smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCC[NH2+]CCCCN(CCC[NH3+])N(O)N=O ZINC000042919865 174916574 /nfs/dbraw/zinc/91/65/74/174916574.db2.gz STVYBUMQUAJDER-JQIJEIRASA-N 3 0 262.358 -0.378 1 10 CBCFRP Cc1cc(C[NH2+]CCO)c(O)c(C[NH2+]CCO)c1 ZINC000040504201 174300827 /nfs/dbraw/zinc/30/08/27/174300827.db2.gz JUOFWYNHVFNJQN-UHFFFAOYSA-N 2 0 254.330 -0.136 1 10 CBCFRP