smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC[C@@H](C)[C@@H](C)Sc1ccoc1C 1643847316 NQLNHLPFNDEGBJ-PSASIEDQSA-N 198.331 4.115 0 20 AIAD CC[C@H](C)CSc1cccc(C)c1 1656243266 LTQKYYCJXKIOIM-JTQLQIEISA-N 194.343 4.133 0 20 AIAD CC(C)C[C@H](C)SCC(C)(C)C 1473030814 VXCYDJFQGLDSLC-JTQLQIEISA-N 188.380 4.200 0 20 AIAD CCC(CC)(CC)SCCCF 379311079 GGLPBTLNVFADSQ-UHFFFAOYSA-N 192.343 4.048 0 20 AIAD CC[C@H](C)CS[C@H](C)[C@@H](C)CC 1651873900 XYRJAYJJRHTFSU-GARJFASQSA-N 188.380 4.200 0 20 AIAD CC/C=C\CCSC1CCCC1 307962548 YFKOVACMHLZLOJ-ARJAWSKDSA-N 184.348 4.019 0 20 AIAD CC[C@H](C)SCc1cccc(C)c1 308504769 YOWUOBDNNVAOEQ-NSHDSACASA-N 194.343 4.027 0 20 AIAD CCC[C@@H]1CCC[C@@H]2CCCC[C@H]21 216581553 HIXIFRGJVIZERN-AGIUHOORSA-N 180.335 4.393 0 20 AIAD in-vitro CC(C)C[C@@H](C)SC1CCCC1 1651607279 XKRVGRGWZYVXKK-SNVBAGLBSA-N 186.364 4.097 0 20 AIAD CC[C@@H](C)[C@H](C)SCC(C)(C)C 201897613 YCIYGCIKARZYPT-ZJUUUORDSA-N 188.380 4.200 0 20 AIAD CCC[C@@H](C)SC/C(C)=C/Cl 307903410 PHIWOCVYLUMUDK-BNICOGTQSA-N 192.755 4.051 0 20 AIAD CCCSC1CCC(C)(C)CC1 1651925421 WNOFAQGIOPUOHL-UHFFFAOYSA-N 186.364 4.098 0 20 AIAD Cc1cccc(SC2CCCC2)c1 147253601 RYVRWNIZBHEKLU-UHFFFAOYSA-N 192.327 4.030 0 20 AIAD Cc1cc(C)c(-c2ccccc2)c(C)c1 2038203 CDKUYUULLQLNFF-UHFFFAOYSA-N 196.293 4.279 0 20 AIAD in-vitro C[C@@H]1CCC[C@@H](SC2CCCC2)C1 307533648 MUHSVFKKIUXOSN-ZYHUDNBSSA-N 198.375 4.241 0 20 AIAD CC1(CSc2cccs2)CCC1 306712796 PDZURBDRHCOHOV-UHFFFAOYSA-N 198.356 4.030 0 20 AIAD CC[C@@H](C)[C@@H](C)SCC(C)(C)C 201897568 YCIYGCIKARZYPT-NXEZZACHSA-N 188.380 4.200 0 20 AIAD CC(C)Sc1ccc(C(C)C)cc1 146877362 MOLCFFCIEMDSQN-UHFFFAOYSA-N 194.343 4.311 0 20 AIAD CC[C@@H](C)Sc1cc(C)ccc1C 1640689566 STWZQECFLITDFK-LLVKDONJSA-N 194.343 4.194 0 20 AIAD CC[C@@H](C)[C@H](C)Sc1ccccc1 1656053634 IVRKVBRROXXRBD-MNOVXSKESA-N 194.343 4.213 0 20 AIAD CCCCCCSCc1ccco1 388743440 YMXMZVFBTQXNCM-UHFFFAOYSA-N 198.331 4.093 0 20 AIAD CCC(CC)Sc1ccccc1C 1307295662 SWYFPAOCSVDPMX-UHFFFAOYSA-N 194.343 4.276 0 20 AIAD CCC[C@H](CC)SC(CC)CC 1643905339 MTKWTLCXLZASFR-NSHDSACASA-N 188.380 4.487 0 20 AIAD CCCS[C@H](C)c1ccccc1F 379405166 SRKMPGWOXITCBF-SECBINFHSA-N 198.306 4.030 0 20 AIAD CC(C)C[C@H](C)S[C@H](C)C(C)C 1651838046 ZWEOLZARWFNIHC-WDEREUQCSA-N 188.380 4.199 0 20 AIAD