smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCC(=O)N1C[C@H](C(=O)[O-])[C@@H](C(=O)OC)C1 ZINC001595704763 982279671 /nfs/dbraw/zinc/27/96/71/982279671.db2.gz GSIQTIPWQLLDBX-KBPBESRZSA-N -1 0 327.421 2.459 20 30 EEEDRM CCCOc1ccc(C(=O)N(CC#N)CC(=O)[O-])cc1OCCC ZINC001595952812 983131271 /nfs/dbraw/zinc/13/12/71/983131271.db2.gz JFYXZFHCGCHHNO-UHFFFAOYSA-N -1 0 334.372 2.315 20 30 EEEDRM C#C[C@@H](NC(=O)Nc1cc(C(=O)[O-])cc2cccnc21)[C@@H]1CCCO1 ZINC001588374434 983344122 /nfs/dbraw/zinc/34/41/22/983344122.db2.gz XFYIFRORQIGQGC-HIFRSBDPSA-N -1 0 339.351 2.235 20 30 EEEDRM CCCn1cc(C(=O)O[C@H](C(=O)[O-])c2ccc(C#N)cc2)c(C)n1 ZINC001596113958 983445097 /nfs/dbraw/zinc/44/50/97/983445097.db2.gz ZVOJJYFGKQDJGF-HNNXBMFYSA-N -1 0 327.340 2.456 20 30 EEEDRM C#CC[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC001588434971 983473956 /nfs/dbraw/zinc/47/39/56/983473956.db2.gz 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C=C(C)C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1OC)C(=O)[O-] ZINC001588547995 983622374 /nfs/dbraw/zinc/62/23/74/983622374.db2.gz KHYPNWMORLDSBA-CQSZACIVSA-N -1 0 329.356 2.030 20 30 EEEDRM C=C(C)CN(CC)C(=O)COC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001588563495 983645514 /nfs/dbraw/zinc/64/55/14/983645514.db2.gz XIAGIIGQZXXEFM-KXBFYZLASA-N -1 0 345.395 2.213 20 30 EEEDRM C=C(C)Cn1c(-c2cnsn2)nnc1N1CCC[C@](C)(C(=O)[O-])C1 ZINC001588578500 983659061 /nfs/dbraw/zinc/65/90/61/983659061.db2.gz JRVRZBNNUBDWDX-HNNXBMFYSA-N -1 0 348.432 2.064 20 30 EEEDRM C=C(C)Cn1c([C@@H](OC)C2CC2)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001588592411 983677735 /nfs/dbraw/zinc/67/77/35/983677735.db2.gz XVLXFDKVQLSVNJ-BNOWGMLFSA-N -1 0 334.420 2.109 20 30 EEEDRM C=C(C)Cn1c([C@@H](C)O)nnc1N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001588599190 983688547 /nfs/dbraw/zinc/68/85/47/983688547.db2.gz IBCXRRJEQHGBGH-OLZOCXBDSA-N -1 0 336.436 2.235 20 30 EEEDRM C=C(CCC(=O)[O-])C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001588614037 983706370 /nfs/dbraw/zinc/70/63/70/983706370.db2.gz JVMIODDCVOSMCC-STQMWFEESA-N -1 0 340.420 2.169 20 30 EEEDRM C=C(COC(=O)c1[nH]c2ccccc2c1CC(=O)[O-])C(=O)OCC ZINC001588637001 983758045 /nfs/dbraw/zinc/75/80/45/983758045.db2.gz CAVMHOPJWCHHAQ-UHFFFAOYSA-N -1 0 331.324 2.071 20 30 EEEDRM C=C[C@@H]1CCCCN1C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001588718868 983958237 /nfs/dbraw/zinc/95/82/37/983958237.db2.gz IGQQALZWXJVUMD-CQSZACIVSA-N -1 0 331.372 2.073 20 30 EEEDRM C=C[C@H]1CCCCN1S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC001588718883 983958265 /nfs/dbraw/zinc/95/82/65/983958265.db2.gz ILISWRXQWVMYEN-VIFPVBQESA-N -1 0 331.340 2.392 20 30 EEEDRM C=CC[C@@H](OC(=O)[C@@H]1CCCN1c1ncnc2sccc21)C(=O)[O-] ZINC001588753838 984089179 /nfs/dbraw/zinc/08/91/79/984089179.db2.gz OKXKVQFHBHVWTN-NWDGAFQWSA-N -1 0 347.396 2.233 20 30 EEEDRM C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1 ZINC001588770716 984135689 /nfs/dbraw/zinc/13/56/89/984135689.db2.gz DWQVCBZUYUAWDP-YPMHNXCESA-N -1 0 332.404 2.352 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CCCCCCO[C@@H](C)C(=O)OCc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC000840599553 1315379499 /nfs/dbraw/zinc/37/94/99/1315379499.db2.gz XSPZZUPLKPKNOX-LBPRGKRZSA-N -1 0 346.387 2.335 20 30 EEEDRM Cc1ccc(C2(C(=O)[N-]S(=O)(=O)CC(C)(C)C#N)CCC2)cc1 ZINC000842752361 1315767274 /nfs/dbraw/zinc/76/72/74/1315767274.db2.gz MKYVAZUQOABPFN-UHFFFAOYSA-N -1 0 334.441 2.413 20 30 EEEDRM Cn1cnc(C#N)c1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC001251326097 1317447586 /nfs/dbraw/zinc/44/75/86/1317447586.db2.gz ZCBNTZBPNSRAJT-UHFFFAOYSA-N -1 0 331.184 2.399 20 30 EEEDRM N#Cc1cc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])ccn1 ZINC001251390095 1317454625 /nfs/dbraw/zinc/45/46/25/1317454625.db2.gz RLIAWWLDRYGUNA-UHFFFAOYSA-N -1 0 344.179 2.188 20 30 EEEDRM Cc1noc([N-]S(=O)(=O)c2ccc(Br)cc2)c1C#N ZINC001251524015 1317466565 /nfs/dbraw/zinc/46/65/65/1317466565.db2.gz RQOWZCLZIHXUHC-UHFFFAOYSA-N -1 0 342.174 2.418 20 30 EEEDRM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)ccnc2C#N)cc1 ZINC001251814803 1317505102 /nfs/dbraw/zinc/50/51/02/1317505102.db2.gz IAZSZXWTCTUFOC-UHFFFAOYSA-N -1 0 330.369 2.021 20 30 EEEDRM C=CCOC[C@@H](O)CNc1ccc2ccccc2c1S(=O)(=O)[O-] ZINC001252478152 1317613891 /nfs/dbraw/zinc/61/38/91/1317613891.db2.gz JPVYRIBHDDFANL-ZDUSSCGKSA-N -1 0 337.397 2.062 20 30 EEEDRM COc1ccc(S(=O)(=O)[N-]c2c(C)ccnc2C#N)cc1OC ZINC001257028288 1318920337 /nfs/dbraw/zinc/92/03/37/1318920337.db2.gz VMYKQXOHKUYMQZ-UHFFFAOYSA-N -1 0 333.369 2.080 20 30 EEEDRM CC(=O)Nc1ccc(O)c([N-]S(=O)(=O)c2ccc(C#N)cc2)c1 ZINC001258135895 1319185684 /nfs/dbraw/zinc/18/56/84/1319185684.db2.gz JWUBLERZFJVBKV-UHFFFAOYSA-N -1 0 331.353 2.023 20 30 EEEDRM C=CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2C#N)c1 ZINC001258290253 1319225244 /nfs/dbraw/zinc/22/52/44/1319225244.db2.gz MHKKSVYTJLUKKK-UHFFFAOYSA-N -1 0 327.365 2.484 20 30 EEEDRM CC(=O)c1cc2c(cc1[N-]S(=O)(=O)c1cccc(C#N)c1)OCO2 ZINC001259124459 1319450704 /nfs/dbraw/zinc/45/07/04/1319450704.db2.gz MBUULAJIZNNJKM-UHFFFAOYSA-N -1 0 344.348 2.290 20 30 EEEDRM N#Cc1c(Br)cccc1[N-]S(=O)(=O)C1CCOCC1 ZINC001259914261 1319735685 /nfs/dbraw/zinc/73/56/85/1319735685.db2.gz PSOAICYBFPQNPK-UHFFFAOYSA-N -1 0 345.218 2.241 20 30 EEEDRM COc1ccc([N-]S(=O)(=O)Cc2ccc(C#N)cc2)c(C#N)c1 ZINC001260044353 1319782837 /nfs/dbraw/zinc/78/28/37/1319782837.db2.gz QDHRJRLSBIOQRW-UHFFFAOYSA-N -1 0 327.365 2.380 20 30 EEEDRM COC(=O)c1ccc(S(=O)(=O)[N-]c2c(C#N)cccc2C#N)cc1 ZINC001260238544 1319844252 /nfs/dbraw/zinc/84/42/52/1319844252.db2.gz DPBYCHWJPWHJRK-UHFFFAOYSA-N -1 0 341.348 2.017 20 30 EEEDRM CC(C)(C)n1cc(C#N)cc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC001260435699 1319887965 /nfs/dbraw/zinc/88/79/65/1319887965.db2.gz NVAWRMOMHVKASU-UHFFFAOYSA-N -1 0 345.384 2.452 20 30 EEEDRM N#CCC1CN(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C1 ZINC001601063831 1350200735 /nfs/dbraw/zinc/20/07/35/1350200735.db2.gz AJXXZSRZMQLCPJ-UHFFFAOYSA-N -1 0 325.271 2.364 20 30 EEEDRM N#CC[C@@]1(O)CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2Cl)C1 ZINC001601063454 1350200810 /nfs/dbraw/zinc/20/08/10/1350200810.db2.gz VRGFNSCHTDRFRV-TZMCWYRMSA-N -1 0 329.183 2.470 20 30 EEEDRM N#CCC1CN(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C1 ZINC001601064198 1350201143 /nfs/dbraw/zinc/20/11/43/1350201143.db2.gz OPZUHPBLWVQNFW-UHFFFAOYSA-N -1 0 328.372 2.362 20 30 EEEDRM N#Cc1ccc(Cl)cc1OS(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001601103754 1350210328 /nfs/dbraw/zinc/21/03/28/1350210328.db2.gz MWHBEGIALSNQDW-UHFFFAOYSA-N -1 0 338.728 2.073 20 30 EEEDRM N#Cc1ccc(Cl)cc1OS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001601103817 1350210441 /nfs/dbraw/zinc/21/04/41/1350210441.db2.gz PNOQQYRXIFOKSA-UHFFFAOYSA-N -1 0 338.728 2.073 20 30 EEEDRM N#Cc1nc(C(=O)[O-])ccc1NCC[C@@H](NC1CC1)C(F)(F)F ZINC001601132610 1350217699 /nfs/dbraw/zinc/21/76/99/1350217699.db2.gz DHXGUMUKZGTTPT-GFCCVEGCSA-N -1 0 328.294 2.136 20 30 EEEDRM Nc1c(NC(=O)C(=O)/C=C\c2ccc(F)cc2)cccc1C(=O)[O-] ZINC001601210342 1350231947 /nfs/dbraw/zinc/23/19/47/1350231947.db2.gz UHNBHXVXOJDDCR-TWGQIWQCSA-N -1 0 328.299 2.327 20 30 EEEDRM C#C[C@@](C)(CC)NS(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC001602670373 1350570557 /nfs/dbraw/zinc/57/05/57/1350570557.db2.gz TUUYMYAYSGDXRK-AWEZNQCLSA-N -1 0 329.805 2.427 20 30 EEEDRM C#C[C@H](NC(=O)NC(C)(C)c1nocc1C(=O)[O-])c1ccc(F)cc1 ZINC001602674540 1350571611 /nfs/dbraw/zinc/57/16/11/1350571611.db2.gz QUNRHLSKALLFAP-ZDUSSCGKSA-N -1 0 345.330 2.421 20 30 EEEDRM C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCCOc1ccc(C(=O)[O-])cc1 ZINC001602747564 1350580302 /nfs/dbraw/zinc/58/03/02/1350580302.db2.gz VQBQAIBSMQAOSI-GOEBONIOSA-N -1 0 348.399 2.044 20 30 EEEDRM C=CC(C)(C)C(=O)N1CCC(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001602781268 1350585775 /nfs/dbraw/zinc/58/57/75/1350585775.db2.gz ZAGCDYGAGFISFY-UHFFFAOYSA-N -1 0 326.404 2.180 20 30 EEEDRM COc1cc(C#N)ccc1C(=O)N[C@](C)(CC(=O)[O-])c1ccncc1 ZINC001607064886 1351405849 /nfs/dbraw/zinc/40/58/49/1351405849.db2.gz ATTLYLOJUHSRAI-GOSISDBHSA-N -1 0 339.351 2.082 20 30 EEEDRM Cc1ccc(C#N)cc1C(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)[O-] ZINC001607724129 1351547040 /nfs/dbraw/zinc/54/70/40/1351547040.db2.gz CXLIYYARLCXHCP-KRWDZBQOSA-N -1 0 336.347 2.224 20 30 EEEDRM O=C([O-])c1csc(C(=O)/C=C/c2cn(Cc3cccnc3)nn2)c1 ZINC001608991505 1351809655 /nfs/dbraw/zinc/80/96/55/1351809655.db2.gz YRZVUGRFQBODRO-ONEGZZNKSA-N -1 0 340.364 2.377 20 30 EEEDRM C=CC[C@H](NC(=O)c1cccc(Br)c1[O-])C(=O)OCC ZINC001321037147 1333002920 /nfs/dbraw/zinc/00/29/20/1333002920.db2.gz INQKMSYTDCPNED-NSHDSACASA-N -1 0 342.189 2.392 20 30 EEEDRM C=CC[C@H](NC(=O)c1cn(C)nc1-c1ccccc1Cl)C(=O)[O-] ZINC001321657110 1333139135 /nfs/dbraw/zinc/13/91/35/1333139135.db2.gz DDJUCRATBALDKZ-ZDUSSCGKSA-N -1 0 333.775 2.500 20 30 EEEDRM C#C[C@H](CCC)NC(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC001609054206 1351825622 /nfs/dbraw/zinc/82/56/22/1351825622.db2.gz BFWFRCRACKBYER-GOEBONIOSA-N -1 0 343.427 2.407 20 30 EEEDRM C#CC[C@H](NC(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1)C(=O)[O-] ZINC001609078717 1351832460 /nfs/dbraw/zinc/83/24/60/1351832460.db2.gz FGQLNUXMWMFQCO-BBRMVZONSA-N -1 0 338.363 2.428 20 30 EEEDRM C#Cc1cccc(N(CC)CC(=O)Nc2nc(CC(=O)[O-])cs2)c1 ZINC001609183796 1351879282 /nfs/dbraw/zinc/87/92/82/1351879282.db2.gz VVXZFQCKCBHHDV-UHFFFAOYSA-N -1 0 343.408 2.217 20 30 EEEDRM C=CC[C@@H](NC(=O)[C@H](C)c1c(C)nn(CC(F)(F)F)c1C)C(=O)[O-] ZINC001327014367 1334203588 /nfs/dbraw/zinc/20/35/88/1334203588.db2.gz SBBGKYMUYDPAIJ-LDYMZIIASA-N -1 0 347.337 2.311 20 30 EEEDRM C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001609287325 1351922904 /nfs/dbraw/zinc/92/29/04/1351922904.db2.gz LQRBRAZYXWSGGT-SECBINFHSA-N -1 0 338.310 2.169 20 30 EEEDRM C=CCC(F)(F)C(=O)OCC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC001609320610 1351932764 /nfs/dbraw/zinc/93/27/64/1351932764.db2.gz TXZXOVCEISOVKL-UHFFFAOYSA-N -1 0 327.283 2.386 20 30 EEEDRM C=CCCC[C@@H](C)NC(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC001609329394 1351934406 /nfs/dbraw/zinc/93/44/06/1351934406.db2.gz XDRLUWCAMCKXIK-GFCCVEGCSA-N -1 0 335.408 2.068 20 30 EEEDRM C=CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001609470234 1351989583 /nfs/dbraw/zinc/98/95/83/1351989583.db2.gz KQLJBEJAEIBMRM-SFHVURJKSA-N -1 0 342.399 2.441 20 30 EEEDRM C=CCn1c(SCC(=O)C(C)(C)C(=O)[O-])nc2ccccc2c1=O ZINC001609485323 1351994012 /nfs/dbraw/zinc/99/40/12/1351994012.db2.gz MLGHCOBQWQCUSX-UHFFFAOYSA-N -1 0 346.408 2.355 20 30 EEEDRM N#Cc1ccc(C=Cc2nc(C(=O)[O-])ccc2-c2nn[nH]n2)c(F)c1 ZINC001609498835 1351999643 /nfs/dbraw/zinc/99/96/43/1351999643.db2.gz RDBOKEIWAPXHPE-HYXAFXHYSA-N -1 0 336.286 2.141 20 30 EEEDRM CC(=O)c1[nH]c(CC(=O)Nc2ccc(C#N)c(F)c2)c(C(=O)[O-])c1C ZINC001609627618 1352044826 /nfs/dbraw/zinc/04/48/26/1352044826.db2.gz PIHZHYBVZIRZBH-UHFFFAOYSA-N -1 0 343.314 2.416 20 30 EEEDRM C=CC[C@H](NC(=O)NCc1cc(N(C)C)nc2ccccc12)C(=O)[O-] ZINC001334181318 1336217954 /nfs/dbraw/zinc/21/79/54/1336217954.db2.gz FLOGOZNYNBWKBB-HNNXBMFYSA-N -1 0 342.399 2.129 20 30 EEEDRM CC(C)(C)C#CC(=O)O[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC001609653003 1352050807 /nfs/dbraw/zinc/05/08/07/1352050807.db2.gz MCORRFBRPPMTNO-LLVKDONJSA-N -1 0 335.381 2.144 20 30 EEEDRM C=CCn1c(-c2cnc[nH]c2=O)nnc1N1CCC[C@@H]1C1CCC1 ZINC001340458858 1337189289 /nfs/dbraw/zinc/18/92/89/1337189289.db2.gz GCLCEEPDFZNVAA-CQSZACIVSA-N -1 0 326.404 2.396 20 30 EEEDRM C=C[C@H](CC)CC(=O)Nc1nc(=NC(=O)C[C@@H](C=C)CC)n(C)[n-]1 ZINC001340998078 1337273291 /nfs/dbraw/zinc/27/32/91/1337273291.db2.gz LZMMEGORSFAWLY-OLZOCXBDSA-N -1 0 333.436 2.319 20 30 EEEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1ccc2scnc2c1 ZINC001342022662 1337307061 /nfs/dbraw/zinc/30/70/61/1337307061.db2.gz VKPVUFTXYYETKR-GFCCVEGCSA-N -1 0 331.397 2.162 20 30 EEEDRM C=C(C)Cn1c(-c2c[n-]n(CC)c2=O)nnc1N(C)[C@@H]1CCSC1 ZINC001343007511 1337326430 /nfs/dbraw/zinc/32/64/30/1337326430.db2.gz PKXPJLREGLUROM-GFCCVEGCSA-N -1 0 348.476 2.385 20 30 EEEDRM CCc1oc(C(=O)[O-])cc1S(=O)(=O)N(C)Cc1cccc(C#N)c1 ZINC001610076086 1352156875 /nfs/dbraw/zinc/15/68/75/1352156875.db2.gz LJBMVVZGVLMGOM-UHFFFAOYSA-N -1 0 348.380 2.233 20 30 EEEDRM COc1ccc(C#N)cc1NCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001610312111 1352204029 /nfs/dbraw/zinc/20/40/29/1352204029.db2.gz OOUOLYYLBMTYEY-UHFFFAOYSA-N -1 0 325.324 2.316 20 30 EEEDRM Cc1nc(COC(=O)Cc2cccc(OCC#N)c2)sc1C(=O)[O-] ZINC001610555617 1352244091 /nfs/dbraw/zinc/24/40/91/1352244091.db2.gz GGGZZGTWYODLHG-UHFFFAOYSA-N -1 0 346.364 2.338 20 30 EEEDRM Cc1sc(NC(=O)COC(=O)c2ccc(C#N)[nH]2)c(C(=O)[O-])c1C ZINC001610592958 1352250578 /nfs/dbraw/zinc/25/05/78/1352250578.db2.gz BABHMOBVBPBZJT-UHFFFAOYSA-N -1 0 347.352 2.058 20 30 EEEDRM Cn1cc(C=CC(=O)c2ccc(N3CCNC3=O)cc2)cc1C(=O)[O-] ZINC001610601800 1352252284 /nfs/dbraw/zinc/25/22/84/1352252284.db2.gz URKHOTIHGOSIPI-FARCUNLSSA-N -1 0 339.351 2.149 20 30 EEEDRM CC(C)[C@H](CNc1cnc(C#N)c(-c2nnn[n-]2)n1)Nc1ccccc1 ZINC001574062084 1343665549 /nfs/dbraw/zinc/66/55/49/1343665549.db2.gz NGIBKZMAPAAMIM-AWEZNQCLSA-N -1 0 349.402 2.077 20 30 EEEDRM C[C@H]1CN(c2cnc(C#N)c(-c3nnn[n-]3)n2)CC[C@H]1c1ccccc1 ZINC001576362521 1344005723 /nfs/dbraw/zinc/00/57/23/1344005723.db2.gz BWMDEYCASRDOGI-GXTWGEPZSA-N -1 0 346.398 2.158 20 30 EEEDRM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC001588442199 1348905395 