smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features c1csc(SC2CCCCC2)n1 222957816 CBWYHKSRMDGHCB-UHFFFAOYSA-N 199.344 3.568 10 20 AHCD C[C@@H]1C[C@@H](N=[N+]=[N-])CC(C)(C)C1 409424293 UGLGCUPVDPTXOJ-HTQZYQBOSA-N 167.256 3.512 10 20 AHCD CCCC[C@H](CC)CN=[N+]=[N-] 39193487 YURBHRXXOPAJSS-QMMMGPOBSA-N 155.245 3.513 10 20 AHCD CC(C)=CCCSc1nccs1 1327536907 ZMJZFFJSJUBMRY-UHFFFAOYSA-N 199.344 3.592 10 20 AHCD C[C@H]1C[C@H](N=[N+]=[N-])CC(C)(C)C1 409424299 UGLGCUPVDPTXOJ-YUMQZZPRSA-N 167.256 3.512 10 20 AHCD CC(C)(C)C1CCC(N=[N+]=[N-])CC1 196084246 KGWVOMSPCIUBES-UHFFFAOYSA-N 181.283 3.902 10 20 AHCD C[C@H]1C[C@@H](N=[N+]=[N-])CC(C)(C)C1 409424296 UGLGCUPVDPTXOJ-JGVFFNPUSA-N 167.256 3.512 10 20 AHCD C[C@@H]1C[C@H](N=[N+]=[N-])CC(C)(C)C1 409424298 UGLGCUPVDPTXOJ-SFYZADRCSA-N 167.256 3.512 10 20 AHCD Cc1ccc2ccccc2c1CN=[N+]=[N-] 1537961903 NRRQZRVJTVTXEY-UHFFFAOYSA-N 197.241 3.959 10 20 AHCD CC/C=C\CCSc1nccs1 307951902 OOAVKZMKFLLZOF-ARJAWSKDSA-N 199.344 3.592 10 20 AHCD CC/C=C/CCSc1nccs1 307951903 OOAVKZMKFLLZOF-ONEGZZNKSA-N 199.344 3.592 10 20 AHCD CCCC[C@@H](CC)CN=[N+]=[N-] 39193485 YURBHRXXOPAJSS-MRVPVSSYSA-N 155.245 3.513 10 20 AHCD