smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](O)[C@H](O)[C@@H]1CNc2nc(N)[nH]c(=O)c2N1C(=O)c1cccnc1 ZINC000002077967 374237098 /nfs/dbraw/zinc/23/70/98/374237098.db2.gz YVUVMULMQUVMLL-ARENWVFISA-N 0 1 346.347 -1.070 50 0 EAAAMN Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)[C@H]([NH3+])[C@@H]2SC1 ZINC000002116497 374983254 /nfs/dbraw/zinc/98/32/54/374983254.db2.gz XUTQHTOXGKVJPN-XNCJUZBTSA-N 0 1 328.379 -1.117 50 0 EAAAMN Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)[C@H]([NH3+])[C@H]2SC1 ZINC000002809614 303111512 /nfs/dbraw/zinc/11/15/12/303111512.db2.gz XUTQHTOXGKVJPN-YLWLKBPMSA-N 0 1 328.379 -1.117 50 0 EAAAMN Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H]([NH3+])[C@@H]2SC1 ZINC000002809615 375219937 /nfs/dbraw/zinc/21/99/37/375219937.db2.gz XUTQHTOXGKVJPN-XRGYYRRGSA-N 0 1 328.379 -1.117 50 0 EAAAMN Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H]([NH3+])[C@H]2SC1 ZINC000002809616 303111434 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C[C@@H](NC(=O)[C@H](N)Cc1ccccc1)C(=O)N1CC(=O)NCC1=O ZINC000004760645 210272882 /nfs/dbraw/zinc/27/28/82/210272882.db2.gz FKOSVQRMLAEPTM-ZYHUDNBSSA-N 0 1 332.360 -1.454 50 0 EAAAMN C[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N1CC(=O)NCC1=O ZINC000004760649 210272284 /nfs/dbraw/zinc/27/22/84/210272284.db2.gz FKOSVQRMLAEPTM-PWSUYJOCSA-N 0 1 332.360 -1.454 50 0 EAAAMN N[C@H](Cc1ccccc1)C(=O)N[C@H](CO)C(=O)N1CC(=O)NCC1=O ZINC000004760843 375159270 /nfs/dbraw/zinc/15/92/70/375159270.db2.gz VKYNYRVDFISHGD-VXGBXAGGSA-N 0 1 348.359 -2.482 50 0 EAAAMN C[N@H+](C[C@H](O)CN1CCOCC1)C[C@H](O)CNS(=O)(=O)[O-] ZINC000005319517 685045534 /nfs/dbraw/zinc/04/55/34/685045534.db2.gz GIMCOFJSJAEUJQ-MNOVXSKESA-N 0 1 327.403 -2.635 50 0 EAAAMN CCN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CC(N)=O)CC1 ZINC000005459620 374391026 /nfs/dbraw/zinc/39/10/26/374391026.db2.gz HGZHVJNFOJDDEZ-UHFFFAOYSA-N 0 1 349.395 -1.939 50 0 EAAAMN CS(=O)(=O)N1CCN(C(=O)CSc2nc(N)cc(N)n2)CC1 ZINC000009338751 415320046 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