smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc(/C=C/C2=[N+](C)c3ccc(Cl)cc3C2(C)C)cc1 ZINC000034574400 201388990 /nfs/dbraw/zinc/38/89/90/201388990.db2.gz PJCVURGYZYNEEF-UHFFFAOYSA-N 1 2 339.890 5.125 10 10 EKCELO C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1O)c1ccc(Cl)s1 ZINC000036992327 213128713 /nfs/dbraw/zinc/12/87/13/213128713.db2.gz BDHZTDREPPROTQ-ZETCQYMHSA-N 1 2 336.671 5.265 10 10 EKCELO C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1O)c1ccc(Cl)s1 ZINC000036992328 213128077 /nfs/dbraw/zinc/12/80/77/213128077.db2.gz BDHZTDREPPROTQ-SSDOTTSWSA-N 1 2 336.671 5.265 10 10 EKCELO