smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc[nH]c1CSCCNC[C@]1(O)CCC[NH2+]C1 ZINC000072433682 388963318 /nfs/dbraw/zinc/96/33/18/388963318.db2.gz KIOVYXVBRMNHGT-ZDUSSCGKSA-N 1 3 284.429 0.655 50 10 CCCAHO Cc1nc[nH]c1CSCC[NH2+]C[C@]1(O)CCCNC1 ZINC000072433682 388963321 /nfs/dbraw/zinc/96/33/21/388963321.db2.gz KIOVYXVBRMNHGT-ZDUSSCGKSA-N 1 3 284.429 0.655 50 10 CCCAHO Cc1nc[nH]c1CSCCNC[C@@]1(O)CCC[NH2+]C1 ZINC000072433683 388963854 /nfs/dbraw/zinc/96/38/54/388963854.db2.gz KIOVYXVBRMNHGT-CYBMUJFWSA-N 1 3 284.429 0.655 50 10 CCCAHO Cc1nc[nH]c1CSCC[NH2+]C[C@@]1(O)CCCNC1 ZINC000072433683 388963858 /nfs/dbraw/zinc/96/38/58/388963858.db2.gz KIOVYXVBRMNHGT-CYBMUJFWSA-N 1 3 284.429 0.655 50 10 CCCAHO