smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+][C@@H]1NCN(C(=O)CN2C(=O)CSC2=S)[C@H]2NCN[C@@H]21 ZINC001144853235 781387757 /nfs/dbraw/zinc/38/77/57/781387757.db2.gz SILJRSVNWJROTC-IWSPIJDZSA-N 1 1 316.412 -2.634 20 10 DACDMO [NH3+][C@@H]1NCN(C(=O)CN2C(=O)CSC2=S)[C@@H]2NCN[C@H]21 ZINC001144853236 781386676 /nfs/dbraw/zinc/38/66/76/781386676.db2.gz SILJRSVNWJROTC-YIZRAAEISA-N 1 1 316.412 -2.634 20 10 DACDMO [NH3+][C@@H]1NCN(C(=O)CN2C(=O)CSC2=S)[C@H]2NCN[C@H]21 ZINC001144853233 781387408 /nfs/dbraw/zinc/38/74/08/781387408.db2.gz SILJRSVNWJROTC-DJLDLDEBSA-N 1 1 316.412 -2.634 20 10 DACDMO [NH3+][C@@H]1NCN(C(=O)CN2C(=O)CSC2=S)[C@@H]2NCN[C@@H]21 ZINC001144853234 781387465 /nfs/dbraw/zinc/38/74/65/781387465.db2.gz SILJRSVNWJROTC-HLTSFMKQSA-N 1 1 316.412 -2.634 20 10 DACDMO