smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Clc1ccc(CC[N@@H+](Cc2ccncc2)C[C@H]2[C@@H]3C[NH2+]C[C@H]23)cc1 ZINC000217008079 241231116 /nfs/dbraw/zinc/23/11/16/241231116.db2.gz BBQXBVIJZCMQSA-PMOLBWCYSA-N 2 0 341.886 3.245 50 70 EGIARP COc1cc(C[N@H+]2C[C@@H]3[C@@H](C[NH+](C)C)[C@@H]3C2)ccc1OCC=C(C)C ZINC000217030357 241234339 /nfs/dbraw/zinc/23/43/39/241234339.db2.gz BWFYQKYYGZFZMR-LDLYASANSA-N 2 0 344.499 3.280 50 70 EGIARP C[C@H](c1ccc(C[NH+]2CCC(c3nccn3C)CC2)cc1)[NH+](C)C ZINC000217648167 241265880 /nfs/dbraw/zinc/26/58/80/241265880.db2.gz BIHQASZEIBYJOT-MRXNPFEDSA-N 2 0 326.488 3.422 50 70 EGIARP CC[NH+](CC)Cc1cc(C(=O)NCC2([NH+](C)C)CCCCC2)c(C)o1 ZINC000218587009 535599032 /nfs/dbraw/zinc/59/90/32/535599032.db2.gz KFRSBYSXOVEAQZ-UHFFFAOYSA-N 2 0 349.519 3.424 50 70 EGIARP C[C@@H](c1ccc(C[NH+]2CCC(c3nccn3C)CC2)cc1)[NH+](C)C ZINC000217648081 241264603 /nfs/dbraw/zinc/26/46/03/241264603.db2.gz BIHQASZEIBYJOT-INIZCTEOSA-N 2 0 326.488 3.422 50 70 EGIARP