smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cccc2[nH+]c3c(C(=O)NCC[NH+](C)C)cccc3c(N)c21 ZINC000027525547 212561822 /nfs/dbraw/zinc/56/18/22/212561822.db2.gz KNZNOVXFIXHFPF-UHFFFAOYSA-N 2 0 338.411 2.270 1 10 EECFRP Oc1cc(O)c(C[NH+]2CCSCC2)cc1C[NH+]1CCSCC1 ZINC000040829636 213391007 /nfs/dbraw/zinc/39/10/07/213391007.db2.gz FNQFYHUFMPSEIE-UHFFFAOYSA-N 2 0 340.514 2.195 1 10 EECFRP COc1ccc(C(=O)NCC[NH+](C)C)c2[nH+]c3ccccc3c(N)c12 ZINC000027524405 202155768 /nfs/dbraw/zinc/15/57/68/202155768.db2.gz SIIHRDYDEGEPRU-UHFFFAOYSA-N 2 0 338.411 2.270 1 10 EECFRP CC1(C)C=C(C(=O)NCCC[NH2+]Cc2ccccc2O)C(C)(C)[NH2+]1 ZINC000040466292 213308866 /nfs/dbraw/zinc/30/88/66/213308866.db2.gz TXOPBDAHVJHDEN-UHFFFAOYSA-N 2 0 331.460 2.075 1 10 EECFRP COc1cc(C(=O)NCC[NH+](C)C)c2[nH+]c3ccccc3c(N)c2c1 ZINC000027525963 212561968 /nfs/dbraw/zinc/56/19/68/212561968.db2.gz VZKXVQWVLAQACG-UHFFFAOYSA-N 2 0 338.411 2.270 1 10 EECFRP