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2.348 20 30 EEEDRM N#Cc1ccc(N[C@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)cc1 ZINC001605612394 973925742 /nfs/dbraw/zinc/92/57/42/973925742.db2.gz JTWKZSIGDVANQH-IRXDYDNUSA-N -1 0 335.363 2.397 20 30 EEEDRM COc1ccccc1[C@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])OC(C)C ZINC001604883173 974133012 /nfs/dbraw/zinc/13/30/12/974133012.db2.gz AFHWEFBTRVLWMR-YJBOKZPZSA-N -1 0 348.399 2.282 20 30 EEEDRM CC(CC(C)(C)CC(=O)[O-])N=Nc1ccc(S(N)(=O)=O)cc1 ZINC001592444094 978100008 /nfs/dbraw/zinc/10/00/08/978100008.db2.gz JFQGUFFMFSKMJQ-UHFFFAOYSA-N -1 0 327.406 2.013 20 30 EEEDRM C[C@H](CCc1ccc2c(c1)OCO2)NN=Cc1cc(C(=O)[O-])n(C)c1 ZINC001592538880 978416753 /nfs/dbraw/zinc/41/67/53/978416753.db2.gz CIQWKRMHOAHUEK-GFCCVEGCSA-N -1 0 343.383 2.397 20 30 EEEDRM CN(C)S(=O)(=O)c1ccccc1NN=Cc1cccc(C(=O)[O-])c1 ZINC000814939214 978899557 /nfs/dbraw/zinc/89/95/57/978899557.db2.gz IJSFHGAUXKDLLK-UHFFFAOYSA-N -1 0 347.396 2.081 20 30 EEEDRM CCc1[nH]c(C(=O)NCc2ccc(OC)c(C#N)c2)c(C)c1C(=O)[O-] ZINC000833670243 979219597 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EEEDRM C#CC[C@H](NC(=O)c1cnc(-c2c(F)cccc2F)s1)C(=O)[O-] ZINC001588416516 983437257 /nfs/dbraw/zinc/43/72/57/983437257.db2.gz OHJJFSWWSVFAHA-JTQLQIEISA-N -1 0 336.319 2.295 20 30 EEEDRM C#Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])Oc3cc(F)ccc32)cc1 ZINC001588510457 983555713 /nfs/dbraw/zinc/55/57/13/983555713.db2.gz DWCRCOBXGNRLRD-MRXNPFEDSA-N -1 0 325.295 2.299 20 30 EEEDRM C#Cc1ccc(S(=O)(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC001588518054 983567705 /nfs/dbraw/zinc/56/77/05/983567705.db2.gz OFEFOSHBMHWCKY-UHFFFAOYSA-N -1 0 327.361 2.071 20 30 EEEDRM C=C(Br)COC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001588529003 983579373 /nfs/dbraw/zinc/57/93/73/983579373.db2.gz MJFUVTZFROZRMN-UHFFFAOYSA-N -1 0 330.090 2.358 20 30 EEEDRM C=C(C)C[C@H](NC(=O)c1cnn2c1N[C@@H](C)C[C@H]2C(F)F)C(=O)[O-] ZINC001588548586 983624517 /nfs/dbraw/zinc/62/45/17/983624517.db2.gz RGCOEXNKVKJCAW-LSJOCFKGSA-N -1 0 342.346 2.043 20 30 EEEDRM C=C(C)CCC(=O)N[C@@H]1CCCN(c2ccnc(C(=O)[O-])n2)[C@H]1C ZINC001588554820 983632360 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EEEDRM C=C[C@H](COC)NC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC001588692931 983888491 /nfs/dbraw/zinc/88/84/91/983888491.db2.gz NGZWABXAARZUAI-SECBINFHSA-N -1 0 328.752 2.126 20 30 EEEDRM C=CC[C@H](OC(=O)[C@@H]1CCCCN1C(=O)c1ccccc1)C(=O)[O-] ZINC001588753288 984084349 /nfs/dbraw/zinc/08/43/49/984084349.db2.gz DYDXWBUNFACJGC-GJZGRUSLSA-N -1 0 331.368 2.254 20 30 EEEDRM C=CC[C@H](OC(=O)[C@@]12CCC(=O)N1c1ccccc1S2)C(=O)[O-] ZINC001588754026 984091232 /nfs/dbraw/zinc/09/12/32/984091232.db2.gz RJYDSQJCUYTVMT-ZBEGNZNMSA-N -1 0 333.365 2.188 20 30 EEEDRM C=CC[C@@H](OC(=O)c1[nH]c2ccccc2c1CC(=O)OC)C(=O)[O-] ZINC001588756925 984100149 /nfs/dbraw/zinc/10/01/49/984100149.db2.gz QFJYEUFKLMFITH-CYBMUJFWSA-N -1 0 331.324 2.070 20 30 EEEDRM C=CCCCC(=O)N1CCC[C@@H](CNc2ncc(C(=O)[O-])cn2)C1 ZINC001588782487 984172185 /nfs/dbraw/zinc/17/21/85/984172185.db2.gz VTUFYRFVVCHLPA-ZDUSSCGKSA-N -1 0 332.404 2.182 20 30 EEEDRM CCNC(=O)OC[C@H]1CCCCN1Cc1cccc(C(=O)[O-])c1C#N ZINC001596473272 984199708 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C=CCn1c(-c2coc(C#N)c2)nnc1N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001588889685 984480777 /nfs/dbraw/zinc/48/07/77/984480777.db2.gz AKEZZCRQNMEKNQ-QGZVFWFLSA-N -1 0 341.371 2.287 20 30 EEEDRM C=CCn1c([C@H](O)C=C)nnc1N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC001588895464 984493709 /nfs/dbraw/zinc/49/37/09/984493709.db2.gz GPBAPBBDNPZJSZ-QWHCGFSZSA-N -1 0 334.420 2.011 20 30 EEEDRM C=CCn1c([C@@H](O)CCCCC)nnc1N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001588895541 984494463 /nfs/dbraw/zinc/49/44/63/984494463.db2.gz ICOCVLHIOCJSLJ-MCIONIFRSA-N -1 0 336.436 2.235 20 30 EEEDRM C=CCn1c([C@H]2CCCC2(F)F)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588897515 984511189 /nfs/dbraw/zinc/51/11/89/984511189.db2.gz QYUQVSJFJMIGDR-WDEREUQCSA-N -1 0 326.347 2.278 20 30 EEEDRM C=CCn1c(C)cc(C(=O)COC(=O)c2ccc(C(=O)[O-])cn2)c1C ZINC001588897958 984514470 /nfs/dbraw/zinc/51/44/70/984514470.db2.gz XIEWCXSJEZKCII-UHFFFAOYSA-N -1 0 342.351 2.424 20 30 EEEDRM C=CCn1c(N2CC[C@@](C)(C(=O)[O-])C2)nnc1C1(C#N)CCCC1 ZINC001588904060 984526710 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CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCC[C@H](CC#N)C1 ZINC000907030573 784336922 /nfs/dbraw/zinc/33/69/22/784336922.db2.gz VSQMGBNLIPIGDX-GFCCVEGCSA-N -1 0 336.413 2.262 20 30 EEEDRM C#Cc1cccc(NC(=O)C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC000817887171 785023429 /nfs/dbraw/zinc/02/34/29/785023429.db2.gz PDJLZCCKKYMHJR-AWEZNQCLSA-N -1 0 330.384 2.002 20 30 EEEDRM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cccc(-c2nc(=O)o[n-]2)c1 ZINC000908668259 785620959 /nfs/dbraw/zinc/62/09/59/785620959.db2.gz HPJBVWZCAKHUIB-AWEZNQCLSA-N -1 0 341.367 2.170 20 30 EEEDRM CC(C)(C)c1ccc(NC(=O)COC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1 ZINC000819866514 785693265 /nfs/dbraw/zinc/69/32/65/785693265.db2.gz XVVZTARJSIJENI-GOSISDBHSA-N -1 0 346.383 2.470 20 30 EEEDRM CCCC(=O)Nc1ccc(CNC(=O)[C@](C)(C#N)CC(=O)[O-])cc1 ZINC000820297482 785856632 /nfs/dbraw/zinc/85/66/32/785856632.db2.gz ZVIUGGXFKFUQBX-KRWDZBQOSA-N -1 0 331.372 2.046 20 30 EEEDRM C=CCS(=O)(=O)[N-]C(=O)c1cn(-c2ccccc2)nc1C(C)C ZINC000820400482 785899500 /nfs/dbraw/zinc/89/95/00/785899500.db2.gz XWQGRGPTVFFMKV-UHFFFAOYSA-N -1 0 333.413 2.241 20 30 EEEDRM C#CC[C@@H](NC(=O)c1cnn(Cc2ccccc2)c1CCC)C(=O)[O-] ZINC000910052712 786408064 /nfs/dbraw/zinc/40/80/64/786408064.db2.gz HBZDJPBXCUGMTQ-MRXNPFEDSA-N -1 0 339.395 2.090 20 30 EEEDRM C#CC[C@@H](NC(=O)c1ccc(OC2CCCC2)c(OC)c1)C(=O)[O-] ZINC000910052786 786408199 /nfs/dbraw/zinc/40/81/99/786408199.db2.gz IVKVAWMSYRGXKI-CQSZACIVSA-N -1 0 331.368 2.223 20 30 EEEDRM C#CC[C@H](NC(=O)C1(c2ccc(C)c(OC)c2)CCCC1)C(=O)[O-] ZINC000910054114 786408481 /nfs/dbraw/zinc/40/84/81/786408481.db2.gz JPEQBSSGHAYNLO-HNNXBMFYSA-N -1 0 329.396 2.408 20 30 EEEDRM C=CCOc1ccc(/C=C/C(=O)N2CC(C)(C(=O)[O-])C2)cc1OC ZINC000910055688 786409061 /nfs/dbraw/zinc/40/90/61/786409061.db2.gz RIGWLNNMSPWOOW-SOFGYWHQSA-N -1 0 331.368 2.206 20 30 EEEDRM N#CC(C(=O)NC1CC1)=C([O-])c1cnn(Cc2ccccc2Cl)c1 ZINC000129296211 786448513 /nfs/dbraw/zinc/44/85/13/786448513.db2.gz BYMXRAAUXFFPCT-CQSZACIVSA-N -1 0 342.786 2.186 20 30 EEEDRM C=CCOc1ccc(/C=C\C(=O)N2CC([C@@H](F)C(=O)[O-])C2)cc1OC ZINC000910126711 786485256 /nfs/dbraw/zinc/48/52/56/786485256.db2.gz YTORXTSXFXKEBD-XTKXOIQPSA-N -1 0 349.358 2.154 20 30 EEEDRM C#Cc1cncc(C(=O)N2CCC(c3ncc(C(=O)[O-])s3)CC2)c1 ZINC000910212733 786553938 /nfs/dbraw/zinc/55/39/38/786553938.db2.gz UCTFBZGUQUGARY-UHFFFAOYSA-N -1 0 341.392 2.237 20 30 EEEDRM C=C(C)C[C@@H](NC(=O)C[C@H](c1ncc[nH]1)c1ccccc1)C(=O)[O-] ZINC000910295114 786655655 /nfs/dbraw/zinc/65/56/55/786655655.db2.gz UZOWVPVUEBYTMX-LSDHHAIUSA-N -1 0 327.384 2.467 20 30 EEEDRM C=CCCC[C@H](NC(=O)C[C@@H](NC(C)=O)c1ccc(C)cc1)C(=O)[O-] ZINC000910915700 787120794 /nfs/dbraw/zinc/12/07/94/787120794.db2.gz PYHKMHOESZIMGE-DLBZAZTESA-N -1 0 346.427 2.488 20 30 EEEDRM C=CCCCNC(=O)c1cnc(I)c([O-])c1 ZINC000822551315 787260757 /nfs/dbraw/zinc/26/07/57/787260757.db2.gz VCIYGCWNWVMSMJ-UHFFFAOYSA-N -1 0 332.141 2.088 20 30 EEEDRM C#CCOc1cccc([C@@H](C)OC(=O)c2c[nH]c(-c3nn[nH]n3)c2)c1 ZINC000823856107 787964472 /nfs/dbraw/zinc/96/44/72/787964472.db2.gz JLBLKXIHDFXQIM-LLVKDONJSA-N -1 0 337.339 2.125 20 30 EEEDRM N#Cc1ccc([O-])c(NC(=O)c2cn(Cc3cccc(F)c3)nn2)c1 ZINC000150951029 788438833 /nfs/dbraw/zinc/43/88/33/788438833.db2.gz LHCCGNMNTBNQKW-UHFFFAOYSA-N -1 0 337.314 2.295 20 30 EEEDRM N#CC1(C(=O)N2CCC(n3cc(C(=O)[O-])cn3)CC2)CCCCC1 ZINC000923083989 788789643 /nfs/dbraw/zinc/78/96/43/788789643.db2.gz VNNIEYPVVNOCPX-UHFFFAOYSA-N -1 0 330.388 2.219 20 30 EEEDRM C=C(C)CO[N-]C(=O)C(=O)Nc1cc(NC(=O)CC)ccc1Cl ZINC000846150236 790064937 /nfs/dbraw/zinc/06/49/37/790064937.db2.gz CACNXKPGBOOZLG-UHFFFAOYSA-N -1 0 339.779 2.251 20 30 EEEDRM C=C[C@H](C)O[N-]C(=O)C(=O)Nc1ccccc1OC[C@H]1CCCCO1 ZINC000846155460 790065751 /nfs/dbraw/zinc/06/57/51/790065751.db2.gz QIRDMLQCAZUVNR-UONOGXRCSA-N -1 0 348.399 2.195 20 30 EEEDRM C=C[C@H](C)O[N-]C(=O)[C@@H](CCSC)NC(=O)c1cccc(C)c1 ZINC000846541101 790224003 /nfs/dbraw/zinc/22/40/03/790224003.db2.gz DAFUBOATHYDYEF-DZGCQCFKSA-N -1 0 336.457 2.469 20 30 EEEDRM C=C[C@H](C)O[N-]C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C ZINC000846547562 790228542 /nfs/dbraw/zinc/22/85/42/790228542.db2.gz ARTRWLNQDSXHTA-SUMWQHHRSA-N -1 0 343.427 2.474 20 30 EEEDRM Cc1ccc(C(=O)Nc2ccc(OCc3nnn[n-]3)cc2)cc1C#N ZINC001147000957 791617319 /nfs/dbraw/zinc/61/73/19/791617319.db2.gz RXKCWDMRJNKFHF-UHFFFAOYSA-N -1 0 334.339 2.211 20 30 EEEDRM Cc1ncc(CO)c(C(=O)Nc2ccc3nc(C#N)sc3c2)c1[O-] ZINC001147841059 791997056 /nfs/dbraw/zinc/99/70/56/791997056.db2.gz NRUNOYXWQCSKDS-UHFFFAOYSA-N -1 0 340.364 2.322 20 30 EEEDRM Cc1nnc(NN=C2c3ccccc3N(CCC(C)C)C2=O)[n-]c1=O ZINC000916282436 797571291 /nfs/dbraw/zinc/57/12/91/797571291.db2.gz GBSXAQCNKAFODL-UHFFFAOYSA-N -1 0 340.387 2.095 20 30 EEEDRM COCCCNC(=O)C(C#N)=C([O-])c1nc(-c2cccs2)oc1C ZINC000916871526 797923848 /nfs/dbraw/zinc/92/38/48/797923848.db2.gz UWWCSBQKCXBNEW-LLVKDONJSA-N -1 0 347.396 2.187 20 30 EEEDRM COCCCNC(=O)C(C#N)=C([O-])c1ccc(OCC(C)C)cc1 ZINC000916874673 797926305 /nfs/dbraw/zinc/92/63/05/797926305.db2.gz DWPOWXWRLTWTPW-INIZCTEOSA-N -1 0 332.400 2.197 20 30 EEEDRM N#CC(C(=O)NC1CCCCC1)=C([O-])c1ccc(Cn2cccn2)o1 ZINC000916894816 797940015 /nfs/dbraw/zinc/94/00/15/797940015.db2.gz AHZNTWHCJVNJGT-HNNXBMFYSA-N -1 0 340.383 2.296 20 30 EEEDRM Cc1nc2sccc2c(=O)n1N=Cc1ccc([O-])c([N+](=O)[O-])c1 ZINC000917580178 798286141 /nfs/dbraw/zinc/28/61/41/798286141.db2.gz VLGQIPCIQYZYBQ-UHFFFAOYSA-N -1 0 330.325 2.262 20 30 EEEDRM C#CC[C@@H](NC(=O)C(C)(C)c1cccc(Br)c1)C(=O)[O-] ZINC000820352860 798576834 /nfs/dbraw/zinc/57/68/34/798576834.db2.gz NQXVTXIWOHXIDG-GFCCVEGCSA-N -1 0 338.201 2.319 20 30 EEEDRM N#CC(C(=O)NCc1ccc(F)cc1F)=C([O-])c1ccc(C#N)cc1 ZINC000786562548 806812438 /nfs/dbraw/zinc/81/24/38/806812438.db2.gz YJDKZIRXPJEHQP-HNNXBMFYSA-N -1 0 339.301 2.475 20 30 EEEDRM COc1ccc(S(=O)(=O)NCCCCCCS)cc1C(=O)[O-] ZINC001185334049 802472210 /nfs/dbraw/zinc/47/22/10/802472210.db2.gz OOWYGLSXYATVOT-UHFFFAOYSA-N -1 0 347.458 2.162 20 30 EEEDRM N#CC1(CS(=O)(=O)[N-]C(=O)C2(c3ccccc3)CCCC2)CC1 ZINC000793194900 810184128 /nfs/dbraw/zinc/18/41/28/810184128.db2.gz ALBOLMYXSVCGGT-UHFFFAOYSA-N -1 0 332.425 2.248 20 30 EEEDRM N#Cc1cccc(-c2nnc(CN[C@H](Cc3ccccc3)C(=O)[O-])o2)c1 ZINC001601116424 970936088 /nfs/dbraw/zinc/93/60/88/970936088.db2.gz UDTSMBHMSJDBGF-MRXNPFEDSA-N -1 0 348.362 2.394 20 30 EEEDRM C#CCN(CC(=O)[O-])S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC001602699054 971314939 /nfs/dbraw/zinc/31/49/39/971314939.db2.gz DQNOOWPDRJRTNX-UHFFFAOYSA-N -1 0 329.377 2.062 20 30 EEEDRM C=CCCc1ccccc1NC(=O)N[C@@H](C(=O)[O-])c1ccnn1C ZINC001602721879 971383962 /nfs/dbraw/zinc/38/39/62/971383962.db2.gz BRMOPJWTJPCFNH-OAHLLOKOSA-N -1 0 328.372 2.486 20 30 EEEDRM C=CCn1c(-c2cccnc2)nnc1N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC001602729846 971402432 /nfs/dbraw/zinc/40/24/32/971402432.db2.gz IORHQFUVWKLRAI-TZMCWYRMSA-N -1 0 327.388 2.073 20 30 EEEDRM C[C@@H](c1ccc(F)c(F)c1)N(C)c1cnc(C#N)c(-c2nnn[n-]2)n1 ZINC001575503942 949054090 /nfs/dbraw/zinc/05/40/90/949054090.db2.gz NICLOQNKYKHGIY-QMMMGPOBSA-N -1 0 342.313 2.004 20 30 EEEDRM CC(C)[C@@H]1c2ccccc2CCN1c1cnc(-c2nn[nH]n2)c(C#N)n1 ZINC001574100679 949194272 /nfs/dbraw/zinc/19/42/72/949194272.db2.gz WUPGHYFNBRCBNP-QGZVFWFLSA-N -1 0 346.398 2.288 20 30 EEEDRM CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001593657483 953759475 /nfs/dbraw/zinc/75/94/75/953759475.db2.gz FCHVVYBQJKYBAN-QGZVFWFLSA-N -1 0 325.372 2.138 20 30 EEEDRM Cn1c(-c2coc(C#N)c2)nnc1N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001594516235 955416374 /nfs/dbraw/zinc/41/63/74/955416374.db2.gz XMYMYKVLSVYUHT-NSHDSACASA-N -1 0 329.360 2.028 20 30 EEEDRM Cn1c(=O)c2ccccc2nc1NN=Cc1ccc(C(=O)[O-])s1 ZINC001594521287 955459003 /nfs/dbraw/zinc/45/90/03/955459003.db2.gz DCRBLHOHTPHLER-UHFFFAOYSA-N -1 0 328.353 2.139 20 30 EEEDRM C[C@H](COc1cccc(C#N)c1)OC(=O)c1ccc(C(=O)[O-])cn1 ZINC001589076699 955823527 /nfs/dbraw/zinc/82/35/27/955823527.db2.gz ZQNMHJHFABEFBA-LLVKDONJSA-N -1 0 326.308 2.276 20 30 EEEDRM C[C@@](O)(CNC(=O)Nc1cccc(C#Cc2ccccc2)c1)C(=O)[O-] ZINC001589143608 956269522 /nfs/dbraw/zinc/26/95/22/956269522.db2.gz BJZSXLMBNIMZSD-LJQANCHMSA-N -1 0 338.363 2.044 20 30 EEEDRM COc1cc(C#N)ccc1C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC001594049194 957962660 /nfs/dbraw/zinc/96/26/60/957962660.db2.gz JMZZWAZFWKVCBK-LJQANCHMSA-N -1 0 338.363 2.339 20 30 EEEDRM C=CCO[C@@H]1CCN(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)C1 ZINC001343147616 958036190 /nfs/dbraw/zinc/03/61/90/958036190.db2.gz IEXJLACSNCVZNA-DAXOMENPSA-N -1 0 330.384 2.286 20 30 EEEDRM C#CCN(CC(=O)[O-])C(=O)Nc1nc(Cc2ccccc2)cs1 ZINC001588417427 958173349 /nfs/dbraw/zinc/17/33/49/958173349.db2.gz NXOPSTHRGPOGTB-UHFFFAOYSA-N -1 0 329.381 2.286 20 30 EEEDRM C#CCN(CC(=O)[O-])[C@H](C)C(=O)N[C@H](C)c1cccc2ccccc21 ZINC001588420084 958197977 /nfs/dbraw/zinc/19/79/77/958197977.db2.gz LCICZVJUADJYQA-HUUCEWRRSA-N -1 0 338.407 2.425 20 30 EEEDRM C=C(C)Cn1c(N2CC[C@H](C(=O)[O-])[C@@H](C)C2)nnc1C(C)(C)C#N ZINC001588442698 958347999 /nfs/dbraw/zinc/34/79/99/958347999.db2.gz JSAHHZMFNJVZSF-STQMWFEESA-N -1 0 331.420 2.202 20 30 