smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCn1cc(C(C)N=Nc2ccc(Br)cc2F)cn1 ZINC000728431948 1024311523 /nfs/dbraw/zinc/31/15/23/1024311523.db2.gz DXVMBIKUQFHFAA-UHFFFAOYSA-N 0 1 325.185 3.641 20 30 EHEDMN C=CCSc1ccccc1NC(=O)CN(C)[C@H](CC)CSC ZINC000537996315 1032085727 /nfs/dbraw/zinc/08/57/27/1032085727.db2.gz QOTRICSKASDQJG-CQSZACIVSA-N 0 1 338.542 3.977 20 30 EHEDMN C[C@H](NCc1ccc(C#N)c(F)c1)c1ccc(-n2cccn2)c(F)c1 ZINC000339426670 1014405745 /nfs/dbraw/zinc/40/57/45/1014405745.db2.gz WJPIKIREGIAFJD-ZDUSSCGKSA-N 0 1 338.361 3.873 20 30 EHEDMN C#CC[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)C1 ZINC000849344849 979496680 /nfs/dbraw/zinc/49/66/80/979496680.db2.gz RCFXEQSKCVOJDX-SWLSCSKDSA-N 0 1 325.330 3.566 20 30 EHEDMN Cc1cc2[nH]c(CN3CC[C@H](Oc4ccc(C#N)cn4)C3)cc2c(C)c1 ZINC000430180479 1014614091 /nfs/dbraw/zinc/61/40/91/1014614091.db2.gz SSSNUPNSGSYZEK-SFHVURJKSA-N 0 1 346.434 3.705 20 30 EHEDMN C=CC[N@@H+](Cc1cc(C(=O)[O-])c(CC)o1)Cc1ccc(OC)cc1 ZINC000902153760 980760803 /nfs/dbraw/zinc/76/08/03/980760803.db2.gz JWJWBEDUWHLERV-UHFFFAOYSA-N 0 1 329.396 3.737 20 30 EHEDMN C=CC[N@H+](Cc1cc(C(=O)[O-])c(CC)o1)Cc1ccc(OC)cc1 ZINC000902153760 980760806 /nfs/dbraw/zinc/76/08/06/980760806.db2.gz JWJWBEDUWHLERV-UHFFFAOYSA-N 0 1 329.396 3.737 20 30 EHEDMN C=CCN(CC=C)C(=O)CN(C1CC1)C1CC(c2ccccc2C)C1 ZINC000607747006 1014882352 /nfs/dbraw/zinc/88/23/52/1014882352.db2.gz ABCXSGYXKLIWIW-UHFFFAOYSA-N 0 1 338.495 3.906 20 30 EHEDMN Cc1nc(SCC(=O)Nc2ccc(C#N)cc2)[nH]c1-c1ccccc1 ZINC000187146322 1014888869 /nfs/dbraw/zinc/88/88/69/1014888869.db2.gz GSXCWDXHGQPXTK-UHFFFAOYSA-N 0 1 348.431 3.988 20 30 EHEDMN C#CC[C@H]1CC[N@H+](Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)C1 ZINC001588434827 983472914 /nfs/dbraw/zinc/47/29/14/983472914.db2.gz VAVXPGBNRJMVFM-KRWDZBQOSA-N 0 1 349.430 3.809 20 30 EHEDMN C#CC[N@H+](CCOc1ccc(C(=O)[O-])cc1Cl)C1CCCCC1 ZINC001588469984 983503764 /nfs/dbraw/zinc/50/37/64/983503764.db2.gz XRXOBXZPRSCGML-UHFFFAOYSA-N 0 1 335.831 3.685 20 30 EHEDMN C=CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1ccc(Br)cc1Cl ZINC001588729260 983987922 /nfs/dbraw/zinc/98/79/22/983987922.db2.gz PBKWPWRGOSWOFQ-LBPRGKRZSA-N 0 1 332.625 3.564 20 30 EHEDMN C=CC[C@H](C(=O)[O-])[N@@H+]1C[C@H](c2ccc(Br)cc2)C[C@H]1C ZINC001588730211 983997148 /nfs/dbraw/zinc/99/71/48/983997148.db2.gz XJDILRYBIXPYML-UXIGCNINSA-N 0 1 338.245 3.656 20 30 EHEDMN COc1cc([N+](=O)[O-])ccc1CN(Cc1ccc(C#N)cc1)C(C)C ZINC000430213710 1015031521 /nfs/dbraw/zinc/03/15/21/1015031521.db2.gz VBDFBIZHJVGKDH-UHFFFAOYSA-N 0 1 339.395 3.886 20 30 