CCC[C@H](C)Sc1cccs1 307699551 KJOAFFWVUXQYKG-QMMMGPOBSA-N 186.345 4.029 0 20 AIAD CC(C)S[C@H](C)c1ccc(F)cc1 306416816 RKLGGIQIRRMWNJ-SECBINFHSA-N 198.306 4.028 0 20 AIAD Cc1ccc(S[C@H](C)C(C)C)cc1 306291178 QQAOBYKDXMUEDZ-LLVKDONJSA-N 194.343 4.132 0 20 AIAD Cc1ccccc1S[C@@H](C)C(C)C 1472981133 TWRJEUJAIQHMBI-NSHDSACASA-N 194.343 4.132 0 20 AIAD Clc1cc(C2CC2)cc(C2CC2)c1 116799871 HCUGGJSBCAIJNT-UHFFFAOYSA-N 192.689 4.095 0 20 AIAD CC[C@@H](C)[C@@H](C)SC1CCCC1 1307253079 KZHMKIOVPMKRKE-NXEZZACHSA-N 186.364 4.097 0 20 AIAD CCCSC(CCC)CCC 388154590 PEFKJYOXULRITP-UHFFFAOYSA-N 174.353 4.098 0 20 AIAD CCC[C@@H](C)SC(CC)CC 1458945612 KISJCBBTQZCSDO-SECBINFHSA-N 174.353 4.097 0 20 AIAD CC(C)C[C@@H](C)SCC(C)(C)C 1473030815 VXCYDJFQGLDSLC-SNVBAGLBSA-N 188.380 4.200 0 20 AIAD CC[C@@H]1C[C@H]1CSC1CCCCC1 1559335827 RZQOEPSRBBGCFW-MNOVXSKESA-N 198.375 4.098 0 20 AIAD CC[C@H](C)CS[C@H](C)[C@H](C)CC 1651873901 XYRJAYJJRHTFSU-HBNTYKKESA-N 188.380 4.200 0 20 AIAD CCCCNc1ccc2ccccc2c1 1665952 FFWIPAKZSVGWDP-UHFFFAOYSA-N 199.297 4.052 0 20 AIAD CCC[C@@H](C)Sc1cccs1 307699550 KJOAFFWVUXQYKG-MRVPVSSYSA-N 186.345 4.029 0 20 AIAD CC(C)S[C@@H](C)c1ccc(F)cc1 306416817 RKLGGIQIRRMWNJ-VIFPVBQESA-N 198.306 4.028 0 20 AIAD Cc1cccc(Nc2ccccc2C)c1 164987514 BAWMCGDLFJGWSX-UHFFFAOYSA-N 197.281 4.047 0 20 AIAD CCC[C@H](C)Sc1cccc(F)c1 1165768714 JOFQKUOAZOTXMP-VIFPVBQESA-N 198.306 4.106 0 20 AIAD CCC(CC)SCC1(C)CCC1 1640900968 SAIHFDNSVKIDSU-UHFFFAOYSA-N 186.364 4.098 0 20 AIAD CCC[C@H](CC)S[C@@H](C)CC 1307339742 QSGLTIMNEBJFFO-UWVGGRQHSA-N 174.353 4.097 0 20 AIAD Cc1occc1S[C@@H](C)CC(C)C 1613703234 OTSNWQBIZIMRSO-VIFPVBQESA-N 198.331 4.115 0 20 AIAD CCC[C@@H](CC)SCCCCF 307990360 SSNIMXQRMUSQJC-SNVBAGLBSA-N 192.343 4.048 0 20 AIAD C[Si](C)(C)CC=C1CCCCC1 196043952 MXBJYMQIMKJXKC-UHFFFAOYSA-N 182.383 4.215 0 20 AIAD CCC[C@H](C)Sc1ccccc1F 1188539155 JOXKLPDSHWCXOQ-VIFPVBQESA-N 198.306 4.106 0 20 AIAD CCCC(CCC)SC(C)C 378973325 KTRSQGQVDPMKQT-UHFFFAOYSA-N 174.353 4.097 0 20 AIAD CC[C@H](C)CS[C@@H](C)[C@H](C)CC 1651873898 XYRJAYJJRHTFSU-AXFHLTTASA-N 188.380 4.200 0 20 AIAD CC1(CSC2CCC2)CCCCC1 1473033222 LZAYLUPGVKNXGV-UHFFFAOYSA-N 198.375 4.243 0 20 AIAD CCC[C@@H]1CCC[C@@H]2CCCC[C@@H]21 95348358 HIXIFRGJVIZERN-FRRDWIJNSA-N 180.335 4.393 0 20 AIAD in-vitro