EEEDRM C=CCCC(=O)[C@H]1CCCN1C(=O)c1cccc(OCC(=O)[O-])c1 ZINC001588457162 958444494 /nfs/dbraw/zinc/44/44/94/958444494.db2.gz NQZXZORKRBVVDH-OAHLLOKOSA-N -1 0 331.368 2.290 20 30 EEEDRM C#CCOCCC(=O)Nc1sc2c(c1C(=O)[O-])C[C@H](C)O[C@@H]2C ZINC001573327725 958491505 /nfs/dbraw/zinc/49/15/05/958491505.db2.gz UTFBSPAKJMSOHF-VHSXEESVSA-N -1 0 337.397 2.447 20 30 EEEDRM C=CCOc1ccc(C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])cc1 ZINC001588466304 958509827 /nfs/dbraw/zinc/50/98/27/958509827.db2.gz IUABRQBJMMJWRF-INIZCTEOSA-N -1 0 326.352 2.072 20 30 EEEDRM C=CCOc1ccc(C=CC(=O)Nc2cc(C(=O)[O-])n[nH]2)cc1OC ZINC001588466392 958511408 /nfs/dbraw/zinc/51/14/08/958511408.db2.gz NSIASYNLWHVQIM-FNORWQNLSA-N -1 0 343.339 2.333 20 30 EEEDRM CCC[C@](C)(NS(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)[O-] ZINC000126038607 958578305 /nfs/dbraw/zinc/57/83/05/958578305.db2.gz QPSWZOFDXVFNOF-ZDUSSCGKSA-N -1 0 330.793 2.133 20 30 EEEDRM COc1ccccc1-c1ccnc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])n1 ZINC001594136549 958712529 /nfs/dbraw/zinc/71/25/29/958712529.db2.gz WJTQQPHVMSONOQ-QGZVFWFLSA-N -1 0 340.339 2.095 20 30 EEEDRM N#Cc1cccc(C(=O)Nc2ccc(C(=O)NCCC(=O)[O-])cc2)c1 ZINC000170584683 959419315 /nfs/dbraw/zinc/41/93/15/959419315.db2.gz ASVBQFZDXLMZNI-UHFFFAOYSA-N -1 0 337.335 2.015 20 30 EEEDRM Cc1c2cc(C#N)ccc2sc1C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC001594257854 959669307 /nfs/dbraw/zinc/66/93/07/959669307.db2.gz QNONHPAIXURXNV-GFCCVEGCSA-N -1 0 330.365 2.007 20 30 EEEDRM CC(C)(C)CC[C@H](NS(=O)(=O)Cc1csc(C#N)c1)C(=O)[O-] ZINC001588652908 959785595 /nfs/dbraw/zinc/78/55/95/959785595.db2.gz IISHPXPXDYRRMV-LBPRGKRZSA-N -1 0 344.458 2.319 20 30 EEEDRM C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001603286579 972524918 /nfs/dbraw/zinc/52/49/18/972524918.db2.gz HRHXZWRPRYWESI-WQVCFCJDSA-N -1 0 330.384 2.348 20 30 EEEDRM N#Cc1c(N)sc2c1CCN(C(=O)Nc1ccccc1C(=O)[O-])C2 ZINC001574480103 961658647 /nfs/dbraw/zinc/65/86/47/961658647.db2.gz WJVNKECXVALPLN-UHFFFAOYSA-N -1 0 342.380 2.490 20 30 EEEDRM C#CC[C@@H](NC(=O)C(C)(C)c1ccc(Br)cc1)C(=O)[O-] ZINC001339540857 962044400 /nfs/dbraw/zinc/04/44/00/962044400.db2.gz XJHSKWGGIBFWKC-GFCCVEGCSA-N -1 0 338.201 2.319 20 30 EEEDRM COC(=O)c1cc(NC(=O)c2ccsc2C#N)ccc1C(=O)[O-] ZINC001571193617 962293022 /nfs/dbraw/zinc/29/30/22/962293022.db2.gz WYPURHDTIUAXCI-UHFFFAOYSA-N -1 0 330.321 2.357 20 30 EEEDRM C[C@H](CC(=O)[O-])NC(=O)Nc1ccc(C#N)c(Br)c1 ZINC000311928129 963522259 /nfs/dbraw/zinc/52/22/59/963522259.db2.gz CUGQIDIJYMUXCA-SSDOTTSWSA-N -1 0 326.150 2.305 20 30 EEEDRM C=C(C)Cn1c([C@H](CC)[C@@H](C)O)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588443906 964062810 /nfs/dbraw/zinc/06/28/10/964062810.db2.gz ZVPXPAKXZDZBOH-TZMCWYRMSA-N -1 0 336.436 2.030 20 30 EEEDRM C=C(C)Cn1c([C@@H](CC)[C@@H](C)O)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588443905 964063249 /nfs/dbraw/zinc/06/32/49/964063249.db2.gz ZVPXPAKXZDZBOH-OCCSQVGLSA-N -1 0 336.436 2.030 20 30 EEEDRM C#CCCCn1c(-c2ccc(C)o2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588447133 964082721 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EEEDRM N#C[C@@H](NC(=O)[C@@H]1CC[C@H]1C(=O)[O-])c1ccccc1Br ZINC001605576245 973846790 /nfs/dbraw/zinc/84/67/90/973846790.db2.gz LCEIPMIHAVTNSD-KBVBSXBZSA-N -1 0 337.173 2.241 20 30 EEEDRM CC(C)c1ccc(NC(=O)C(=O)N2CCC[C@@H](C#N)C2)c(C(=O)[O-])c1 ZINC001591960355 976543900 /nfs/dbraw/zinc/54/39/00/976543900.db2.gz WAHBRPYTKWSXFK-LBPRGKRZSA-N -1 0 343.383 2.209 20 30 EEEDRM CO[C@@]1(C(=O)[O-])CCN(c2cc(Br)c(C#N)cc2F)C1 ZINC000705857590 977297422 /nfs/dbraw/zinc/29/74/22/977297422.db2.gz GOXBWPXJJJRMDJ-ZDUSSCGKSA-N -1 0 343.152 2.140 20 30 EEEDRM C[C@@H](CC(=O)[O-])CC(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 ZINC001592375612 977910796 /nfs/dbraw/zinc/91/07/96/977910796.db2.gz NVAGMFMJZKBATB-CZUORRHYSA-N -1 0 329.400 2.096 20 30 EEEDRM C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000794837060 978822120 /nfs/dbraw/zinc/82/21/20/978822120.db2.gz DIMVJCJJUSBBBL-INIZCTEOSA-N -1 0 343.404 2.298 20 30 EEEDRM C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000794839806 978822465 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C#CCOc1cc(F)ccc1NC(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1 ZINC000872710115 980090977 /nfs/dbraw/zinc/09/09/77/980090977.db2.gz GVWBPMDKVSSVMJ-WCQYABFASA-N -1 0 335.331 2.046 20 30 EEEDRM CCCC(C#N)(CCC)NS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001595532350 981371713 /nfs/dbraw/zinc/37/17/13/981371713.db2.gz HYVSDPYJXXSVFM-UHFFFAOYSA-N -1 0 338.429 2.455 20 30 EEEDRM CC[C@H](C(=O)[O-])N(c1ccccc1)S(=O)(=O)c1ccc(C#N)nc1 ZINC001594770472 981739435 /nfs/dbraw/zinc/73/94/35/981739435.db2.gz QGIUNQGBFMPLLV-OAHLLOKOSA-N -1 0 345.380 2.012 20 30 EEEDRM CCCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC001595833595 982731245 /nfs/dbraw/zinc/73/12/45/982731245.db2.gz RNIQZTNKWAVVAJ-VIFPVBQESA-N -1 0 330.793 2.085 20 30 EEEDRM C#C[C@@H](NC(=O)NCc1cc(C(=O)[O-])c(C)n1C)c1ccccc1 ZINC001588373356 983337973 /nfs/dbraw/zinc/33/79/73/983337973.db2.gz DTZQUESKBGGWQY-MRXNPFEDSA-N -1 0 325.368 2.205 20 30 EEEDRM C#C[C@H]1CCCN(C(=O)NC[C@@](CC)(C(=O)[O-])c2ccccc2)C1 ZINC001588382925 983375278 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EEEDRM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC001588536530 983594471 /nfs/dbraw/zinc/59/44/71/983594471.db2.gz YDHUKFSMTOAKIW-YOEHRIQHSA-N -1 0 344.411 2.434 20 30 EEEDRM C=C(C)C[C@@H](NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001588537099 983597512 /nfs/dbraw/zinc/59/75/12/983597512.db2.gz ILXZCRKHHKVOMA-LLVKDONJSA-N -1 0 344.289 2.180 20 30 EEEDRM C=C(C)C[C@H](NC(=O)[C@@H](C(C)C)N1Cc2ccccc2C1=O)C(=O)[O-] ZINC001588544280 983614307 /nfs/dbraw/zinc/61/43/07/983614307.db2.gz ZYHHXWBRCSHTSU-JKSUJKDBSA-N -1 0 344.411 2.203 20 30 EEEDRM C=C(C)Cn1c([C@H]2CCO[C@@H]2C)nnc1N1CCC(C(=O)[O-])CC1 ZINC001588591388 983672466 /nfs/dbraw/zinc/67/24/66/983672466.db2.gz ILTPMKOPVMVEMS-OCCSQVGLSA-N -1 0 334.420 2.048 20 30 EEEDRM C=C(CCC(=O)[O-])C(=O)N(CCC)C[C@@H]1COc2ccccc2O1 ZINC001588612116 983701806 /nfs/dbraw/zinc/70/18/06/983701806.db2.gz JBEFXCFFRFKXSU-CQSZACIVSA-N -1 0 333.384 2.486 20 30 EEEDRM C=C(CCC(=O)[O-])C(=O)N[C@@]1(C(=O)OC)CC[C@H](C)c2ccccc21 ZINC001588622028 983721830 /nfs/dbraw/zinc/72/18/30/983721830.db2.gz NSKDVOTUDSBCOX-BUXKBTBVSA-N -1 0 345.395 2.489 20 30 EEEDRM C=C(CCC(=O)[O-])C(=O)NCc1cc(-c2ccc(OC)cc2)no1 ZINC001588629757 983739038 /nfs/dbraw/zinc/73/90/38/983739038.db2.gz JTBVSVAVYQTSPR-UHFFFAOYSA-N -1 0 330.340 2.387 20 30 EEEDRM C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CC(=O)[O-])C1CC1 ZINC001588642033 983763840 /nfs/dbraw/zinc/76/38/40/983763840.db2.gz OOCGNTHVZHMPOS-LLVKDONJSA-N -1 0 346.811 2.098 20 30 EEEDRM C=C[C@@H](OC(=O)[C@]1(C)CC1(Br)Br)C(=O)[O-] ZINC001588706389 983930858 /nfs/dbraw/zinc/93/08/58/983930858.db2.gz YVNAMNSOJSAQNE-XRGYYRRGSA-N -1 0 341.983 2.065 20 30 EEEDRM C=CC[C@H](CC)NC(=O)C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001588735590 984019750 /nfs/dbraw/zinc/01/97/50/984019750.db2.gz FTHDAQBGGJATQF-JTQLQIEISA-N -1 0 329.356 2.276 20 30 EEEDRM C=CC[C@H](OC(=O)[C@@H]1[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21)C(=O)[O-] ZINC001588754435 984094085 /nfs/dbraw/zinc/09/40/85/984094085.db2.gz ZYEAHPXOTXGFDO-MROQNXINSA-N -1 0 339.388 2.062 20 30 EEEDRM C=CC[C@H](OC(=O)c1cnn(C(C)C)c1Br)C(=O)[O-] ZINC001588758925 984108677 /nfs/dbraw/zinc/10/86/77/984108677.db2.gz MFMIFZPBIGFTLY-VIFPVBQESA-N -1 0 331.166 2.413 20 30 EEEDRM C=CC[C@@H]1CCN(Cc2nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]2)C1 ZINC001588772964 984145809 /nfs/dbraw/zinc/14/58/09/984145809.db2.gz SBGZTSKOYSUVRU-SNVBAGLBSA-N -1 0 333.413 2.389 20 30 EEEDRM C=CCC[C@@H](NC(=O)CC1(CC(=O)[O-])CCCC1)C(=O)OCC ZINC001588779005 984164068 /nfs/dbraw/zinc/16/40/68/984164068.db2.gz QEJFFJKYXXHNGT-CYBMUJFWSA-N -1 0 325.405 2.426 20 30 EEEDRM C=CCCC[C@H](NC(=O)c1ccc(Br)[nH]c1=O)C(=O)[O-] ZINC001588793549 984219955 /nfs/dbraw/zinc/21/99/55/984219955.db2.gz ZHDFKIBQGGLXHV-VIFPVBQESA-N -1 0 343.177 2.089 20 30 EEEDRM C=CCCC[C@@H](NC(=O)c1ccc([C@H]2CCC(=O)N2)cc1)C(=O)[O-] ZINC001588793582 984220206 /nfs/dbraw/zinc/22/02/06/984220206.db2.gz ZYEHGUDDKIBMHA-HUUCEWRRSA-N -1 0 330.384 2.177 20 30 EEEDRM C=CCCC[C@@H](NC(=O)c1c(C)nc(C(C)(C)C)[nH]c1=O)C(=O)[O-] ZINC001588794108 984224929 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COc1ccc(C[C@@H](C)CN(C)C(=O)[C@](C)(C#N)CC(=O)[O-])cc1 ZINC000820832215 597604895 /nfs/dbraw/zinc/60/48/95/597604895.db2.gz HNGGIAKRVFAXAR-ACJLOTCBSA-N -1 0 332.400 2.337 20 30 EEEDRM COc1cc(Br)cc(NC(=O)[C@](C)(C#N)CC(=O)[O-])c1 ZINC000820754771 597606418 /nfs/dbraw/zinc/60/64/18/597606418.db2.gz ODILHAQOGIMCDY-ZDUSSCGKSA-N -1 0 341.161 2.401 20 30 EEEDRM Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000821112398 597614844 /nfs/dbraw/zinc/61/48/44/597614844.db2.gz YILBEFXVQKBAKJ-PXAZEXFGSA-N -1 0 332.356 2.178 20 30 EEEDRM CCc1csc([C@@H]2CCCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C2)n1 ZINC000820493014 597647400 /nfs/dbraw/zinc/64/74/00/597647400.db2.gz WHCQNUPSZPHINZ-BZNIZROVSA-N -1 0 335.429 2.416 20 30 EEEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1cc(-c2cc(F)cc(F)c2)[nH]n1 ZINC000819848607 597655313 /nfs/dbraw/zinc/65/53/13/597655313.db2.gz UFFLBTUBWSQLJW-HNNXBMFYSA-N -1 0 334.282 2.298 20 30 EEEDRM Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])CC3 ZINC000821103347 597663598 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20 30 EEEDRM CN(C(=O)CSc1ccc(C#N)cn1)c1ccccc1C(=O)[O-] ZINC001598033630 990256476 /nfs/dbraw/zinc/25/64/76/990256476.db2.gz YKFHJKVKVPNXSP-UHFFFAOYSA-N -1 0 327.365 2.407 20 30 EEEDRM CN(C)c1ccc(OC(=O)COc2cccc(C#N)c2)cc1C(=O)[O-] ZINC001598329645 991363369 /nfs/dbraw/zinc/36/33/69/991363369.db2.gz VKBXTJUPOAGGRP-UHFFFAOYSA-N -1 0 340.335 2.307 20 30 EEEDRM CN([C@H]1CCC[C@@H]1C#N)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001598370704 991535815 /nfs/dbraw/zinc/53/58/15/991535815.db2.gz ZMICMEZAMJOFFY-RNCFNFMXSA-N -1 0 342.804 2.351 20 30 EEEDRM CN(CC1CCCCC1)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001598455200 991928251 /nfs/dbraw/zinc/92/82/51/991928251.db2.gz JTJQNFYKFQKEBK-UHFFFAOYSA-N -1 0 336.413 2.457 20 30 EEEDRM CC(C)N(CCC(=O)[O-])C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC001591584406 992793932 /nfs/dbraw/zinc/79/39/32/992793932.db2.gz XJKRYNMAIOKXSD-UHFFFAOYSA-N -1 0 326.356 2.069 20 30 EEEDRM C[C@@H](NC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)c1cccc(C#N)c1 ZINC001593110249 993781564 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2.174 20 30 EEEDRM N#CCN(CCC(=O)[O-])CC(=O)Nc1cccc(Cl)c1Cl ZINC001601072699 1118512372 /nfs/dbraw/zinc/51/23/72/1118512372.db2.gz LUGOAGZIDXWMSB-UHFFFAOYSA-N -1 0 330.171 2.232 20 30 EEEDRM N#CC(C(=O)N1CCCC1)=C([O-])c1ccc(OC(F)F)cc1F ZINC001515317943 1118963715 /nfs/dbraw/zinc/96/37/15/1118963715.db2.gz HLNVQMAWMFUHQH-NSHDSACASA-N -1 0 326.274 2.372 20 30 EEEDRM Cc1cnc(Cl)cc1C([O-])=C(C#N)C(=O)NCCCOC(C)C ZINC001515317315 1118963757 /nfs/dbraw/zinc/96/37/57/1118963757.db2.gz BFCBJVGUHZGFNF-CYBMUJFWSA-N -1 0 337.807 2.297 20 30 EEEDRM C=C(C)Cn1c(-c2c[n-]c(=O)c(C#N)c2)nnc1N1CC[C@@H]2C[C@@H]2C1 ZINC001515384842 1118971039 /nfs/dbraw/zinc/97/10/39/1118971039.db2.gz IBNKGKWUSRRQRG-IUODEOHRSA-N -1 0 336.399 2.340 20 30 EEEDRM CSc1[n-]c(=O)c(C(=O)N2[C@H](C)CC(=O)C[C@@H]2C2CC2)cc1C#N ZINC001548527041 1124322263 /nfs/dbraw/zinc/32/22/63/1124322263.db2.gz FSBFVRDJNFYFRK-YMTOWFKASA-N -1 0 345.424 2.353 20 30 EEEDRM C[C@@H](NC(=O)OC(C)(C)C)C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000048406043 213937130 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CCOc1ccc(/C=C\C(=O)[N-]S(=O)(=O)CC2(C#N)CCC2)cc1 ZINC000492653919 246558896 /nfs/dbraw/zinc/55/88/96/246558896.db2.gz WWRBUGQHZYLTFR-TWGQIWQCSA-N -1 0 348.424 2.238 20 30 EEEDRM CC(N=Nc1ccc(C(=O)[O-])nc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000496742631 247650228 /nfs/dbraw/zinc/65/02/28/247650228.db2.gz BWBLYUIZIUPLAZ-UHFFFAOYSA-N -1 0 334.376 2.435 20 30 EEEDRM CS(=O)(=O)[N-]C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000095393156 218325128 /nfs/dbraw/zinc/32/51/28/218325128.db2.gz ABSPGTHYIQFGTP-UHFFFAOYSA-N -1 0 335.263 2.020 20 30 EEEDRM C#CCN(Cc1ccccc1)C(=O)N=c1nc([C@H](C)OC)[n-]s1 ZINC000491642837 533137541 /nfs/dbraw/zinc/13/75/41/533137541.db2.gz CDBYGLCTCWEZOY-LBPRGKRZSA-N -1 0 330.413 2.335 20 30 EEEDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ncccc2C#N)c1[N+](=O)[O-] ZINC000191802035 152275097 /nfs/dbraw/zinc/27/50/97/152275097.db2.gz YTJNMFVCKMGWSC-UHFFFAOYSA-N -1 0 332.341 2.279 20 30 EEEDRM C[C@@H]1CC[C@H](C(=O)[O-])CN1S(=O)(=O)c1cccc(Cl)c1C#N ZINC000263133858 152384202 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CC(C)NC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000361122712 164430382 /nfs/dbraw/zinc/43/03/82/164430382.db2.gz YYTCWRRALBYPAO-UHFFFAOYSA-N -1 0 348.384 2.482 20 30 EEEDRM CC(C)COCCC[N-]S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000124096799 222375703 /nfs/dbraw/zinc/37/57/03/222375703.db2.gz SFHMBZLRPGXZPS-UHFFFAOYSA-N -1 0 332.372 2.177 20 30 EEEDRM Cc1ccnc([C@H](NS(=O)(=O)c2cccc(C#N)c2)C2CC2)n1 ZINC000097114640 264012484 /nfs/dbraw/zinc/01/24/84/264012484.db2.gz ALVZDNZBQPYUMK-OAHLLOKOSA-N -1 0 328.397 2.086 20 30 EEEDRM CCCOc1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)c(OC)c1 ZINC000294788563 270018112 /nfs/dbraw/zinc/01/81/12/270018112.db2.gz HHZAWNLRWQXZCQ-UHFFFAOYSA-N -1 0 325.328 