smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCC(CC)=C(C)C1CCCCC1 138902254 OKUNFCUAPUTMHR-UHFFFAOYSA-N 180.335 4.703 0 30 AJAC CCCCC1=C[C@H]2CC[C@@]1(C)C2(C)C 114379617 KWSSUXIEHAITGW-BXUZGUMPSA-N 192.346 4.559 0 30 AJAC CC1C(C)(C)C2=C(CCCC2)C1(C)C 90375497 CDEGOUYLXTUDAU-UHFFFAOYSA-N 192.346 4.559 0 30 AJAC CCC1=C(CC)C(CC)=C(CC)C1 104396273 MBRJEKTWCTVQKS-UHFFFAOYSA-N 178.319 4.623 0 30 AJAC CC(C)c1cccc(C(C)C)c1Cl 78811274 JQFVRQDQQXRLBG-UHFFFAOYSA-N 196.721 4.587 0 30 AJAC CC(C)CC1=C2CCCC[C@@]2(C)CC1 136577877 BPTHDNDBUOBTAC-AWEZNQCLSA-N 192.346 4.703 0 30 AJAC CCC/C=C\CCC[C@@H](C)CC 137631690 MRDXRMFXCKZKKF-KRZKBDHCSA-N 168.324 4.559 0 30 AJAC CC/C=C/CCCC[C@H](C)CC 117750011 RTETXCZSLJTHLA-NNNHXZLVSA-N 168.324 4.559 0 30 AJAC CC/C=C/CCCC[C@@H](C)CC 117750010 RTETXCZSLJTHLA-SYTKJHMZSA-N 168.324 4.559 0 30 AJAC CCCCC/C=C\CC(C)(C)C 137584233 HQDWNPKZYKUYFJ-KTKRTIGZSA-N 168.324 4.559 0 30 AJAC CC(C)CC1=C2CCCC[C@]2(C)CC1 136577829 BPTHDNDBUOBTAC-CQSZACIVSA-N 192.346 4.703 0 30 AJAC CCCCCC[C@@H](C)C/C=C/OCC 38647119 DOKCVINUNJXDFD-CNELAYHGSA-N 198.350 4.533 0 30 AJAC CCCCCC[C@H](C)C/C=C/OCC 38647124 DOKCVINUNJXDFD-SRXBQZRASA-N 198.350 4.533 0 30 AJAC CCC/C=C\CCC[C@H](C)CC 137631773 MRDXRMFXCKZKKF-QDZRJHCZSA-N 168.324 4.559 0 30 AJAC