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]1CC(C)(C)[NH2+]CCCN[C@H](C)CC(C)(C)[NH2+]CCCN1 ZINC000068604541 402202400 /nfs/dbraw/zinc/20/24/00/402202400.db2.gz SHBUHHGAGPIXDR-HZPDHXFCSA-N 2 3 312.546 2.253 40 0 DEABHP C[C@@H]1CC(C)(C)NCCC[NH2+][C@H](C)CC(C)(C)NCCC[NH2+]1 ZINC000068604541 402202401 /nfs/dbraw/zinc/20/24/01/402202401.db2.gz SHBUHHGAGPIXDR-HZPDHXFCSA-N 2 3 312.546 2.253 40 0 DEABHP C[C@H]1CC(C)(C)[NH2+]CCCN[C@@H](C)CC(C)(C)[NH2+]CCCN1 ZINC000068604547 402202663 /nfs/dbraw/zinc/20/26/63/402202663.db2.gz SHBUHHGAGPIXDR-HOTGVXAUSA-N 2 3 312.546 2.253 40 0 DEABHP C[C@H]1CC(C)(C)NCCC[NH2+][C@@H](C)CC(C)(C)NCCC[NH2+]1 ZINC000068604547 402202667 /nfs/dbraw/zinc/20/26/67/402202667.db2.gz SHBUHHGAGPIXDR-HOTGVXAUSA-N 2 3 312.546 2.253 40 0 DEABHP C[C@@H]1CC(C)(C)[NH2+]CCCN[C@@H](C)CC(C)(C)[NH2+]CCCN1 ZINC000068604543 402202775 /nfs/dbraw/zinc/20/27/75/402202775.db2.gz SHBUHHGAGPIXDR-IYBDPMFKSA-N 2 3 312.546 2.253 40 0 DEABHP C[C@@H]1CC(C)(C)NCCC[NH2+][C@@H](C)CC(C)(C)NCCC[NH2+]1 ZINC000068604543 402202779 /nfs/dbraw/zinc/20/27/79/402202779.db2.gz SHBUHHGAGPIXDR-IYBDPMFKSA-N 2 3 312.546 2.253 40 0 DEABHP