2.203 20 30 EEEDRM Cc1ccc(C#N)cc1S(=O)(=O)N1CC[C@@H]2CC[C@H](C(=O)[O-])C[C@@H]21 ZINC000290670741 267394695 /nfs/dbraw/zinc/39/46/95/267394695.db2.gz OWENTPABAYGIAI-KKUMJFAQSA-N -1 0 348.424 2.131 20 30 EEEDRM N#Cc1cccc(-c2nnc([N-]S(=O)(=O)c3ccccc3)o2)c1 ZINC000430331550 268265071 /nfs/dbraw/zinc/26/50/71/268265071.db2.gz NVSBRKBRRCZZFG-UHFFFAOYSA-N -1 0 326.337 2.409 20 30 EEEDRM N#Cc1ccc(S(=O)(=O)N2[C@H](C(=O)[O-])CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000325829125 303198941 /nfs/dbraw/zinc/19/89/41/303198941.db2.gz OVIBEMARMIMQAD-BPUTZDHNSA-N -1 0 348.424 2.355 20 30 EEEDRM C[C@H]1CC[C@@](CNS(=O)(=O)c2cccc(C#N)c2)(CC(=O)[O-])C1 ZINC000548554894 318395788 /nfs/dbraw/zinc/39/57/88/318395788.db2.gz DNMBCNUPROHUIU-LRDDRELGSA-N -1 0 336.413 2.118 20 30 EEEDRM CCC[C@@H](C)C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1F)C(=O)[O-] ZINC000548590901 318397167 /nfs/dbraw/zinc/39/71/67/318397167.db2.gz FCHWXZPRHXLPJP-ZWNOBZJWSA-N -1 0 342.392 2.255 20 30 EEEDRM C[C@H]1CC[C@](CNS(=O)(=O)c2ccc(C#N)s2)(CC(=O)[O-])C1 ZINC000564154965 319069322 /nfs/dbraw/zinc/06/93/22/319069322.db2.gz YKKDPQOATCFGBZ-IINYFYTJSA-N -1 0 342.442 2.179 20 30 EEEDRM C=CCCc1noc(C[N-]S(=O)(=O)c2ccc(Cl)s2)n1 ZINC000351130318 465079883 /nfs/dbraw/zinc/07/98/83/465079883.db2.gz MQCYMQLTKCQEFA-UHFFFAOYSA-N -1 0 333.822 2.382 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EEEDRM CC[C@H](CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC001603556077 973635989 /nfs/dbraw/zinc/63/59/89/973635989.db2.gz GPALSWCQXFITEZ-CQSZACIVSA-N -1 0 327.384 2.468 20 30 EEEDRM COCCOCc1cc(C#N)ccc1N1CCC(C)(C(=O)[O-])CC1 ZINC001604618642 973739917 /nfs/dbraw/zinc/73/99/17/973739917.db2.gz YMDXWVQBKCLWMX-UHFFFAOYSA-N -1 0 332.400 2.412 20 30 EEEDRM N#CCc1ccccc1S(=O)(=O)NC1(C(=O)[O-])CCCCCC1 ZINC001605601534 973904745 /nfs/dbraw/zinc/90/47/45/973904745.db2.gz QUWWOXLCWUZCFV-UHFFFAOYSA-N -1 0 336.413 2.209 20 30 EEEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)N1C[C@H](C)O[C@H](C(=O)[O-])C1 ZINC001591758969 975838072 /nfs/dbraw/zinc/83/80/72/975838072.db2.gz OQDFBHSTWFYSRN-NHYWBVRUSA-N -1 0 347.371 2.051 20 30 EEEDRM CC(C)c1ccc(NC(=O)C(=O)NCCCCC#N)c(C(=O)[O-])c1 ZINC001591960196 976541586 /nfs/dbraw/zinc/54/15/86/976541586.db2.gz QYDCIMJRHPHZPD-UHFFFAOYSA-N -1 0 331.372 2.257 20 30 EEEDRM C[C@@H](CC(=O)N1CCC(C#N)(C(=O)[O-])CC1)C(=O)c1ccccc1 ZINC001592227969 977427715 /nfs/dbraw/zinc/42/77/15/977427715.db2.gz WDIWNVLVDVZEFU-ZDUSSCGKSA-N -1 0 328.368 2.112 20 30 EEEDRM C[C@@](CC(=O)[O-])(NC(=O)CCc1ccc(C#N)cc1)c1ccncc1 ZINC001592283273 977594068 /nfs/dbraw/zinc/59/40/68/977594068.db2.gz YEHRPISXXBQUPR-IBGZPJMESA-N -1 0 337.379 2.392 20 30 EEEDRM C[C@@](COC(=O)CC1(C#N)CCOCC1)(C(=O)[O-])c1ccccc1 ZINC001592765417 979370956 /nfs/dbraw/zinc/37/09/56/979370956.db2.gz UJCYTXIBAVTEBW-KRWDZBQOSA-N -1 0 331.368 2.283 20 30 EEEDRM CC[C@](CNC(=O)c1cc(C#N)[nH]c1C)(C(=O)[O-])c1ccccc1 ZINC001595159026 979671136 /nfs/dbraw/zinc/67/11/36/979671136.db2.gz HRBWYJPLGJHEHI-GOSISDBHSA-N -1 0 325.368 2.357 20 30 EEEDRM CCCC(=O)NC1CCN(Cc2cccc(C(=O)[O-])c2C#N)CC1 ZINC001595527753 981359007 /nfs/dbraw/zinc/35/90/07/981359007.db2.gz QDXYSAORFYAKHJ-UHFFFAOYSA-N -1 0 329.400 2.137 20 30 EEEDRM CCCc1c(C(=O)OCC2(C#N)CCOCC2)[nH]c(C)c1C(=O)[O-] ZINC001596046575 983338842 /nfs/dbraw/zinc/33/88/42/983338842.db2.gz BQWWSNSKZHHGJC-UHFFFAOYSA-N -1 0 334.372 2.451 20 30 EEEDRM C#C[C@@H](NC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1)C1CCOCC1 ZINC001588374336 983343233 /nfs/dbraw/zinc/34/32/33/983343233.db2.gz UTJWGIFHIOADBI-CXAGYDPISA-N -1 0 344.411 2.500 20 30 EEEDRM C#C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])oc1CC)c1ccccc1 ZINC001588376032 983349347 /nfs/dbraw/zinc/34/93/47/983349347.db2.gz OYVIBABKWLZELB-GFCCVEGCSA-N -1 0 333.365 2.193 20 30 EEEDRM C#CC1(NC(=O)Nc2cc(C(=O)[O-])cc(C(=O)OC)c2)CCCC1 ZINC001588379415 983364247 /nfs/dbraw/zinc/36/42/47/983364247.db2.gz GXJTWZKXTGNDGL-UHFFFAOYSA-N -1 0 330.340 2.239 20 30 EEEDRM C#C[C@H]1COCCN1Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001588383548 983382103 /nfs/dbraw/zinc/38/21/03/983382103.db2.gz CTGDRJVYNPMWFN-HNNXBMFYSA-N -1 0 328.393 2.342 20 30 EEEDRM C#CC[C@H](NC(=O)CSc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001588405266 983421023 /nfs/dbraw/zinc/42/10/23/983421023.db2.gz LDGVPSBCUZWQEJ-NSHDSACASA-N -1 0 331.315 2.390 20 30 EEEDRM C#CCOc1ccccc1CNC(=O)c1ccc(C(=O)[O-])cc1F ZINC001588504507 983547851 /nfs/dbraw/zinc/54/78/51/983547851.db2.gz YUIPSMLBINSXHF-UHFFFAOYSA-N -1 0 327.311 2.466 20 30 EEEDRM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1Cc2ccc(C(=O)[O-])cc2C1 ZINC001588533868 983584647 /nfs/dbraw/zinc/58/46/47/983584647.db2.gz BDNULBLPCIAGGX-CJNGLKHVSA-N -1 0 330.384 2.391 20 30 EEEDRM C=C(C)C[C@@H](NC(=O)COc1ccc(CCC(C)=O)cc1)C(=O)[O-] ZINC001588543278 983611366 /nfs/dbraw/zinc/61/13/66/983611366.db2.gz ZREUTTFNGRRNPM-MRXNPFEDSA-N -1 0 333.384 2.123 20 30 EEEDRM C=C(C)C[C@H](NC(=O)c1nc(CC)n(-c2ccccc2F)n1)C(=O)[O-] ZINC001588549030 983626359 /nfs/dbraw/zinc/62/63/59/983626359.db2.gz WHWINHAXEXCGIS-LBPRGKRZSA-N -1 0 346.362 2.118 20 30 EEEDRM C=C(C)C[C@H](NS(=O)(=O)C[C@H]1CCCC(F)(F)C1)C(=O)[O-] ZINC001588553655 983628501 /nfs/dbraw/zinc/62/85/01/983628501.db2.gz PBRXMOXDKFLIMA-QWRGUYRKSA-N -1 0 325.377 2.151 20 30 EEEDRM C=C(C)CN(Cc1ccccc1)Cn1nc(C(=O)[O-])cc1C(=O)OC ZINC001588567112 983645959 /nfs/dbraw/zinc/64/59/59/983645959.db2.gz DILJZARFHNZDQA-UHFFFAOYSA-N -1 0 343.383 2.404 20 30 EEEDRM C=C(C)COc1cccc(NC(=O)N[C@]2(CC(=O)[O-])CCOC2)c1 ZINC001588573203 983651576 /nfs/dbraw/zinc/65/15/76/983651576.db2.gz BKTIVTXBOLNNPK-KRWDZBQOSA-N -1 0 334.372 2.397 20 30 EEEDRM C=C(C)Cc1cccc(C(=O)[O-])c1OCC(=O)N1CCO[C@H](C)C1 ZINC001588577162 983655772 /nfs/dbraw/zinc/65/57/72/983655772.db2.gz OATKVUWUQUMJFT-CYBMUJFWSA-N -1 0 333.384 2.130 20 30 EEEDRM C=C(C)Cn1c([C@H]2C[C@H]2C#N)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588590685 983670162 /nfs/dbraw/zinc/67/01/62/983670162.db2.gz AYUHQUYZLPZKQZ-FQUUOJAGSA-N -1 0 329.404 2.028 20 30 EEEDRM C=C(C)c1cccc(NC(=O)C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)c1 ZINC001588605148 983690911 /nfs/dbraw/zinc/69/09/11/983690911.db2.gz AIAJPHQMEMFJOK-TZMCWYRMSA-N -1 0 330.384 2.227 20 30 EEEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001588622160 983722250 /nfs/dbraw/zinc/72/22/50/983722250.db2.gz QHTLSVJHDJQGIA-CHWSQXEVSA-N -1 0 340.420 2.312 20 30 EEEDRM C=CC(C)(C)CC(=O)NC[C@@H](C)N(CC)c1ncc(C(=O)[O-])cn1 ZINC001588673312 983829381 /nfs/dbraw/zinc/82/93/81/983829381.db2.gz QLLVNTIXQQBBLV-GFCCVEGCSA-N -1 0 334.420 2.108 20 30 EEEDRM C=CC[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C1 ZINC001588772611 984144264 /nfs/dbraw/zinc/14/42/64/984144264.db2.gz JUMQJFKUGZTERK-CYBMUJFWSA-N -1 0 344.411 2.412 20 30 EEEDRM C=CCC[C@H](NC(=O)CC1(CC(=O)[O-])CCCC1)C(=O)OCC ZINC001588779006 984164197 /nfs/dbraw/zinc/16/41/97/984164197.db2.gz QEJFFJKYXXHNGT-ZDUSSCGKSA-N -1 0 325.405 2.426 20 30 EEEDRM C=CCCCC(=O)N1CC[C@@H](Nc2ncc(C(=O)[O-])cn2)[C@H](C)C1 ZINC001588781543 984167177 /nfs/dbraw/zinc/16/71/77/984167177.db2.gz BJGIPKLSJVIXOE-TZMCWYRMSA-N -1 0 332.404 2.180 20 30 EEEDRM C=CCCC[C@@H](NC(=O)c1cc(Cl)c(N)cc1OC)C(=O)[O-] ZINC001588792359 984208482 /nfs/dbraw/zinc/20/84/82/984208482.db2.gz DVEVELSOYIVRAN-GFCCVEGCSA-N -1 0 326.780 2.470 20 30 EEEDRM C=CCCC[C@H](NS(=O)(=O)c1ccc2c(c1)C[C@H](C)O2)C(=O)[O-] ZINC001588798430 984235955 /nfs/dbraw/zinc/23/59/55/984235955.db2.gz FJOIGMQZUGGTBC-FZMZJTMJSA-N 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/nfs/dbraw/zinc/51/08/48/984510848.db2.gz RJJGXJJFVGBAJO-LSDHHAIUSA-N -1 0 347.463 2.312 20 30 EEEDRM C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H]1CCCc2ccc(C(=O)[O-])cc21 ZINC001588920336 984577684 /nfs/dbraw/zinc/57/76/84/984577684.db2.gz XFZPRKRYXVNQJP-OIISXLGYSA-N -1 0 344.411 2.447 20 30 EEEDRM CC(=NNc1ccccc1OC(F)(F)F)c1cn(CC(=O)[O-])nn1 ZINC001589017328 985002823 /nfs/dbraw/zinc/00/28/23/985002823.db2.gz JCQTUUOJNMFROE-UHFFFAOYSA-N -1 0 343.265 2.097 20 30 EEEDRM Cc1c(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)cnn1CCC#N ZINC001599976869 986105212 /nfs/dbraw/zinc/10/52/12/986105212.db2.gz INYJRVQNXCZMJR-UHFFFAOYSA-N -1 0 338.367 2.002 20 30 EEEDRM CCOc1ccc(C#N)cc1NC(=O)N1CCSC[C@H](C(=O)[O-])C1 ZINC001597055794 986535114 /nfs/dbraw/zinc/53/51/14/986535114.db2.gz JWUVMMKBDINDDH-GFCCVEGCSA-N -1 0 349.412 2.238 20 30 EEEDRM CC[C@@H](C#N)C(=O)N[C@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC001594722494 987213501 /nfs/dbraw/zinc/21/35/01/987213501.db2.gz QEHPQCJMEMSUMM-KWQFWETISA-N -1 0 330.262 2.377 20 30 EEEDRM 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CS(=O)(=O)[N-]C(=O)Cc1ccc(Nc2ccc(F)c(C#N)c2)cc1 ZINC001176618261 798505720 /nfs/dbraw/zinc/50/57/20/798505720.db2.gz LDUSWLIDGJZLLH-UHFFFAOYSA-N -1 0 347.371 2.059 20 30 EEEDRM Cc1csc(C(C#N)=C([O-])COC(=O)[C@@H](C)c2c(C)n[nH]c2C)n1 ZINC000786328022 806754598 /nfs/dbraw/zinc/75/45/98/806754598.db2.gz VTIKVTDZDXWQHI-JOYOIKCWSA-N -1 0 346.412 2.315 20 30 EEEDRM CCn1cc(C([O-])=C(C#N)C(=O)NCc2cccc(Cl)c2)cn1 ZINC000786530983 806795449 /nfs/dbraw/zinc/79/54/49/806795449.db2.gz LWRKSEBCHYWWBI-AWEZNQCLSA-N -1 0 330.775 2.195 20 30 EEEDRM Cc1ncsc1C([O-])=C(C#N)C(=O)NCc1ccc(F)cc1F ZINC000786555319 806809958 /nfs/dbraw/zinc/80/99/58/806809958.db2.gz SXIXOZSHYKHQSQ-NSHDSACASA-N -1 0 335.335 2.369 20 30 EEEDRM CC(C)(NC(=O)C(F)(F)C(F)(F)C(=O)[O-])c1ccc(C#N)cc1 ZINC001180175646 800285920 /nfs/dbraw/zinc/28/59/20/800285920.db2.gz BNUHLJGGRKJDBQ-UHFFFAOYSA-N -1 0 332.253 2.265 20 30 EEEDRM N#CC1(NC(=O)C[C@H]([N-]C(=O)C(F)(F)F)c2ccccc2)CCC1 ZINC001181013613 800635353 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C=C[C@H]1CCCCN1C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000787680350 807189361 /nfs/dbraw/zinc/18/93/61/807189361.db2.gz DUZNXAGOQCNBDD-LBPRGKRZSA-N -1 0 329.425 2.403 20 30 EEEDRM CC(=NNC(=S)NCC(F)(F)F)c1cc(C(=O)[O-])ccc1C ZINC000788426115 807511393 /nfs/dbraw/zinc/51/13/93/807511393.db2.gz XOHQCJKDTPTNPC-UHFFFAOYSA-N -1 0 333.335 2.444 20 30 EEEDRM CCOC1CC(CC(=O)OCC([O-])=C(C#N)c2nc(C)cs2)C1 ZINC000789152724 807859993 /nfs/dbraw/zinc/85/99/93/807859993.db2.gz QOKGQMYTQBEFML-WXRRBKDZSA-N -1 0 336.413 2.376 20 30 EEEDRM CC(C)CCN(CCC#N)C(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C ZINC000789931387 808267515 /nfs/dbraw/zinc/26/75/15/808267515.db2.gz XBMLMWBMCFYVOJ-LBPRGKRZSA-N -1 0 335.370 2.478 20 30 EEEDRM N#CC(C(=O)NCc1ccccc1)=C([O-])c1ccc(-c2nc[nH]n2)cc1 ZINC000793125352 810138361 /nfs/dbraw/zinc/13/83/61/810138361.db2.gz OYTUETPTVLKYGQ-INIZCTEOSA-N -1 0 345.362 2.111 20 30 EEEDRM Cc1cc(CCCC(=O)[N-]S(=O)(=O)CC2(C#N)CC2)c(C)s1 ZINC000793201576 810167362 /nfs/dbraw/zinc/16/73/62/810167362.db2.gz 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ZINC001588442742 958347465 /nfs/dbraw/zinc/34/74/65/958347465.db2.gz JYZYDRGIWOMDFU-MELADBBJSA-N -1 0 334.420 2.253 20 30 EEEDRM C=C(C)Cn1c(-c2ccccn2)nnc1N1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC001588443681 958355599 /nfs/dbraw/zinc/35/55/99/958355599.db2.gz VWJBLQXYWDXNPV-UONOGXRCSA-N -1 0 341.415 2.463 20 30 EEEDRM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC001588457095 958443047 /nfs/dbraw/zinc/44/30/47/958443047.db2.gz JJFGHHDOQOBLGK-HNNXBMFYSA-N -1 0 331.368 2.290 20 30 EEEDRM C#CCN(CC(=O)[O-])C(=O)[C@H](CC)c1ccc(Br)cc1 ZINC001573317877 958456286 /nfs/dbraw/zinc/45/62/86/958456286.db2.gz HJNIUYCMLCJSIN-CYBMUJFWSA-N -1 0 338.201 2.489 20 30 EEEDRM N#Cc1csc(CNC(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)n1 ZINC001574493350 961718882 /nfs/dbraw/zinc/71/88/82/961718882.db2.gz KZCFPYRYEFUAAP-STQMWFEESA-N -1 0 342.380 2.127 20 30 EEEDRM N#Cc1c(F)cc(C(=O)N[C@@H](CC(=O)[O-])c2ccncc2)cc1F ZINC001571195763 962305311 /nfs/dbraw/zinc/30/53/11/962305311.db2.gz LBBNWDFVSVQQOV-AWEZNQCLSA-N -1 0 331.278 2.177 20 30 EEEDRM C#CC[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)[O-] ZINC001573304205 962686453 /nfs/dbraw/zinc/68/64/53/962686453.db2.gz ZRNBCMMBAUTYJM-MRXNPFEDSA-N -1 0 336.347 2.145 20 30 EEEDRM COc1cc(C#N)ccc1OC(=O)c1cccc(OCC(=O)[O-])c1 ZINC001574177118 962792534 /nfs/dbraw/zinc/79/25/34/962792534.db2.gz JXJMDZPSCPUNRD-UHFFFAOYSA-N -1 0 327.292 2.249 20 30 EEEDRM C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](CC)C(=O)[O-] ZINC001573338856 962881478 /nfs/dbraw/zinc/88/14/78/962881478.db2.gz JRBNCFQZDGYGCE-WDEREUQCSA-N -1 0 348.827 2.249 20 30 EEEDRM C=CC[C@H](C(=O)[O-])[NH+]1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC001573350628 962971014 /nfs/dbraw/zinc/97/10/14/962971014.db2.gz KUBHJMIIZPLDNX-CQSZACIVSA-N -1 0 340.782 2.266 20 30 EEEDRM C=CCC(C)(C)CNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1OC ZINC001573351740 962981547 /nfs/dbraw/zinc/98/15/47/962981547.db2.gz XPXVIPOZSUXCSH-UHFFFAOYSA-N -1 0 345.392 2.413 20 30 EEEDRM C=CC[C@@H](N[C@H](Cc1ccccc1Cl)C(=O)OCC)C(=O)[O-] ZINC001573353460 963002682 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C=CCCC[C@@H](NC(=O)c1cn(CC)nc1C(F)(F)F)C(=O)[O-] ZINC000910916218 787121739 /nfs/dbraw/zinc/12/17/39/787121739.db2.gz FVMFMCGWPGAVJZ-SNVBAGLBSA-N -1 0 333.310 2.461 20 30 EEEDRM C=CCCC[C@@H](NC(=O)c1cccc(CN2CCOCC2)c1)C(=O)[O-] ZINC000910917492 787122511 /nfs/dbraw/zinc/12/25/11/787122511.db2.gz RGCXEEBONXIGSC-QGZVFWFLSA-N -1 0 346.427 2.058 20 30 EEEDRM C=CCCC[C@H](NC(=O)Cc1ccccc1O[C@@H]1CCOC1)C(=O)[O-] ZINC000910926973 787128933 /nfs/dbraw/zinc/12/89/33/787128933.db2.gz WFAWLDZOQCBQOA-CVEARBPZSA-N -1 0 347.411 2.323 20 30 EEEDRM CC[C@@H](C)C[C@H](NS(=O)(=O)Cc1ccc(F)cc1C#N)C(=O)[O-] ZINC000844788073 