smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N1Cc2ccccc2C[C@H]1CNC(N)=[NH2+] ZINC000013863365 207002257 /nfs/dbraw/zinc/00/22/57/207002257.db2.gz FQWUCVNQAHXSHM-PXNSSMCTSA-N 2 0 395.507 1.106 1 30 GDEFRP Cc1ccc2n(C)c(COc3ccc(C=NNC4=[NH+]CCCN4)cc3)c[n+]2c1 ZINC000026827935 207319493 /nfs/dbraw/zinc/31/94/93/207319493.db2.gz NAFQDYYBTXXVRV-WYMPLXKRSA-N 2 0 377.472 1.924 1 30 GDEFRP Cc1cccc2n(C)c(COc3ccc(C=NNC4=[NH+]CCCN4)cc3)c[n+]21 ZINC000026832383 207320260 /nfs/dbraw/zinc/32/02/60/207320260.db2.gz WIFGPKKZSBZSPR-ZMOGYAJESA-N 2 0 377.472 1.924 1 30 GDEFRP CC[C@@H](C)[C@@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C#N)CCCC[NH3+] ZINC000073138578 222267076 /nfs/dbraw/zinc/26/70/76/222267076.db2.gz SBJDKDLYIPZAQK-XGXHKWSGSA-N 2 0 387.528 1.225 1 30 GDEFRP