smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C=C(C#N)C(=O)N(C)c2nn[n-]n2)c(C)n1-c1cccc2ccccc21 ZINC001130969551 1425652203 /nfs/dbraw/zinc/65/22/03/1425652203.db2.gz OYRDYSPAEBRQIM-LDADJPATSA-N -1 0 397.442 3.330 10 50 GGGERM CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)c2cccc(Nc3nnn[n-]3)c2)C1 ZINC000912578781 1424582602 /nfs/dbraw/zinc/58/26/02/1424582602.db2.gz GLXOSMLBMUIVJK-HNNXBMFYSA-N -1 0 388.548 3.180 10 50 GGGERM Cc1cc(C=C(C#N)C(=O)NC2(c3nn[n-]n3)CCCC2)c(C)n1CCC(C)C ZINC000813456875 1446381347 /nfs/dbraw/zinc/38/13/47/1446381347.db2.gz LMFDEVWWNVFBSQ-PDGQHHTCSA-N -1 0 395.511 3.157 10 50 GGGERM Cc1cc(C=C(C#N)C(=O)NC2(c3nn[n-]n3)CCCC2)c(C)n1CCC(C)C ZINC000813456874 1449152829 /nfs/dbraw/zinc/15/28/29/1449152829.db2.gz LMFDEVWWNVFBSQ-LDADJPATSA-N -1 0 395.511 3.157 10 50 GGGERM