789374833 /nfs/dbraw/zinc/37/48/33/789374833.db2.gz GDSUDKIYPFBLIV-YGRLFVJLSA-N -1 0 342.392 2.006 20 30 EEEDRM C#CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)c(F)c1 ZINC000057119021 789551908 /nfs/dbraw/zinc/55/19/08/789551908.db2.gz IRTLRGUHFCPDAH-UHFFFAOYSA-N -1 0 346.383 2.298 20 30 EEEDRM C=CCN(CC(=O)[O-])C(=O)NCCc1ccc(Br)s1 ZINC000226332724 790025352 /nfs/dbraw/zinc/02/53/52/790025352.db2.gz 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EEEDRM Cc1nnc(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)o3)cc2)o1 ZINC000808093636 812453677 /nfs/dbraw/zinc/45/36/77/812453677.db2.gz RGEDXQBHYRWVRI-UHFFFAOYSA-N -1 0 330.325 2.311 20 30 EEEDRM C=CC(C)(C)CCNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001602717238 971365466 /nfs/dbraw/zinc/36/54/66/971365466.db2.gz FNAOUOCLWMLQTB-HNNXBMFYSA-N -1 0 329.400 2.424 20 30 EEEDRM CCCc1c(NC(=O)N[C@H](C)C(=O)[O-])cnn1-c1cccc(C#N)c1 ZINC001589689272 950107337 /nfs/dbraw/zinc/10/73/37/950107337.db2.gz ZSIPCGRXHHLBDI-LLVKDONJSA-N -1 0 341.371 2.291 20 30 EEEDRM CCOc1ccc2c(c1)[C@H](NC(=O)[C@@](C)(C#N)CC(=O)[O-])CCO2 ZINC001592815765 951368144 /nfs/dbraw/zinc/36/81/44/951368144.db2.gz MIGMUUATWWEULY-CXAGYDPISA-N -1 0 332.356 2.030 20 30 EEEDRM CC[C@H](C)[C@H](NC(=O)Nc1cc(C#N)ccc1OCCOC)C(=O)[O-] ZINC001593610056 953462232 /nfs/dbraw/zinc/46/22/32/953462232.db2.gz YUTXYGAAJYABQY-NHYWBVRUSA-N -1 0 349.387 2.204 20 30 EEEDRM C[C@@H](CC(=O)[O-])NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC001589001995 955334985 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C#C[C@H](NC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001588388624 957996623 /nfs/dbraw/zinc/99/66/23/957996623.db2.gz VYFPQYWXTGBGPD-YUELXQCFSA-N -1 0 335.787 2.400 20 30 EEEDRM C#CCN(CC(=O)[O-])C(=O)[C@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001588397390 958055736 /nfs/dbraw/zinc/05/57/36/958055736.db2.gz GRUKKYPJGRIKMA-LLVKDONJSA-N -1 0 343.301 2.310 20 30 EEEDRM C#Cc1cncc(C(=O)Nc2sc3c(c2C(=O)[O-])CCOC3)c1 ZINC001588440156 958328477 /nfs/dbraw/zinc/32/84/77/958328477.db2.gz ZPXPSXWCCNPHTF-UHFFFAOYSA-N -1 0 328.349 2.148 20 30 EEEDRM C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC001588443814 958357225 /nfs/dbraw/zinc/35/72/25/958357225.db2.gz XJQWYROKTIYJGP-UKRRQHHQSA-N -1 0 341.415 2.463 20 30 EEEDRM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cccc(OCC(=O)[O-])c1 ZINC001588457161 958444739 /nfs/dbraw/zinc/44/47/39/958444739.db2.gz NQZXZORKRBVVDH-HNNXBMFYSA-N -1 0 331.368 2.290 20 30 EEEDRM C#CCN(CC(=O)[O-])C(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC001573318299 958462818 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20 30 EEEDRM C[C@@H]1CC[C@H](C(=O)[O-])N1C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC001594218208 959349280 /nfs/dbraw/zinc/34/92/80/959349280.db2.gz IFCXQWRDSJGZRX-GMSGAONNSA-N -1 0 327.262 2.050 20 30 EEEDRM C[C@@H](C#N)N(C)S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC001192427130 960558645 /nfs/dbraw/zinc/55/86/45/960558645.db2.gz LCBKVUYUTINDDV-LURJTMIESA-N -1 0 337.184 2.224 20 30 EEEDRM CCC(CC)(C(=O)[O-])C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC001573778016 960709488 /nfs/dbraw/zinc/70/94/88/960709488.db2.gz OMZHMUTUROHRKB-MRXNPFEDSA-N -1 0 343.427 2.114 20 30 EEEDRM CC[C@H](CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)C(=O)[O-] ZINC001573800735 960823709 /nfs/dbraw/zinc/82/37/09/960823709.db2.gz WDTDXQUUSHTWCC-CQSZACIVSA-N -1 0 345.399 2.222 20 30 EEEDRM C[C@H](CC#N)Sc1ccccc1NC(=O)c1cn(CC(=O)[O-])nn1 ZINC001588989544 962800195 /nfs/dbraw/zinc/80/01/95/962800195.db2.gz PETPHQKLVZVLRC-SNVBAGLBSA-N -1 0 345.384 2.009 20 30 EEEDRM C=C(C)Cn1c([C@H](C)[C@@H](O)CC)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001588442404 964057161 /nfs/dbraw/zinc/05/71/61/964057161.db2.gz HZQDGAGXXQEXRR-IGCXYCKISA-N -1 0 336.436 2.030 20 30 EEEDRM C=C(C)Cn1c([C@H](C)C(C)(C)O)nnc1N1CC[C@@](C)(C(=O)[O-])C1 ZINC001588443565 964061617 /nfs/dbraw/zinc/06/16/17/964061617.db2.gz TZDQVQWDXNMGID-YVEFUNNKSA-N -1 0 336.436 2.030 20 30 EEEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC001609693049 970453744 /nfs/dbraw/zinc/45/37/44/970453744.db2.gz QSBKBLDVQUAXKD-AVZKPZGTSA-N -1 0 326.274 2.081 20 30 EEEDRM CN(Cc1cc(C#N)cs1)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC001604181096 972606546 /nfs/dbraw/zinc/60/65/46/972606546.db2.gz FDUBMBGNVDVWTE-UHFFFAOYSA-N -1 0 347.400 2.300 20 30 EEEDRM COC(=O)C1CC2(C1)CN(c1cc(C)cc(F)c1C#N)C[C@H]2C(=O)[O-] ZINC001604291244 972901048 /nfs/dbraw/zinc/90/10/48/972901048.db2.gz XSXWKLBVNFHVMJ-HLZQHVJHSA-N -1 0 346.358 2.096 20 30 EEEDRM N#C[C@H](NC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC001605576039 973843217 /nfs/dbraw/zinc/84/32/17/973843217.db2.gz 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342.321 2.309 20 30 EEEDRM COc1cc(C(=O)[O-])ccc1NN=Cc1cnc2c(c1)c(C)nn2C ZINC000756900699 577852846 /nfs/dbraw/zinc/85/28/46/577852846.db2.gz ACWIUGRARRPNRH-UHFFFAOYSA-N -1 0 339.355 2.430 20 30 EEEDRM COc1ccc(C([O-])=C(C#N)C(=O)NCCCOC(C)C)c(C)c1 ZINC000744023731 577892177 /nfs/dbraw/zinc/89/21/77/577892177.db2.gz MAOIISXARRWLOV-INIZCTEOSA-N -1 0 332.400 2.257 20 30 EEEDRM Cc1csc(C(C#N)=C([O-])COC(=O)c2cccc3c[nH]nc32)n1 ZINC000746952320 577936804 /nfs/dbraw/zinc/93/68/04/577936804.db2.gz RXSRKCAHTDLPPA-LBPRGKRZSA-N -1 0 340.364 2.361 20 30 EEEDRM Cc1csc(C(C#N)=C([O-])COC(=O)Cc2ccc(C#N)cc2)n1 ZINC000750243549 577989238 /nfs/dbraw/zinc/98/92/38/577989238.db2.gz ZCNFQDZSBIYBIW-AWEZNQCLSA-N -1 0 339.376 2.285 20 30 EEEDRM Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@H]2C(=O)[O-])c1C ZINC000738726357 578025166 /nfs/dbraw/zinc/02/51/66/578025166.db2.gz XJVXKAJOXNSNKF-INIZCTEOSA-N -1 0 329.400 2.099 20 30 EEEDRM Cc1nn(CCC(=O)[O-])c(C)c1C=NNCc1ccc(F)cc1F ZINC000738923522 578031210 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CN(Cc1cc(Br)cs1)C(=O)[C@](C)(C#N)CC(=O)[O-] ZINC000820597104 598224285 /nfs/dbraw/zinc/22/42/85/598224285.db2.gz DRSWMRYZVOMGHT-LBPRGKRZSA-N -1 0 345.218 2.474 20 30 EEEDRM COc1ccc(OC2CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC2)cc1 ZINC000820849420 598224479 /nfs/dbraw/zinc/22/44/79/598224479.db2.gz GGWVMUBYTYPSMK-GOSISDBHSA-N -1 0 346.383 2.070 20 30 EEEDRM C[C@](C#N)(CC(=O)[O-])C(=O)NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000819834263 598225286 /nfs/dbraw/zinc/22/52/86/598225286.db2.gz MHUQFPDNMCXJIE-QILLFSRXSA-N -1 0 330.384 2.275 20 30 EEEDRM C=CCN(CC(F)(F)F)S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000825682244 600728781 /nfs/dbraw/zinc/72/87/81/600728781.db2.gz UWPZNSFLWZFPNU-UHFFFAOYSA-N -1 0 337.319 2.432 20 30 EEEDRM C=CC1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CC1 ZINC000825660143 600890334 /nfs/dbraw/zinc/89/03/34/600890334.db2.gz VXGUNEQNRCSYHX-UHFFFAOYSA-N -1 0 344.411 2.412 20 30 EEEDRM O=C([O-])c1ccsc1N1CC[C@@H](/N=C/c2cccc(O)c2O)C1=O ZINC000833336110 601177966 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COc1ccccc1NCC(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000832628966 601353793 /nfs/dbraw/zinc/35/37/93/601353793.db2.gz ZLAJFMVEDJYBMN-QGZVFWFLSA-N -1 0 340.335 2.348 20 30 EEEDRM CC1=C(C(=O)[O-])[C@@H](c2cc(C#N)cs2)NC(=O)N1C[C@@H]1CCCO1 ZINC000828136590 601376410 /nfs/dbraw/zinc/37/64/10/601376410.db2.gz WPFADZATMINDSA-SMDDNHRTSA-N -1 0 347.396 2.224 20 30 EEEDRM CC[C@](C)(CC(=O)[O-])NC(=O)CCc1c(C)nn(CCC#N)c1C ZINC000828623186 601468360 /nfs/dbraw/zinc/46/83/60/601468360.db2.gz JMPBDURQLWTHNF-QGZVFWFLSA-N -1 0 334.420 2.106 20 30 EEEDRM C[C@@H](C(=O)[O-])[C@@H](NC(=O)Nc1ccn(CCC#N)n1)c1ccccc1 ZINC000826039474 601625650 /nfs/dbraw/zinc/62/56/50/601625650.db2.gz UCCQYAYFTULFDP-IUODEOHRSA-N -1 0 341.371 2.380 20 30 EEEDRM N#Cc1ccc([C@@H](OC(=O)Cc2c[nH]c3ncccc23)C(=O)[O-])cc1 ZINC000833072861 601749417 /nfs/dbraw/zinc/74/94/17/601749417.db2.gz RJTYQUXSSXDMRX-MRXNPFEDSA-N -1 0 335.319 2.346 20 30 EEEDRM CSc1nc(C2CC2)cc(C(=O)N2C[C@H](C)[C@H](C(=O)[O-])C2)c1C#N ZINC000832794161 601756537 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C#Cc1ccccc1CC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F ZINC001588524172 983574191 /nfs/dbraw/zinc/57/41/91/983574191.db2.gz BKTZSKVIEMYSCH-QGZVFWFLSA-N -1 0 329.302 2.431 20 30 EEEDRM C=C(C)Cn1c(-c2c(C)n[nH]c2C)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001588577391 983656244 /nfs/dbraw/zinc/65/62/44/983656244.db2.gz UXYCGAWEOJCIJV-KRWDZBQOSA-N -1 0 344.419 2.162 20 30 EEEDRM C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC001588578546 983659092 /nfs/dbraw/zinc/65/90/92/983659092.db2.gz LPMOCPDASSGXLX-DZGCQCFKSA-N -1 0 341.415 2.463 20 30 EEEDRM C=C(C)Cn1c([C@@H]2C[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C(=O)[O-])C1 ZINC001588591973 983675183 /nfs/dbraw/zinc/67/51/83/983675183.db2.gz PDABJANZYUTIBZ-MGPQQGTHSA-N -1 0 348.447 2.294 20 30 EEEDRM C=C(CCC(=O)[O-])C(=O)N1CCC[C@@H](C(=O)NCCCCCC)C1 ZINC001588614259 983706886 /nfs/dbraw/zinc/70/68/86/983706886.db2.gz PLCUEXIZXFYWQF-OAHLLOKOSA-N -1 0 338.448 2.343 20 30 EEEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C ZINC001588630595 983744970 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EEEDRM C=CCC[C@@H](NC(=O)c1ccsc1CC(=O)[O-])C(=O)OCC ZINC001588779060 984164731 /nfs/dbraw/zinc/16/47/31/984164731.db2.gz RSGGTFRERTVZBJ-LLVKDONJSA-N -1 0 325.386 2.003 20 30 EEEDRM C=CCCC[C@@H](NC(=O)c1ccc2[nH]c(=O)n(CC)c2c1)C(=O)[O-] ZINC001588793647 984220638 /nfs/dbraw/zinc/22/06/38/984220638.db2.gz VVDKLPGANJKMEN-CYBMUJFWSA-N -1 0 331.372 2.301 20 30 EEEDRM C=CCCn1cc(COC(=O)C23CCC(C(=O)[O-])(CC2)CC3)nn1 ZINC001588820265 984283494 /nfs/dbraw/zinc/28/34/94/984283494.db2.gz YNGNLFFTHVDGAB-UHFFFAOYSA-N -1 0 333.388 2.323 20 30 EEEDRM C=CCOc1ccc(C(=O)Nc2c(C(=O)[O-])c[nH]c2C(=O)OC)cc1 ZINC001588874549 984448419 /nfs/dbraw/zinc/44/84/19/984448419.db2.gz AXGWDPACUUXFNO-UHFFFAOYSA-N -1 0 344.323 2.317 20 30 EEEDRM C=CCc1cc([C@H]2NC(=O)N(C)C(C)=C2C(=O)[O-])cc(OC)c1O ZINC001588885514 984468227 /nfs/dbraw/zinc/46/82/27/984468227.db2.gz OFUINGNYGARLBM-CQSZACIVSA-N -1 0 332.356 2.184 20 30 EEEDRM C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@](C)(C(=O)[O-])C1 ZINC001588889154 984478448 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CC[C@H](C#N)C(=O)NCc1ccc(C(=O)[O-])cc1Br ZINC001594721724 987205173 /nfs/dbraw/zinc/20/51/73/987205173.db2.gz AMKCJALPVCYDDE-MRVPVSSYSA-N -1 0 325.162 2.313 20 30 EEEDRM CCc1cc(C(=O)[O-])c(NC(=O)C(=O)N[C@H]2CC[C@@H](CC#N)C2)s1 ZINC001597440608 987799259 /nfs/dbraw/zinc/79/92/59/987799259.db2.gz HAPHUQAXNLNLST-UWVGGRQHSA-N -1 0 349.412 2.146 20 30 EEEDRM CSc1ccccc1NC(=O)[C@@H](C)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001599825242 988588383 /nfs/dbraw/zinc/58/83/83/988588383.db2.gz NUXOUKMSBADTRJ-GFCCVEGCSA-N -1 0 347.440 2.426 20 30 EEEDRM CC(C)(C)OC(=O)N[C@@](C)(COC(=O)c1cccc(C#N)c1)C(=O)[O-] ZINC001590113980 989300628 /nfs/dbraw/zinc/30/06/28/989300628.db2.gz YFUQKUYKQNFPPM-KRWDZBQOSA-N -1 0 348.355 2.083 20 30 EEEDRM CN(C)C(=O)c1ccc(C(=O)/C=C/c2cc(C(=O)[O-])n(C)c2)cc1 ZINC001598151006 990628893 /nfs/dbraw/zinc/62/88/93/990628893.db2.gz NRHPNSSUKSQGDC-RUDMXATFSA-N -1 0 326.352 2.321 20 30 EEEDRM CC(C)[C@@](C)(C#N)NC(=O)CNc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC001590961492 991059568 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C[C@@H](NC(=O)c1cc(O)cc(C#N)c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593156158 993972411 /nfs/dbraw/zinc/97/24/11/993972411.db2.gz PJPNDJOBZRRTLV-SJKOYZFVSA-N -1 0 338.363 2.326 20 30 EEEDRM C[C@@H](OC(=O)C(C)(C)CC(=O)[O-])C(=O)N(CCC#N)c1ccccc1 ZINC001593481480 995428779 /nfs/dbraw/zinc/42/87/79/995428779.db2.gz KRUXGJDBSKGTDS-CYBMUJFWSA-N -1 0 346.383 2.366 20 30 EEEDRM C[C@H](Oc1ccccc1C#N)C(=O)N(C1CC1)C1(C(=O)[O-])CCC1 ZINC001593641535 995952880 /nfs/dbraw/zinc/95/28/80/995952880.db2.gz PBGRGZWXSDKHKL-LBPRGKRZSA-N -1 0 328.368 2.324 20 30 EEEDRM C[C@H](c1cccc(C#N)c1)N1C(=O)NC2(CCC(C(=O)[O-])CC2)C1=O ZINC001593698440 996164533 /nfs/dbraw/zinc/16/45/33/996164533.db2.gz KNFBKRLBTRUWQB-YCTMXLSVSA-N -1 0 341.367 2.185 20 30 EEEDRM COC(=O)c1ccc(Cl)c(CN2CCC(C#N)(C(=O)[O-])CC2)c1 ZINC001598976233 998603256 /nfs/dbraw/zinc/60/32/56/998603256.db2.gz SHMQNOCDTKIRCA-UHFFFAOYSA-N -1 0 336.775 2.317 20 30 EEEDRM N#Cc1cccc([C@@H]2CN(S(=O)(=O)c3ccccc3[O-])CCO2)c1 ZINC001475160741 1110607743 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C#C[C@@H](CCC)NC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O ZINC000491772280 246145334 /nfs/dbraw/zinc/14/53/34/246145334.db2.gz UEHVETIYVJZWIN-LBPRGKRZSA-N -1 0 329.425 2.237 20 30 EEEDRM COCCOc1ccccc1[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435483776 269742326 /nfs/dbraw/zinc/74/23/26/269742326.db2.gz MQFGUMFGLWOFRR-UHFFFAOYSA-N -1 0 338.410 2.446 20 30 EEEDRM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N(C)Cc1ccc(C#N)cc1 ZINC000107885787 159337901 /nfs/dbraw/zinc/33/79/01/159337901.db2.gz VWPFNSPHAQCLMC-UHFFFAOYSA-N -1 0 344.392 2.386 20 30 EEEDRM COc1cc(C#N)ccc1S(=O)(=O)[N-]c1n[nH]c2cccc(F)c21 ZINC000185624072 160042847 /nfs/dbraw/zinc/04/28/47/160042847.db2.gz XMYUWZCOOAUGBX-UHFFFAOYSA-N -1 0 346.343 2.383 20 30 EEEDRM Cc1ccccc1-c1nnc([N-]S(=O)(=O)c2ccc(C#N)o2)o1 ZINC000342589657 161076098 /nfs/dbraw/zinc/07/60/98/161076098.db2.gz QXALUWZBICUFBP-UHFFFAOYSA-N -1 0 330.325 2.311 20 30 EEEDRM CSc1[n-]c(=O)c(C(=O)N[C@H]2COc3ccc(F)cc32)cc1C#N ZINC000345002548 161263340 /nfs/dbraw/zinc/26/33/40/161263340.db2.gz 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EEEDRM C=C(C)C[C@@H](NC(=O)c1ccc(OCc2noc(C)n2)cc1)C(=O)[O-] ZINC001588546276 