smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCC[NH+](C)C)[NH+](C)C)cc1 ZINC000005340228 435989052 /nfs/dbraw/zinc/98/90/52/435989052.db2.gz ACPRMGJSKASSHQ-MRXNPFEDSA-N 2 0 349.479 0.149 50 10 ECCARP COC(=O)[C@@]12CN(Cc3ccc(O)c(C[NH+](C)C)c3)C[C@@H]1C[N@H+](C)C2 ZINC000063882298 436647224 /nfs/dbraw/zinc/64/72/24/436647224.db2.gz VTOZXKHQWPKFLH-LPHOPBHVSA-N 2 0 347.459 0.990 50 10 ECCARP CN(C)c1ccc([C@H](CNC(=O)C(=O)NCC[NH+](C)C)[NH+](C)C)cc1 ZINC000005340224 435989318 /nfs/dbraw/zinc/98/93/18/435989318.db2.gz ACPRMGJSKASSHQ-INIZCTEOSA-N 2 0 349.479 0.149 50 10 ECCARP [NH3+]CCNc1ccc(NCC[NH3+])c2c1C(=O)c1ccncc1C2=O ZINC000001535903 435957828 /nfs/dbraw/zinc/95/78/28/435957828.db2.gz PEZPMAYDXJQYRV-UHFFFAOYSA-N 2 0 325.372 0.598 50 10 world ECCARP C[NH+](C)Cc1cc(C[NH+]2CCC3(CC2)NCCNC3=O)ccc1O ZINC000067754391 215202605 /nfs/dbraw/zinc/20/26/05/215202605.db2.gz PJYOQNRCUYYKOD-UHFFFAOYSA-N 2 0 332.448 0.508 50 10 ECCARP