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)CCCn1c2ccccc2[nH+]c1C(C)C ZINC000040389857 213296437 /nfs/dbraw/zinc/29/64/37/213296437.db2.gz SWFCYABJQLNSMJ-UHFFFAOYSA-N 2 2 329.532 5.452 10 0 EKAELP CCCC[NH+](CCCC)CCCn1c2ccccc2[nH+]c1CCC ZINC000040389863 213296638 /nfs/dbraw/zinc/29/66/38/213296638.db2.gz KDCLGPXHCZEFGW-UHFFFAOYSA-N 2 2 329.532 5.281 10 0 EKAELP CCCC[NH+](CCCC)CCCn1c2ccccc2[nH+]c1C(C)(C)C ZINC000040389883 213296997 /nfs/dbraw/zinc/29/69/97/213296997.db2.gz LJFCJDCPWPBIQW-UHFFFAOYSA-N 2 2 343.559 5.626 10 0 EKAELP CCCC[NH+](CCCC)CCCn1c2ccc(Cl)cc2[nH+]c1CC ZINC000040406427 213300232 /nfs/dbraw/zinc/30/02/32/213300232.db2.gz BDPIKRFJPRHTHG-UHFFFAOYSA-N 2 2 349.950 5.544 10 0 EKAELP CCCC[NH+](CCCC)CCCn1c2cc(Cl)ccc2[nH+]c1CC ZINC000040406430 213300062 /nfs/dbraw/zinc/30/00/62/213300062.db2.gz QRSFFAPQTYVDFS-UHFFFAOYSA-N 2 2 349.950 5.544 10 0 EKAELP