smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Fc1ccc(Cn2ccc(-c3cc4ccccc4o3)n2)cc1 216689765 FUNDYFGPFQKDIO-UHFFFAOYSA-N 292.313 4.484 70 40 CIIB CCOc1ccc(-c2cc(-c3cccs3)on2)cc1 216697337 XEGBCWFAZIQINN-UHFFFAOYSA-N 271.341 4.469 70 40 CIIB Cc1ccc(CCC(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 218535931 AUFBYKWVHNEBEG-QGZVFWFLSA-N 295.426 4.422 70 40 CIIB CCNc1cc([C@H](C)N(C)C(=O)OC(C)(C)C)ccc1C 218283387 JWZFXXMVNNRZDW-ZDUSSCGKSA-N 292.423 4.355 70 40 CIIB C[C@@H]1CCC[C@H]([C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)[C@H]1O 217484827 UFXNARNMSIOVTP-XHOLNKINSA-N 250.426 4.246 70 40 CIIB COc1ccccc1NC(=O)Nc1ccccc1C(C)C 217267977 GBBCNPSPCMLFQI-UHFFFAOYSA-N 284.359 4.463 70 40 CIIB CC[C@@H](NC(=O)c1cccc(OC)c1)c1ccc(C)c(C)c1 217939854 FPMNVTPOWCOMJV-GOSISDBHSA-N 297.398 4.193 70 40 CIIB CC[C@H](NC(=O)c1ccccc1OC)c1ccc(C)cc1C 218169582 NDAYUSLVEZNMJU-KRWDZBQOSA-N 297.398 4.193 70 40 CIIB F[B-](F)(F)Nc1cccc2cccc(N[B-](F)(F)F)c12 195782518 MFIQORKBJIHFOP-UHFFFAOYSA-N 291.800 4.352 70 40 CIIB Clc1ccccc1Cc1nc(-c2cccs2)no1 216670108 QVFGIMRAKPRJAY-UHFFFAOYSA-N 276.748 4.042 70 40 CIIB FC(F)(F)c1cccc(-n2ccc([C@H]3OCCS3)c2)c1 216702706 WHNIKWGAIXEQKO-ZDUSSCGKSA-N 299.317 4.258 70 40 CIIB CCOc1ccccc1-c1cc(-c2ccco2)on1 216698225 UNQLNTCYLVRMEJ-UHFFFAOYSA-N 255.273 4.000 70 40 CIIB CC[C@@H](NC(=O)c1ccc(OC)cc1)c1ccc(C)c(C)c1 217844932 KYCKZTVFJOAOSE-GOSISDBHSA-N 297.398 4.193 70 40 CIIB Cc1nc(-c2ccccc2NC(=O)C2CCCC2)cs1 218569721 SSCUEWJESMJMLT-UHFFFAOYSA-N 286.400 4.247 70 40 CIIB COc1ccccc1NC(=O)Nc1ccc(Cl)cc1C 217268028 ZXLUSAMOKQJPMM-UHFFFAOYSA-N 290.750 4.301 70 40 CIIB O=S(=O)(Cl)c1ccc(N=Nc2ccccc2)cc1 254292750 UEAZPVORQYDKHZ-UHFFFAOYSA-N 280.736 4.030 70 40 CIIB CCNc1cc(-c2cc3ccccc3oc2=O)ccc1C 216938657 MTSUZHBBSUNFDK-UHFFFAOYSA-N 279.339 4.200 70 40 CIIB CCCCNc1ncnc(Cl)c1-c1ccccc1 217684479 XJUMDEJWQCNLSR-UHFFFAOYSA-N 261.756 4.009 70 40 CIIB FC(F)(F)c1cccc(-n2ccc([C@@H]3OCCS3)c2)c1 216702662 WHNIKWGAIXEQKO-CYBMUJFWSA-N 299.317 4.258 70 40 CIIB CCNc1cc(C)ccc1-c1cc2ccccc2oc1=O 216937918 RYOVTPLFJBJGPM-UHFFFAOYSA-N 279.339 4.200 70 40 CIIB CC(C)(C)SCCNC(=O)/C=C/c1ccc(Cl)cc1 217957331 