smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2nc3cc(Cl)ccc3c(NCCC[NH2+]CC[C@@H](C)O)c2c1 ZINC000006491718 570481378 /nfs/dbraw/zinc/48/13/78/570481378.db2.gz RYAXTIKEXIPLPG-CQSZACIVSA-N 1 3 387.911 4.213 40 10 GICBHO COc1ccc2nc3cc(Cl)ccc3c(NCCC[NH2+]CC[C@H](C)O)c2c1 ZINC000004748025 570402109 /nfs/dbraw/zinc/40/21/09/570402109.db2.gz RYAXTIKEXIPLPG-AWEZNQCLSA-N 1 3 387.911 4.213 40 10 GICBHO