smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-] ZINC000004556785 552467194 /nfs/dbraw/zinc/46/71/94/552467194.db2.gz RRBGTUQJDFBWNN-MUGJNUQGSA-N 3 3 530.715 -1.631 40 0 KAABHP CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](N)CCCC[NH3+])[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-] ZINC000150352905 571462585 /nfs/dbraw/zinc/46/25/85/571462585.db2.gz LGIVVZKNEWRIPR-CEGNMAFCSA-N 2 3 672.833 -3.580 40 0 KAABHP NC(=O)NC=C1NC(=O)[C@H](CNC(=O)[C@@H](N)CCC[NH3+])NC(=O)[C@H](CO)NC(=O)[C@@H](N)CNC(=O)[C@H]([C@@H]2CC[NH+]=C(N)N2)NC1=O ZINC000299888748 572142161 /nfs/dbraw/zinc/14/21/61/572142161.db2.gz WBHNJMLZXVGDMO-IZCYVXSHSA-N 2 3 654.690 -8.415 40 0 KAABHP NC(=O)NC=C1NC(=O)[C@H](CNC(=O)[C@@H](N)CCC[NH3+])NC(=O)[C@H](CO)NC(=O)[C@@H](N)CNC(=O)[C@H]([C@H]2CC[NH+]=C(N)N2)NC1=O ZINC000299888749 572142238 /nfs/dbraw/zinc/14/22/38/572142238.db2.gz WBHNJMLZXVGDMO-QWCHWDSCSA-N 2 3 654.690 -8.415 40 0 KAABHP NC(=O)NC=C1NC(=O)C(CNC(=O)[C@@H](N)CCC[NH3+])NC(=O)C(CO)=NC(=O)C(N)CNC(=O)[C@H]([C@H]2CC[NH+]=C(N)N2)NC1=O ZINC001560407536 1066226718 /nfs/dbraw/zinc/22/67/18/1066226718.db2.gz NMQVZIPKWRHWEZ-IETSOEAISA-N 2 3 651.666 -6.937 40 0 KAABHP