KQEQSIZULULZLG-RMKNXTFCSA-N 297.851 4.001 70 40 CIIB COc1ccccc1-c1cc(-c2cccs2)on1 216697281 HFGFWECSVFPRKU-UHFFFAOYSA-N 257.314 4.079 70 40 CIIB COc1ccc(-c2csc(Nc3ccccc3)n2)cc1N 217686374 AXQMRQJEIXQMJQ-UHFFFAOYSA-N 297.383 4.145 70 40 CIIB FC(F)c1nnc(SCc2cccc3ccccc23)[nH]1 216902989 QYZWZLDASDZKPQ-UHFFFAOYSA-N 291.326 4.188 70 40 CIIB CC[C@H](NC(=O)c1ccc(OC)cc1)c1ccc(C)c(C)c1 217844996 KYCKZTVFJOAOSE-SFHVURJKSA-N 297.398 4.193 70 40 CIIB CCNc1cc([C@@H](C)N(C)C(=O)OC(C)(C)C)ccc1C 218283355 JWZFXXMVNNRZDW-CYBMUJFWSA-N 292.423 4.355 70 40 CIIB COc1cccc2c(OCc3ccccc3)cc(C)nc12 217423877 YAKDKJZBYLYINJ-UHFFFAOYSA-N 279.339 4.131 70 40 CIIB ClCCC[Si](Cl)(Cl)CCCCl 195751560 HDNRFVFMQJSRPE-UHFFFAOYSA-N 254.060 4.164 70 40 CIIB CSc1ccccc1-c1nc(-c2cccs2)no1 216668062 XXMKNMUUOZUCQI-UHFFFAOYSA-N 274.370 4.187 70 40 CIIB Cl[Si](Cl)(Cl)CCC1=C[C@@H]2CC[C@H]1C2 195791544 JXBLVJQIFPWBOA-SFYZADRCSA-N 255.648 4.388 70 40 CIIB [N-]=[N+]=NC(=O)/C=C/c1cccc(OCc2ccccc2)c1 61997439 BPFPOGOTLSBYFN-MDZDMXLPSA-N 279.299 4.116 70 40 CIIB C[C@@H]1CCC[C@H]([C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)[C@@H]1O 217484743 UFXNARNMSIOVTP-DZGCXMPZSA-N 250.426 4.246 70 40 CIIB FC(F)(F)c1cccc(Cn2ccc(-c3ccco3)n2)c1 216691229 CQUQGPFHDWDLRY-UHFFFAOYSA-N 292.260 4.210 70 40 CIIB CSc1ccc(-c2nc(-c3cccs3)no2)cc1 216669179 XPTFFMKXXWFQKK-UHFFFAOYSA-N 274.370 4.187 70 40 CIIB CC[C@@H](NC(=O)c1ccc(OC)cc1)c1ccc(C)cc1C 217845138 RYLFYULPVLSDAR-GOSISDBHSA-N 297.398 4.193 70 40 CIIB CCNc1ccc(C)c(-c2cc3ccccc3oc2=O)c1 216938419 YOKASDXSYHSVCG-UHFFFAOYSA-N 279.339 4.200 70 40 CIIB C[C@@H]1C[C@H](O)[C@@H]([C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)C[C@H]1C 217483464 UNCFQTHQEXAQIY-JKSIIQAVSA-N 264.453 4.492 70 40 CIIB CC(C)(C)c1ccc(-c2cc(-c3cccnc3)[nH]n2)cc1 216697024 YQMJYOAVLQHFSX-UHFFFAOYSA-N 277.371 4.436 70 40 CIIB CNc1cc([C@H](C)N(C)Cc2ccccc2)ccc1C 218319052 CRHAHSCZPKXJEI-HNNXBMFYSA-N 268.404 4.230 70 40 CIIB COc1cccc(-c2cc(-c3cccs3)on2)c1 216666240 UDYQKLUPNJOQSK-UHFFFAOYSA-N 257.314 4.079 70 40 CIIB CSc1ccc(-c2nnc(-c3cccs3)o2)cc1 216669525 OSXIMQLJWNIXTN-UHFFFAOYSA-N 274.370 4.187 70 40 CIIB Cc1cccc(NCc2c(C)[nH]c3c(C)cccc3c2=O)c1 