smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nnsc1C(=O)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1 ZINC000217591070 568895591 /nfs/dbraw/zinc/89/55/91/568895591.db2.gz ILZRRCAYCJGXBB-UHFFFAOYSA-N 0 3 404.511 3.134 50 70 HGIAHN O=C(NCc1cccs1)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1 ZINC000217443716 568880419 /nfs/dbraw/zinc/88/04/19/568880419.db2.gz LGPRPUMPRPQEKW-UHFFFAOYSA-N 0 3 400.548 3.361 50 70 HGIAHN COc1ccc(CNC(=O)N2CCC(N3CCC(Oc4ccncc4)CC3)CC2)cc1 ZINC000217443073 568880440 /nfs/dbraw/zinc/88/04/40/568880440.db2.gz IQRKLHMBSDAYFE-UHFFFAOYSA-N 0 3 424.545 3.308 50 70 HGIAHN