smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c(S(=O)(=O)F)c1 ZINC001164966277 722062517 /nfs/dbraw/zinc/06/25/17/722062517.db2.gz PPMACOUWABXKJK-UHFFFAOYSA-N 1 2 478.546 2.040 20 70 JEIDLO COC(=O)c1cnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c(S(=O)(=O)F)c1 ZINC001164966277 722062518 /nfs/dbraw/zinc/06/25/18/722062518.db2.gz PPMACOUWABXKJK-UHFFFAOYSA-N 1 2 478.546 2.040 20 70 JEIDLO