217427512 NURYPGSSWSWRQS-UHFFFAOYSA-N 292.382 4.065 70 40 CIIB Cc1ccc(Oc2ccc(S(=O)(=O)Cl)cc2)cc1C 100601049 VRVHZSRIQLAMQD-UHFFFAOYSA-N 296.775 4.023 70 40 CIIB c1ccc(Cc2nc3ccc(-n4cccc4)cc3o2)cc1 216742741 BNYDJPDHYKYEFU-UHFFFAOYSA-N 274.323 4.209 70 40 CIIB CC(C)(C)[SiH2]OC(c1ccccc1)c1ccccc1 199947587 LNRDAKUQTTVRBJ-UHFFFAOYSA-N 270.448 4.095 70 40 CIIB CC[C@H](NC(=O)c1cccc(OC)c1)c1ccc(C)cc1C 217940100 YFRNAEZJYKBBPJ-SFHVURJKSA-N 297.398 4.193 70 40 CIIB Cc1cc(C)cc(Oc2ccc(S(=O)(=O)Cl)cc2)c1 100596805 KKDZKHJGBCUHMW-UHFFFAOYSA-N 296.775 4.023 70 40 CIIB Clc1cccc(Cn2ccc(-c3cccs3)n2)c1 216691626 ONPZQQARXYNNIC-UHFFFAOYSA-N 274.776 4.313 70 40 CIIB Clc1ccc(Cn2ccc(-c3cccs3)n2)cc1 216691695 CNOQKVMXOCJMTR-UHFFFAOYSA-N 274.776 4.313 70 40 CIIB COc1ccc(-c2cc(-c3cccs3)no2)cc1 216667224 RAYKACLUXKXOAC-UHFFFAOYSA-N 257.314 4.079 70 40 CIIB COc1ccc(NC(=O)[C@@]23CC[C@@H]4C[C@@H](C[C@@H](C4)C2)C3)cc1 217745848 LNICCFUSYNLUIT-CSVIQDERSA-N 299.414 4.240 70 40 CIIB CCNc1cc(-c2cc3ccccc3oc2=O)ccc1F 216938775 WJPCLLUQOVUABT-UHFFFAOYSA-N 283.302 4.031 70 40 CIIB CC[C@H](NC(=O)c1ccccc1OC)c1ccc(C)c(C)c1 218169415 PUTNZKMXDQIZSM-KRWDZBQOSA-N 297.398 4.193 70 40 CIIB Fc1ccccc1Cn1ccc(-c2cc3ccccc3o2)n1 216689692 UXJAVJADCGCMAK-UHFFFAOYSA-N 292.313 4.484 70 40 CIIB CCN(C(=O)OC(C)(C)C)[C@@H](C)c1ccc(C)c(NC)c1 218284021 VBHIIOMRYMWXKZ-ZDUSSCGKSA-N 292.423 4.355 70 40 CIIB CC[C@H](NC(=O)c1cccc(OC)c1)c1ccc(C)c(C)c1 217939924 FPMNVTPOWCOMJV-SFHVURJKSA-N 297.398 4.193 70 40 CIIB COc1ccccc1-c1cc(-c2cccs2)no1 216667082 KINBNROEOAWOTD-UHFFFAOYSA-N 257.314 4.079 70 40 CIIB FC(F)(F)c1ccc(-n2ccc([C@@H]3OCCS3)c2)cc1 216703440 WXMZPDHCWJEIOB-CYBMUJFWSA-N 299.317 4.258 70 40 CIIB Clc1cc(NCc2ccco2)ccc1Br 218006608 AITCQJOYAWMKGK-UHFFFAOYSA-N 286.556 4.308 70 40 CIIB C[C@H]1CCC[C@H]([C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)[C@@H]1O 217484561 UFXNARNMSIOVTP-IJPNJANYSA-N 250.426 4.246 70 40 CIIB C[C@H]1CCC[C@H]([C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)[C@H]1O 217484644 UFXNARNMSIOVTP-PYCOOKQFSA-N 250.426 4.246 70 40 CIIB C[Si](C)(Cl)c1cccc(Oc2ccccc2)c1 198364423 HHNILESXOSEUTJ-UHFFFAOYSA-N 262.812 4.130 70 40 CIIB