smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[NH+](CCCC)CCCn1c(CNC)nc2ccc(Cl)cc21 ZINC000040406652 205069488 /nfs/dbraw/zinc/06/94/88/205069488.db2.gz KUYIUEKTRBKUCT-UHFFFAOYSA-N 1 3 364.965 4.701 10 0 FJAEHO CC[NH+](CC)CCNc1cc(N2CCCCC2)nc2ccc(Cl)cc21 ZINC000253495224 535543175 /nfs/dbraw/zinc/54/31/75/535543175.db2.gz MNADHTBHTHBFOZ-UHFFFAOYSA-N 1 3 360.933 4.632 10 0 FJAEHO CCCC[NH+](CCCC)CCCn1c(CNC)nc2cc(Cl)ccc21 ZINC000040406649 208252471 /nfs/dbraw/zinc/25/24/71/208252471.db2.gz HUGAGTUUXKRGBO-UHFFFAOYSA-N 1 3 364.965 4.701 10 0 FJAEHO