CCC[C@@H](CC)S[C@H](C)CC 1307339732 QSGLTIMNEBJFFO-NXEZZACHSA-N 174.353 4.097 0 20 AIAD CCC(CC)(CC)SCC1CC1 1641057962 PQJFPPZHVIZBQY-UHFFFAOYSA-N 186.364 4.098 0 20 AIAD CC1(C)CCC(SCC2CC2)CC1 1613715898 OQTROLTYTLGOFM-UHFFFAOYSA-N 198.375 4.098 0 20 AIAD CC[C@H](SC(C)C)c1ccccc1 379366839 SWCGZMWZAYVRKI-LBPRGKRZSA-N 194.343 4.279 0 20 AIAD CCC[C@@H](C)SC1CCCCC1 1643506872 PIPVQERNGQHKHC-SNVBAGLBSA-N 186.364 4.241 0 20 AIAD CCC(CC)SC1CCCCC1 307999596 YNGDSZXOSGRSGQ-UHFFFAOYSA-N 186.364 4.241 0 20 AIAD CC1(C)CC[C@H](SC2CCCC2)C1 1643430334 PZVLOSZQESGESS-NSHDSACASA-N 198.375 4.241 0 20 AIAD CC[C@H](C)[C@@H](C)Sc1ccccc1 224510986 IVRKVBRROXXRBD-WDEREUQCSA-N 194.343 4.213 0 20 AIAD Clc1ccccc1C1CCCCC1 75841158 UIWDLAFRKXWERN-UHFFFAOYSA-N 194.705 4.388 0 20 AIAD CC[C@@H](C)[C@H](C)Sc1ccoc1C 1643847321 NQLNHLPFNDEGBJ-SCZZXKLOSA-N 198.331 4.115 0 20 AIAD CCC[C@@H]1CCC[C@H]2CCCC[C@H]12 95348356 HIXIFRGJVIZERN-JHJVBQTASA-N 180.335 4.393 0 20 AIAD in-vitro c1csc(SC2CCCCC2)c1 306325437 LJAZMOSONQBXTF-UHFFFAOYSA-N 198.356 4.173 0 20 AIAD CC[C@H](C)[C@H](C)SC1CCCC1 1307253080 KZHMKIOVPMKRKE-UWVGGRQHSA-N 186.364 4.097 0 20 AIAD CC1CC(CSC2CCCCC2)C1 1472938442 IERAOTVWFUPVJL-UHFFFAOYSA-N 198.375 4.098 0 20 AIAD CCCC(CCC)SC1CCC1 1472982089 GLLPQZXPDZFJBF-UHFFFAOYSA-N 186.364 4.241 0 20 AIAD CCC(CC)S[C@@H]1C=CCCC1 307979541 NXOZTAOMAHJHRY-LLVKDONJSA-N 184.348 4.017 0 20 AIAD CCC(CC)S[C@@H](C)CC(C)C 1165635375 UQIBJPGAJFWPKY-JTQLQIEISA-N 188.380 4.343 0 20 AIAD CCC(CC)Sc1cccc(F)c1 1643749502 KVIKBNVTMOJBGL-UHFFFAOYSA-N 198.306 4.106 0 20 AIAD CC(C)C[C@@H](C)S[C@@H](C)C(C)C 1651838044 ZWEOLZARWFNIHC-MNOVXSKESA-N 188.380 4.199 0 20 AIAD CC(C)CSC[C@H](C)CC(C)C 1643402578 WMMHQAYPRQLTDQ-LLVKDONJSA-N 188.380 4.058 0 20 AIAD CC(C)CCSC1CCCCC1 32226617 NTESJXGJAOEZFJ-UHFFFAOYSA-N 186.364 4.098 0 20 AIAD CCC[C@@H](C)SCC1CCCC1 1190258174 UERCIZVMUXJPLI-SNVBAGLBSA-N 186.364 4.098 0 20 AIAD CCC[C@@H](CC)SC[C@H](C)CC 1559408191 VSMGVQVFRYBAMM-GHMZBOCLSA-N 188.380 4.344 0 20 AIAD CC1(CSC2CCCCC2)CCC1 1652477911 INXZGCNADIAZKP-UHFFFAOYSA-N 198.375 4.243 0 20 AIAD CC(C)C[C@H](C)SC1CCCC1 1651607278 XKRVGRGWZYVXKK-JTQLQIEISA-N 186.364 4.097 0 20 AIAD Cc1occc1SC1CCCCC1 306342336 ZTKMFCYJYLWNAL-UHFFFAOYSA-N 196.315 4.013 0 20 AIAD C1CCC(CSC2CCCC2)CC1 306613567 