smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CC[NH+](CCNC(=O)C(=O)N3CCNC(=O)C3)CC2)cc1 ZINC000285689115 1075569000 /nfs/dbraw/zinc/56/90/00/1075569000.db2.gz ANGJDQGXFGUXDA-UHFFFAOYSA-N 1 2 389.456 -1.108 20 10 GACDLO O=C(CN1CC[NH2+]CC1=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000827388429 1073505238 /nfs/dbraw/zinc/50/52/38/1073505238.db2.gz HCLAEJJPHLKISW-UHFFFAOYSA-N 1 2 380.470 -1.031 20 10 GACDLO COc1ccc(N2CC[NH+](CCNC(=O)C(=O)N[C@H]3CCNC3=O)CC2)cc1 ZINC000827590608 1073509413 /nfs/dbraw/zinc/50/94/13/1073509413.db2.gz BIKSGKWAHYQKAO-INIZCTEOSA-N 1 2 389.456 -1.062 20 10 GACDLO COc1ccc(N2CC[NH+](CCNC(=O)C(=O)N[C@H]3CNOC3)CC2)cc1 ZINC000911109719 1074485555 /nfs/dbraw/zinc/48/55/55/1074485555.db2.gz AXNYFXUFNJFDER-AWEZNQCLSA-N 1 2 377.445 -1.047 20 10 GACDLO COc1ccc(N2CC[NH+](CCNC(=O)C(=O)N[C@@H]3CNOC3)CC2)cc1 ZINC000911109720 1074485543 /nfs/dbraw/zinc/48/55/43/1074485543.db2.gz AXNYFXUFNJFDER-CQSZACIVSA-N 1 2 377.445 -1.047 20 10 GACDLO