smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1cn(-c2c3ccccc3nc3ccccc32)c2ccccc12 ZINC000004893051 230369287 /nfs/dbraw/zinc/36/92/87/230369287.db2.gz AUYIMVRGDSFNAD-UHFFFAOYSA-N 0 3 294.357 5.332 40 10 CKCBHN Cc1ccc(Nc2c3ccccc3nc3ccccc32)cc1C ZINC000005011893 170055131 /nfs/dbraw/zinc/05/51/31/170055131.db2.gz AWGVFXBQMOUMOR-UHFFFAOYSA-N 0 3 298.389 5.748 40 10 CKCBHN Cc1ccc(C)c(Nc2c3ccccc3nc3ccccc32)c1 ZINC000005394301 170094539 /nfs/dbraw/zinc/09/45/39/170094539.db2.gz CLHUKMDESYSMGH-UHFFFAOYSA-N 0 3 298.389 5.748 40 10 CKCBHN Cc1cccc(C)c1Nc1c2ccccc2nc2ccccc21 ZINC000005394573 170094261 /nfs/dbraw/zinc/09/42/61/170094261.db2.gz FRHBUIKVKYWTEN-UHFFFAOYSA-N 0 3 298.389 5.748 40 10 CKCBHN