smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160564795 488792233 /nfs/dbraw/zinc/79/22/33/488792233.db2.gz JXPTYJAWZHIKOI-ROUUACIJSA-N 0 3 372.473 0.728 10 70 FCIEHN CC(C)N1C[C@H](NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)[C@@H](C)C1 ZINC000161291821 488795949 /nfs/dbraw/zinc/79/59/49/488795949.db2.gz VHFFSOYNUNFGMH-ZFWWWQNUSA-N 0 3 372.477 0.581 10 70 FCIEHN O=C(NC[C@H](O)CN1CCCCC1)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000160180890 488790037 /nfs/dbraw/zinc/79/00/37/488790037.db2.gz RILPGHVKTGNBPI-ROUUACIJSA-N 0 3 374.485 0.897 10 70 FCIEHN CCN1CCC[C@H]1CN(C)C(=O)N[C@@H]1CCc2nc(COC)nn2C1 ZINC000160644841 488792687 /nfs/dbraw/zinc/79/26/87/488792687.db2.gz YJMWAQXZWDQEQN-KGLIPLIRSA-N 0 3 350.467 0.865 10 70 FCIEHN O=C(Cn1cc(Br)ccc1=O)NCC1CCN(CCO)CC1 ZINC000160643220 488792745 /nfs/dbraw/zinc/79/27/45/488792745.db2.gz ZEUQQSNJHPGGPS-UHFFFAOYSA-N 0 3 372.263 0.431 10 70 FCIEHN C[C@H](C(=O)NC[C@H](O)CN1CCCCC1)n1nnc(-c2ccccc2)n1 ZINC000160012265 488788815 /nfs/dbraw/zinc/78/88/15/488788815.db2.gz NRWMOFBWDJVMNN-ZBFHGGJFSA-N 0 3 358.446 0.864 10 70 FCIEHN CCn1c(=O)[nH]c2cc(C(=O)NC[C@H](O)CN3CCCCC3)ccc2c1=O ZINC000160047027 488789102 /nfs/dbraw/zinc/78/91/02/488789102.db2.gz XYKPGDXVGXOMJV-AWEZNQCLSA-N 0 3 374.441 0.286 10 70 FCIEHN O=C(NC[C@H](O)CN1CCCCC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000160263056 488790454 /nfs/dbraw/zinc/79/04/54/488790454.db2.gz VZJJIXZVTWKQEI-RBUKOAKNSA-N 0 3 361.486 0.850 10 70 FCIEHN C[C@H]1C[C@H](NC(=O)C2CC3(C2)NC(=O)NC3=O)CN1Cc1ccccc1 ZINC000160621273 488792475 /nfs/dbraw/zinc/79/24/75/488792475.db2.gz ABJZAJFXAFFQKK-TXZORMDMSA-N 0 3 356.426 0.754 10 70 FCIEHN O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NC[C@H](O)CN1CCCCC1 ZINC000160621732 488792538 /nfs/dbraw/zinc/79/25/38/488792538.db2.gz HLJXHINPEWEQJY-AWEZNQCLSA-N 0 3 374.441 0.043 10 70 FCIEHN CC(C)c1nc2n(n1)C[C@H](NC(=O)NC[C@H](O)CN1CCCCC1)CC2 ZINC000161373752 488796106 /nfs/dbraw/zinc/79/61/06/488796106.db2.gz PPVJOYXTSAZMLL-CABCVRRESA-N 0 3 364.494 0.862 10 70 FCIEHN Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160564917 488792313 /nfs/dbraw/zinc/79/23/13/488792313.db2.gz JXPTYJAWZHIKOI-ZWKOTPCHSA-N 0 3 372.473 0.728 10 70 FCIEHN CC(C)c1nc2n(n1)C[C@H](NC(=O)NC[C@@H](O)CN1CCCCC1)CC2 ZINC000161373999 488796187 /nfs/dbraw/zinc/79/61/87/488796187.db2.gz PPVJOYXTSAZMLL-HUUCEWRRSA-N 0 3 364.494 0.862 10 70 FCIEHN CCN1CCN(c2ccc(C(=O)NC[C@@H]3CC[C@@H](C(N)=O)O3)cc2)CC1 ZINC000161470785 488797430 /nfs/dbraw/zinc/79/74/30/488797430.db2.gz XWOGQJFMAGHDEF-IRXDYDNUSA-N 0 3 360.458 0.591 10 70 FCIEHN Cc1ccc(-c2nnn(CC(=O)NC[C@H](O)CN3CCCCC3)n2)cc1 ZINC000160001554 229196882 /nfs/dbraw/zinc/19/68/82/229196882.db2.gz VMZAQXDXDNWVKK-INIZCTEOSA-N 0 3 358.446 0.612 10 70 FCIEHN COC(=O)Cn1cc(CCN2CCC(N(C)c3cccnn3)CC2)nn1 ZINC000159893290 488787806 /nfs/dbraw/zinc/78/78/06/488787806.db2.gz JRLZOCJHJFMFEB-UHFFFAOYSA-N 0 3 359.434 0.384 10 70 FCIEHN O=C(NC[C@H](O)CN1CCCCC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000160262917 488790195 /nfs/dbraw/zinc/79/01/95/488790195.db2.gz VZJJIXZVTWKQEI-OALUTQOASA-N 0 3 361.486 0.850 10 70 FCIEHN CCN1CCN(CCCNC(=O)c2cc(S(C)(=O)=O)cs2)CC1 ZINC000160363896 488790901 /nfs/dbraw/zinc/79/09/01/488790901.db2.gz JDBKHJULSRERTK-UHFFFAOYSA-N 0 3 359.517 0.909 10 70 FCIEHN O=C(NC[C@H](O)CN1CCCCC1)c1cc(Cl)ccc1-n1cnnn1 ZINC000160666739 488793274 /nfs/dbraw/zinc/79/32/74/488793274.db2.gz UCVIRXWMAFKCJV-ZDUSSCGKSA-N 0 3 364.837 0.892 10 70 FCIEHN O=C(CN1CCN(c2ccccn2)CC1)NC[C@H](O)CN1CCCCC1 ZINC000160442632 488791376 /nfs/dbraw/zinc/79/13/76/488791376.db2.gz XXRACTHKMUSACO-KRWDZBQOSA-N 0 3 361.490 0.167 10 70 FCIEHN NC(=O)N[C@H](CC(=O)NC[C@H](O)CN1CCCCC1)c1cccs1 ZINC000160695719 488793195 /nfs/dbraw/zinc/79/31/95/488793195.db2.gz UNOZYZRQCZKRIT-QWHCGFSZSA-N 0 3 354.476 0.811 10 70 FCIEHN Cn1c2ccccc2n(CCC(=O)NC[C@H](O)CN2CCCCC2)c1=O ZINC000160645825 488792707 /nfs/dbraw/zinc/79/27/07/488792707.db2.gz 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