smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CCN([C@@H](CNC(=O)C(=O)NCCN(C)C)c3cccnc3)CC2)cc1 ZINC000016913651 556177538 /nfs/dbraw/zinc/17/75/38/556177538.db2.gz PDKPSLLHWREACM-QFIPXVFZSA-N 0 3 454.575 0.748 50 10 JCCAHN COc1ccc(N2CCN([C@H](CNC(=O)C(=O)NCCN(C)C)c3cccnc3)CC2)cc1 ZINC000016913654 556177505 /nfs/dbraw/zinc/17/75/05/556177505.db2.gz PDKPSLLHWREACM-JOCHJYFZSA-N 0 3 454.575 0.748 50 10 JCCAHN