smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])NCCC[C@@H](N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-] ZINC000005706878 560202743 /nfs/dbraw/zinc/20/27/43/560202743.db2.gz OMLWNBVRVJYMBQ-SFYZADRCSA-N 1 3 330.393 -2.590 1 0 endogenous,in-vitro EAAFHO NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)[O-] ZINC000005706879 574412549 /nfs/dbraw/zinc/41/25/49/574412549.db2.gz OMLWNBVRVJYMBQ-JGVFFNPUSA-N 1 3 330.393 -2.590 1 0 endogenous,in-vitro EAAFHO NC(=[NH2+])NCCC[C@@H](N)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)[O-] ZINC000005706880 574412566 /nfs/dbraw/zinc/41/25/66/574412566.db2.gz OMLWNBVRVJYMBQ-HTQZYQBOSA-N 1 3 330.393 -2.590 1 0 endogenous,in-vitro EAAFHO NC(=O)[C@H]1C[C@H](NC(=O)[C@H](N)CCCNC(N)=N[N+](=O)[O-])C[NH2+]1 ZINC000012501568 211393985 /nfs/dbraw/zinc/39/39/85/211393985.db2.gz IUFRDGFKAVLPFZ-XLPZGREQSA-N 1 3 330.349 -3.268 1 0 EAAFHO NC(=O)[C@H]1C[C@@H](NC(=O)[C@H](N)CCCNC(N)=N[N+](=O)[O-])C[NH2+]1 ZINC000013559334 201900793 /nfs/dbraw/zinc/90/07/93/201900793.db2.gz IUFRDGFKAVLPFZ-BWZBUEFSSA-N 1 3 330.349 -3.268 1 0 EAAFHO C[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](N)CCCC[NH3+])C(=O)[O-] ZINC000039831646 213242339 /nfs/dbraw/zinc/24/23/39/213242339.db2.gz XOQMURBBIXRRCR-SRVKXCTJSA-N 1 3 345.444 -1.354 1 0 EAAFHO Nc1nc(N)nc(NCCCNC(=O)[C@@](N)(CCC[NH3+])C(F)F)n1 ZINC000040894924 213398362 /nfs/dbraw/zinc/39/83/62/213398362.db2.gz CJGRZYBNVIYBED-GFCCVEGCSA-N 1 3 347.374 -1.344 1 0 EAAFHO Nc1nc(N)nc(NCCCNC(=O)[C@](N)(CCC[NH3+])C(F)F)n1 ZINC000040894927 213398462 /nfs/dbraw/zinc/39/84/62/213398462.db2.gz CJGRZYBNVIYBED-LBPRGKRZSA-N 1 3 347.374 -1.344 1 0 EAAFHO