983614806 /nfs/dbraw/zinc/61/48/06/983614806.db2.gz DDLOASBWNDWDPW-CQSZACIVSA-N -1 0 345.355 2.106 20 30 EEEDRM C=C(C)C[C@@H](NC(C)=O)C(=O)OCc1c(F)cc(C(=O)[O-])cc1F ZINC001588546758 983616603 /nfs/dbraw/zinc/61/66/03/983616603.db2.gz CITQAYWIFFZZRJ-CQSZACIVSA-N -1 0 341.310 2.177 20 30 EEEDRM C=C(C)C[C@H](NC(=O)c1nn(-c2ccccc2)cc1OC)C(=O)[O-] ZINC001588548155 983623199 /nfs/dbraw/zinc/62/31/99/983623199.db2.gz QXUSVBOHEGEQNM-ZDUSSCGKSA-N -1 0 329.356 2.030 20 30 EEEDRM C=C(C)Cn1c([C@@H](C)SC)nnc1N1CC[C@@](F)(C(=O)[O-])C1 ZINC001588590144 983669737 /nfs/dbraw/zinc/66/97/37/983669737.db2.gz ZSSFHSQLQBXBSR-YGRLFVJLSA-N -1 0 328.413 2.281 20 30 EEEDRM C=C(C)Cn1c(CCCC#N)nnc1N1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001588598201 983682345 /nfs/dbraw/zinc/68/23/45/983682345.db2.gz VHCPNADJHQBGRZ-GUYCJALGSA-N -1 0 331.420 2.247 20 30 EEEDRM C=C(CCC(=O)[O-])C(=O)N[C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC001588618811 983712958 /nfs/dbraw/zinc/71/29/58/983712958.db2.gz AQIRPYGMESVMGF-NSHDSACASA-N -1 0 337.372 2.311 20 30 EEEDRM C=C(CCC(=O)[O-])C(=O)NC(C)(C)CCNC(=O)OC(C)(C)C ZINC001588619068 983714627 /nfs/dbraw/zinc/71/46/27/983714627.db2.gz JYHQIBVFZJAXOF-UHFFFAOYSA-N -1 0 328.409 2.217 20 30 EEEDRM C=C(Cl)C[C@H](NC(=O)c1cccc(CC(=O)[O-])c1)C(=O)OCC ZINC001588641595 983762798 /nfs/dbraw/zinc/76/27/98/983762798.db2.gz FOEZGMOGWWKOMJ-ZDUSSCGKSA-N -1 0 339.775 2.118 20 30 EEEDRM C=C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(C(=O)[O-])oc1CC ZINC001588644245 983768752 /nfs/dbraw/zinc/76/87/52/983768752.db2.gz KNZVLWVTZFNHHJ-PHIMTYICSA-N -1 0 325.386 2.412 20 30 EEEDRM C=C1CCC(CNC(=O)C(=O)Nc2cccc(C(=O)[O-])c2OC)CC1 ZINC001588650076 983772105 /nfs/dbraw/zinc/77/21/05/983772105.db2.gz WPLBGSRAJVAIDM-UHFFFAOYSA-N -1 0 346.383 2.195 20 30 EEEDRM C=C[C@](C)(CC)C(=O)NCC1CC(Nc2ncc(C(=O)[O-])cn2)C1 ZINC001588683326 983847143 /nfs/dbraw/zinc/84/71/43/983847143.db2.gz WQXOOZSRDCTNNA-FWXSHLFISA-N -1 0 332.404 2.084 20 30 EEEDRM C=C[C@@H](N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)C(=O)[O-] ZINC001588696764 983904152 /nfs/dbraw/zinc/90/41/52/983904152.db2.gz QWMQLCHJCAJCOV-NEPJUHHUSA-N -1 0 329.183 2.328 20 30 EEEDRM C=CCC(F)(F)C(=O)O[C@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001588742704 984034100 /nfs/dbraw/zinc/03/41/00/984034100.db2.gz JHVKGDBHADHKRJ-SNVBAGLBSA-N -1 0 341.310 2.144 20 30 EEEDRM C=CC[C@H](NC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1)C(=O)OCC ZINC001588743395 984037362 /nfs/dbraw/zinc/03/73/62/984037362.db2.gz WJBDWKLGYNKGEZ-AWEZNQCLSA-N -1 0 349.383 2.004 20 30 EEEDRM C=CC[C@@H](OC(=O)c1ccc2c(c1)[nH]c(=O)n2CC1CC1)C(=O)[O-] ZINC001588756685 984098806 /nfs/dbraw/zinc/09/88/06/984098806.db2.gz MKJAEQCTVDKNAB-CQSZACIVSA-N -1 0 330.340 2.338 20 30 EEEDRM C=CCC[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC001588782687 984174097 /nfs/dbraw/zinc/17/40/97/984174097.db2.gz ZBUQNHOHJNWWLI-CQSZACIVSA-N -1 0 346.383 2.046 20 30 EEEDRM C=CCCCCCCCNC(=O)N1C[C@H](C(=O)[O-])[C@H](C(=O)OC)C1 ZINC001588798317 984234795 /nfs/dbraw/zinc/23/47/95/984234795.db2.gz ATFALSNAGZQPTM-UONOGXRCSA-N -1 0 340.420 2.028 20 30 EEEDRM C=CCCC[C@@H](NS(=O)(=O)c1ccc2c(c1)C[C@H](C)O2)C(=O)[O-] ZINC001588798432 984236074 /nfs/dbraw/zinc/23/60/74/984236074.db2.gz FJOIGMQZUGGTBC-SMDDNHRTSA-N -1 0 339.413 2.098 20 30 EEEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H](F)C(=O)[O-])cc1 ZINC001588825171 984299062 /nfs/dbraw/zinc/29/90/62/984299062.db2.gz DRGIJSDHRCZPBP-AWEZNQCLSA-N -1 0 349.362 2.045 20 30 EEEDRM C=CCOC[C@H](NC(=O)Cc1sc(C2CCC2)nc1C)C(=O)[O-] ZINC001588857414 984403035 /nfs/dbraw/zinc/40/30/35/984403035.db2.gz YCLBQKOZPVYOPO-LBPRGKRZSA-N -1 0 338.429 2.034 20 30 EEEDRM C=CCOC[C@H](NC(=O)c1cc(-c2ccc(C)c(C)c2)n[nH]1)C(=O)[O-] ZINC001588859831 984408604 /nfs/dbraw/zinc/40/86/04/984408604.db2.gz YMRRKWCVSSRWOZ-INIZCTEOSA-N -1 0 343.383 2.079 20 30 EEEDRM C=CCOC[C@@H](NC(=O)c1scc(Br)c1C)C(=O)[O-] ZINC001588860363 984412672 /nfs/dbraw/zinc/41/26/72/984412672.db2.gz RXUBFKNZBWMFHC-SECBINFHSA-N -1 0 348.218 2.205 20 30 EEEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)Cc1ccn(CC)n1 ZINC001588884894 984464547 /nfs/dbraw/zinc/46/45/47/984464547.db2.gz GQXWFLGVPTUWOD-UHFFFAOYSA-N -1 0 344.367 2.486 20 30 EEEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)Cc1cnn(CC)c1 ZINC001588885011 984465029 /nfs/dbraw/zinc/46/50/29/984465029.db2.gz JEOPRGKFDKPBOD-UHFFFAOYSA-N -1 0 344.367 2.486 20 30 EEEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1cnn(C)c1OC ZINC001588885437 984467597 /nfs/dbraw/zinc/46/75/97/984467597.db2.gz QYLQSTFFJPZBOE-UHFFFAOYSA-N -1 0 346.339 2.083 20 30 EEEDRM C=CCc1cc(C(=O)[O-])cc(OC)c1OC(=O)c1nn(CC)nc1C ZINC001588885852 984470476 /nfs/dbraw/zinc/47/04/76/984470476.db2.gz ZQZIIYQDKDTUOM-UHFFFAOYSA-N -1 0 345.355 2.261 20 30 EEEDRM C=CCn1c2ccccc2n(CN2CCOC[C@@H]2CC(=O)[O-])c1=S ZINC001588891995 984490745 /nfs/dbraw/zinc/49/07/45/984490745.db2.gz ZIDDKAPWIWHOOX-ZDUSSCGKSA-N -1 0 347.440 2.491 20 30 EEEDRM C=CCn1c([C@H](O)C(C)C)nnc1N1CCC[C@H](CCC(=O)[O-])C1 ZINC001588895318 984491864 /nfs/dbraw/zinc/49/18/64/984491864.db2.gz CEKPBJCRZWETGH-UKRRQHHQSA-N -1 0 336.436 2.235 20 30 EEEDRM C=CCn1c([C@@H](O)/C=C\CC)nnc1N1C[C@@H](C)[C@](C)(C(=O)[O-])C1 ZINC001588895700 984495594 /nfs/dbraw/zinc/49/55/94/984495594.db2.gz LNVLQYLMWUKDIL-FKHLBYSFSA-N -1 0 334.420 2.011 20 30 EEEDRM CC#CC[C@H](CO)NC(=O)Nc1cc2ccccc2c(C(=O)[O-])c1 ZINC001588926276 984592504 /nfs/dbraw/zinc/59/25/04/984592504.db2.gz POXGFFWTTCTHGT-CYBMUJFWSA-N -1 0 326.352 2.434 20 30 EEEDRM CC#CCCNC(=O)N1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC001588926891 984594564 /nfs/dbraw/zinc/59/45/64/984594564.db2.gz BKRXVCGBEVSDGA-CQSZACIVSA-N -1 0 329.400 2.018 20 30 EEEDRM CCOC(=O)c1ccc(CNc2ccc(C(=O)[O-])nc2C#N)cc1 ZINC001596719486 984957670 /nfs/dbraw/zinc/95/76/70/984957670.db2.gz NAAMMLKZELHSJN-UHFFFAOYSA-N -1 0 325.324 2.440 20 30 EEEDRM CC(=O)C1=C(C(=O)[O-])NC(=S)N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001589026623 985043438 /nfs/dbraw/zinc/04/34/38/985043438.db2.gz HPEREAOEZUHAGH-SNVBAGLBSA-N -1 0 344.314 2.152 20 30 EEEDRM C[C@H]1CN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)C[C@]1(C)C(=O)[O-] ZINC001599915122 985043869 /nfs/dbraw/zinc/04/38/69/985043869.db2.gz QBGMAIYMGCETJK-GTNSWQLSSA-N -1 0 330.359 2.298 20 30 EEEDRM C[C@H]1c2ccccc2C[C@H]1NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001599936939 985406973 /nfs/dbraw/zinc/40/69/73/985406973.db2.gz IKIRPWQNNGNJDJ-SWLSCSKDSA-N -1 0 327.384 2.115 20 30 EEEDRM Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ncc(C(=O)[O-])s1 ZINC001599941440 985460012 /nfs/dbraw/zinc/46/00/12/985460012.db2.gz KRQNRYNDANEGTM-UHFFFAOYSA-N -1 0 346.368 2.002 20 30 EEEDRM C[C@H](C#N)CNC(=O)NCc1ccc(C(=O)[O-])cc1Br ZINC001589330975 986181567 /nfs/dbraw/zinc/18/15/67/986181567.db2.gz XBIBRNJVFFEANS-MRVPVSSYSA-N -1 0 340.177 2.106 20 30 EEEDRM CCOc1cc(C#N)cc(Cl)c1OC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001596993602 986286025 /nfs/dbraw/zinc/28/60/25/986286025.db2.gz MVGYMFKUUUHVEH-UHFFFAOYSA-N -1 0 349.730 2.111 20 30 EEEDRM CCOc1ccc(C[C@H](CNC(=O)c2ccc(C#N)o2)C(=O)[O-])cc1 ZINC001597088242 986660291 /nfs/dbraw/zinc/66/02/91/986660291.db2.gz DPALHYGHYNJNAT-CYBMUJFWSA-N -1 0 342.351 2.223 20 30 EEEDRM CC(C)(C#N)CCS(=O)(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001589554926 987304864 /nfs/dbraw/zinc/30/48/64/987304864.db2.gz WPUGFRYOGSSXKT-UHFFFAOYSA-N -1 0 332.328 2.345 20 30 EEEDRM CC(C)(C#N)c1ccc(C(=O)N2CC(c3cc(C(=O)[O-])n[nH]3)C2)cc1 ZINC001589557393 987305797 /nfs/dbraw/zinc/30/57/97/987305797.db2.gz CCQOMFYGLSONAI-UHFFFAOYSA-N -1 0 338.367 2.149 20 30 EEEDRM CCc1oc(CN2CCN(c3cccc(C#N)n3)CC2)cc1C(=O)[O-] ZINC001597800373 989392949 /nfs/dbraw/zinc/39/29/49/989392949.db2.gz ZLGGSJFYIXXSBX-UHFFFAOYSA-N -1 0 340.383 2.129 20 30 EEEDRM CCc1sc(C(=O)N(CC#N)CC(=O)[O-])cc1Br ZINC001597817885 989449499 /nfs/dbraw/zinc/44/94/99/989449499.db2.gz BQCROMBBGOWGTC-UHFFFAOYSA-N -1 0 331.191 2.123 20 30 EEEDRM CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC001597822510 989466077 /nfs/dbraw/zinc/46/60/77/989466077.db2.gz CQQXHZUUVOCIEN-IUODEOHRSA-N -1 0 339.399 2.384 20 30 EEEDRM CC(C)(C)n1cc(C#N)cc1NC(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001590588695 990238382 /nfs/dbraw/zinc/23/83/82/990238382.db2.gz IQUNJDMUFBMPCG-UHFFFAOYSA-N -1 0 326.356 2.389 20 30 EEEDRM CN([C@@H]1CCC[C@H]1C#N)S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC001598370620 991534174 /nfs/dbraw/zinc/53/41/74/991534174.db2.gz WRNZWXXBJXYPCK-JOYOIKCWSA-N -1 0 342.804 2.351 20 30 EEEDRM CN([C@@H]1CCC[C@@H]1C#N)S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC001598370618 991534494 /nfs/dbraw/zinc/53/44/94/991534494.db2.gz WRNZWXXBJXYPCK-BXKDBHETSA-N -1 0 342.804 2.351 20 30 EEEDRM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)c1ccc(C#N)s1 ZINC001598522863 992680907 /nfs/dbraw/zinc/68/09/07/992680907.db2.gz XZPRIHMQNNSYIK-UHFFFAOYSA-N -1 0 330.365 2.355 20 30 EEEDRM CC(C)N(CCC(=O)[O-])C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC001591575503 992786871 /nfs/dbraw/zinc/78/68/71/992786871.db2.gz HSMZASHYUNLBJM-AWEZNQCLSA-N -1 0 347.390 2.235 20 30 EEEDRM COc1cccc([C@H](C(=O)[O-])N(C)C(=O)Cc2cccc(C#N)c2)c1 ZINC001599647842 994450933 /nfs/dbraw/zinc/45/09/33/994450933.db2.gz GPCZYXWRUHRFCD-GOSISDBHSA-N -1 0 338.363 2.394 20 30 EEEDRM CC1(C#N)CCN(S(=O)(=O)c2cccc(Cl)c2C(=O)[O-])CC1 ZINC001593743265 996366714 /nfs/dbraw/zinc/36/67/14/996366714.db2.gz LMKULODYDFYQKF-UHFFFAOYSA-N -1 0 342.804 2.353 20 30 EEEDRM COCc1nc(Cl)cc(N=NCc2cccn2[C@H](C)C(=O)[O-])n1 ZINC001599302074 997249947 /nfs/dbraw/zinc/24/99/47/997249947.db2.gz XVQVPCANNLHWRH-SECBINFHSA-N -1 0 337.767 2.170 20 30 EEEDRM COCCN(CCC(=O)[O-])Cc1cc(C#N)ccc1Br ZINC001599236543 997956828 /nfs/dbraw/zinc/95/68/28/997956828.db2.gz GYYUNCCSBYKJBT-UHFFFAOYSA-N -1 0 341.205 2.244 20 30 EEEDRM COc1cc(C#N)ccc1NC(=O)N1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC001599347778 998038744 /nfs/dbraw/zinc/03/87/44/998038744.db2.gz LEPZRWMRUYCHHE-PBHICJAKSA-N -1 0 329.356 2.428 20 30 EEEDRM COc1cc(C#N)ccc1CN[C@](C)(CC(=O)[O-])c1ccccn1 ZINC001599348004 998044235 /nfs/dbraw/zinc/04/42/35/998044235.db2.gz PIWBLSKFMYLCLQ-GOSISDBHSA-N -1 0 325.368 2.442 20 30 EEEDRM 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C=CCn1c(Nc2ccn(CC)n2)nnc1-c1c[n-]n(CC)c1=O ZINC001121596127 1310063820 /nfs/dbraw/zinc/06/38/20/1310063820.db2.gz KFKAPGXAJYNQJB-UHFFFAOYSA-N -1 0 328.380 2.013 20 30 EEEDRM N#Cc1ccc(-c2noc(C([O-])=Cc3ccccc3[N+](=O)[O-])n2)nc1 ZINC001248979212 1310979531 /nfs/dbraw/zinc/97/95/31/1310979531.db2.gz RJHYIBYAKXFCTE-UHFFFAOYSA-N -1 0 335.279 2.337 20 30 EEEDRM N#Cc1cnoc1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC001260374390 1319874675 /nfs/dbraw/zinc/87/46/75/1319874675.db2.gz URLKQNNTGKFOGN-UHFFFAOYSA-N -1 0 346.137 2.249 20 30 EEEDRM C#CC1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])CC1 ZINC000828109741 1314446864 /nfs/dbraw/zinc/44/68/64/1314446864.db2.gz HIQFBISDKHKHBQ-UHFFFAOYSA-N -1 0 333.331 2.445 20 30 EEEDRM CCN(CC)c1ccnc([N-]N=C2c3cccc(OC)c3NC2=O)n1 ZINC000842528178 1315720601 /nfs/dbraw/zinc/72/06/01/1315720601.db2.gz QIQGFZBQJUBVDB-UHFFFAOYSA-N -1 0 340.387 2.100 20 30 EEEDRM O=C(NO)c1ccc2c(c1)[n-]c(=S)n(CCc1ccccc1)c2=O ZINC000843043570 1315827302 /nfs/dbraw/zinc/82/73/02/1315827302.db2.gz 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C#CC[C@H](NC(=O)/C=C/c1cc2c(cc1OCC)C[C@H](C)O2)C(=O)[O-] ZINC001609076373 1351831825 /nfs/dbraw/zinc/83/18/25/1351831825.db2.gz JFPFNCFGXQLDQN-AVDDZBROSA-N -1 0 343.379 2.015 20 30 EEEDRM C=C(C)[C@@H](CC(=O)N1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1)OCC ZINC001609189791 1351883173 /nfs/dbraw/zinc/88/31/73/1351883173.db2.gz BQWCVVDQTLEDJR-GVDBMIGSSA-N -1 0 347.411 2.390 20 30 EEEDRM Cn1c(C=NNC[C@@H]2CCSC2)c(Br)cc1C(=O)[O-] ZINC001325940702 1334001542 /nfs/dbraw/zinc/00/15/42/1334001542.db2.gz QMBCKRDPQMGCMP-QMMMGPOBSA-N -1 0 346.250 2.162 20 30 EEEDRM CCCOc1ccc(CN=Nc2oc(C)nc2-c2nnn[n-]2)cc1 ZINC001609216814 1351897560 /nfs/dbraw/zinc/89/75/60/1351897560.db2.gz KKMYSUXANPJFIR-UHFFFAOYSA-N -1 0 327.348 2.398 20 30 EEEDRM C=CC[C@H](NC(=O)CCc1nc(-c2ccc(C)c(F)c2)no1)C(=O)[O-] ZINC001327013081 1334203237 /nfs/dbraw/zinc/20/32/37/1334203237.db2.gz HMIPUVDFVHHIHJ-ZDUSSCGKSA-N -1 0 347.346 2.262 20 30 EEEDRM C=C[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001609287326 1351922810 /nfs/dbraw/zinc/92/28/10/1351922810.db2.gz LQRBRAZYXWSGGT-VIFPVBQESA-N -1 0 338.310 2.169 20 30 EEEDRM COc1cc(CN=Nc2oc(C(C)C)nc2-c2nnn[n-]2)ccc1O ZINC001609341551 1351938375 /nfs/dbraw/zinc/93/83/75/1351938375.db2.gz XFYFVLZMJXMQFI-UHFFFAOYSA-N -1 0 343.347 2.138 20 30 EEEDRM C[C@@H](C(=O)[O-])N(CC(=O)Nc1cc(Cl)ccc1C#N)C1CCC1 ZINC001609641870 1352048917 /nfs/dbraw/zinc/04/89/17/1352048917.db2.gz VTHFJZJZPZNWEP-JTQLQIEISA-N -1 0 335.791 2.478 20 30 EEEDRM CC(C)[C@H](C#N)N1CCN(C(=O)c2cc(C(=O)[O-])ccc2Cl)CC1 ZINC001609683499 1352058311 /nfs/dbraw/zinc/05/83/11/1352058311.db2.gz LWIAFYQMDMEUKI-HNNXBMFYSA-N -1 0 349.818 2.344 20 30 EEEDRM C=CC[C@@H](NC(=O)Nc1cc2c(cc1Cl)OCCO2)C(=O)[O-] ZINC001336936735 1336619693 /nfs/dbraw/zinc/61/96/93/1336619693.db2.gz UACDJUNUNNHMOW-SECBINFHSA-N -1 0 326.736 2.262 20 30 EEEDRM C=CC[C@@H](NC(=O)NCCOc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC001339741142 1337065205 /nfs/dbraw/zinc/06/52/05/1337065205.db2.gz HEMVCWITQIOLLQ-GFCCVEGCSA-N -1 0 346.305 2.413 20 30 EEEDRM C=CCn1c(-c2cc(=O)[nH][n-]2)nnc1N1CCC2(CCCCC2)CC1 ZINC001340560296 1337206946 /nfs/dbraw/zinc/20/69/46/1337206946.db2.gz FUUAVHIODHXYCF-UHFFFAOYSA-N -1 0 342.447 2.239 20 30 EEEDRM CCN(CCC(=O)[O-])C(=O)c1cc(C2CC2)nc(SC)c1C#N ZINC001610001140 1352138025 /nfs/dbraw/zinc/13/80/25/1352138025.db2.gz SDEFWWLRDQRJAV-UHFFFAOYSA-N -1 0 333.413 2.489 20 30 EEEDRM COCCOc1ccc(C(=O)/C=C\c2c(C)n(C)nc2C(=O)[O-])cc1 ZINC001610262951 1352195863 /nfs/dbraw/zinc/19/58/63/1352195863.db2.gz SFICJDDRTATATM-HJWRWDBZSA-N -1 0 344.367 2.348 20 30 EEEDRM Cc1cc(C#N)ccc1OS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC001610433322 1352221750 /nfs/dbraw/zinc/22/17/50/1352221750.db2.gz VGBOICGQHCVGOI-UHFFFAOYSA-N -1 0 335.312 2.472 20 30 EEEDRM C=C(C)CN(CC)C(=O)Nc1nc(Cl)c(-c2nnn[n-]2)s1 ZINC001588426083 1348904245 /nfs/dbraw/zinc/90/42/45/1348904245.db2.gz KPYZLQVMRDFHGY-UHFFFAOYSA-N -1 0 327.801 2.407 20 30 EEEDRM CC(C)(C#N)c1ccc(C(=O)Nc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC001589036005 1348953710 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2.467 20 30 EEEDRM Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@@H](CC(=O)[O-])C(C)(C)C ZINC001600230244 1349997454 /nfs/dbraw/zinc/99/74/54/1349997454.db2.gz DLRMWFSBGZRWKO-LBPRGKRZSA-N -1 0 342.392 2.174 20 30 EEEDRM Cc1cc(NC(=O)[C@@]2(C(=O)[O-])C[C@@H]2c2ccccc2)nn1CCC#N ZINC001600249354 1350001767 /nfs/dbraw/zinc/00/17/67/1350001767.db2.gz FWPNIVPKTLOAGZ-RDTXWAMCSA-N -1 0 338.367 2.302 20 30 EEEDRM Cc1cc(S(=O)(=O)N[C@@]2(C#N)CCC[C@H](C)C2)oc1C(=O)[O-] ZINC001600296843 1350013473 /nfs/dbraw/zinc/01/34/73/1350013473.db2.gz GMRDROBBDVOVQK-XPTSAGLGSA-N -1 0 326.374 2.037 20 30 EEEDRM Cc1csc(C(=O)[O-])c1S(=O)(=O)N[C@@](C)(C#N)C(C)(C)C ZINC001600652862 1350108022 /nfs/dbraw/zinc/10/80/22/1350108022.db2.gz FFMQDAXVGSUSFV-ZDUSSCGKSA-N -1 0 330.431 2.361 20 30 EEEDRM Cc1nc(COC(C)(C)C)oc1C(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001600702665 1350118421 /nfs/dbraw/zinc/11/84/21/1350118421.db2.gz LFAGYMLYMDODKV-UHFFFAOYSA-N -1 0 349.387 2.129 20 30 EEEDRM Cc1ncc(NC(=O)Cc2ccc(OCC#N)cc2)cc1C(=O)[O-] ZINC001600740974 1350125723 /nfs/dbraw/zinc/12/57/23/1350125723.db2.gz SRZFTYNFMLGTGK-UHFFFAOYSA-N -1 0 325.324 2.172 20 30 EEEDRM Cc1oc(C(=O)[O-])cc1CN(c1cccc(C#N)c1)S(C)(=O)=O ZINC001600828830 1350146345 /nfs/dbraw/zinc/14/63/45/1350146345.db2.gz GYUUKHJFVVMIQI-UHFFFAOYSA-N -1 0 334.353 2.124 20 30 EEEDRM Cn1c(C(=O)[O-])ccc1C(=O)[C@@H](C#N)C(=O)Nc1ccccc1Cl ZINC001600903722 1350163813 /nfs/dbraw/zinc/16/38/13/1350163813.db2.gz XQPWKLAXAOEBAX-SECBINFHSA-N -1 0 345.742 2.338 20 30 EEEDRM N#CC1(C(=O)[O-])CCN(C(=O)c2cccc(Br)c2)CC1 ZINC001601055012 1350198952 /nfs/dbraw/zinc/19/89/52/1350198952.db2.gz DUHFMFLMOGXKRQ-UHFFFAOYSA-N -1 0 337.173 2.280 20 30 EEEDRM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(C(=O)[O-])no1 ZINC001601048267 1350197070 /nfs/dbraw/zinc/19/70/70/1350197070.db2.gz CIAJGDDLBWMFDP-JSGCOSHPSA-N -1 0 325.324 2.285 20 30 EEEDRM N#CC1(C(=O)[O-])CCN(C(=O)[C@@H]2CCCc3c(O)cccc32)CC1 ZINC001601048504 1350197196 /nfs/dbraw/zinc/19/71/96/1350197196.db2.gz GPMJCOFLBJRVPD-CQSZACIVSA-N -1 0 328.368 2.029 20 30 EEEDRM N#C[C@@H](c1ccccc1)N1CCN(Cc2nc(C(=O)[O-])cs2)CC1 ZINC001601049981 1350197322 /nfs/dbraw/zinc/19/73/22/1350197322.db2.gz SVFRGKDJYNIPOG-HNNXBMFYSA-N -1 0 342.424 2.224 20 30 EEEDRM N#C[C@H](c1ccccc1)N1CCN(Cc2ccc(C(=O)[O-])cn2)CC1 ZINC001601048934 1350197343 /nfs/dbraw/zinc/19/73/43/1350197343.db2.gz IINHESQAQLGDLK-GOSISDBHSA-N -1 0 336.395 2.162 20 30 EEEDRM N#CC1(c2ccccn2)CCN(C(=O)c2cccc(CC(=O)[O-])c2)CC1 ZINC001601058749 1350199902 /nfs/dbraw/zinc/19/99/02/1350199902.db2.gz PQGTVGCDAXSKRY-UHFFFAOYSA-N -1 0 349.390 2.406 20 30 EEEDRM N#CCCCn1cc(C(=O)N2CC[C@H](C(=O)[O-])C2)c2ccccc21 ZINC001601066472 1350201465 /nfs/dbraw/zinc/20/14/65/1350201465.db2.gz DWFVWPRZYBGGJD-ZDUSSCGKSA-N -1 0 325.368 2.492 20 30 EEEDRM N#CCN(CC(=O)[O-])C(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1 ZINC001601069101 1350202139 /nfs/dbraw/zinc/20/21/39/1350202139.db2.gz HYKMALAXCSLZSM-UHFFFAOYSA-N -1 0 334.335 2.280 20 30 EEEDRM N#CCOc1cccc(CC(=O)N2CCc3cc(C(=O)[O-])ccc32)c1 ZINC001601073805 1350202570 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N#Cc1ccsc1NC(=O)CN1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21 ZINC001601129597 1350217288 /nfs/dbraw/zinc/21/72/88/1350217288.db2.gz KKZRRSLQZLWTNX-RWMBFGLXSA-N -1 0 333.413 2.133 20 30 EEEDRM N#Cc1nc(C(=O)[O-])ccc1N[C@H]1CC[C@H](c2nccc(=O)[nH]2)CC1 ZINC001601135027 1350218342 /nfs/dbraw/zinc/21/83/42/1350218342.db2.gz USTJBLFJIHXTCZ-XYPYZODXSA-N -1 0 339.355 2.285 20 30 EEEDRM N#Cc1nc(N2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)sc1Cl ZINC001601134683 1350218415 /nfs/dbraw/zinc/21/84/15/1350218415.db2.gz XGORMXURPMHYFW-CQSZACIVSA-N -1 0 341.820 2.254 20 30 EEEDRM O=C([O-])c1ccc(-c2ccc(CN[C@@H]3CCCN(O)C3=O)o2)cc1 ZINC001602309402 1350490570 /nfs/dbraw/zinc/49/05/70/1350490570.db2.gz MSPIBGUSUQBRNS-CQSZACIVSA-N -1 0 330.340 2.115 20 30 EEEDRM C#CC1CCN(C(=O)C(=O)Nc2scc(C3CC3)c2C(=O)[O-])CC1 ZINC001602681660 1350572857 /nfs/dbraw/zinc/57/28/57/1350572857.db2.gz QSJGRXBXZZUFQH-UHFFFAOYSA-N -1 0 346.408 2.134 20 30 EEEDRM C#CC[C@H](NC(=O)c1ccc(-c2ccc(C=O)s2)cc1)C(=O)[O-] ZINC001602692951 1350574211 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/nfs/dbraw/zinc/60/26/79/1350602679.db2.gz PYLQKWHHXWDANI-UHFFFAOYSA-N -1 0 328.324 2.454 20 30 EEEDRM CC(C)(C)[C@H](C#N)NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001603302606 1350683208 /nfs/dbraw/zinc/68/32/08/1350683208.db2.gz KVWYHCPQGYBYMC-JTQLQIEISA-N -1 0 348.783 2.394 20 30 EEEDRM CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1C[C@@H]2C[C@]2(C(=O)[O-])C1 ZINC001603743030 1350756593 /nfs/dbraw/zinc/75/65/93/1350756593.db2.gz DHSSWCXTCNJIHJ-DFHZNHDVSA-N -1 0 342.395 2.331 20 30 EEEDRM CC(C)CCn1nccc1NC(=O)N1CCC(C#N)(C(=O)[O-])CC1 ZINC001603800154 1350770438 /nfs/dbraw/zinc/77/04/38/1350770438.db2.gz WOGXQLZAMHWTBO-UHFFFAOYSA-N -1 0 333.392 2.151 20 30 EEEDRM CC(C)Cn1c([C@@H]2C[C@@H]2C#N)nnc1N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001603856206 1350784703 /nfs/dbraw/zinc/78/47/03/1350784703.db2.gz FUXJBHQUZQCYEH-NPSOMJIGSA-N -1 0 343.431 2.252 20 30 EEEDRM CC(C)n1cnnc1C1CCN(c2ccc(C(=O)[O-])nc2C#N)CC1 ZINC001604040742 1350837501 /nfs/dbraw/zinc/83/75/01/1350837501.db2.gz AADFMKUAQWTPFJ-UHFFFAOYSA-N -1 0 340.387 2.208 20 30 EEEDRM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)NCC(C)(C)C#N ZINC001604807417 1351011086 /nfs/dbraw/zinc/01/10/86/1351011086.db2.gz XYRGLWDOARFJPL-ZDUSSCGKSA-N -1 0 344.415 2.155 20 30 EEEDRM CCC1=C(C(=O)C(=O)[O-])[C@H](c2csc(C(C)C)n2)NC(=S)N1 ZINC001605149506 1351088480 /nfs/dbraw/zinc/08/84/80/1351088480.db2.gz JCPSSQRUPKOTON-JTQLQIEISA-N -1 0 339.442 2.103 20 30 EEEDRM CCN(C(=O)Cn1cc(C(=O)[O-])cn1)c1ccc(C#N)c(Cl)c1 ZINC001605396281 1351152955 /nfs/dbraw/zinc/15/29/55/1351152955.db2.gz KMIOYWVCGUQCEB-UHFFFAOYSA-N -1 0 332.747 2.159 20 30 EEEDRM C[Si](C)(C)C#CCCNC(=O)C=Cc1ccccc1-c1nn[nH]n1 ZINC001605450937 1351160755 /nfs/dbraw/zinc/16/07/55/1351160755.db2.gz KYSKHTQXZPHTDW-KHPPLWFESA-N -1 0 339.475 2.267 20 30 EEEDRM COC(=O)c1c[nH]c(C(=O)[O-])c1NC(=O)CC1(C#N)CCCCC1 ZINC001606527530 1351317303 /nfs/dbraw/zinc/31/73/03/1351317303.db2.gz MAIZDWIPVJAJTP-UHFFFAOYSA-N -1 0 333.344 2.302 20 30 EEEDRM COc1cc(OC(=O)c2cnn(CCC#N)c2C)ccc1C(=O)[O-] ZINC001607182272 1351444630 /nfs/dbraw/zinc/44/46/30/1351444630.db2.gz WAEMXWVXLDADIU-UHFFFAOYSA-N -1 0 329.312 2.031 20 30 EEEDRM COc1cc(S(=O)(=O)Oc2cccc(CC#N)c2)ccc1C(=O)[O-] ZINC001607190199 1351446154 /nfs/dbraw/zinc/44/61/54/1351446154.db2.gz QSQNEEICOBUGIB-UHFFFAOYSA-N -1 0 347.348 2.227 20 30 EEEDRM COc1cc2c(cc1CN1CCC(C#N)(C(=O)[O-])CC1)O[C@@H](C)C2 ZINC001607192374 1351446754 /nfs/dbraw/zinc/44/67/54/1351446754.db2.gz UFIGJJQFWIVRQN-LBPRGKRZSA-N -1 0 330.384 2.209 20 30 EEEDRM C[C@H]1CN(c2nnc([C@]3(C#N)CC34CCCC4)n2C)C[C@]1(C)C(=O)[O-] ZINC001607481071 1351501014 /nfs/dbraw/zinc/50/10/14/1351501014.db2.gz OXMDICJAXQJTOF-ULFGMLNVSA-N -1 0 343.431 2.088 20 30 EEEDRM Cc1c(C#N)cccc1NC(=O)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC001607504728 1351507233 /nfs/dbraw/zinc/50/72/33/1351507233.db2.gz SVXCLPPNTIUDNR-AWEZNQCLSA-N -1 0 349.346 2.020 20 30 EEEDRM Cc1c(/C=C2/COc3c(F)cc(F)cc3C2=O)c(C(=O)[O-])nn1C ZINC001607524418 1351510333 /nfs/dbraw/zinc/51/03/33/1351510333.db2.gz IGUTTYHZIGLKKV-BAQGIRSFSA-N -1 0 334.278 2.364 20 30 EEEDRM Cc1c(NC(=O)C(=O)NCC2(C#N)CCCCC2)cccc1C(=O)[O-] ZINC001607537753 1351512345 /nfs/dbraw/zinc/51/23/45/1351512345.db2.gz XSGKBRJRLUSUCT-UHFFFAOYSA-N -1 0 343.383 2.222 20 30 EEEDRM Cc1nc(SCC(=O)N[C@H](C)/C=C\C(=O)[O-])c(C#N)c(C)c1C ZINC001607967492 1351594944 /nfs/dbraw/zinc/59/49/44/1351594944.db2.gz LTEKRAWYGMBFQS-SSJHQANKSA-N -1 0 333.413 2.116 20 30 EEEDRM N#CC1(C(=O)[O-])CCN(C(=O)NCc2ccc3ncccc3c2)CC1 ZINC001608172144 1351639918 /nfs/dbraw/zinc/63/99/18/1351639918.db2.gz DCORYOZZQVHFHR-UHFFFAOYSA-N -1 0 338.367 2.135 20 30 EEEDRM N#Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)ccc1F ZINC001608194362 1351644488 /nfs/dbraw/zinc/64/44/88/1351644488.db2.gz UQVQMZODZUXSKT-HNNXBMFYSA-N -1 0 326.283 2.190 20 30 EEEDRM N#Cc1ccc(C(F)(F)F)nc1N1CCSC[C@@H](C(=O)[O-])C1 ZINC001608201776 1351646173 /nfs/dbraw/zinc/64/61/73/1351646173.db2.gz HBUUSQIZHQDZIQ-VIFPVBQESA-N -1 0 331.319 2.226 20 30 EEEDRM N#Cc1cccc(C(=O)COC(=O)C23CCC(C(=O)[O-])(CC2)C3)c1 ZINC001608214858 1351649096 /nfs/dbraw/zinc/64/90/96/1351649096.db2.gz HRBFOJXWPGAEML-UHFFFAOYSA-N -1 0 327.336 2.319 20 30 EEEDRM N#Cc1cccc([C@H](OC(=O)C(F)(F)C2CCOCC2)C(=O)[O-])c1 ZINC001608216880 1351650510 /nfs/dbraw/zinc/65/05/10/1351650510.db2.gz ZCAYCJBAMIOMMX-ZDUSSCGKSA-N -1 0 339.294 2.289 20 30 EEEDRM C=CCCOCC(=O)[N-]S(=O)(=O)C1CCC(C(F)(F)F)CC1 ZINC000810969999 1367756850 /nfs/dbraw/zinc/75/68/50/1367756850.db2.gz OCAUHDOIULOPAD-UHFFFAOYSA-N -1 0 343.367 2.146 20 30 EEEDRM C=CCC1(S(=O)(=O)[N-]C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000810983883 1367757569 /nfs/dbraw/zinc/75/75/69/1367757569.db2.gz KGLAWNXGWGCHBR-UHFFFAOYSA-N -1 0 349.368 2.244 20 30 EEEDRM CCc1nnc2ccc([N-]S(=O)(=O)c3ccc(C)c(C#N)c3)cn21 ZINC001201295530 1368802645 /nfs/dbraw/zinc/80/26/45/1368802645.db2.gz UFQFMUSFCOWLNC-UHFFFAOYSA-N -1 0 341.396 2.273 20 30 EEEDRM CCCCCCCS(=O)(=O)N[C@@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC000863430767 1369562425 /nfs/dbraw/zinc/56/24/25/1369562425.db2.gz KBRUPJYFJCZRSP-KGLIPLIRSA-N -1 0 335.466 2.146 20 30 EEEDRM N#CCCNC(=O)N=c1[n-]nc(SCc2ccc(C#N)cc2)s1 ZINC000488394275 1370798059 /nfs/dbraw/zinc/79/80/59/1370798059.db2.gz UGKAGCBBGRJPPW-UHFFFAOYSA-N -1 0 344.425 2.159 20 30 EEEDRM COCCCNC(=O)C(C#N)=C([O-])c1ccc2nccc(C)c2c1 ZINC000796771038 1371466565 /nfs/dbraw/zinc/46/65/65/1371466565.db2.gz HAWIHVMAXGDBQS-HNNXBMFYSA-N -1 0 325.368 2.018 20 30 EEEDRM C=CCC(C)(C)C(=O)[N-]S(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000796945651 1371486564 /nfs/dbraw/zinc/48/65/64/1371486564.db2.gz BMQWLXFQFFYAHL-UHFFFAOYSA-N -1 0 347.440 2.339 20 30 EEEDRM COc1cncc(S(=O)(=O)[N-]c2ccccc2O[C@@H](C)C#N)c1 ZINC000799124012 1371630552 /nfs/dbraw/zinc/63/05/52/1371630552.db2.gz JCNKNDHEZNYNBZ-NSHDSACASA-N -1 0 333.369 2.182 20 30 EEEDRM CCCOc1ccc(C([O-])=C(C#N)C(=O)N2CCCC2)c(OC)c1 ZINC000835058376 1372584207 /nfs/dbraw/zinc/58/42/07/1372584207.db2.gz MUVNORAVDYBYBU-OAHLLOKOSA-N -1 0 330.384 2.429 20 30 EEEDRM N#CCCS(=O)(=O)[N-]C(=O)[C@H](F)c1ccc(C(F)(F)F)cc1 ZINC000835410558 1372622708 /nfs/dbraw/zinc/62/27/08/1372622708.db2.gz VBMLBFTXLWIOKL-SNVBAGLBSA-N -1 0 338.282 2.076 20 30 EEEDRM COCc1nc(C([O-])=C(C#N)c2nc(N)c3ccccc3n2)cs1 ZINC001343292005 1372954738 /nfs/dbraw/zinc/95/47/38/1372954738.db2.gz HWSNCTFJRPPVJI-JTQLQIEISA-N -1 0 339.380 2.305 20 30 EEEDRM C#CCN(C)c1nnc(-c2ccc([N+](=O)[O-])c([O-])c2)n1CC1CC1 ZINC001346939222 1372973108 /nfs/dbraw/zinc/97/31/08/1372973108.db2.gz YZMGGTJNFUDQHN-UHFFFAOYSA-N -1 0 327.344 2.038 20 30 EEEDRM C[C@@H]1CN(CC/N=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H](C)CO1 ZINC000849169683 1373246476 /nfs/dbraw/zinc/24/64/76/1373246476.db2.gz GBGXLTUPDCVFOX-KDWBTFRWSA-N -1 0 341.795 2.482 20 30 EEEDRM N#Cc1c(-c2nnn[n-]2)ncn1CCSc1ccc(Cl)cc1 ZINC001606356547 1404801522 /nfs/dbraw/zinc/80/15/22/1404801522.db2.gz YKYHEMHNABKXIQ-UHFFFAOYSA-N -1 0 331.792 2.381 20 30 EEEDRM CCn1[n-]cc(-c2nnc(N3CCC[C@@H](C#N)C3)n2CC2CC2)c1=O ZINC001772399661 1410168710 /nfs/dbraw/zinc/16/87/10/1410168710.db2.gz KWHZOIKXXPSYLN-ZDUSSCGKSA-N -1 0 341.419 2.017 20 30 EEEDRM CC(C)NC(=O)C(C#N)=C([O-])c1cccc(NC(=O)c2ccco2)c1 ZINC000131067624 782959050 /nfs/dbraw/zinc/95/90/50/782959050.db2.gz OQLYBKYTOGANCI-CQSZACIVSA-N -1 0 339.351 2.379 20 30 EEEDRM CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cc(C#N)ccc1[O-] ZINC000179733802 774210524 /nfs/dbraw/zinc/21/05/24/774210524.db2.gz GFEXSEFZDTXYCU-KRWDZBQOSA-N -1 0 335.363 2.176 20 30 EEEDRM C=C[C@](C)(CCOC)C(=O)[N-]S(=O)(=O)Cc1ccc(C)cc1F ZINC000190869353 780558644 /nfs/dbraw/zinc/55/86/44/780558644.db2.gz YYTZISWWCZPAGC-MRXNPFEDSA-N -1 0 343.420 2.309 20 30 EEEDRM Cn1ccnc1C(=O)C(C#N)=C([O-])c1ccc(OC(C)(C)C)cn1 ZINC000815987361 783592925 /nfs/dbraw/zinc/59/29/25/783592925.db2.gz BTINAYKMZLOMGS-GFCCVEGCSA-N -1 0 326.356 2.198 20 30 EEEDRM Cc1sc([N-]S(=O)(=O)N=S2(=O)CCCC2)c(C#N)c1C ZINC000906068906 783684124 /nfs/dbraw/zinc/68/41/24/783684124.db2.gz PDLSLEYIXATBRW-UHFFFAOYSA-N -1 0 333.460 2.155 20 30 EEEDRM CCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C#N ZINC000816129721 783694829 /nfs/dbraw/zinc/69/48/29/783694829.db2.gz JYCHAXQIDXFFRA-JTQLQIEISA-N -1 0 339.373 2.098 20 30 EEEDRM N#CCC1CCN(S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)CC1 