smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCNC(=O)c1ccc(OC2CC[NH+](Cc3ccccc3O)CC2)c(Cl)c1 ZINC000012753292 521786030 /nfs/dbraw/zinc/78/60/30/521786030.db2.gz QNJQHYCIZQGMMP-UHFFFAOYSA-N 2 0 431.964 3.380 50 10 IGCARP COc1cccc(C[NH+]2CCC(c3nnc(SCC[NH+]4CCCCC4)n3C)CC2)c1O ZINC000014996110 556477957 /nfs/dbraw/zinc/47/79/57/556477957.db2.gz VQKDSKRVZCUUIS-UHFFFAOYSA-N 2 0 445.633 3.487 50 10 IGCARP