smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](CNC(=O)C(=O)Nc1ccc(Br)nc1)CN1CC[NH+](C)CC1 ZINC000160394397 530330425 /nfs/dbraw/zinc/33/04/25/530330425.db2.gz VEWWTHMCDMWNRD-GFCCVEGCSA-N 1 1 398.305 0.782 20 70 GCIDMO C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)nc1)CN1CC[NH+](C)CC1 ZINC000160394250 530330347 /nfs/dbraw/zinc/33/03/47/530330347.db2.gz VEWWTHMCDMWNRD-LBPRGKRZSA-N 1 1 398.305 0.782 20 70 GCIDMO C[C@@H](CNC(=O)C(=O)Nc1ccc(Br)nc1)C[NH+]1CCOCC1 ZINC000161268389 530331882 /nfs/dbraw/zinc/33/18/82/530331882.db2.gz VDKUSFYCNKZURF-NSHDSACASA-N 1 1 385.262 0.867 20 70 GCIDMO C[C@H](CNC(=O)C(=O)Nc1ccc(Br)nc1)C[NH+]1CCOCC1 ZINC000161268518 530331776 /nfs/dbraw/zinc/33/17/76/530331776.db2.gz VDKUSFYCNKZURF-LLVKDONJSA-N 1 1 385.262 0.867 20 70 GCIDMO