smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O[C@@]1(C[NH2+]Cc2ccc3c(c2)CCCO3)CC[NH2+]C1 ZINC000077437725 256879686 /nfs/dbraw/zinc/87/96/86/256879686.db2.gz CLRCQCJJXJFKHN-HNNXBMFYSA-N 2 1 262.353 0.826 50 10 CCCAMP O[C@]1(C[NH2+]Cc2ccc3c(c2)CCCO3)CC[NH2+]C1 ZINC000077437727 544466795 /nfs/dbraw/zinc/46/67/95/544466795.db2.gz CLRCQCJJXJFKHN-OAHLLOKOSA-N 2 1 262.353 0.826 50 10 CCCAMP O[C@]1(C[NH2+]Cc2ccc3c(c2)CCCO3)C[NH2+]CCOC1 ZINC000077358411 177256845 /nfs/dbraw/zinc/25/68/45/177256845.db2.gz KYPKPYSEJOJHOA-INIZCTEOSA-N 2 1 292.379 0.452 50 10 CCCAMP O[C@@]1(C[NH2+]Cc2ccc3c(c2)CCCO3)C[NH2+]CCOC1 ZINC000077358407 177256965 /nfs/dbraw/zinc/25/69/65/177256965.db2.gz KYPKPYSEJOJHOA-MRXNPFEDSA-N 2 1 292.379 0.452 50 10 CCCAMP