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]1O[C@H](c2ccccc2)[C@@H](C)[N@@H+]1C 85541313 560071545 /nfs/dbraw/zinc/07/15/45/560071545.db2.gz HHPJDYZRNRHFBT-SCVCMEIPSA-N 1 2 191.274 2.424 1 0 biogenic,in-vitro AEAFLO C[C@@H]1O[C@H](c2ccccc2)[C@@H](C)[N@H+]1C 85541313 560071547 /nfs/dbraw/zinc/07/15/47/560071547.db2.gz HHPJDYZRNRHFBT-SCVCMEIPSA-N 1 2 191.274 2.424 1 0 biogenic,in-vitro AEAFLO Nc1[nH+]c2ccccc2c2c1CC=CC2 169350063 169308254 /nfs/dbraw/zinc/30/82/54/169308254.db2.gz XMJGAPFTIIYCHB-UHFFFAOYSA-N 1 2 196.253 2.472 1 0 AEAFLO c1cnc2ccc(-n3cc[nH+]c3)cc2c1 72138634 171109153 /nfs/dbraw/zinc/10/91/53/171109153.db2.gz OEYWGIGFOSFDFH-UHFFFAOYSA-N 1 2 195.225 2.421 3 0 AEAFLO