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(C[C@H](NC(=O)c1ccc(CCc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)[O-])C(=O)[O-] ZINC000001542008 194127506 /nfs/dbraw/zinc/12/75/06/194127506.db2.gz QCLDSHDOWCMFBV-AWEZNQCLSA-N -2 0 451.443 0.583 10 30 JCEERL C#CCN(Cc1cnc2nc(N)[nH]c(=O)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1 ZINC000013448356 562964482 /nfs/dbraw/zinc/96/44/82/562964482.db2.gz SQJGTVKPWANJGI-HNNXBMFYSA-N -2 0 479.453 0.395 10 30 JCEERL C=C(C[C@@H](NC(=O)c1ccc(CCc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)[O-])C(=O)[O-] ZINC000013860914 563002283 /nfs/dbraw/zinc/00/22/83/563002283.db2.gz QCLDSHDOWCMFBV-CQSZACIVSA-N -2 0 451.443 0.583 10 30 JCEERL