smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCC1=C[C@@H]2Cc3nc4cc(Cl)ccc4c(N)c3[C@H](C1)C2 ZINC000066076440 184386863 /nfs/dbraw/zinc/38/68/63/184386863.db2.gz KTAWJILWMNLKGS-QWHCGFSZSA-N 0 3 310.828 5.023 1 30 DKEFHN C=CCC1=C[C@H]2Cc3nc4cc(Cl)ccc4c(N)c3[C@@H](C1)C2 ZINC000066076442 184387267 /nfs/dbraw/zinc/38/72/67/184387267.db2.gz KTAWJILWMNLKGS-OLZOCXBDSA-N 0 3 310.828 5.023 1 30 DKEFHN CCCCCCCCCCCn1c(N)ncc1-c1ccccc1 ZINC000066104067 184389945 /nfs/dbraw/zinc/38/99/45/184389945.db2.gz OESLQCKUBABDLS-UHFFFAOYSA-N 0 3 313.489 5.663 1 30 DKEFHN CCCCCCCCn1c(N)ncc1-c1ccc(Cl)cc1 ZINC000066112472 184390694 /nfs/dbraw/zinc/39/06/94/184390694.db2.gz XMSUHDOMYAFDJM-UHFFFAOYSA-N 0 3 305.853 5.146 1 30 DKEFHN