smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCNC(=O)c1ccc2c3c([nH]n2CC[NH+](C)C)c2ccccc2nc31 ZINC000027080669 207322957 /nfs/dbraw/zinc/32/29/57/207322957.db2.gz CVOYDUBJKPJOCB-UHFFFAOYSA-N 2 0 392.507 2.524 1 5 GFBFRP C[NH+](C)CCNc1cc2c(c3oc4ccccc4c(=O)c13)C[C@H]([NH3+])C(C)(C)O2 ZINC000028705801 210532768 /nfs/dbraw/zinc/53/27/68/210532768.db2.gz QAAHVLQZTQLDJE-SFHVURJKSA-N 2 0 381.476 2.961 1 5 GFBFRP O=c1[nH]c2ccc(C3=[NH+]CCN3)cc2c2c3ccc(C4=[NH+]CCN4)cc3sc21 ZINC000084687621 222319905 /nfs/dbraw/zinc/31/99/05/222319905.db2.gz DAVWTYKQPGOBRR-UHFFFAOYSA-N 2 0 387.468 2.596 1 5 GFBFRP