smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000514391475 1066323521 /nfs/dbraw/zinc/32/35/21/1066323521.db2.gz KVCXVVXRBYQBFQ-UHFFFAOYSA-N 0 3 532.736 2.259 20 30 KEEDHN C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3F)C(=O)N(Cc3cccc(N4CC(N5CCN(CC)CC5)C4)n3)C[C@@H]2N1C(=O)NCc1ccccc1 ZINC001250305025 1066428218 /nfs/dbraw/zinc/42/82/18/1066428218.db2.gz ZGNKNLOBYFTGRG-GIWKVKTRSA-N 0 3 725.870 2.489 20 30 KEEDHN