smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)C[C@@H](N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(N)=O ZINC000215001499 685149280 /nfs/dbraw/zinc/14/92/80/685149280.db2.gz VROBSHYMNDGCOG-ZJUUUORDSA-N 1 3 343.432 -2.500 10 30 EAEEHO CC(C)C[C@H](N)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)NCC(N)=O ZINC000215001545 685149058 /nfs/dbraw/zinc/14/90/58/685149058.db2.gz VROBSHYMNDGCOG-VHSXEESVSA-N 1 3 343.432 -2.500 10 30 EAEEHO CC(C)C[C@@H](N)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)NCC(N)=O ZINC000215001598 685149045 /nfs/dbraw/zinc/14/90/45/685149045.db2.gz VROBSHYMNDGCOG-NXEZZACHSA-N 1 3 343.432 -2.500 10 30 EAEEHO