smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N(C)C(=S)Nc2ccc3cc4ccccc4[nH+]c3c2)cc1 ZINC000006714406 571297248 /nfs/dbraw/zinc/29/72/48/571297248.db2.gz RNNUOCBLUHVBPM-UHFFFAOYSA-N 1 2 373.481 5.230 40 5 FKBBLO CC(C)(C)CC(C)(C)NC(=S)Nc1ccc2cc3ccccc3[nH+]c2c1 ZINC000033741415 571305922 /nfs/dbraw/zinc/30/59/22/571305922.db2.gz PHSWWEIUZYJBPH-UHFFFAOYSA-N 1 2 365.546 5.889 40 5 FKBBLO CC(C)(C)Nc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(-c2ccccc2)[nH+]1 ZINC000329062763 571326647 /nfs/dbraw/zinc/32/66/47/571326647.db2.gz WYNOYMIKYDIRLC-UHFFFAOYSA-N 1 2 363.421 5.006 40 5 FKBBLO COc1ccc(NC(=S)Nc2ccc3cc4ccccc4[nH+]c3c2)cc1 ZINC000409188126 570736453 /nfs/dbraw/zinc/73/64/53/570736453.db2.gz AXGULGMQDIKBCI-UHFFFAOYSA-N 1 2 359.454 5.206 40 5 FKBBLO Cc1ccc(NC(=S)Nc2ccc3cc4ccccc4[nH+]c3c2)cc1C ZINC000409189911 571216983 /nfs/dbraw/zinc/21/69/83/571216983.db2.gz NLLVYOKAZOWMGY-UHFFFAOYSA-N 1 2 357.482 5.814 40 5 FKBBLO S=C(NCCC1=CCCCC1)Nc1ccc2cc3ccccc3[nH+]c2c1 ZINC000409190615 571217064 /nfs/dbraw/zinc/21/70/64/571217064.db2.gz SXWGTPJTEPCLQJ-UHFFFAOYSA-N 1 2 361.514 5.565 40 5 FKBBLO COc1cccc(NC(=S)Nc2ccc3cc4ccccc4[nH+]c3c2)c1 ZINC000409190762 263538737 /nfs/dbraw/zinc/53/87/37/263538737.db2.gz WAKFHZYESCSELP-UHFFFAOYSA-N 1 2 359.454 5.206 40 5 FKBBLO CN(C)c1ccc(NC(=S)Nc2ccc3cc4ccccc4[nH+]c3c2)cc1 ZINC000409190842 571216916 /nfs/dbraw/zinc/21/69/16/571216916.db2.gz WTQMYKPGIXPPDW-UHFFFAOYSA-N 1 2 372.497 5.263 40 5 FKBBLO