smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1=[NH+]N(CCN2CC[NH+](C)CC2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@@H]1C ZINC000020713657 210355273 /nfs/dbraw/zinc/35/52/73/210355273.db2.gz SAKHRRDJNYJSEQ-CYBMUJFWSA-N 2 1 388.476 -0.562 50 0 GBAAMP CC1=[NH+]N(CCN2CC[NH+](C)CC2)c2nc3c(c(=O)n(C)c(=O)n3C)n2[C@H]1C ZINC000020713661 210356416 /nfs/dbraw/zinc/35/64/16/210356416.db2.gz SAKHRRDJNYJSEQ-ZDUSSCGKSA-N 2 1 388.476 -0.562 50 0 GBAAMP CCNC(=O)[C@@H]1C[C@H](n2cc(CN(C)C(=O)N3CC[NH+](C)CC3)nn2)C[NH2+]1 ZINC000067894531 205267352 /nfs/dbraw/zinc/26/73/52/205267352.db2.gz KAKKHXZYVSFBMJ-GJZGRUSLSA-N 2 1 378.481 -0.884 50 0 GBAAMP CCNC(=O)[C@@H]1C[C@@H](n2cc(CN(C)C(=O)N3CC[NH+](C)CC3)nn2)C[NH2+]1 ZINC000067973871 205269762 /nfs/dbraw/zinc/26/97/62/205269762.db2.gz KAKKHXZYVSFBMJ-CABCVRRESA-N 2 1 378.481 -0.884 50 0 GBAAMP [NH3+]CCn1cc(C(=O)N2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)nn1 ZINC000071589644 570841407 /nfs/dbraw/zinc/84/14/07/570841407.db2.gz ONZBICZVNJDWPC-AWEZNQCLSA-N 2 1 389.504 -0.168 50 0 GBAAMP [NH3+]CCn1cc(C(=O)N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)nn1 ZINC000071589645 211049903 /nfs/dbraw/zinc/04/99/03/211049903.db2.gz ONZBICZVNJDWPC-CQSZACIVSA-N 2 1 389.504 -0.168 50 0 GBAAMP CC(=O)NCC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071763205 205294639 /nfs/dbraw/zinc/29/46/39/205294639.db2.gz MWSGALDYKHEJII-KRWDZBQOSA-N 2 1 393.532 -0.401 50 0 GBAAMP CC(=O)NCC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071763205 205294636 /nfs/dbraw/zinc/29/46/36/205294636.db2.gz MWSGALDYKHEJII-KRWDZBQOSA-N 2 1 393.532 -0.401 50 0 GBAAMP CC(=O)NCC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071763206 570849988 /nfs/dbraw/zinc/84/99/88/570849988.db2.gz MWSGALDYKHEJII-QGZVFWFLSA-N 2 1 393.532 -0.401 50 0 GBAAMP CC(=O)NCC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CC[NH+](C)CC3)C2)CC1 ZINC000071763206 570849983 /nfs/dbraw/zinc/84/99/83/570849983.db2.gz MWSGALDYKHEJII-QGZVFWFLSA-N 2 1 393.532 -0.401 50 0 GBAAMP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCN(C(=O)CCC(N)=O)CC3)C2)CC1 ZINC000071771480 570852542 /nfs/dbraw/zinc/85/25/42/570852542.db2.gz CYKAFCNARCQIAL-MRXNPFEDSA-N 2 1 393.532 -0.271 50 0 GBAAMP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(C(=O)CCC(N)=O)CC3)C2)CC1 ZINC000071771480 570852541 /nfs/dbraw/zinc/85/25/41/570852541.db2.gz CYKAFCNARCQIAL-MRXNPFEDSA-N 2 1 393.532 -0.271 50 0 GBAAMP C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](C3CCN(C(=O)CCC(N)=O)CC3)C2)CC1 ZINC000071771481 570852692 /nfs/dbraw/zinc/85/26/92/570852692.db2.gz CYKAFCNARCQIAL-INIZCTEOSA-N 2 1 393.532 -0.271 50 0 GBAAMP C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(C(=O)CCC(N)=O)CC3)C2)CC1 ZINC000071771481 570852689 /nfs/dbraw/zinc/85/26/89/570852689.db2.gz