smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc2c(s1)Nc1ccccc1N=C2N1CC[N+](C)(CCl)CC1 ZINC000135801901 717150992 /nfs/dbraw/zinc/15/09/92/717150992.db2.gz IOQVWTDBEDHRRX-UHFFFAOYSA-N 1 0 361.922 2.458 10 50 FEGERO CCN(CC)c1ccc(/C=C(\C#N)C(=O)OCC[N+](C)(C)CCCO)cc1 ZINC000038646376 717126296 /nfs/dbraw/zinc/12/62/96/717126296.db2.gz DFUQHYDELAWVJS-KNTRCKAVSA-N 1 0 374.505 2.442 10 50 FEGERO CCN(CC)c1ccc(/C=C(\C#N)C(=O)OCCC[N+](C)(C)CCO)cc1 ZINC000038646373 717126003 /nfs/dbraw/zinc/12/60/03/717126003.db2.gz JROFYIAHIIPUQN-KNTRCKAVSA-N 1 0 374.505 2.442 10 50 FEGERO