smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2c(c1)[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)CC(C)(C)O2 ZINC000218402546 570333876 /nfs/dbraw/zinc/33/38/76/570333876.db2.gz YXHSOPMWMHFBQW-QGZVFWFLSA-N -1 3 388.489 3.399 40 70 GGIBHM Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)CC(C)(C)O2 ZINC000218402466 570333594 /nfs/dbraw/zinc/33/35/94/570333594.db2.gz YXHSOPMWMHFBQW-KRWDZBQOSA-N -1 3 388.489 3.399 40 70 GGIBHM CCCOc1ccccc1CCCNC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000218401800 570333781 /nfs/dbraw/zinc/33/37/81/570333781.db2.gz VCVSMPOMAFQJCD-UHFFFAOYSA-N -1 3 390.505 3.210 40 70 GGIBHM Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000218402739 222587920 /nfs/dbraw/zinc/58/79/20/222587920.db2.gz UVGOPBJBBNIWIC-QGZVFWFLSA-N -1 3 388.489 3.399 40 70 GGIBHM Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000218402649 570333803 /nfs/dbraw/zinc/33/38/03/570333803.db2.gz UVGOPBJBBNIWIC-KRWDZBQOSA-N -1 3 388.489 3.399 40 70 GGIBHM