smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[N-]C(=O)/C(=C\c2ccc(-c3cccc4ccccc43)o2)C(=O)N1 ZINC000003066879 1095209702 /nfs/dbraw/zinc/20/97/02/1095209702.db2.gz HGJLCPXZLIXVHG-UHFFFAOYSA-N -1 2 332.315 2.849 40 10 EFCBLM O=C1[N-]C(=O)/C(=C/c2ccc(-c3cccc4ccccc43)o2)C(=O)N1 ZINC000003066879 1095209713 /nfs/dbraw/zinc/20/97/13/1095209713.db2.gz HGJLCPXZLIXVHG-UHFFFAOYSA-N -1 2 332.315 2.849 40 10 EFCBLM CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(C(=O)[O-])c(O)c1 ZINC000016160742 471927557 /nfs/dbraw/zinc/92/75/57/471927557.db2.gz LZELVILJPFMCAW-GDNBJRDFSA-N -1 2 337.335 2.809 40 10 EFCBLM O=C([O-])c1ccc(N2C(=O)NC(=O)C(=Cc3cccs3)C2=O)cc1 ZINC000027530838 472179226 /nfs/dbraw/zinc/17/92/26/472179226.db2.gz DWEZABWXYPJTIW-XYOKQWHBSA-N -1 2 342.332 2.953 40 10 EFCBLM