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](Cc1ccccc1)[NH2+]CCc1c2ccccc2[nH+]c2ccccc21 ZINC000004172322 210138480 /nfs/dbraw/zinc/13/84/80/210138480.db2.gz SZSWKYIWACGNDZ-GOSISDBHSA-N 2 2 340.470 5.151 10 5 in-man EKBELP CC[n+]1ccc(C=C2C=C[NH+](CC)C=C2)c2ccc3ccccc3c21 ZINC000020191055 212109138 /nfs/dbraw/zinc/10/91/38/212109138.db2.gz MDLDMJHZBRTUQR-UHFFFAOYSA-N 2 2 327.451 5.047 10 5 EKBELP