smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCCc1ccccc1F)[C@@H]1C[C@H]([NH2+]Cc2ccccc2[O-])CN1Cc1cccc(Cl)c1 ZINC000020910204 195245820 /nfs/dbraw/zinc/24/58/20/195245820.db2.gz FVQKMVMDDNWZDO-ZCYQVOJMSA-N 0 3 481.999 4.276 10 10 JICEHN CCN1C(=O)N(Cc2cccc(OC)c2)C(=O)C12CCN(C/C=C/c1ccc(N(C)C)cc1)CC2 ZINC000014743048 521526854 /nfs/dbraw/zinc/52/68/54/521526854.db2.gz QLJCEWXLWNOPQK-VQHVLOKHSA-N 0 3 476.621 4.093 10 10 JICEHN COCCCN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(Cc1ccc(N3CCCC3)cc1)CC2 ZINC000014745277 523289103 /nfs/dbraw/zinc/28/91/03/523289103.db2.gz IXEHTKCIWDOMEQ-UHFFFAOYSA-N 0 3 490.648 4.122 10 10 JICEHN