smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc([C@@H](C)N[C@@H](C)c2ccco2)c1C ZINC000160165647 179183431 /nfs/dbraw/zinc/18/34/31/179183431.db2.gz YUWLRLVRAVRQMY-KGLIPLIRSA-N 0 1 243.350 4.308 20 70 BIIDMN Cc1cccc([C@H](C)N[C@@H](C)c2ccco2)c1C ZINC000160165763 179196395 /nfs/dbraw/zinc/19/63/95/179196395.db2.gz YUWLRLVRAVRQMY-KBPBESRZSA-N 0 1 243.350 4.308 20 70 BIIDMN Cc1cccc([C@@H](C)N[C@H](C)c2ccco2)c1C ZINC000160165887 179182533 /nfs/dbraw/zinc/18/25/33/179182533.db2.gz YUWLRLVRAVRQMY-ZIAGYGMSSA-N 0 1 243.350 4.308 20 70 BIIDMN Cc1cccc([C@H](C)N[C@H](C)c2ccco2)c1C ZINC000160166005 179197832 /nfs/dbraw/zinc/19/78/32/179197832.db2.gz YUWLRLVRAVRQMY-UONOGXRCSA-N 0 1 243.350 4.308 20 70 BIIDMN CCc1ccc([C@@H](C)NCc2ccc(C)s2)o1 ZINC000160945638 384450273 /nfs/dbraw/zinc/45/02/73/384450273.db2.gz WUAKVDGXJHYPME-LLVKDONJSA-N 0 1 249.379 4.063 20 70 BIIDMN CCc1ccc([C@H](C)NCc2ccc(C)s2)o1 ZINC000160945771 384448318 /nfs/dbraw/zinc/44/83/18/384448318.db2.gz WUAKVDGXJHYPME-NSHDSACASA-N 0 1 249.379 4.063 20 70 BIIDMN