smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)(F)c1ccnc(N2CC[C@@]3(CN(CC4CC4)C[C@@H]3COCc3cccnc3)C2)c1 ZINC001164753298 720937389 /nfs/dbraw/zinc/93/73/89/720937389.db2.gz RKTKLWKYZKXLCT-NFBKMPQASA-N 0 3 460.575 2.890 20 70 JFIDHN O=S(=O)(F)c1ccnc(N2CC[C@]3(CN(CC4CC4)C[C@@H]3COCc3cccnc3)C2)c1 ZINC001164753304 720939165 /nfs/dbraw/zinc/93/91/65/720939165.db2.gz RKTKLWKYZKXLCT-OFNKIYASSA-N 0 3 460.575 2.890 20 70 JFIDHN O=S(=O)(F)c1ccnc(N2CC[C@@]3(CN(CC4CC4)C[C@H]3COCc3cccnc3)C2)c1 ZINC001164753301 720937663 /nfs/dbraw/zinc/93/76/63/720937663.db2.gz RKTKLWKYZKXLCT-NZQKXSOJSA-N 0 3 460.575 2.890 20 70 JFIDHN O=S(=O)(F)c1ccnc(N2CC[C@]3(CN(CC4CC4)C[C@H]3COCc3cccnc3)C2)c1 ZINC001164753619 720937890 /nfs/dbraw/zinc/93/78/90/720937890.db2.gz RKTKLWKYZKXLCT-REWPJTCUSA-N 0 3 460.575 2.890 20 70 JFIDHN