CYKAFCNARCQIAL-INIZCTEOSA-N 2 1 393.532 -0.271 50 0 GBAAMP O=C(CCc1cc2n(n1)CCC[NH2+]C2)N1CCC[N@H+]([C@H]2COC[C@@H]2O)CC1 ZINC000072422872 208022698 /nfs/dbraw/zinc/02/26/98/208022698.db2.gz WGQMZOAJDYPIHP-ROUUACIJSA-N 2 1 377.489 -0.397 50 0 GBAAMP O=C(CCc1cc2n(n1)CCC[NH2+]C2)N1CCC[N@@H+]([C@H]2COC[C@@H]2O)CC1 ZINC000072422872 208022693 /nfs/dbraw/zinc/02/26/93/208022693.db2.gz WGQMZOAJDYPIHP-ROUUACIJSA-N 2 1 377.489 -0.397 50 0 GBAAMP [NH3+]CCn1cc(C(=O)N[C@H]2C3CN4CC2(c2ccccc2)C[N@@H+](C3)CC4)nn1 ZINC000077436345 222280465 /nfs/dbraw/zinc/28/04/65/222280465.db2.gz YMBCMGVSBJDGBK-VDUSKEEQSA-N 2 1 381.484 -0.466 50 0 GBAAMP C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000077556078 205364939 /nfs/dbraw/zinc/36/49/39/205364939.db2.gz MAAIWUGZPCAWDD-GOSISDBHSA-N 2 1 383.500 -0.030 50 0 GBAAMP C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000077556078 205364935 /nfs/dbraw/zinc/36/49/35/205364935.db2.gz MAAIWUGZPCAWDD-GOSISDBHSA-N 2 1 383.500 -0.030 50 0 GBAAMP C[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000077556082 222285648 /nfs/dbraw/zinc/28/56/48/222285648.db2.gz MAAIWUGZPCAWDD-SFHVURJKSA-N 2 1 383.500 -0.030 50 0 GBAAMP C[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1cn(CCN2CC[NH2+]CC2)nn1 ZINC000077556082 222285643 /nfs/dbraw/zinc/28/56/43/222285643.db2.gz MAAIWUGZPCAWDD-SFHVURJKSA-N 2 1 383.500 -0.030 50 0 GBAAMP COCC[N@@H+](C)CCN1CC2(CCN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CC2)OC1=O ZINC000102141147 570287475 /nfs/dbraw/zinc/28/74/75/570287475.db2.gz HCOXRPPCCPQFQS-ZSHCYNCHSA-N 2 1 380.489 -0.157 50 0 GBAAMP [NH3+]CCn1cc(C(=O)N[C@@H]2C3CN4CC2(c2ccccc2)C[N@@H+](C3)CC4)nn1 ZINC000107114728 570308452 /nfs/dbraw/zinc/30/84/52/570308452.db2.gz YMBCMGVSBJDGBK-RVSXGSNBSA-N 2 1 381.484 -0.466 50 0 GBAAMP Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)CN2CCC[NH+](C)CC2)[C@H](O)C1 ZINC000426590023 534359065 /nfs/dbraw/zinc/35/90/65/534359065.db2.gz SDKIZITYMGSIGG-QZTJIDSGSA-N 2 1 379.505 -0.020 50 0 GBAAMP Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)CN2CCC[NH+](C)CC2)[C@H](O)C1 ZINC000426590023 534359058 /nfs/dbraw/zinc/35/90/58/534359058.db2.gz SDKIZITYMGSIGG-QZTJIDSGSA-N 2 1 379.505 -0.020 50 0 GBAAMP Cc1noc(C)c1C[NH+]1CC[C@@H](NC(=O)CN2CCC[N@H+](C)CC2)[C@H](O)C1 ZINC000426590023 534359050 /nfs/dbraw/zinc/35/90/50/534359050.db2.gz SDKIZITYMGSIGG-QZTJIDSGSA-N 2 1 379.505 -0.020 50 0 GBAAMP Cc1noc(C)c1C[NH+]1CC[C@@H](NC(=O)CN2CCC[N@@H+](C)CC2)[C@H](O)C1 ZINC000426590023 534359038 /nfs/dbraw/zinc/35/90/38/534359038.db2.gz SDKIZITYMGSIGG-QZTJIDSGSA-N 2 1 379.505 -0.020 50 0 GBAAMP COc1ccc(C(=O)N[C@H]2COC[C@@H]2N2CC[NH+](C)CC2)cc1OCC[NH3+] ZINC000426628693 570503186 /nfs/dbraw/zinc/50/31/86/570503186.db2.gz COXJVJNACXCZQO-HOTGVXAUSA-N 2 1 378.473 -0.223 50 0 GBAAMP