smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CCl)Nc1ccc(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)nc1 ZINC001164677898 719528059 /nfs/dbraw/zinc/52/80/59/719528059.db2.gz IEUSCOOMTJCHJI-UHFFFAOYSA-N 1 2 432.927 3.269 20 50 IGGDLO O=C(CCl)Nc1ccc(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)nc1 ZINC001164677898 719528068 /nfs/dbraw/zinc/52/80/68/719528068.db2.gz IEUSCOOMTJCHJI-UHFFFAOYSA-N 1 2 432.927 3.269 20 50 IGGDLO O=C(CCl)Nc1cccnc1N1CCC2(CC1)COCC[N@H+]2Cc1ccc(F)cc1 ZINC001164672634 719522226 /nfs/dbraw/zinc/52/22/26/719522226.db2.gz LXFDDHXQKFVWCZ-UHFFFAOYSA-N 1 2 432.927 3.269 20 50 IGGDLO O=C(CCl)Nc1cccnc1N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(F)cc1 ZINC001164672634 719522231 /nfs/dbraw/zinc/52/22/31/719522231.db2.gz LXFDDHXQKFVWCZ-UHFFFAOYSA-N 1 2 432.927 3.269 20 50 IGGDLO