smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43C)[C@H]1CC[C@@]2(O)C(=O)COP(=O)([O-])[O-] ZINC000669679145 568937932 /nfs/dbraw/zinc/93/79/32/568937932.db2.gz BGSOJVFOEQLVMH-NDNUHCHRSA-N -2 0 442.445 1.899 10 30 IDEERL N#CC(N=Nc1ccc(S(=O)(=O)[O-])cc1[O-])=NNc1ccc(S(=O)(=O)[O-])cc1O ZINC000020436375 557016518 /nfs/dbraw/zinc/01/65/18/557016518.db2.gz LCDGQPJZWQNIQC-QJQDQWMRSA-N -3 0 441.403 1.624 10 30 IDEERL