smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)C(=[NH2+])SCCc1c[nH]c[nH+]1 28239927 171047454 /nfs/dbraw/zinc/04/74/54/171047454.db2.gz YDTYFNQXSJASNT-UHFFFAOYSA-N 2 2 198.295 1.182 1 0 ADAFLP CN(C)C(=[NH2+])SCCc1c[nH+]c[nH]1 28239927 171047457 /nfs/dbraw/zinc/04/74/57/171047457.db2.gz YDTYFNQXSJASNT-UHFFFAOYSA-N 2 2 198.295 1.182 1 0 ADAFLP