KUWGLRJDSKEBSF-UHFFFAOYSA-N 198.375 4.243 0 20 AIAD CCC[C@H](C)Sc1ccccc1C 1613494344 WHMTZLNWVLRAON-NSHDSACASA-N 194.343 4.276 0 20 AIAD CCCC(CCC)SCCCF 388429874 MVVULFCHYNCBRK-UHFFFAOYSA-N 192.343 4.048 0 20 AIAD CC(C)CSC[C@@H](C)CC(C)C 1643402579 WMMHQAYPRQLTDQ-NSHDSACASA-N 188.380 4.058 0 20 AIAD CCCCS[C@H](C)c1ccccc1 37625591 ZAXIJOPXRNXSLX-LLVKDONJSA-N 194.343 4.281 0 20 AIAD CC[C@@H](C)[C@H](C)SC1CCCC1 1307253082 KZHMKIOVPMKRKE-ZJUUUORDSA-N 186.364 4.097 0 20 AIAD CCC(CC)S[C@H](C)CC(C)C 1165635379 UQIBJPGAJFWPKY-SNVBAGLBSA-N 188.380 4.343 0 20 AIAD C1=C[C@H](SC2CCCCC2)CCC1 306433859 YDUAAXZFZSYVHA-NSHDSACASA-N 196.359 4.161 0 20 AIAD CCCCCSC1CCCCC1 32226492 RKCRLYNCLIKFOM-UHFFFAOYSA-N 186.364 4.243 0 20 AIAD CC(C)(C)CSC1CCCCC1 149965251 VASMXCVBSOZIHW-UHFFFAOYSA-N 186.364 4.098 0 20 AIAD CC[C@H](C)SC(CC)(CC)CC 1559398523 XJBVDSDVJAXQDR-JTQLQIEISA-N 188.380 4.487 0 20 AIAD CC1(CSCC2CC2)CCCCC1 1189381357 NQDOBYYXENVPII-UHFFFAOYSA-N 198.375 4.100 0 20 AIAD CCCCCSC(CC)CC 141780531 IMMHIGOTAAVBEW-UHFFFAOYSA-N 174.353 4.098 0 20 AIAD CCC[Si](C)(CCC)CCC 195782574 KWJGAZUCDCAJLU-UHFFFAOYSA-N 172.388 4.295 0 20 AIAD CC[C@H](C)[C@H](C)Sc1ccccc1 1656053635 IVRKVBRROXXRBD-QWRGUYRKSA-N 194.343 4.213 0 20 AIAD CCCCS[C@@H](C)c1ccccc1 37625590 ZAXIJOPXRNXSLX-NSHDSACASA-N 194.343 4.281 0 20 AIAD CCC[C@@H](CC)SCSCC 382167708 VJUXWNADRNDECG-SECBINFHSA-N 192.393 4.009 0 20 AIAD Cc1occc1SCCC(C)(C)C 1473016588 ZSUIKENYYMMJPD-UHFFFAOYSA-N 198.331 4.116 0 20 AIAD CCC(CC)SCCC(C)(C)C 1640901039 VVEWWHAZMVBDLP-UHFFFAOYSA-N 188.380 4.344 0 20 AIAD CCC(CC)Sc1ccc(F)cc1 1187987041 KLONLJMMCBCEIU-UHFFFAOYSA-N 198.306 4.106 0 20 AIAD CC[C@@H](C)SCc1ccccc1C 388744347 YRGQFBPLLPTBCN-LLVKDONJSA-N 194.343 4.027 0 20 AIAD CCC[C@H](C)SCC1CCCC1 1190258172 UERCIZVMUXJPLI-JTQLQIEISA-N 186.364 4.098 0 20 AIAD CCC[C@H](C)SC/C(C)=C/Cl 307903413 PHIWOCVYLUMUDK-ORZBULNSSA-N 192.755 4.051 0 20 AIAD C[Si](C)(C)CC=Cc1ccccc1 1857776773 QSOKYXQHVHZSER-UHFFFAOYSA-N 190.362 4.038 0 20 AIAD CC(C)c1ccc(Cl)cc1Cl 88245225 RZEAFTDKXQTDJE-UHFFFAOYSA-N 189.085 4.117 0 20 AIAD c1cc2cc3ccsc3cc2s1 32224047 GDVHFOZYTHGPGZ-UHFFFAOYSA-N 190.292 4.116 0 20 AIAD CCCCNc1cccc(C(C)C)c1 21519030 BLTZTOIFMJTUPN-UHFFFAOYSA-N 191.318 4.022 0 20 AIAD CCCCSCc1ccc(C)cc1 39212364 