smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1CC[C@](c2ccccc2)(C2CCN(Cc3ccc(I)cc3)CC2)C(=O)N1 ZINC000026006223 556239912 /nfs/dbraw/zinc/23/99/12/556239912.db2.gz WJLRTFJPHDSXAF-QHCPKHFHSA-N 0 0 488.369 3.878 30 0 JHACRN COC(=O)c1cccc(NC(=O)N[C@@H]2CCN(c3ccnc(Nc4ccc(F)cc4)n3)C2)c1 ZINC000045321943 563188330 /nfs/dbraw/zinc/18/83/30/563188330.db2.gz LLVPDBRSUHNJQQ-LJQANCHMSA-N 0 0 450.474 3.546 30 0 JHACRN COC(=O)c1cccc(NC(=O)N[C@H]2CCN(c3ccnc(Nc4ccc(F)cc4)n3)C2)c1 ZINC000045321946 563188368 /nfs/dbraw/zinc/18/83/68/563188368.db2.gz LLVPDBRSUHNJQQ-IBGZPJMESA-N 0 0 450.474 3.546 30 0 JHACRN O=C1CC[C@@](c2ccccc2)(C2CCN(Cc3ccc(I)cc3)CC2)C(=O)N1 ZINC000026006228 556239950 /nfs/dbraw/zinc/23/99/50/556239950.db2.gz WJLRTFJPHDSXAF-HSZRJFAPSA-N 0 0 488.369 3.878 30 0 JHACRN