smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N+](C)(CC)CCC[NH2+][C@H](c1ccc(OC)cc1)C(Cl)(Cl)Cl ZINC000031939012 570507664 /nfs/dbraw/zinc/50/76/64/570507664.db2.gz IQTKDFUCKTYFDY-MRXNPFEDSA-N 2 2 382.783 4.573 40 5 GJBBLP CC[N+](C)(CC)CCC[NH2+][C@@H](c1ccc(OC)cc1)C(Cl)(Cl)Cl ZINC000031939010 570507711 /nfs/dbraw/zinc/50/77/11/570507711.db2.gz IQTKDFUCKTYFDY-INIZCTEOSA-N 2 2 382.783 4.573 40 5 GJBBLP