SAJQGCZDCMUNBU-UHFFFAOYSA-N 194.343 4.028 0 20 AIAD CCCC(CCC)SCC(C)C 1643665333 SNUWLUSNLUJRTI-UHFFFAOYSA-N 188.380 4.344 0 20 AIAD CCC[C@@H](C)SC/C(C)=C\Cl 307903412 PHIWOCVYLUMUDK-JGAIRUGNSA-N 192.755 4.051 0 20 AIAD CCCCCCSC1CCCC1 32183952 WCNZLOREXFVTDK-UHFFFAOYSA-N 186.364 4.243 0 20 AIAD CCC[C@H](CC)SCSCC 382167709 VJUXWNADRNDECG-VIFPVBQESA-N 192.393 4.009 0 20 AIAD CCCC[C@H](C)N(CCC)CCCC 1654530081 KVNQNLQKBNJVQB-ZDUSSCGKSA-N 199.382 4.077 0 20 AIAD CC[C@@H](C)SCc1cccc(C)c1 308504552 YOWUOBDNNVAOEQ-LLVKDONJSA-N 194.343 4.027 0 20 AIAD Cc1occc1S[C@H](C)CC(C)C 1613703233 OTSNWQBIZIMRSO-SECBINFHSA-N 198.331 4.115 0 20 AIAD C1CCC(SCCC2CCC2)CC1 1643506767 KOPJXYIEFNGXPZ-UHFFFAOYSA-N 198.375 4.243 0 20 AIAD CCC[C@H](CC)SCCCCF 307990358 SSNIMXQRMUSQJC-JTQLQIEISA-N 192.343 4.048 0 20 AIAD CC1(C)CCC(SC2CCC2)CC1 1307330648 XABONMJYKVSJLL-UHFFFAOYSA-N 198.375 4.241 0 20 AIAD CCC[C@@H](CC)SCC1CCC1 1613757353 WGAWKYAARWTIDQ-LLVKDONJSA-N 186.364 4.098 0 20 AIAD CC(C)S[C@@H](C)c1ccccc1F 306172339 ZHJOAZPPXQOZJT-VIFPVBQESA-N 198.306 4.028 0 20 AIAD CC[C@H](C)[C@@H](C)SCC(C)(C)C 201897588 YCIYGCIKARZYPT-VHSXEESVSA-N 188.380 4.200 0 20 AIAD CC(C)[C@H](C)SCCC(C)(C)C 1652686090 MELLJXOBVAIQGT-JTQLQIEISA-N 188.380 4.200 0 20 AIAD C1=C[C@@H](SC2CCCCC2)CCC1 306433858 YDUAAXZFZSYVHA-LLVKDONJSA-N 196.359 4.161 0 20 AIAD CC(C)(C)C1CCC(C(F)F)CC1 585164027 ZDIALGPJKJALAR-UHFFFAOYSA-N 190.277 4.104 0 20 AIAD CC[C@@H](C)SC(CC)(CC)CC 1559398524 XJBVDSDVJAXQDR-SNVBAGLBSA-N 188.380 4.487 0 20 AIAD CCC(CC)CSC(CC)CC 1651797492 XLHKSMMPDCZMJJ-UHFFFAOYSA-N 188.380 4.344 0 20 AIAD CCC(CC)S[C@@H]1CC[C@@H](C)C1 1472986692 IMXNTNBOGHOMRO-MWLCHTKSSA-N 186.364 4.097 0 20 AIAD CCCC(CCC)S[C@H](C)CC 1656240381 SIUHHKPHKIJKNX-SNVBAGLBSA-N 188.380 4.487 0 20 AIAD CCC[C@H](CC)SCC1CCC1 1613757354 WGAWKYAARWTIDQ-NSHDSACASA-N 186.364 4.098 0 20 AIAD CC(C)C[C@H](C)S[C@@H](C)C(C)C 1651838045 ZWEOLZARWFNIHC-QWRGUYRKSA-N 188.380 4.199 0 20 AIAD CC[C@H](C)SCC1CCCCC1 307974711 JYUWQPKRRMANIG-JTQLQIEISA-N 186.364 4.098 0 20 AIAD CCC[C@@H](CC)SC[C@@H](C)CC 1559408194 VSMGVQVFRYBAMM-WDEREUQCSA-N 188.380 4.344 0 20 AIAD CC[C@@H](C)SCC1CCCCC1 307974712 JYUWQPKRRMANIG-SNVBAGLBSA-N 186.364 4.098 0 20 AIAD CCC(CC)CSC[C@@H](C)CC 1473005218 IUDIQNWTNANCHF-JTQLQIEISA-N 