smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCCc1cccc(Br)c1)NCCN1CCOCC1 ZINC000217481963 178269917 /nfs/dbraw/zinc/26/99/17/178269917.db2.gz TVRDGLDAJFLLLI-UHFFFAOYSA-N 0 0 356.264 1.623 20 70 FDIDRN Cc1ccc([C@H](O)CNS(=O)(=O)c2cccc(C(=O)N(C)C)c2)cc1 ZINC000159428873 173677514 /nfs/dbraw/zinc/67/75/14/173677514.db2.gz SFDRUFIKLWRPBM-QGZVFWFLSA-N 0 0 362.451 1.709 20 70 FDIDRN CCC1(CNC(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)CCC1 ZINC000159551533 173681554 /nfs/dbraw/zinc/68/15/54/173681554.db2.gz OHKGRFCEHFUQCE-LBPRGKRZSA-N 0 0 360.501 1.762 20 70 FDIDRN CCS(=O)(=O)NCC(=O)N[C@@H](c1ccco1)c1ccccc1OC ZINC000159733648 173686837 /nfs/dbraw/zinc/68/68/37/173686837.db2.gz LIUIWCIEUHMXDM-MRXNPFEDSA-N 0 0 352.412 1.433 20 70 FDIDRN C[C@@H](C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1)c1c(F)cccc1F ZINC000159718578 173687148 /nfs/dbraw/zinc/68/71/48/173687148.db2.gz FWYKVJFICNRTHG-MNOVXSKESA-N 0 0 361.414 1.100 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ZINC000159512810 524686489 /nfs/dbraw/zinc/68/64/89/524686489.db2.gz WWUKOJXCDPVSJI-UHFFFAOYSA-N 0 0 367.496 1.863 20 70 FDIDRN NC(=O)C[C@H]1CCCN(C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)C1 ZINC000159519036 524689524 /nfs/dbraw/zinc/68/95/24/524689524.db2.gz XJJJCFCQHIXFBF-OLZOCXBDSA-N 0 0 365.865 1.611 20 70 FDIDRN CS(=O)(=O)N1CC[C@H](CNC(=O)/C=C/c2ccc3ccccc3n2)C1 ZINC000159532112 524690220 /nfs/dbraw/zinc/69/02/20/524690220.db2.gz ZCWGRLZLPZCSJW-MYSGNRETSA-N 0 0 359.451 1.646 20 70 FDIDRN CC(C)CCC(=O)NCC(=O)N1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000159526570 524691042 /nfs/dbraw/zinc/69/10/42/524691042.db2.gz ZWSAELZTGMCWQF-CABCVRRESA-N 0 0 352.431 1.483 20 70 FDIDRN Cc1c(NC(=O)N[C@H]2CC(=O)N(C(C)C)C2=O)cnn1-c1ccccc1F ZINC000159531903 524691252 /nfs/dbraw/zinc/69/12/52/524691252.db2.gz YQBMNQMHBYKTKY-ZDUSSCGKSA-N 0 0 373.388 1.977 20 70 FDIDRN C[C@@H](C(=O)Nc1cccc(Br)c1)N(C)CC(C)(CO)CO ZINC000159541887 524692527 /nfs/dbraw/zinc/69/25/27/524692527.db2.gz PUFGWTPCACFVAL-NSHDSACASA-N 0 0 359.264 1.699 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CC(C)CN(CC(N)=O)C(=O)c1cccc(NC(=O)CCn2ccnc2)c1 ZINC000159688108 524720821 /nfs/dbraw/zinc/72/08/21/524720821.db2.gz CDMVOFRFYIWLAG-UHFFFAOYSA-N 0 0 371.441 1.495 20 70 FDIDRN CNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](Cc3nccn3C)C2)co1 ZINC000159691444 524721218 /nfs/dbraw/zinc/72/12/18/524721218.db2.gz OLSHHVIVLULJIB-GFCCVEGCSA-N 0 0 366.443 1.016 20 70 FDIDRN CN1CCO[C@H]2CN(C(=O)C3CCN(C(=O)Nc4ccccc4)CC3)C[C@@H]21 ZINC000159683967 524722066 /nfs/dbraw/zinc/72/20/66/524722066.db2.gz SXYMBLHTRMTODJ-ROUUACIJSA-N 0 0 372.469 1.472 20 70 FDIDRN CCC[C@H]1C(=O)NCCN1C(=O)Nc1ccc(C(=O)NC)c(Cl)c1 ZINC000159715489 524724746 /nfs/dbraw/zinc/72/47/46/524724746.db2.gz OTWHLKGIWHZVCR-ZDUSSCGKSA-N 0 0 352.822 1.832 20 70 FDIDRN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N(CC(N)=O)CC(C)C)C2)cc1 ZINC000159724343 524726410 /nfs/dbraw/zinc/72/64/10/524726410.db2.gz OIEILRQGNIAZGG-QGZVFWFLSA-N 0 0 359.470 1.817 20 70 FDIDRN COc1ccc(C(=O)CCC(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)cc1F ZINC000159729322 524729530 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CNC(=O)COc1cccc(CC(=O)NC[C@](C)(O)CCC(C)C)c1 ZINC000159765016 524735075 /nfs/dbraw/zinc/73/50/75/524735075.db2.gz BQMZPBMBSGNXGP-LJQANCHMSA-N 0 0 350.459 1.657 20 70 FDIDRN COc1cc(CCC(=O)NCCN2C(=O)CCCC2=O)ccc1Cl ZINC000159772780 524736771 /nfs/dbraw/zinc/73/67/71/524736771.db2.gz KTDSSFIYVUCTCV-UHFFFAOYSA-N 0 0 352.818 1.937 20 70 FDIDRN Cn1cc(C[C@@H]2CCN(C(=O)Nc3ccnn3C[C@@H]3CCOC3)C2)cn1 ZINC000159793150 524738561 /nfs/dbraw/zinc/73/85/61/524738561.db2.gz GVKTVLYQMAZOCN-GJZGRUSLSA-N 0 0 358.446 1.750 20 70 FDIDRN CS(=O)(=O)N[C@H]1CCCN(C(=O)Cc2c[nH]c3ccc(Cl)cc23)C1 ZINC000159791758 524739268 /nfs/dbraw/zinc/73/92/68/524739268.db2.gz DOJYIIDDJHWEPH-ZDUSSCGKSA-N 0 0 369.874 1.904 20 70 FDIDRN COC(=O)C[C@H]1C(=O)NCCN1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000159795557 524740880 /nfs/dbraw/zinc/74/08/80/524740880.db2.gz XAVOYFLVALXXHZ-HNNXBMFYSA-N 0 0 362.817 1.389 20 70 FDIDRN Cc1cccc2nc(CNC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)n(C)c21 ZINC000159805020 524741290 /nfs/dbraw/zinc/74/12/90/524741290.db2.gz 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