smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N=C1c2ccccc2C(=O)c2c(NCC[NH2+]CCO)ccc(O)c21 ZINC000027628817 202158613 /nfs/dbraw/zinc/15/86/13/202158613.db2.gz PPNDCALYNGCOIX-UHFFFAOYSA-N 1 0 325.368 1.347 1 10 EDCFRO Cn1cc2c3c1cccc3[C@@H]1C[C@@H](C(=O)OCCO)C[N@H+](C)[C@@H]1C2 ZINC000040676555 213366610 /nfs/dbraw/zinc/36/66/10/213366610.db2.gz KZQKCTXYGGRARK-UKPHBRMFSA-N 1 0 328.412 1.674 1 10 EDCFRO COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1OC(=O)Nc1ccc(N)cc1)[N@@H+]2C ZINC000027769586 202160487 /nfs/dbraw/zinc/16/04/87/202160487.db2.gz CYBZNQQOIMXQCO-CBBWQLFWSA-N 1 0 333.388 1.842 1 10 EDCFRO CCOC(=O)N1CCN(/[N+](O)=N/Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000040860413 202464973 /nfs/dbraw/zinc/46/49/73/202464973.db2.gz WIQDVMADBTVXSF-JXAWBTAJSA-N 1 0 339.308 1.540 1 10 EDCFRO COc1cccc2c1C(=O)c1c(OC)cc(C[NH2+]CCO)cc1C2=O ZINC000029335774 202185930 /nfs/dbraw/zinc/18/59/30/202185930.db2.gz GIVQVQSGDSHCDY-UHFFFAOYSA-N 1 0 341.363 1.561 1 10 EDCFRO O=C1c2cccc(O)c2C(=O)c2c(O)cc(C[NH2+]CCCO)cc21 ZINC000029342689 202185250 /nfs/dbraw/zinc/18/52/50/202185250.db2.gz PMKFELFILLXAEU-UHFFFAOYSA-N 1 0 327.336 1.345 1 10 EDCFRO