smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCc1cccc(C)[nH+]1 ZINC000001587748 342949446 /nfs/dbraw/zinc/94/94/46/342949446.db2.gz VRXHJFGBNKTNDF-UHFFFAOYSA-N 1 2 177.291 3.513 40 0 AHABLO CCCCc1c[nH+]cc(CCCC)c1 ZINC000001689944 342958730 /nfs/dbraw/zinc/95/87/30/342958730.db2.gz PJOMZRGTNZQMMB-UHFFFAOYSA-N 1 2 191.318 3.767 40 0 AHABLO CC[NH+](CC)c1ccc2ccccc2c1 ZINC000002173418 167175244 /nfs/dbraw/zinc/17/52/44/167175244.db2.gz FGFMOJODEQZXPR-UHFFFAOYSA-N 1 2 199.297 3.686 40 0 AHABLO CCC[NH+](CCC)c1cccc(C)c1 ZINC000002525136 342974374 /nfs/dbraw/zinc/97/43/74/342974374.db2.gz DUFIFXVQSKZLTB-UHFFFAOYSA-N 1 2 191.318 3.621 40 0 AHABLO