smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC#CCn1cc2c3c1cccc3[C@H](CC(C)C)[NH2+][C@H](C(=O)N1CC[NH+](CCO)CC1)C2 ZINC000049171957 519347126 /nfs/dbraw/zinc/34/71/26/519347126.db2.gz ADDKRQKAOUGRFL-GOTSBHOMSA-N 2 2 436.600 2.403 10 30 IEEELP C=CCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@@H]([NH2+]Cc1ccc(F)c(F)c1)C2 ZINC000091897688 519290097 /nfs/dbraw/zinc/29/00/97/519290097.db2.gz AOPIDFSZMWBALM-QGZVFWFLSA-N 2 2 429.515 2.382 10 30 IEEELP