smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=S(=O)(F)/C=C/C=C/c1ccc(C(F)(F)F)cc1 1857613708 MKJRTYCDPMUVRS-OWEXKTHJSA-N 280.242 3.532 70 1 CHIF Cc1ccc(-c2cc3[nH]c(NC(C)C)nc(=O)c3s2)cc1 217084245 MZMQTACIOOLMBN-UHFFFAOYSA-N 299.399 3.780 70 1 CHIF CC(=O)O[C@@H](C)c1cccc(O)c1C(=O)CCC=C(C)C 216715795 UHFBXPBYRWHYTC-LBPRGKRZSA-N 290.359 3.945 70 1 CHIF Cc1ccccc1C(=O)NCC1(c2cccnc2)CCCC1 217358389 YZSHNJLAVFLXCZ-UHFFFAOYSA-N 294.398 3.632 70 1 CHIF CCCNc1nc(=O)c2sc(-c3ccc(C)cc3)cc2[nH]1 217084214 BMTNHMDOUBTOIS-UHFFFAOYSA-N 299.399 3.782 70 1 CHIF COc1cccc(COC(C)=O)c1C(=O)CCC=C(C)C 216715672 JSYNLMGRSVKNQH-UHFFFAOYSA-N 290.359 3.687 70 1 CHIF O=S(=O)(F)/C=C/C=C/c1ccccc1C(F)(F)F 1857579759 RYPQYLIDYIUQEG-PHQNLGIASA-N 280.242 3.532 70 1 CHIF O=S(=O)(F)/C=C/C=C/c1cccc(C(F)(F)F)c1 1857608297 NWGFYTLRPPYICJ-BQJQTIKASA-N 280.242 3.532 70 1 CHIF O=S(=O)(F)CCCCCCCCc1ccccc1 95572902 ZKKIPZITHIMMRA-UHFFFAOYSA-N 272.385 3.869 70 1 CHIF COc1ccc2nc(Cl)c(NCc3ccccc3)nc2c1 216689384 SQUWZOHKWJIPIY-UHFFFAOYSA-N 299.761 3.904 70 1 CHIF CC(C)(C)Nc1nc(=O)c2sc(-c3ccccc3)cc2[nH]1 217084144 OYHBENQSWAELTR-UHFFFAOYSA-N 299.399 3.862 70 1 CHIF O=S(=O)(F)/C=C/c1ccc(Oc2ccccc2)cc1 1857559717 ZZOGVZSQCXASQO-ZHACJKMWSA-N 278.304 3.749 70 1 CHIF O=S(=O)(F)/C=C/C=C/c1ccc2ccccc2c1 1857741869 JVEUWJBYQPDEHG-OXWOXFIQSA-N 262.305 3.666 70 1 CHIF COc1ccccc1-c1ncc(-c2ccccc2)[nH]1 217924652 CLNXSJRYBFPWFP-UHFFFAOYSA-N 250.301 3.752 70 1 CHIF CCCCNc1nc2cc(OC)ccc2nc1Cl 216689260 SISWURDPHCVGBY-UHFFFAOYSA-N 265.744 3.504 70 1 CHIF F[B-](F)(F)COCc1ccccc1C#Cc1ccccc1 198332632 GIOMKMMEKKYDHV-UHFFFAOYSA-N 289.085 3.990 70 3 CHIF O=S(=O)(F)/C=C/c1cccc2c1oc1ccccc12 1857556394 QLWRUIIJAYJIHD-CMDGGOBGSA-N 276.288 3.856 70 1 CHIF O=S(=O)(F)/C=C/c1ccc(-c2ccccc2)cc1 1857556319 FPGZOKKVFSBSMI-ZHACJKMWSA-N 262.305 3.624 70 1 CHIF F[B-](F)(F)c1cc2cc(Br)ccc2s1 195372660 CHZOYPIPELURDA-UHFFFAOYSA-N 279.897 3.718 70 3 CHIF O=S(=O)(F)/C=C/c1cccc(-c2ccccc2)c1 1857607248 DTTUXKCBCDGNGW-MDZDMXLPSA-N 262.305 3.624 70 1 CHIF CC(C)Cc1cc(O)c(-c2ccccc2Cl)c(=O)[nH]1 217676618 FLVAUEQMNZDREN-UHFFFAOYSA-N 277.751 3.599 70 1 CHIF CC(C)(C)c1ccc(/C=C/C=C/S(=O)(=O)F)cc1 1857548192 ICTODQNRFDVGJD-KGUOMNFLSA-N 268.353 3.810 70 1 CHIF