smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CC[NH+](C[C@H](O)CN3CCN(CC[NH+](C)C)C(=O)C3)CC2)cc1 ZINC001171713366 1071166692 /nfs/dbraw/zinc/16/66/92/1071166692.db2.gz JGQOLJMJLUNCGN-FQEVSTJZSA-N 2 0 419.570 -0.116 20 10 HBCDRP COc1ccc(N2CC[NH+](C[C@@H](O)CN3CCN(CC[NH+](C)C)C(=O)C3)CC2)cc1 ZINC001171713367 1071167048 /nfs/dbraw/zinc/16/70/48/1071167048.db2.gz JGQOLJMJLUNCGN-HXUWFJFHSA-N 2 0 419.570 -0.116 20 10 HBCDRP