CCN(C(=O)OC(C)(C)C)[C@H](C)c1ccc(C)c(NC)c1 218284086 VBHIIOMRYMWXKZ-CYBMUJFWSA-N 292.423 4.355 70 40 CIIB CC[SiH](CCC(F)(F)F)CCC(F)(F)F 408822668 QRGMKOUDADOJGA-UHFFFAOYSA-N 252.274 4.138 70 40 CIIB CNc1cc([C@@H](C)N(C)Cc2ccccc2)ccc1C 218318970 CRHAHSCZPKXJEI-OAHLLOKOSA-N 268.404 4.230 70 40 CIIB CCOc1ccc(-c2cc(-c3ccco3)on2)cc1 216697956 BRDVMZBMPQLORR-UHFFFAOYSA-N 255.273 4.000 70 40 CIIB CCc1ccccc1NCc1c(C)[nH]c2ccccc2c1=O 217427601 QAMDEIHBYDVGJJ-UHFFFAOYSA-N 292.382 4.011 70 40 CIIB CC[C@@H](NC(=O)c1ccccc1OC)c1ccc(C)cc1C 218169518 NDAYUSLVEZNMJU-QGZVFWFLSA-N 297.398 4.193 70 40 CIIB Cl[Si](Cl)(Cl)CCCOc1ccccc1 196642576 BGSBEWOQSOBCCU-UHFFFAOYSA-N 269.631 4.111 70 40 CIIB COc1cccc(-c2cc(-c3cc4ccccc4o3)n[nH]2)c1 216696253 DBTQDTWAQZJLKM-UHFFFAOYSA-N 290.322 4.499 70 40 CIIB FC(F)c1nnc(SCc2ccc3ccccc3c2)[nH]1 216926772 DTJRUXVSVYQRCJ-UHFFFAOYSA-N 291.326 4.188 70 40 CIIB CCNc1ccc(-c2cc3ccccc3oc2=O)c(C)c1 216938970 VHXNDKCGPKWQDY-UHFFFAOYSA-N 279.339 4.200 70 40 CIIB CSc1ccccc1-c1nnc(-c2cccs2)o1 216669463 ZCXHDTMPAFOEOD-UHFFFAOYSA-N 274.370 4.187 70 40 CIIB COc1ccc(C(=O)c2c(C)ccc3ccccc23)cc1 160816680 QDNRTVGHJYJMMR-UHFFFAOYSA-N 276.335 4.388 70 40 CIIB CCNc1cccc(-c2cc3ccccc3oc2=O)c1C 216938569 OPNMSVIZHHTSFS-UHFFFAOYSA-N 279.339 4.200 70 40 CIIB C[C@H]1C[C@H](O)[C@@H]([C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)C[C@H]1C 217483639 UNCFQTHQEXAQIY-QEGFHOJKSA-N 264.453 4.492 70 40 CIIB CC[C@@H](NC(=O)c1cccc(OC)c1)c1ccc(C)cc1C 217940018 YFRNAEZJYKBBPJ-GOSISDBHSA-N 297.398 4.193 70 40 CIIB O=C(NCC1(c2ccsc2)CCCC1)c1cccs1 217479896 HRNFSQZPSJBJEA-UHFFFAOYSA-N 291.441 4.051 70 40 CIIB O=C(C[C@@H]1CCCCCN1Cc1ccccc1)c1ccco1 217462210 OCODLUKCFAWMHQ-KRWDZBQOSA-N 297.398 4.297 70 40 CIIB Clc1ccccc1Cn1ccc(-c2cccs2)n1 216691563 DIMMAINOYGDVHR-UHFFFAOYSA-N 274.776 4.313 70 40 CIIB Cc1cccc(Oc2ccc(S(=O)(=O)Cl)cc2)c1C 100600029 SCUUFCITVWGERP-UHFFFAOYSA-N 296.775 4.023 70 40 CIIB c1ccc(Cn2ccc(-c3cc4ccccc4o3)n2)cc1 216689234 ZIQAHWBSPOTHBQ-UHFFFAOYSA-N 274.323 4.345 70 40 CIIB Clc1cccc(Cc2nc(-c3cccs3)no2)c1 216670183 RWFDSPZXILFSNA-UHFFFAOYSA-N 276.748 4.042 70 40 CIIB Clc1cccc(Cc2nnc(-c3cccs3)o2)c1 216669727 