smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1ncnc2c1c(C#CCNC(=O)C(F)(F)F)cn2[C@H]1C[C@H](O)[C@@H](CO)O1 ZINC000306120806 231044566 /nfs/dbraw/zinc/04/45/66/231044566.db2.gz SVVZRCQYSUXVDB-HBNTYKKESA-N 0 2 399.329 -0.316 10 30 GBEELN CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)NC[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC000329660924 1073375431 /nfs/dbraw/zinc/37/54/31/1073375431.db2.gz OSKLKSURVQIHGX-QZTJIDSGSA-N 0 2 383.537 -0.042 10 30 GBEELN CC(C)[N@@H+]1CCO[C@H](CN2CCN(C(=O)NC[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC000329660925 1073375117 /nfs/dbraw/zinc/37/51/17/1073375117.db2.gz OSKLKSURVQIHGX-ZWKOTPCHSA-N 0 2 383.537 -0.042 10 30 GBEELN