smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCC[C@H]([NH3+])C[NH3+] ZINC000043938953 175126182 /nfs/dbraw/zinc/12/61/82/175126182.db2.gz PWJWNZBLKWYLPP-INIZCTEOSA-N 2 1 256.478 4.364 40 30 CIEBMP CCCCCCCCCCCc1[nH+]ccn1CCC(N)=[NH2+] ZINC000100166751 567912427 /nfs/dbraw/zinc/91/24/27/567912427.db2.gz QOHCCXMSBAKKOP-UHFFFAOYSA-N 2 1 292.471 4.282 40 30 CIEBMP CCCCCCCCCCCCCC[C@@H]([NH3+])C[NH3+] ZINC000043938955 175126149 /nfs/dbraw/zinc/12/61/49/175126149.db2.gz PWJWNZBLKWYLPP-MRXNPFEDSA-N 2 1 256.478 4.364 40 30 CIEBMP