smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(NC(=O)CCl)cn1)CC2 ZINC001164660894 719355121 /nfs/dbraw/zinc/35/51/21/719355121.db2.gz ZLRNOKVUJXXZBB-UHFFFAOYSA-N 1 2 465.001 3.954 20 50 JHGDLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(NC(=O)CCl)cn1)CC2 ZINC001164660894 719355123 /nfs/dbraw/zinc/35/51/23/719355123.db2.gz ZLRNOKVUJXXZBB-UHFFFAOYSA-N 1 2 465.001 3.954 20 50 JHGDLO CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncccc1NC(=O)CCl)CC2 ZINC001164659508 719353340 /nfs/dbraw/zinc/35/33/40/719353340.db2.gz PRBYWQXXNFPXHB-UHFFFAOYSA-N 1 2 465.001 3.954 20 50 JHGDLO CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncccc1NC(=O)CCl)CC2 ZINC001164659508 719353343 /nfs/dbraw/zinc/35/33/43/719353343.db2.gz PRBYWQXXNFPXHB-UHFFFAOYSA-N 1 2 465.001 3.954 20 50 JHGDLO