188.380 4.202 0 20 AIAD CC(C)SCCC1CCCCC1 379314449 NKHABCHPFQZPFK-UHFFFAOYSA-N 186.364 4.098 0 20 AIAD CCCS[C@@H](C)c1ccccc1F 379405167 SRKMPGWOXITCBF-VIFPVBQESA-N 198.306 4.030 0 20 AIAD CCC[C@H](CC)SC/C=C/Cl 307882490 RLRXTANHVJDZHA-IWGCBNPKSA-N 192.755 4.051 0 20 AIAD CS[C@H](C)c1c(C)cc(C)cc1C 306224239 ZIXZTAKYNBBHTK-LLVKDONJSA-N 194.343 4.036 0 20 AIAD CC[C@@H](C)Sc1ccc(C)c(C)c1 1652447464 NDEMYFNCCLDXDK-LLVKDONJSA-N 194.343 4.194 0 20 AIAD CC[C@@H](C)CS[C@H](C)CC(C)C 1643785553 SWLKEMRMRZHSPF-GHMZBOCLSA-N 188.380 4.200 0 20 AIAD CCC(C)(C)CCSC1CCC1 1189391987 TYMYACUGMSDCKW-UHFFFAOYSA-N 186.364 4.098 0 20 AIAD C1CCCC(CSC2CCC2)CC1 1652848820 KAOMAEYEPUGYAA-UHFFFAOYSA-N 198.375 4.243 0 20 AIAD CCC[C@@H](CC)SC(CC)CC 1643905338 MTKWTLCXLZASFR-LLVKDONJSA-N 188.380 4.487 0 20 AIAD CC[C@H](C)[C@@H](C)SC1CCCC1 1307253081 KZHMKIOVPMKRKE-VHSXEESVSA-N 186.364 4.097 0 20 AIAD CC1(C)CC[C@@H](SC2CCCC2)C1 1643430332 PZVLOSZQESGESS-LLVKDONJSA-N 198.375 4.241 0 20 AIAD CC[C@H](C)CS[C@H](C)CC(C)C 1643785556 SWLKEMRMRZHSPF-WDEREUQCSA-N 188.380 4.200 0 20 AIAD CCCS[C@@H](C)c1cccc(C)c1 308435582 WEUJUEJOOJEJCY-NSHDSACASA-N 194.343 4.199 0 20 AIAD C[C@H]1CCC[C@H](SC2CCCC2)C1 307533644 MUHSVFKKIUXOSN-JQWIXIFHSA-N 198.375 4.241 0 20 AIAD CCC(CC)CSC[C@H](C)CC 1473005219 IUDIQNWTNANCHF-SNVBAGLBSA-N 188.380 4.202 0 20 AIAD CCC[C@H](C)Sc1ccc(F)cc1 1187987258 OVVAYUGYZRGGJD-VIFPVBQESA-N 198.306 4.106 0 20 AIAD CCC(CC)S[C@H]1C=CCCC1 307979542 NXOZTAOMAHJHRY-NSHDSACASA-N 184.348 4.017 0 20 AIAD CCC[C@H](C)SC/C(C)=C\Cl 307903414 PHIWOCVYLUMUDK-XZLDQRQTSA-N 192.755 4.051 0 20 AIAD CCC[C@@H](C)Sc1ccccc1C 1613494343 WHMTZLNWVLRAON-LLVKDONJSA-N 194.343 4.276 0 20 AIAD c1csc(SCC2CCCC2)c1 306781117 BQHBQMDLDPQZEV-UHFFFAOYSA-N 198.356 4.030 0 20 AIAD CCC(CC)CSc1ccoc1C 1651920320 LHNNYFFTIIMFRL-UHFFFAOYSA-N 198.331 4.116 0 20 AIAD C=Cc1cccc(Oc2ccccc2)c1 33978618 QDCUAHOXDLTZCU-UHFFFAOYSA-N 196.249 4.122 0 20 AIAD CCC[C@H](CC)SC/C=C\Cl 307882491 RLRXTANHVJDZHA-PGBBXKAQSA-N 192.755 4.051 0 20 AIAD CC[C@H](C)[C@H](C)SCC(C)(C)C 201897636 YCIYGCIKARZYPT-UWVGGRQHSA-N 188.380 4.200 0 20 AIAD CC[C@@H](C)[C@@H](C)Sc1ccccc1 224510942 IVRKVBRROXXRBD-GHMZBOCLSA-N 194.343 4.213 0 20 AIAD CC(C)S[C@H](C)c1ccccc1F 306172337 ZHJOAZPPXQOZJT-SECBINFHSA-N 198.306 