smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1noc([N-]S(=O)(=O)c2ccc(NC(=S)NC=C3C(=O)NC(=O)NC3=O)cc2)c1C ZINC000001637231 194129954 /nfs/dbraw/zinc/12/99/54/194129954.db2.gz UHTVLODLKQMKQV-UHFFFAOYSA-N -1 2 464.485 0.629 40 10 JCCBLM O=C1NC(=O)C(=CNC(=S)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)C(=O)N1 ZINC000001637582 194130106 /nfs/dbraw/zinc/13/01/06/194130106.db2.gz XQISUPXVNRBXPU-UHFFFAOYSA-N -1 2 452.499 0.480 40 10 JCCBLM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1c(=O)[nH]c(=S)n(-c2ccccc2)c1O ZINC000103844931 569838307 /nfs/dbraw/zinc/83/83/07/569838307.db2.gz BUIUQIGIXIYGGG-KADHNRKRSA-N -1 2 478.442 0.989 40 10 JCCBLM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1c(=O)[nH]c(=S)n(-c2ccccc2)c1O ZINC000103844939 569838294 /nfs/dbraw/zinc/83/82/94/569838294.db2.gz BUIUQIGIXIYGGG-SSUFTNFISA-N -1 2 478.442 0.989 40 10 JCCBLM