smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@H+]1CCC[C@H]1CNC(=O)CN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@@H]21 ZINC000218084868 569882729 /nfs/dbraw/zinc/88/27/29/569882729.db2.gz BVKXZOKRJLPNKP-UPCLLVRISA-N 1 1 478.549 2.419 50 70 biogenic JEIAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@@H]21 ZINC000218084778 569882691 /nfs/dbraw/zinc/88/26/91/569882691.db2.gz BVKXZOKRJLPNKP-VOIUYBSRSA-N 1 1 478.549 2.419 50 70 biogenic JEIAMO COc1ccc(CN2C(=O)N[C@@H](CCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2=O)cc1OC ZINC000217698782 569881101 /nfs/dbraw/zinc/88/11/01/569881101.db2.gz OZFVKUCEEDTWGL-SLFFLAALSA-N 1 1 472.586 2.285 50 70 biogenic JEIAMO O=C(C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000217840840 569881854 /nfs/dbraw/zinc/88/18/54/569881854.db2.gz PZDJQUNSZMDEKQ-YUXAGFNASA-N 1 1 451.571 2.402 50 70 biogenic JEIAMO COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2=O)cc1OC ZINC000217732972 569881237 /nfs/dbraw/zinc/88/12/37/569881237.db2.gz SZJRKITVRBMKNW-PCCBWWKXSA-N 1 1 486.613 2.328 50 70 biogenic JEIAMO