smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CN(c2ccc(CNC(=O)NCc3nnc(CS(C)(=O)=O)[nH]3)cc2F)C[C@@H](C)O1 ZINC001477513842 1069828817 /nfs/dbraw/zinc/82/88/17/1069828817.db2.gz VYSIUJZYWJMBFV-CHWSQXEVSA-N 0 2 454.528 1.101 20 10 JDCDLN C[C@@H]1CN(c2ccc(CNC(=O)NCc3nnc(CS(C)(=O)=O)[nH]3)cc2F)C[C@H](C)O1 ZINC001477513835 1069828832 /nfs/dbraw/zinc/82/88/32/1069828832.db2.gz VYSIUJZYWJMBFV-BETUJISGSA-N 0 2 454.528 1.101 20 10 JDCDLN C[C@H]1CN(c2ccc(CNC(=O)NCc3nnc(CS(C)(=O)=O)[nH]3)cc2F)C[C@H](C)O1 ZINC001477513844 1069828913 /nfs/dbraw/zinc/82/89/13/1069828913.db2.gz VYSIUJZYWJMBFV-STQMWFEESA-N 0 2 454.528 1.101 20 10 JDCDLN