smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(Cl)c1Nc1nc2ccc(N3CCC[N@H+](C)CC3)cc2n2c[nH+]cc12 ZINC000013860331 581091984 /nfs/dbraw/zinc/09/19/84/581091984.db2.gz HIEYQVDWMVWKRZ-UHFFFAOYSA-N 2 1 420.948 4.730 1 0 HJAFMP CC[NH+](CC)Cc1ccc(OCCCCCCCCN2CC[NH+](CC)CC2)cc1 ZINC000049036377 581095536 /nfs/dbraw/zinc/09/55/36/581095536.db2.gz SDCCOIUHZNWQIS-UHFFFAOYSA-N 2 1 403.655 4.885 1 0 HJAFMP Cc1cccc(Cl)c1Nc1nc2cc(N3C[C@@H](C)[NH2+][C@@H](C)C3)ccc2n2c[nH+]cc12 ZINC000013860340 132459623 /nfs/dbraw/zinc/45/96/23/132459623.db2.gz RRMQEBPBEMVAOL-IYBDPMFKSA-N 2 1 420.948 4.775 1 0 HJAFMP