4.028 0 20 AIAD C1CCCC(CSCC2CC2)CC1 1307351673 ZHJDWLRSHROAFB-UHFFFAOYSA-N 198.375 4.100 0 20 AIAD CCC(CC)S[C@H]1CC[C@@H](C)C1 1472986691 IMXNTNBOGHOMRO-KOLCDFICSA-N 186.364 4.097 0 20 AIAD CC[C@H](C)[C@H](C)Sc1ccoc1C 1643847324 NQLNHLPFNDEGBJ-WPRPVWTQSA-N 198.331 4.115 0 20 AIAD Cc1ccccc1S[C@H](C)C(C)C 1472981132 TWRJEUJAIQHMBI-LLVKDONJSA-N 194.343 4.132 0 20 AIAD CCC[C@@H](C)Sc1ccc(F)cc1 1187987257 OVVAYUGYZRGGJD-SECBINFHSA-N 198.306 4.106 0 20 AIAD CCC(CC)(CC)SC1CCC1 1651920067 GRGMUIAZLIBCEG-UHFFFAOYSA-N 186.364 4.241 0 20 AIAD CCC[C@@H](C)Sc1cccc(C)c1 1188685556 ZABPSWMGOBDBKZ-LLVKDONJSA-N 194.343 4.276 0 20 AIAD Cc1ccc(SCC(C)C)c(C)c1 307752079 QGKWGWISBZGCLP-UHFFFAOYSA-N 194.343 4.052 0 20 AIAD CC(C)[C@@H](C)SCCC(C)(C)C 1652686092 MELLJXOBVAIQGT-SNVBAGLBSA-N 188.380 4.200 0 20 AIAD Cc1ccc(C)c(SCC(C)C)c1 145063554 ZEHPUCIBMIYHFA-UHFFFAOYSA-N 194.343 4.052 0 20 AIAD CCC[C@H](C)SC1CCCCC1 1643506871 PIPVQERNGQHKHC-JTQLQIEISA-N 186.364 4.241 0 20 AIAD CCC[C@H](CC)S[C@H](C)CC 1307339746 QSGLTIMNEBJFFO-ZJUUUORDSA-N 174.353 4.097 0 20 AIAD CCCCSCc1ccccc1C 41392900 YDTZJWJYFZCIRK-UHFFFAOYSA-N 194.343 4.028 0 20 AIAD CCC[C@H](C)Sc1cccc(C)c1 1188685557 ZABPSWMGOBDBKZ-NSHDSACASA-N 194.343 4.276 0 20 AIAD Cc1ccc(C)c(Nc2ccccc2)c1 91363892 QCIPGRGZZUTJAG-UHFFFAOYSA-N 197.281 4.047 0 20 AIAD CCC(CC)SCc1ccccc1 379402273 MQVKKMPLFHOOCB-UHFFFAOYSA-N 194.343 4.108 0 20 AIAD 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307533643 MUHSVFKKIUXOSN-CMPLNLGQSA-N 198.375 4.241 0 20 AIAD CC(C)c1ccc(-c2ccccc2)o1 39262466 YGXIUPROSBDDDI-UHFFFAOYSA-N 186.254 4.070 0 20 AIAD CCC(CC)S[C@H]1CC[C@H](C)C1 1472986695 IMXNTNBOGHOMRO-ONGXEEELSA-N 186.364 4.097 0 20 AIAD CCCS[C@H](C)c1cccc(C)c1 308435581 WEUJUEJOOJEJCY-LLVKDONJSA-N 194.343 4.199 0 20 AIAD CCCC(CCC)S[C@@H](C)CC 1656240380 SIUHHKPHKIJKNX-JTQLQIEISA-N 188.380 4.487 0 20 AIAD C[C@H](SC1CCC1)c1ccccc1 1166212001 UDDGGEVVMMHYLK-JTQLQIEISA-N 192.327 4.033 0 20 AIAD CCSCc1ccc(C(C)C)cc1 201355118 PYUKLQOEPHWGJC-UHFFFAOYSA-N 194.343 4.063 0 20 AIAD C1CCC(CSCC2CCCC2)C1 165367055 WXRWASLWGVBFOT-UHFFFAOYSA-N 198.375 4.100 0 20 AIAD CCC[C@@H](CC)SC/C=C/Cl 307882492 RLRXTANHVJDZHA-VPIOIWJLSA-N 192.755 4.051 0 20 AIAD CC1(CSCC2CCCC2)CCC1 1615043859 UYBCNFHBSNTPKD-UHFFFAOYSA-N 198.375 