smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCCCCCC1(CBr)CCC1 85050859 HKNNWBWFIJGIHQ-UHFFFAOYSA-N 233.193 4.522 50 20 BJGD CCC[C@H](C)C[C@@H](CBr)CCC 85052561 HOXUCUXDJVRABX-QWRGUYRKSA-N 235.209 4.624 50 20 BJGD CC(C)c1ccc(N=C=S)c2ccccc12 725326870 BTJZGIBCVOHCJE-UHFFFAOYSA-N 227.332 4.698 50 20 BJGD CCC[C@@](C)(CBr)CCC(C)C 85051543 JLXQNYGIRIYGOW-LLVKDONJSA-N 235.209 4.624 50 20 BJGD CCCCCCC[C@@H](CC)CBr 116646257 HXWLQRAVUCMLHH-LLVKDONJSA-N 235.209 4.768 50 20 BJGD CCCCC[C@H](CBr)CC(C)C 85052422 VWEJRQPRFWXDLH-NSHDSACASA-N 235.209 4.624 50 20 BJGD CCCCC[C@@H](CBr)CC(C)C 85052423 VWEJRQPRFWXDLH-LLVKDONJSA-N 235.209 4.624 50 20 BJGD Cc1ccccc1C(Cl)c1ccccc1C 150202802 BDKVUSHDWONRDM-UHFFFAOYSA-N 230.738 4.632 50 20 BJGD CCC[C@](C)(CBr)CCC(C)C 85051542 JLXQNYGIRIYGOW-NSHDSACASA-N 235.209 4.624 50 20 BJGD CCC[C@](C)(CBr)C[C@@H](C)CC 85051625 KUPDECPJRWCJNV-QWRGUYRKSA-N 235.209 4.624 50 20 BJGD CCCCCC1(CBr)CCCC1 85051400 WDKWSLWTBLGKLQ-UHFFFAOYSA-N 233.193 4.522 50 20 BJGD CCC[C@H](CBr)C[C@H](C)CCC 85052560 HOXUCUXDJVRABX-MNOVXSKESA-N 235.209 4.624 50 20 BJGD CCC[C@@](C)(CBr)C[C@@H](C)CC 85051626 KUPDECPJRWCJNV-WDEREUQCSA-N 235.209 4.624 50 20 BJGD CCCC[C@H](CC)C[C@@H](C)CBr 85052072 OTAQQPXRJLSAOA-MNOVXSKESA-N 235.209 4.624 50 20 BJGD CCCC[C@@H](CC)C[C@H](C)CBr 85052073 OTAQQPXRJLSAOA-WDEREUQCSA-N 235.209 4.624 50 20 BJGD ClCc1c(-c2ccccc2)oc2ccccc12 196121392 VNPJNKVNAPPJFX-UHFFFAOYSA-N 242.705 4.839 50 20 BJGD CCCCCCC[C@H](CC)CBr 116646260 HXWLQRAVUCMLHH-NSHDSACASA-N 235.209 4.768 50 20 BJGD C=C(O[Si](C)(C)C(C)(C)C)c1ccccc1 195862529 YIWBKTYVIOLLRI-UHFFFAOYSA-N 234.415 4.679 50 20 BJGD CCCCCC(CC)(CC)CBr 85051795 MLMQNOBKUNVWSX-UHFFFAOYSA-N 235.209 4.768 50 20 BJGD CCCC[C@H](CC)C[C@H](C)CBr 85052074 OTAQQPXRJLSAOA-QWRGUYRKSA-N 235.209 4.624 50 20 BJGD Cc1cccc(C(Cl)c2cccc(C)c2)c1 137631220 LGHZDEQZBPIRRN-UHFFFAOYSA-N 230.738 4.632 50 20 BJGD CCCCCCCC(C)(C)CBr 116641860 SEEUQMSXVQPBIC-UHFFFAOYSA-N 235.209 4.768 50 20 BJGD CCC[C@@H](C)C[C@H](CBr)CCC 85052558 HOXUCUXDJVRABX-GHMZBOCLSA-N 235.209 4.624 50 20 BJGD CCC[C@@](C)(CBr)C[C@H](C)CC 85051628 KUPDECPJRWCJNV-GHMZBOCLSA-N 235.209 4.624 50 20 BJGD CCC(CC)(CBr)CCC(C)C 85051794 BRBRQRVWQMRBAG-UHFFFAOYSA-N 235.209 4.624 50 20 BJGD CCCC[C@@H](CC)C[C@@H](C)CBr 85052071 OTAQQPXRJLSAOA-GHMZBOCLSA-N 235.209 4.624 50 20 BJGD CCNc1ccc(S(F)(F)(F)(F)F)cc1 689634491 QNMQNJIVZRUVPK-UHFFFAOYSA-N 247.232 4.776 50 20 BJGD CCC[C@](C)(CBr)C[C@H](C)CC 85051627 KUPDECPJRWCJNV-MNOVXSKESA-N 235.209 4.624 50 20 BJGD CCNc1cccc(S(F)(F)(F)(F)F)c1 186154030 XPKZWDCUDTWGKJ-UHFFFAOYSA-N 247.232 4.776 50 20 BJGD CCC[C@H](C)C[C@H](CBr)CCC 85052559 HOXUCUXDJVRABX-WDEREUQCSA-N 235.209 4.624 50 20 BJGD