smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)NC(=N)NC(=[NH2+])N1c1cccc(CCCCc2cccc(S(=O)(=O)F)c2)c1 ZINC000043300669 563119890 /nfs/dbraw/zinc/11/98/90/563119890.db2.gz PJPGRWDAXRQCIQ-UHFFFAOYSA-N 1 3 431.537 3.096 1 70 IGIFHO CC1(C)NC(=N)NC(=[NH2+])N1c1ccc(CCCCc2ccc(S(=O)(=O)F)cc2)cc1 ZINC000043815915 563121403 /nfs/dbraw/zinc/12/14/03/563121403.db2.gz XMPMFKKAHKTXFM-UHFFFAOYSA-N 1 3 431.537 3.096 1 70 IGIFHO CC1(C)NC(=N)NC(=[NH2+])N1c1cccc(CCCCc2ccc(S(=O)(=O)F)cc2)c1 ZINC000043307571 563120009 /nfs/dbraw/zinc/12/00/09/563120009.db2.gz UHUCUIUNKNVIKF-UHFFFAOYSA-N 1 3 431.537 3.096 1 70 IGIFHO