smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(S(=O)(=O)N2CCOC[C@H]2C(=O)N[O-])cc1 ZINC000013801722 380501498 /nfs/dbraw/zinc/50/14/98/380501498.db2.gz SSVAOOCBANMUMS-NSHDSACASA-N -1 3 316.335 -0.410 10 30 DBEEHM CCc1nc2n(n1)C[C@H](NC(=O)c1cn(C)c(=O)[n-]c1=O)CC2 ZINC000329322386 378475570 /nfs/dbraw/zinc/47/55/70/378475570.db2.gz URSVTEHGJAKWGZ-MRVPVSSYSA-N -1 3 318.337 -0.041 10 30 DBEEHM CCc1nc2n(n1)C[C@@H](NC(=O)c1cn(C)c(=O)[n-]c1=O)CC2 ZINC000329322387 378474950 /nfs/dbraw/zinc/47/49/50/378474950.db2.gz URSVTEHGJAKWGZ-QMMMGPOBSA-N -1 3 318.337 -0.041 10 30 DBEEHM COc1ccc(S(=O)(=O)N2CCOC[C@@H]2C(=O)N[O-])cc1 ZINC000013801719 380501672 /nfs/dbraw/zinc/50/16/72/380501672.db2.gz SSVAOOCBANMUMS-LLVKDONJSA-N -1 3 316.335 -0.410 10 30 DBEEHM