FDNGQESNGNXNOM-UHFFFAOYSA-N 276.748 4.042 70 40 CIIB Cc1ccc(NCc2c(C)[nH]c3c(C)cccc3c2=O)cc1 217428142 IVPGZZNLDUACNU-UHFFFAOYSA-N 292.382 4.065 70 40 CIIB C[C@@H]1C[C@@H](O)[C@@H]([C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)C[C@H]1C 217483378 UNCFQTHQEXAQIY-GZIOAMKESA-N 264.453 4.492 70 40 CIIB COc1ccc(CCC[Si](C)(Cl)Cl)cc1 196956593 HDYGTUBIAPFWFO-UHFFFAOYSA-N 263.240 4.177 70 40 CIIB O=C(/C=C/c1ccccc1)NCCCc1ccccc1Cl 217882433 ULZLJXUUAWYXMY-OUKQBFOZSA-N 299.801 4.102 70 40 CIIB Cc1ccc(-c2n[nH]c(NC(=O)CC3=CCCCC3)c2C)o1 161358730 GAKRGWAPRJAYRP-UHFFFAOYSA-N 299.374 4.116 70 40 CIIB CC[C@@H](NC(=O)c1ccccc1OC)c1ccc(C)c(C)c1 218169326 PUTNZKMXDQIZSM-QGZVFWFLSA-N 297.398 4.193 70 40 CIIB CC[C@H](NC(=O)c1ccc(OC)cc1)c1ccc(C)cc1C 217845218 RYLFYULPVLSDAR-SFHVURJKSA-N 297.398 4.193 70 40 CIIB Cc1cc(Cl)nc(Cc2cccc3ccccc23)n1 217396221 VXBJYDHWYXDYDC-UHFFFAOYSA-N 268.747 4.182 70 40 CIIB COc1ccc(CCC[Si](Cl)(Cl)Cl)cc1 225672090 KONHVWVBPIDGBH-UHFFFAOYSA-N 283.658 4.283 70 40 CIIB Cl[Si](Cl)(Cl)CC[C@@]12C=C[C@@H](CC1)C2 197325404 CJIKCIXUSNKIAV-DTWKUNHWSA-N 255.648 4.388 70 40 CIIB Cc1cc(OCc2ccccc2)c2cccc(C)c2n1 217423982 KKYBJVOYEPFKJW-UHFFFAOYSA-N 263.340 4.431 70 40 CIIB ClCCCCCC[Si](Cl)(Cl)Cl 219023793 HYCCZVNUTVCAJF-UHFFFAOYSA-N 254.060 4.441 70 40 CIIB Cc1cc(OCC(=O)c2ccccc2)c2cccc(C)c2n1 217442441 UIBWDPAUFGXTBR-UHFFFAOYSA-N 291.350 4.113 70 40 CIIB COc1cccc(-c2cc(-c3cccs3)no2)c1 216667152 BGTNGVYVBJSMCB-UHFFFAOYSA-N 257.314 4.079 70 40 CIIB CCN(C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1 217312707 FATGGJBNVDSYDB-UHFFFAOYSA-N 298.430 4.191 70 40 CIIB CC1(Cl)CN(C(c2ccccc2)c2ccccc2)C1 218247297 BJNFCYWEFNNULQ-UHFFFAOYSA-N 271.791 4.089 70 40 CIIB O=C(NCC1(c2ccsc2)CCCC1)c1ccsc1 217479997 CJAXPHSASRFWRY-UHFFFAOYSA-N 291.441 4.051 70 40 CIIB FC(F)(F)c1ccc(-n2ccc([C@H]3OCCS3)c2)cc1 216703485 WXMZPDHCWJEIOB-ZDUSSCGKSA-N 299.317 4.258 70 40 CIIB Cc1nc(-c2ccccc2NC(=O)NC(C)(C)C)cs1 218669422 LKSVFXWBUFIBIA-UHFFFAOYSA-N 289.404 4.039 70 40 CIIB O=C(NC[C@@]12CC[C@@H]3C[C@@H](C[C@@H](C3)C1)C2)Nc1ccccc1 217760372 NRCOLYFSQXIZML-HGYGSNGRSA-N 298.430 4.415 70 40 CIIB FC(F)(F)c1ccccc1-n1ccc([C@@H]2OCCS2)c1 216703322 