c1oc2ccccc2c1Br 307493228 HWALYCVZMTVWKQ-UHFFFAOYSA-N 295.541 3.123 70 30 CGIC in-vitro Cc1ccc(S(=O)(=O)Cl)c(Cl)c1Cl 97972571 DSBONOCXRFBBEW-UHFFFAOYSA-N 259.541 3.229 70 30 CGIC O=C(Cl)OCCC[Si](Cl)(Cl)Cl 195767067 FEIKZCGUXVWQTC-UHFFFAOYSA-N 255.988 3.407 70 30 CGIC O=S(=O)(Cl)Cc1ccc(C(F)(F)F)cc1Cl 258489760 JCDDWZHLALZYJG-UHFFFAOYSA-N 293.093 3.427 70 30 CGIC O=S(=O)(Cl)c1csc(-c2ccc(Cl)cc2)n1 100623450 UAIHIPQLZGHOAX-UHFFFAOYSA-N 294.184 3.391 70 30 CGIC in-vitro CCCCCC(=O)Nc1ccc(S(=O)(=O)Cl)cc1 59082631 KGACMAKDJBWAMY-UHFFFAOYSA-N 289.784 3.133 70 30 CGIC O=S(=O)(Cl)c1cc(Cl)c2ccccc2c1 100445174 ZUUMAMAYWCSDRU-UHFFFAOYSA-N 261.129 3.421 70 30 CGIC in-vitro O=S(=O)(Cl)c1c(Cl)ccc2ccccc12 100442719 SPRZLGGRDIRMRD-UHFFFAOYSA-N 261.129 3.421 70 30 CGIC in-vitro Cc1sc(C)c(S(=O)(=O)Cl)c1Br 118865437 LUNIRDJAHKLVGG-UHFFFAOYSA-N 289.603 3.055 70 30 CGIC CC(C)(C)c1ccc(S(=O)(=O)Cl)cc1F 217670340 XKTPCKATYCBMAZ-UHFFFAOYSA-N 250.722 3.051 70 30 CGIC in-vitro CCc1cc(CC)c(S(=O)(=O)Cl)c(CC)c1 106163719 ADUYHOFATLEZIC-UHFFFAOYSA-N 260.786 3.301 70 30 CGIC in-vitro O=S(=O)(Cl)c1cc2cc(Cl)ccc2o1 59059911 UIHPMIWZMBNVNH-UHFFFAOYSA-N 251.090 3.014 70 30 CGIC Cc1c(S(=O)(=O)Cl)oc2ccc(Cl)cc12 100447897 OTCLFARNTQXIFH-UHFFFAOYSA-N 265.117 3.322 70 30 CGIC Cc1cc(F)c(S(=O)(=O)Cl)c(C(F)(F)F)c1 575710918 LWRLXHVBDZXJGB-UHFFFAOYSA-N 276.638 3.080 70 30 CGIC O=S(=O)(Cl)c1cc(Cl)ccc1OC(F)(F)F 137636686 GEYCYNVQARGUJJ-UHFFFAOYSA-N 295.065 3.166 70 30 CGIC Br[SiH2]C(c1ccccc1)c1ccccc1 263584515 VKCSYAXPQQOJMN-UHFFFAOYSA-N 277.237 3.255 70 30 CGIC CC(C)(C)OC(=O)Nc1ccsc1S(=O)(=O)Cl 100505602 MRFJYKJZFAOKLV-UHFFFAOYSA-N 297.785 3.023 70 30 CGIC CC(C)(C)OC(=O)N1CC[C@H](C[B-](F)(F)F)C1 238110664 ANLSYAOFZGJEGZ-MRVPVSSYSA-N 252.065 3.091 70 30 CGIC Cc1ccc([Si](Cl)(Cl)c2ccccc2)cc1 195765786 BRDSOJFKQHFNOA-UHFFFAOYSA-N 267.231 3.029 70 30 CGIC O=S(=O)(Cl)c1cccc(-c2cccs2)c1 100651092 PLCXMUHRZXDKLU-UHFFFAOYSA-N 258.751 3.343 70 30 CGIC in-vitro O=S(=O)(Cl)CCc1ccc(Cl)c(Cl)c1 104673350 XEJVDLVXIOIKQT-UHFFFAOYSA-N 273.568 3.105 70 30 CGIC Cc1cc(Cl)c2cccc(S(=O)(=O)Cl)c2n1 59112978 GYHCPIZEUGCWNH-UHFFFAOYSA-N 276.144 3.124 70 30 CGIC O=S(=O)(Cl)c1sc(Cl)nc1-c1ccccc1 675050903 ZZFUHTLWHHROBN-UHFFFAOYSA-N 294.184 3.391 70 30 CGIC O=S(=O)(Cl)c1cccc(Cl)c1C(F)(F)F 145880664 DDNCGZHXOHKKNQ-UHFFFAOYSA-N 279.066 3.286 70 30 CGIC in-vitro O=S(=O)(Cl)c1sc2ccccc2c1Cl 100067906 LITUWUFHSOPITQ-UHFFFAOYSA-N 267.158 3.482 70 30 CGIC O=S(=O)(Cl)CCCc1ccc(C(F)(F)F)cc1 616583076 VDENRLIXAWCDNP-UHFFFAOYSA-N 286.702 3.207 70 30 CGIC O=S(=O)(Cl)c1ccc(C2(C(F)(F)F)CC2)cc1 115197368 ABARQFVTRKTMQI-UHFFFAOYSA-N 284.686 3.208 70 30 CGIC CCCSc1ccccc1S(=O)(=O)Cl 103834342 BYFHFTOAZIAVNY-UHFFFAOYSA-N 250.772 3.116 70 30 CGIC O=S(=O)(Cl)CC1(C(F)(F)F)CCCCC1 397545241 NWIHNGUXCSUSKN-UHFFFAOYSA-N 264.696 3.068 70 30 CGIC O=S(=O)(Cl)C1CCC(c2ccccc2)CC1 88251595 ORJUQTSAVCSKAN-UHFFFAOYSA-N 258.770 3.281 70 30 CGIC in-vitro Cc1cc(Cl)c(S(=O)(=O)Cl)c(Cl)c1 149338954 VNDVBLUSKXZRLL-UHFFFAOYSA-N 259.541 3.229 70 30 CGIC O=S(=O)(Cl)CC1(C(F)(F)F)CC2(CCC2)C1 958538024 RPNWRCDGRUWNGH-UHFFFAOYSA-N 276.707 3.068 70 30 CGIC Cc1c(S(=O)(=O)Cl)sc2cccc(F)c12 100445032 PFSFVTHIMQSVTE-UHFFFAOYSA-N 264.730 3.276 70 30 CGIC in-vitro C[SiH](C)O[Si](C)(C)CC[Si](C)(C)O[SiH](C)C 256081096 SIKFOBGBYHBHAK-UHFFFAOYSA-N 294.692 3.397 70 30 CGIC CC(C)(c1ccc(S(=O)(=O)Cl)cc1)C(F)(F)F 232539387 BCODNMOBQBESCY-UHFFFAOYSA-N 286.702 3.454 70 30 CGIC O=S(=O)(Cl)c1cc2ccccc2cc1Cl 308668792 SUPPBFXAIUSRDU-UHFFFAOYSA-N 261.129 3.421 70 30 CGIC