smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)C2=O)cc1 ZINC000006798377 132279110 /nfs/dbraw/zinc/27/91/10/132279110.db2.gz OYMCNKQDRIPCQD-MLPAPPSSSA-N -1 2 449.246 3.432 10 10 IGCELM CC1=NC(=NNc2cc([N+](=O)[O-])ccc2Cl)C(CO[P@@](=O)([O-])O)=C(C=O)C1=O ZINC000013816276 556314119 /nfs/dbraw/zinc/31/41/19/556314119.db2.gz KVBPUONUZZVJFQ-ISLYRVAYSA-N -1 2 430.697 3.494 10 10 in-vitro IGCELM CC1=NC(=NNc2cc([N+](=O)[O-])ccc2Cl)C(CO[P@](=O)([O-])O)=C(C=O)C1=O ZINC000013816276 556314124 /nfs/dbraw/zinc/31/41/24/556314124.db2.gz KVBPUONUZZVJFQ-ISLYRVAYSA-N -1 2 430.697 3.494 10 10 in-vitro IGCELM