ZINC000906924656 784267632 /nfs/dbraw/zinc/26/76/32/784267632.db2.gz LQUOIWFARQWNGP-UHFFFAOYSA-N -1 0 336.413 2.018 20 30 EEEDRM Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](CC#N)C2)cc1C(=O)[O-] ZINC000907028826 784334584 /nfs/dbraw/zinc/33/45/84/784334584.db2.gz LQXRQZARNUJESG-ZDUSSCGKSA-N -1 0 336.413 2.316 20 30 EEEDRM N#CC1(C(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)CCSCC1 ZINC000907723459 784825923 /nfs/dbraw/zinc/82/59/23/784825923.db2.gz HQEGIOPXEHLLBB-UHFFFAOYSA-N -1 0 348.399 2.446 20 30 EEEDRM CCOCCCNC(=O)C(C#N)=C([O-])c1cc([N+](=O)[O-])c(C)cc1C ZINC000817714220 784949010 /nfs/dbraw/zinc/94/90/10/784949010.db2.gz NJAJAQVIHIEWCA-AWEZNQCLSA-N -1 0 347.371 2.077 20 30 EEEDRM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc(-c2n[nH]c(=O)[n-]2)ccc1C ZINC000907959403 784988047 /nfs/dbraw/zinc/98/80/47/784988047.db2.gz YYOTXXZPNXZFLT-JSGCOSHPSA-N -1 0 328.372 2.405 20 30 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N#Cc1ccc(N[C@@H]2CCCN(C(=O)CCCCC(=O)[O-])C2)nc1 ZINC001594622646 956290878 /nfs/dbraw/zinc/29/08/78/956290878.db2.gz CRSSFGSQUDJNAF-CQSZACIVSA-N -1 0 330.388 2.001 20 30 EEEDRM N#Cc1ccccc1S(=O)(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001594631835 956347035 /nfs/dbraw/zinc/34/70/35/956347035.db2.gz LMRRSYSBLNTOAT-HUUCEWRRSA-N -1 0 342.376 2.150 20 30 EEEDRM N#Cc1cccnc1-n1cc(NC(=O)Cc2ccccc2C(=O)[O-])cn1 ZINC001594632319 956351664 /nfs/dbraw/zinc/35/16/64/956351664.db2.gz VPWRIKOSTIDURS-UHFFFAOYSA-N -1 0 347.334 2.018 20 30 EEEDRM COc1ccc([C@H](C)NC(=O)[C@](C)(C#N)CC(=O)[O-])c(C)c1OC ZINC001594081443 958273157 /nfs/dbraw/zinc/27/31/57/958273157.db2.gz MOIUPXKLVJOIPX-GTNSWQLSSA-N -1 0 334.372 2.194 20 30 EEEDRM C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](CC)C(=O)[O-])cc1 ZINC001588463496 958485088 /nfs/dbraw/zinc/48/50/88/958485088.db2.gz UGTRJVVFPNNIPE-HNNXBMFYSA-N -1 0 345.399 2.486 20 30 EEEDRM CC(=O)N(c1ccc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])cc1)C1CC1 ZINC001588487336 958622997 /nfs/dbraw/zinc/62/29/97/958622997.db2.gz DROGMMZTYUFJPI-QGZVFWFLSA-N -1 0 329.356 2.145 20 30 EEEDRM COc1cccc([C@@]2(C)CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C2)c1 ZINC001594124400 958624333 /nfs/dbraw/zinc/62/43/33/958624333.db2.gz UYXVMVDOPMOWCX-ZWKOTPCHSA-N -1 0 330.384 2.190 20 30 EEEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001588539994 958956513 /nfs/dbraw/zinc/95/65/13/958956513.db2.gz KSYIVBXAECUIQI-HNNXBMFYSA-N -1 0 328.284 2.086 20 30 EEEDRM C[C@@](C#N)(CC(=O)[O-])C(=O)NCCn1ccc2cc(Cl)ccc21 ZINC001588558194 959079260 /nfs/dbraw/zinc/07/92/60/959079260.db2.gz NRWDSSFZYBTOIW-INIZCTEOSA-N -1 0 333.775 2.415 20 30 EEEDRM Cc1c(C#N)cccc1NC(=O)NC[C@@H]1CCC2(CC(C(=O)[O-])C2)O1 ZINC001594253296 959631509 /nfs/dbraw/zinc/63/15/09/959631509.db2.gz VZIIVPQDADUEID-FVRSWCFKSA-N -1 0 343.383 2.401 20 30 EEEDRM C=CCCC(C)(C)CNC(=O)C(=O)N1CCC(CCC(=O)[O-])CC1 ZINC001333842613 961728370 /nfs/dbraw/zinc/72/83/70/961728370.db2.gz AUUBAXKYMIBVCT-UHFFFAOYSA-N -1 0 338.448 2.198 20 30 EEEDRM O=C([O-])[C@H](Cc1ccccc1)NC(=O)C(=O)/C=C/c1ccc(F)cc1 ZINC001574513650 961825889 /nfs/dbraw/zinc/82/58/89/961825889.db2.gz KYZRPNOADSJJLN-KXKDPZRNSA-N -1 0 341.338 2.220 20 30 EEEDRM N#Cc1cccc2c1CCN2S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC001571221962 962556348 /nfs/dbraw/zinc/55/63/48/962556348.db2.gz ZBUXBASGRGJHQN-UHFFFAOYSA-N -1 0 334.378 2.069 20 30 EEEDRM C#CC[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)[O-] ZINC001573304204 962686268 /nfs/dbraw/zinc/68/62/68/962686268.db2.gz ZRNBCMMBAUTYJM-INIZCTEOSA-N -1 0 336.347 2.145 20 30 EEEDRM C#Cc1ccccc1CC(=O)N(CCCOCC)C[C@H](C)C(=O)[O-] ZINC001573314138 962742630 /nfs/dbraw/zinc/74/26/30/962742630.db2.gz YQLXLJHYZIGNHC-HNNXBMFYSA-N -1 0 331.412 2.186 20 30 EEEDRM C=C(C)C[C@@H](NC(=O)[C@@H]1CCN(c2cc(C)cc(C)c2)C1=O)C(=O)[O-] ZINC001573320301 962748541 /nfs/dbraw/zinc/74/85/41/962748541.db2.gz CNAQCWNMPAYGOI-JKSUJKDBSA-N -1 0 344.411 2.192 20 30 EEEDRM C=C(Cl)C[C@H](NC(=O)c1cc(C)cc(C(=O)[O-])c1)C(=O)OCC ZINC001588445118 964066002 /nfs/dbraw/zinc/06/60/02/964066002.db2.gz BDMVVLDMFAROII-ZDUSSCGKSA-N -1 0 339.775 2.497 20 30 EEEDRM N#C[C@@H](C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(C(=O)[O-])cn1 ZINC001605576782 973850651 /nfs/dbraw/zinc/85/06/51/973850651.db2.gz TXANQQVSLZOTOL-GFCCVEGCSA-N -1 0 343.726 2.394 20 30 EEEDRM C[C@H](CC#N)C(=O)N1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC001592211178 977259992 /nfs/dbraw/zinc/25/99/92/977259992.db2.gz JOQUGXBZJCOUGI-DOMZBBRYSA-N -1 0 349.818 2.160 20 30 EEEDRM C[C@H](CCN=Nc1ccccc1S(=O)(=O)NC(C)(C)C)C(=O)[O-] ZINC001592471432 978232321 /nfs/dbraw/zinc/23/23/21/978232321.db2.gz SASUUJPUGVBTDM-LLVKDONJSA-N -1 0 341.433 2.272 20 30 EEEDRM C[C@@H](Oc1ccc(C=NN[C@H](CO)c2ccccc2)cc1)C(=O)[O-] ZINC000794937680 978830961 /nfs/dbraw/zinc/83/09/61/978830961.db2.gz ZOGDBAVVNPFTBD-CXAGYDPISA-N -1 0 328.368 2.196 20 30 EEEDRM CN(C)c1nc(=NN=Cc2cn(CC(=O)[O-])c3ccccc23)cc[nH]1 ZINC000799882082 978844367 /nfs/dbraw/zinc/84/43/67/978844367.db2.gz CCUJEEJIVGDVAN-UHFFFAOYSA-N -1 0 338.371 2.028 20 30 EEEDRM CCC(CC)(NC(=O)CCCC(=O)Nc1ccccc1C#N)C(=O)[O-] ZINC001595091004 979383791 /nfs/dbraw/zinc/38/37/91/979383791.db2.gz VTXNYJHOUDDTPT-UHFFFAOYSA-N -1 0 345.399 2.427 20 30 EEEDRM C[C@H](COc1cccc(C#N)c1)OC(=O)c1csc(C(=O)[O-])n1 ZINC001592780330 979408617 /nfs/dbraw/zinc/40/86/17/979408617.db2.gz DESOFSHSOTUZIR-SECBINFHSA-N -1 0 332.337 2.337 20 30 EEEDRM CCCOc1ccc(/C=C\C(=O)c2cn(CC(=O)[O-])nn2)c(C)c1 ZINC000849250148 979490492 /nfs/dbraw/zinc/49/04/92/979490492.db2.gz PJFNHZQSMRTDJA-ALCCZGGFSA-N -1 0 329.356 2.356 20 30 EEEDRM C[C@H](Cc1ccc(C#N)cc1)C(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC001592834347 979575677 /nfs/dbraw/zinc/57/56/77/979575677.db2.gz PKHYCRXLYHLHPK-VJUNAUMWSA-N -1 0 326.396 2.449 20 30 EEEDRM C=C(C)C[C@@H](NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000864187243 979833900 /nfs/dbraw/zinc/83/39/00/979833900.db2.gz HHHUNDXQUGGKNF-CYBMUJFWSA-N -1 0 340.420 2.169 20 30 EEEDRM C[C@H](NC(=O)CC(C)(C)C)C(=O)OCC#Cc1cccc(C(=O)[O-])c1 ZINC001593010556 980242813 /nfs/dbraw/zinc/24/28/13/980242813.db2.gz HIUYFZPHJKCPAV-ZDUSSCGKSA-N -1 0 345.395 2.220 20 30 EEEDRM CC[C@H]1CCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001595450333 981102230 /nfs/dbraw/zinc/10/22/30/981102230.db2.gz AFFXTHODNYMVMS-QWHCGFSZSA-N -1 0 336.413 2.361 20 30 EEEDRM CCCC[C@H](ON=C(C)C)C(=O)N[C@H](C[C@H]1CCCOC1)C(=O)[O-] ZINC001595651190 982018777 /nfs/dbraw/zinc/01/87/77/982018777.db2.gz COYFUOGOWDFPIB-KFWWJZLASA-N -1 0 342.436 2.344 20 30 EEEDRM CCCCCCCS(=O)(=O)NC(C)(C)c1nocc1C(=O)[O-] ZINC001595708960 982288949 /nfs/dbraw/zinc/28/89/49/982288949.db2.gz NPQMFNCFNWLQDI-UHFFFAOYSA-N -1 0 332.422 2.498 20 30 EEEDRM CC[C@H](C)Oc1cccc(NC(=O)N2CCC(C#N)(C(=O)[O-])CC2)n1 ZINC001595008908 982931231 /nfs/dbraw/zinc/93/12/31/982931231.db2.gz TWZCOLUCCUXEQV-LBPRGKRZSA-N -1 0 346.387 2.481 20 30 EEEDRM C#C[C@@H](NC(=O)N[C@H]1C[C@H]2C[C@H](C(=O)[O-])C[C@H]21)c1ccc(F)cc1 ZINC001588373947 983340490 /nfs/dbraw/zinc/34/04/90/983340490.db2.gz LXAFZRBFRJPISH-IPQWEPCOSA-N -1 0 330.359 2.299 20 30 EEEDRM C#CC[C@H](COC)NC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC001588395007 983404538 /nfs/dbraw/zinc/40/45/38/983404538.db2.gz OVHQFQOAHMBYDW-CQSZACIVSA-N -1 0 336.413 2.164 20 30 EEEDRM C#CC[C@H](NC(=O)Cc1csc(Cc2ccc(F)cc2)n1)C(=O)[O-] ZINC001588408155 983431016 /nfs/dbraw/zinc/43/10/16/983431016.db2.gz ZKAHQQOSTIPENF-AWEZNQCLSA-N -1 0 346.383 2.008 20 30 EEEDRM C#CC[C@H](NC(=O)c1cnc2ccccc2c1C(F)(F)F)C(=O)[O-] ZINC001588417139 983438751 /nfs/dbraw/zinc/43/87/51/983438751.db2.gz YSWPDPYPTYOINE-LBPRGKRZSA-N -1 0 336.269 2.460 20 30 EEEDRM C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC001588469909 983503264 /nfs/dbraw/zinc/50/32/64/983503264.db2.gz TWWRBLLQFAWZTF-OAHLLOKOSA-N -1 0 332.375 2.471 20 30 EEEDRM C#CCOc1cccc(NC(=O)C(=O)Nc2ccsc2C(=O)[O-])c1 ZINC001588504257 983547188 /nfs/dbraw/zinc/54/71/88/983547188.db2.gz OVGWQBWBPVLCPT-UHFFFAOYSA-N -1 0 344.348 2.036 20 30 EEEDRM C#Cc1ccc([C@@H](OC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)C(F)(F)F)cc1 ZINC001588516370 983560845 /nfs/dbraw/zinc/56/08/45/983560845.db2.gz IUFNVLFWOAEGQK-YNEHKIRRSA-N -1 0 342.269 2.447 20 30 EEEDRM C#Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2OCCOC)nc1 ZINC001588516443 983561307 /nfs/dbraw/zinc/56/13/07/983561307.db2.gz NKQXXWHZGHPWHW-UHFFFAOYSA-N -1 0 340.335 2.039 20 30 EEEDRM C#Cc1ccc(S(=O)(=O)NCC2(CC(=O)[O-])CCCCC2)cc1 ZINC001588518221 983568660 /nfs/dbraw/zinc/56/86/60/983568660.db2.gz WPRPWOSTWOSXKT-UHFFFAOYSA-N -1 0 335.425 2.371 20 30 EEEDRM C#Cc1cccc(NC(=O)CNc2ncc(C(=O)[O-])cc2Cl)c1 ZINC001588523258 983571974 /nfs/dbraw/zinc/57/19/74/983571974.db2.gz DVBADDWYQXQYST-UHFFFAOYSA-N -1 0 329.743 2.465 20 30 EEEDRM C=C(C)C[C@H](NC(C)=O)C(=O)Oc1cc(/C=C/C(=O)[O-])ccc1OC ZINC001588548752 983625314 /nfs/dbraw/zinc/62/53/14/983625314.db2.gz YBQLAWBKGVHFST-OWNNVSBGSA-N -1 0 347.367 2.169 20 30 EEEDRM C=C(C)C[C@@H](NS(=O)(=O)CC[C@H]1CCc2ccccc21)C(=O)[O-] ZINC001588553924 983628892 /nfs/dbraw/zinc/62/88/92/983628892.db2.gz VHWJRRFHTBAHRS-GDBMZVCRSA-N -1 0 337.441 2.445 20 30 EEEDRM C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001588578945 983660373 /nfs/dbraw/zinc/66/03/73/983660373.db2.gz RYOZIDJYFFRVDZ-ZDUSSCGKSA-N -1 0 327.388 2.136 20 30 EEEDRM C=C(C)Cn1c(-c2cocn2)nnc1N1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC001588589156 983666019 /nfs/dbraw/zinc/66/60/19/983666019.db2.gz HOERTOYEFLJJCR-SJCJKPOMSA-N -1 0 343.387 2.200 20 30 EEEDRM C=C(CCC(=O)[O-])C(=O)N1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001588613614 983704394 /nfs/dbraw/zinc/70/43/94/983704394.db2.gz AFBLBMKFZIHONE-QWHCGFSZSA-N -1 0 325.405 2.234 20 30 EEEDRM C=C(CCC(=O)[O-])C(=O)N[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC001588621562 983719734 /nfs/dbraw/zinc/71/97/34/983719734.db2.gz GQWFBWAGIXJWJO-GFCCVEGCSA-N -1 0 331.290 2.276 20 30 EEEDRM CCN(CCC#N)S(=O)(=O)c1cccc2c(C(=O)[O-])cccc21 ZINC001596300257 983729135 /nfs/dbraw/zinc/72/91/35/983729135.db2.gz RWJNDCVXRIREGJ-UHFFFAOYSA-N -1 0 332.381 2.462 20 30 EEEDRM C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC001588641601 983762769 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C=CCC1(CNC(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)CCCC1 ZINC001588767206 984128814 /nfs/dbraw/zinc/12/88/14/984128814.db2.gz OYTCQAZXIGDSSR-CYBMUJFWSA-N -1 0 347.419 2.069 20 30 EEEDRM C=CCC[C@H](NS(=O)(=O)c1cc(C(=O)[O-])no1)c1ccccc1 ZINC001588779291 984165342 /nfs/dbraw/zinc/16/53/42/984165342.db2.gz VZTMAZQTMNOZMF-LBPRGKRZSA-N -1 0 336.369 2.359 20 30 EEEDRM C=CCCCC(=O)N1CC[C@H](Nc2ncc(C(=O)[O-])cn2)[C@@H](C)C1 ZINC001588781541 984167260 /nfs/dbraw/zinc/16/72/60/984167260.db2.gz BJGIPKLSJVIXOE-JSGCOSHPSA-N -1 0 332.404 2.180 20 30 EEEDRM C=CCCC[C@H](NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2)C(=O)[O-] ZINC001588798431 984236041 /nfs/dbraw/zinc/23/60/41/984236041.db2.gz FJOIGMQZUGGTBC-RISCZKNCSA-N -1 0 339.413 2.098 20 30 EEEDRM C=CCN(C(=O)NCc1ccc(OC)c(C(=O)[O-])c1)[C@H](C)COC ZINC001588820893 984287945 /nfs/dbraw/zinc/28/79/45/984287945.db2.gz YOEMYKUIOORNDZ-GFCCVEGCSA-N -1 0 336.388 2.126 20 30 EEEDRM C=CCN1C(=O)N[C@H](c2c(F)cc(C#N)cc2F)C(C(=O)[O-])=C1C ZINC001588832871 984327470 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N#CCN1CCC[C@@H](CNC(=O)c2cccc(C(F)(F)F)c2[O-])C1 ZINC000895410007 684591179 /nfs/dbraw/zinc/59/11/79/684591179.db2.gz BELHTLNAZAPGKI-NSHDSACASA-N -1 0 341.333 2.376 20 30 EEEDRM CCn1c(=O)c2ccc(C(=O)N3CCC(C#N)CC3)cc2[n-]c1=S ZINC000147005139 684955555 /nfs/dbraw/zinc/95/55/55/684955555.db2.gz ASJCLSMUWMRJPP-UHFFFAOYSA-N -1 0 342.424 2.455 20 30 EEEDRM CCN(CCCC(=O)[O-])S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000899940104 693932581 /nfs/dbraw/zinc/93/25/81/693932581.db2.gz VIKZOZDNPGKXJR-UHFFFAOYSA-N -1 0 330.793 2.087 20 30 EEEDRM C=CCCO[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1OC ZINC000893431204 687324545 /nfs/dbraw/zinc/32/45/45/687324545.db2.gz MNVDCUAUZNWVDH-SNVBAGLBSA-N -1 0 347.820 2.135 20 30 EEEDRM O=[N+]([O-])c1ccc([O-])c(/C=N/C[C@@H](O)COc2ccc(F)cc2)c1 ZINC000066887789 688169011 /nfs/dbraw/zinc/16/90/11/688169011.db2.gz BBPKXWUOZHBZDV-GHIJENOOSA-N -1 0 334.303 2.298 20 30 EEEDRM C=CCOC[C@H](NC(=O)[C@H](CC)O[C@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000262996417 688835192 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EEEDRM C[C@H](Oc1ccc(/C=C2/S/C(=N/C3CC3)NC2=O)cc1)C(=O)[O-] ZINC000849252136 979490863 /nfs/dbraw/zinc/49/08/63/979490863.db2.gz QNADXEFUPDSXEZ-ITTMYVLYSA-N -1 0 332.381 2.261 20 30 EEEDRM C[C@@](Cc1ccc(F)cc1)(NC(=O)c1ccc(C#N)c(O)c1)C(=O)[O-] ZINC001592847722 979627032 /nfs/dbraw/zinc/62/70/32/979627032.db2.gz IGAREGOBTQDUHV-SFHVURJKSA-N -1 0 342.326 2.219 20 30 EEEDRM C[C@@H](Cc1ccc(NC(=O)NCC2(C#N)CCOCC2)cc1)C(=O)[O-] ZINC001592867451 979715425 /nfs/dbraw/zinc/71/54/25/979715425.db2.gz QQLTZXLQAYPUAO-ZDUSSCGKSA-N -1 0 345.399 2.392 20 30 EEEDRM C#CCOc1cc(F)ccc1NC(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1 ZINC000872710967 980091118 /nfs/dbraw/zinc/09/11/18/980091118.db2.gz ZLYVWBZEYPIJLS-GXTWGEPZSA-N -1 0 335.331 2.189 20 30 EEEDRM CC[C@@](C)(CC(=O)[O-])NS(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC001594828431 981995595 /nfs/dbraw/zinc/99/55/95/981995595.db2.gz CUHBMLVUYHIZNN-INIZCTEOSA-N -1 0 338.429 2.409 20 30 EEEDRM CCCC[C@H](ON=C(C)C)C(=O)N1CC[C@H](OC)C[C@H]1C(=O)[O-] ZINC001595651006 982015366 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