smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc2[nH+]c(Cc3ccc(F)cc3)n([C@@H](C)C(=O)NCC[NH+]3CCCC3)c2cc1C ZINC000037397548 569296710 /nfs/dbraw/zinc/29/67/10/569296710.db2.gz PPLJFTSHZPMJET-IBGZPJMESA-N 2 2 422.548 4.156 10 0 HIAELP Cc1cc2[nH+]c(Cc3ccc(F)cc3)n([C@H](C)C(=O)NCC[NH+]3CCCC3)c2cc1C ZINC000037397549 569296687 /nfs/dbraw/zinc/29/66/87/569296687.db2.gz PPLJFTSHZPMJET-LJQANCHMSA-N 2 2 422.548 4.156 10 0 HIAELP C/C=C(\C)C[N@@H+]1CCOc2ccc(C[NH+]3CCN(c4ccc(F)cc4)CC3)cc2C1 ZINC000011786713 533431086 /nfs/dbraw/zinc/43/10/86/533431086.db2.gz VLBGLGPTPTZBRG-BIMFAAKUSA-N 2 2 409.549 4.309 10 0 HIAELP C/C=C(\C)C[N@H+]1CCOc2ccc(C[NH+]3CCN(c4ccc(F)cc4)CC3)cc2C1 ZINC000011786713 533431091 /nfs/dbraw/zinc/43/10/91/533431091.db2.gz VLBGLGPTPTZBRG-BIMFAAKUSA-N 2 2 409.549 4.309 10 0 HIAELP