smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1ccc2oc(C3=CCN(Cc4cccc(F)c4)CC3)nc2c1 ZINC000216785403 535833431 /nfs/dbraw/zinc/83/34/31/535833431.db2.gz CVVXBFQITBNXGV-UHFFFAOYSA-N 0 1 336.410 4.819 40 70 EJIBMN CCc1ccc2oc(C3=CCN(Cc4ccc(F)cc4)CC3)nc2c1 ZINC000216784930 535833048 /nfs/dbraw/zinc/83/30/48/535833048.db2.gz BVGCUGHZGCWQIH-UHFFFAOYSA-N 0 1 336.410 4.819 40 70 EJIBMN Cc1cc2nc(C3=CCN(Cc4cccc(F)c4)CC3)oc2cc1C ZINC000216785473 241211073 /nfs/dbraw/zinc/21/10/73/241211073.db2.gz FDVUWDVPVWUNLK-UHFFFAOYSA-N 0 1 336.410 4.873 40 70 EJIBMN Cc1cc2nc(C3=CCN(Cc4cccc(F)c4)CC3)oc2c(C)c1 ZINC000216785545 241210814 /nfs/dbraw/zinc/21/08/14/241210814.db2.gz SPSOVSFZRKFCJX-UHFFFAOYSA-N 0 1 336.410 4.873 40 70 EJIBMN Cc1cc2nc(C3=CCN(Cc4ccc(F)cc4)CC3)oc2cc1C ZINC000216784994 241210354 /nfs/dbraw/zinc/21/03/54/241210354.db2.gz ISIGCPRHSMHVNB-UHFFFAOYSA-N 0 1 336.410 4.873 40 70 EJIBMN Cc1cc2nc(C3=CCN(Cc4ccc(F)cc4)CC3)oc2c(C)c1 ZINC000216785067 241210242 /nfs/dbraw/zinc/21/02/42/241210242.db2.gz QUWDOGRCTOODAU-UHFFFAOYSA-N 0 1 336.410 4.873 40 70 EJIBMN