smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc(NC(=O)N2CCN(C(=O)CN)C[C@@H]2C(=O)N[C@H]2CCCNC2=O)c1 ZINC000005433790 291306750 /nfs/dbraw/zinc/30/67/50/291306750.db2.gz ZDJBHJCUFIPQRW-JKSUJKDBSA-N 0 3 432.481 -0.907 10 0 IBAEHN CN(CC(=O)N1CCOCC1)C(=O)c1ccc(N2CCNCC2)c(NS(C)(=O)=O)c1 ZINC000033033152 556713850 /nfs/dbraw/zinc/71/38/50/556713850.db2.gz JWVQHYDZZXRDSX-UHFFFAOYSA-N 0 3 439.538 -0.602 10 0 IBAEHN