smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1ccc([C@H](C)CCc2ccc([N+](C)(C)C)cc2)cc1 ZINC000001481751 169709466 /nfs/dbraw/zinc/70/94/66/169709466.db2.gz HGMSJMJPXGGEBP-QGZVFWFLSA-N 1 0 296.478 5.182 1 5 in-man CKBFRO C[N+]1(CC[C@@H](c2ccccc2)C2=CCCCC2)CCCCC1 ZINC000001481843 717087826 /nfs/dbraw/zinc/08/78/26/717087826.db2.gz BYATXHJLKDIAQU-NRFANRHFSA-N 1 0 298.494 5.291 1 5 in-man CKBFRO C[N+]1(CC[C@H](c2ccccc2)C2=CCCCC2)CCCCC1 ZINC000001842888 717089866 /nfs/dbraw/zinc/08/98/66/717089866.db2.gz BYATXHJLKDIAQU-OAQYLSRUSA-N 1 0 298.494 5.291 1 5 in-man CKBFRO CCc1ccc([C@@H](C)CCc2ccc([N+](C)(C)C)cc2)cc1 ZINC000013907156 717110268 /nfs/dbraw/zinc/11/02/68/717110268.db2.gz HGMSJMJPXGGEBP-KRWDZBQOSA-N 1 0 296.478 5.182 1 5 in-man CKBFRO