ZBPLMPVKINMKMA-CYBMUJFWSA-N 299.317 4.258 70 40 CIIB CC(C)(C)c1ccc(-c2noc(-c3ccco3)n2)cc1 216670314 ANXLWWYVQMOHBJ-UHFFFAOYSA-N 268.316 4.294 70 40 CIIB CCOc1ccccc1-c1cc(-c2cccs2)on1 216697606 GJDYLMUCVLLFDO-UHFFFAOYSA-N 271.341 4.469 70 40 CIIB COc1ccc(-c2cc(-c3sccc3C)on2)cc1 216666505 SOMZFAYIUBUZOP-UHFFFAOYSA-N 271.341 4.387 70 40 CIIB C[C@H]1C[C@@H](O)[C@@H]([C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)C[C@H]1C 217483547 UNCFQTHQEXAQIY-CKHLVINASA-N 264.453 4.492 70 40 CIIB O=C(C[C@H]1CCCCCN1Cc1ccccc1)c1ccco1 217462286 OCODLUKCFAWMHQ-QGZVFWFLSA-N 297.398 4.297 70 40 CIIB COc1ccc(-c2cc(-c3cc4ccccc4o3)n[nH]2)cc1 216696440 WQDCYSWNJRROHQ-UHFFFAOYSA-N 290.322 4.499 70 40 CIIB COC(=O)c1cccc(OCc2cccc3ccccc23)c1 216850032 IKUWREOGSNNJFM-UHFFFAOYSA-N 292.334 4.205 70 40 CIIB c1ccc(N2CCO[C@@H]2c2ccn(-c3ccccc3)c2)cc1 216709535 RCNOQIQSCGGCEI-LJQANCHMSA-N 290.366 4.013 70 40 CIIB O=C(c1ccc(-c2ccccc2)cc1)N1[C@H]2C=CC[C@H]1CC2 218740325 SREULQWADSYMNK-OALUTQOASA-N 289.378 4.287 70 40 CIIB c1ccc(N2CCO[C@H]2c2ccn(-c3ccccc3)c2)cc1 216709494 RCNOQIQSCGGCEI-IBGZPJMESA-N 290.366 4.013 70 40 CIIB Cc1cc(Cl)nc(COc2cccc3ccccc23)n1 159724171 HEXAOVWQEDXJGE-UHFFFAOYSA-N 284.746 4.171 70 40 CIIB CCNc1ccc(F)c(-c2cc3ccccc3oc2=O)c1 216938449 NENSZLYISYLNLJ-UHFFFAOYSA-N 283.302 4.031 70 40 CIIB CCOC(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12 216777822 ZDONVCYOWOBPDJ-UHFFFAOYSA-N 297.329 4.005 70 40 CIIB O=C(/C=C/c1ccccc1)NCCCc1ccc(Cl)cc1 217882527 ODPNJMUSHXLRNE-JLHYYAGUSA-N 299.801 4.102 70 40 CIIB Cc1ccc(CCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1 218535853 AUFBYKWVHNEBEG-KRWDZBQOSA-N 295.426 4.422 70 40 CIIB [N-]=[N+]=NC(=O)C1C(c2ccccc2)=C1c1ccccc1 17429834 FLNZEXNDXHEPEC-UHFFFAOYSA-N 261.284 4.064 70 40 CIIB COc1cccc(C(=O)c2c(C)ccc3ccccc23)c1 160826030 PVCBIKLMHJBNEF-UHFFFAOYSA-N 276.335 4.388 70 40 CIIB FC(F)(F)c1ccccc1-n1ccc([C@H]2OCCS2)c1 216703367 ZBPLMPVKINMKMA-ZDUSSCGKSA-N 299.317 4.258 70 40 CIIB COc1ccccc1-c1cc(-c2cc3ccccc3o2)n[nH]1 216696376 GABINNOCPJZKQH-UHFFFAOYSA-N 290.322 4.499 70 40 CIIB Cn1cc(-c2nc3ccccc3s2)c2ccccc21 217642055 INOPFEKGCXTUJE-UHFFFAOYSA-N 264.353 4.455 70 40 CIIB