4.100 0 20 AIAD CCC[C@H](CC)SC[C@H](C)CC 1559408192 VSMGVQVFRYBAMM-MNOVXSKESA-N 188.380 4.344 0 20 AIAD CCCC[C@@H](C)N(CCC)CCCC 1654530080 KVNQNLQKBNJVQB-CYBMUJFWSA-N 199.382 4.077 0 20 AIAD CCC(CC)S[C@@H]1CC[C@H](C)C1 1472986689 IMXNTNBOGHOMRO-GXSJLCMTSA-N 186.364 4.097 0 20 AIAD CCC(CC)Sc1cccs1 307757104 KBRXXHPXJDEVCI-UHFFFAOYSA-N 186.345 4.029 0 20 AIAD CCC[C@@H](C)Sc1cccc(F)c1 1165768712 JOFQKUOAZOTXMP-SECBINFHSA-N 198.306 4.106 0 20 AIAD c1ccc2cc(-c3ccoc3)ccc2c1 671638265 MXVZEJMMPRWGCF-UHFFFAOYSA-N 194.233 4.100 0 20 AIAD CCC[C@@H](CC)SC/C=C\Cl 307882494 RLRXTANHVJDZHA-WILPJHFFSA-N 192.755 4.051 0 20 AIAD CCC[C@@H](C)Sc1ccccc1F 1188539152 JOXKLPDSHWCXOQ-SECBINFHSA-N 198.306 4.106 0 20 AIAD CC[C@@H](C)CS[C@@H](C)CC(C)C 1643785554 SWLKEMRMRZHSPF-MNOVXSKESA-N 188.380 4.200 0 20 AIAD CCCCNc1ccc(C(C)C)cc1 21799227 JGPGQTYTRGMBDM-UHFFFAOYSA-N 191.318 4.022 0 20 AIAD CCCCCCSCCCCF 308047448 QDSGVEHISXRXBF-UHFFFAOYSA-N 192.343 4.050 0 20 AIAD CCC(CC)SCSC(C)C 863299435 KQSOGHQODIBSDH-UHFFFAOYSA-N 192.393 4.007 0 20 AIAD CCC[C@H](C)SC(CC)CC 1458945695 KISJCBBTQZCSDO-VIFPVBQESA-N 174.353 4.097 0 20 AIAD CC[C@H](C)Sc1cc(C)ccc1C 1640689567 STWZQECFLITDFK-NSHDSACASA-N 194.343 4.194 0 20 AIAD CC[C@@H](C)CSc1cccc(C)c1 1656243267 LTQKYYCJXKIOIM-SNVBAGLBSA-N 194.343 4.133 0 20 AIAD CCC[C@H](CC)SC[C@@H](C)CC 1559408193 VSMGVQVFRYBAMM-QWRGUYRKSA-N 188.380 4.344 0 20 AIAD C=Cc1ccccc1Oc1ccccc1 102279188 JGRGYZHMKFNQGZ-UHFFFAOYSA-N 196.249 4.122 0 20 AIAD CC(C)C[C@@H](C)S[C@H](C)C(C)C 1651838043 ZWEOLZARWFNIHC-GHMZBOCLSA-N 188.380 4.199 0 20 AIAD CC[C@H](C)CS[C@@H](C)[C@@H](C)CC 1651873899 XYRJAYJJRHTFSU-DCAQKATOSA-N 188.380 4.200 0 20 AIAD CC[C@@H](SC(C)C)c1ccccc1 379366838 SWCGZMWZAYVRKI-GFCCVEGCSA-N 194.343 4.279 0 20 AIAD CCC[C@@H](CC)S[C@@H](C)CC 1307339744 QSGLTIMNEBJFFO-VHSXEESVSA-N 174.353 4.097 0 20 AIAD C[C@@H](SC1CCC1)c1ccccc1 1166212002 UDDGGEVVMMHYLK-SNVBAGLBSA-N 192.327 4.033 0 20 AIAD C1CCC(CCSC2CCCC2)C1 308344356 UDMWCQROVKEKPS-UHFFFAOYSA-N 198.375 4.243 0 20 AIAD CC[C@H](C)CS[C@@H](C)CC(C)C 1643785555 SWLKEMRMRZHSPF-QWRGUYRKSA-N 188.380 4.200 0 20 AIAD CC[C@H](C)SCc1ccccc1C 388744351 YRGQFBPLLPTBCN-NSHDSACASA-N 194.343 4.027 0 20 AIAD CCC(CC)SCC1CCCC1 379329588 VJTBYZNMRUTPKV-UHFFFAOYSA-N 186.364 4.098 0 20 AIAD