smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cscc1NC(=O)Nc1c(C)cccc1C(C)C ZINC000159722807 261192562 /nfs/dbraw/zinc/19/25/62/261192562.db2.gz NPFMRPDBULHEDL-UHFFFAOYSA-N 0 0 288.416 5.132 20 70 CKIDRN CC[C@H](Sc1nncc2ccccc21)c1ccc(F)cc1 ZINC000160226142 327603449 /nfs/dbraw/zinc/60/34/49/327603449.db2.gz BSSRQLUEHVNGTF-INIZCTEOSA-N 0 0 298.386 5.012 20 70 CKIDRN CS[C@H](C)CC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000160675278 261222696 /nfs/dbraw/zinc/22/26/96/261222696.db2.gz JVDIXABVRFXUEE-CYBMUJFWSA-N 0 0 293.476 5.014 20 70 CKIDRN CS[C@@H](C)CC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000160675409 261222370 /nfs/dbraw/zinc/22/23/70/261222370.db2.gz JVDIXABVRFXUEE-ZDUSSCGKSA-N 0 0 293.476 5.014 20 70 CKIDRN C[C@H]1C[C@H](Nc2ccc(F)c(F)c2)c2ccsc2S1 ZINC000216991989 333118594 /nfs/dbraw/zinc/11/85/94/333118594.db2.gz KLRWBBYLUNOHMQ-SDBXPKJASA-N 0 0 297.395 5.064 20 70 CKIDRN C[C@H]1C[C@@H](Nc2ccc(F)c(F)c2)c2ccsc2S1 ZINC000216992000 333118686 /nfs/dbraw/zinc/11/86/86/333118686.db2.gz KLRWBBYLUNOHMQ-ISVAXAHUSA-N 0 0 297.395 5.064 20 70 CKIDRN Cc1ccc(N[C@@H]2C[C@H](C)Sc3sccc32)cc1 ZINC000216999360 262049213 /nfs/dbraw/zinc/04/92/13/262049213.db2.gz GIXPHXFNZLLEOG-SMDDNHRTSA-N 0 0 275.442 5.094 20 70 CKIDRN Cc1ccc(N[C@H]2C[C@H](C)Sc3sccc32)cc1 ZINC000216999368 262049059 /nfs/dbraw/zinc/04/90/59/262049059.db2.gz GIXPHXFNZLLEOG-FZMZJTMJSA-N 0 0 275.442 5.094 20 70 CKIDRN CCCN(CCC)C(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000217269123 333120008 /nfs/dbraw/zinc/12/00/08/333120008.db2.gz DMKAGYNDZTYOJB-UHFFFAOYSA-N 0 0 296.414 5.008 20 70 CKIDRN