EHEDMN C=CC[C@@H](C(=O)NC[C@H](c1cccs1)N(C)C)c1ccccc1 ZINC000187463899 1015253868 /nfs/dbraw/zinc/25/38/68/1015253868.db2.gz HANGBKKULKTLQZ-IAGOWNOFSA-N 0 1 328.481 3.827 20 30 EHEDMN CC(C)[N@@H+](CCC(C#N)(c1ccccc1)c1ccccc1)CC(=O)[O-] ZINC001591589372 992799094 /nfs/dbraw/zinc/79/90/94/992799094.db2.gz KQFYXHMDWNHVLJ-UHFFFAOYSA-N 0 1 336.435 3.681 20 30 EHEDMN Cc1cc(NC(=O)c2ccc(C#N)c(O)c2)nn1-c1cc(C)cc(C)c1 ZINC000189164697 1016455604 /nfs/dbraw/zinc/45/56/04/1016455604.db2.gz HPYWZCWXCYNVFH-UHFFFAOYSA-N 0 1 346.390 3.627 20 30 EHEDMN CCS[C@@H]1CCCC[C@H]1NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000189487415 1016523364 /nfs/dbraw/zinc/52/33/64/1016523364.db2.gz GPJSEUGVPCBKEQ-HZPDHXFCSA-N 0 1 342.468 3.762 20 30 EHEDMN COc1ccccc1Nc1ncccc1C(=O)C(C#N)c1ccccn1 ZINC000343788289 1032469753 /nfs/dbraw/zinc/46/97/53/1032469753.db2.gz VUEDNWWXJGBYTB-HNNXBMFYSA-N 0 1 344.374 3.719 20 30 EHEDMN C=CCc1ccccc1OC[C@@H](O)CN[C@H](C)c1ccc(F)cc1F ZINC000537086244 1032516218 /nfs/dbraw/zinc/51/62/18/1032516218.db2.gz IYEMBVRPCQCAJA-PBHICJAKSA-N 0 1 347.405 3.784 20 30 EHEDMN C=CCOc1ccccc1CN1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000449427085 1032544442 /nfs/dbraw/zinc/54/44/42/1032544442.db2.gz RVPZXMWQWYTRRQ-PZJWPPBQSA-N 0 1 341.426 3.551 20 30 EHEDMN CN(C)C[C@@H](NCc1cccc(F)c1C#N)c1ccc(Cl)cc1 ZINC000602015682 1032580683 /nfs/dbraw/zinc/58/06/83/1032580683.db2.gz GOTKFDFLYLZWLV-GOSISDBHSA-N 0 1 331.822 3.743 20 30 EHEDMN CC(C)c1nnc(-c2ccccc2NC(=O)c2ccc(F)c(C#N)c2)[nH]1 ZINC000377071131 1017302440 /nfs/dbraw/zinc/30/24/40/1017302440.db2.gz ATTCEYOZTDNBIV-UHFFFAOYSA-N 0 1 349.369 3.858 20 30 EHEDMN N#C[C@H](NS(=O)(=O)c1cc(Cl)sc1Cl)c1ccccc1 ZINC000040365640 1017393000 /nfs/dbraw/zinc/39/30/00/1017393000.db2.gz MMIJPUGGCLLAHV-VIFPVBQESA-N 0 1 347.248 3.598 20 30 EHEDMN N#Cc1ccc(CNCc2cccc(COC3CCOCC3)c2)s1 ZINC000176968397 1017547852 /nfs/dbraw/zinc/54/78/52/1017547852.db2.gz ABOQVQPWLVBPJT-UHFFFAOYSA-N 0 1 342.464 3.605 20 30 EHEDMN N#Cc1cc(Cl)ccc1NCC1(N2CCOCC2)CCCCC1 ZINC000609029750 1017700341 /nfs/dbraw/zinc/70/03/41/1017700341.db2.gz MJJRUJWKCXPUHV-UHFFFAOYSA-N 0 1 333.863 3.659 20 30 EHEDMN COc1ccc(NC(=O)C(C#N)C(=O)C[C@H]2CCC[C@@H](C)C2)cc1 ZINC000122424791 1017830185 /nfs/dbraw/zinc/83/01/85/1017830185.db2.gz QHTPHDWIQFEOEL-JKIFEVAISA-N 0 1 328.412 3.559 20 30 EHEDMN CCCN(Cc1ccc(C#N)cc1)Cc1cc(F)cc2c1OCOC2 ZINC000048565554 1017970270 /nfs/dbraw/zinc/97/02/70/1017970270.db2.gz INCKTYLQKQDIDL-UHFFFAOYSA-N 0 1 340.398 3.976 20 30 EHEDMN CCC(C#N)(CC)C(=O)Nc1cc(CN2CCSCC2)ccc1C ZINC000602251090 1032738751 /nfs/dbraw/zinc/73/87/51/1032738751.db2.gz TYYBFQBBMFZOKJ-UHFFFAOYSA-N 0 1 345.512 3.812 20 30 EHEDMN COc1ccc(/C=C\C(=O)c2ccc(O)cc2O)c(Cl)c1OC ZINC000255134690 1018018508 /nfs/dbraw/zinc/01/85/08/1018018508.db2.gz LJQYRZQIGRXDQB-CLTKARDFSA-N 0 1 334.755 3.665 20 30 EHEDMN C[C@@H](N[C@H](C)c1cccc(C#N)c1)C(=O)Nc1ccc(F)c(F)c1 ZINC000610343446 1018343015 /nfs/dbraw/zinc/34/30/15/1018343015.db2.gz GZIJWGIMKOFQEX-VXGBXAGGSA-N 0 1 329.350 3.514 20 30 EHEDMN CC(C)N1CC[C@@H](NCC2(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549346851 1018456873 /nfs/dbraw/zinc/45/68/73/1018456873.db2.gz CYRGDNZHGQHAJJ-IAGOWNOFSA-N 0 1 335.854 3.896 20 30 EHEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000419369201 1018926570 /nfs/dbraw/zinc/92/65/70/1018926570.db2.gz HGRUGVDTUIUQDS-JJXSEGSLSA-N 0 1 345.512 3.996 20 30 EHEDMN Cc1cc(C#N)ccc1CN1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000614403078 1018980150 /nfs/dbraw/zinc/98/01/50/1018980150.db2.gz AQKXOKWSWBGBFZ-IBGZPJMESA-N 0 1 343.434 3.989 20 30 EHEDMN N#Cc1ccc(CN2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000097941244 1019026576 /nfs/dbraw/zinc/02/65/76/1019026576.db2.gz JPUMHKGOFNGIRT-GOSISDBHSA-N 0 1 329.407 3.680 20 30 EHEDMN N#Cc1ccc(OCCN[C@H](c2ccccc2)c2ccccn2)cc1 ZINC000071090572 1019116124 /nfs/dbraw/zinc/11/61/24/1019116124.db2.gz BKHJIRAAIDNDSJ-OAQYLSRUSA-N 0 1 329.403 3.711 20 30 EHEDMN Cc1ccc2nc(-c3ccc(F)cc3)c(CNCC3(C#N)CC3)n2c1 ZINC000894203605 1019139673 /nfs/dbraw/zinc/13/96/73/1019139673.db2.gz GVYPPKLZQQXAAQ-UHFFFAOYSA-N 0 1 334.398 3.842 20 30 EHEDMN CCc1ccc([C@@H]2CCCN([C@H](C(N)=O)c3ccc(C#N)cc3)C2)cc1 ZINC000513371654 1019590473 /nfs/dbraw/zinc/59/04/73/1019590473.db2.gz PNJJAMKNKMFJOQ-RTWAWAEBSA-N 0 1 347.462 3.527 20 30 EHEDMN Cc1sc(NC(=O)C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)c(C#N)c1C ZINC000182492009 1019691169 /nfs/dbraw/zinc/69/11/69/1019691169.db2.gz LUMUQRNPFHWWLF-PEYYIBSZSA-N 0 1 331.485 3.686 20 30 EHEDMN Cc1sc(NC(=O)CN2C[C@H](C)[C@H]3CCCC[C@@H]32)c(C#N)c1C ZINC000182492009 1019691175 /nfs/dbraw/zinc/69/11/75/1019691175.db2.gz LUMUQRNPFHWWLF-PEYYIBSZSA-N 0 1 331.485 3.686 20 30 EHEDMN CC(C)Oc1ccc([C@@H](C)NCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000182625616 1019703946 /nfs/dbraw/zinc/70/39/46/1019703946.db2.gz VROLTFKUPGCHGC-OAHLLOKOSA-N 0 1 337.423 3.635 20 30 EHEDMN C=CCCC[C@H](C)N1CCN(C(=O)c2ccc(C)c(OC)c2)CC1 ZINC000340755992 1019953184 /nfs/dbraw/zinc/95/31/84/1019953184.db2.gz UJPVXFDTRXBPLZ-KRWDZBQOSA-N 0 1 330.472 3.506 20 30 EHEDMN CCN(Cc1cnc(CCOC)s1)[C@@H](C)c1ccc(C#N)cc1 ZINC000602444153 1032892836 /nfs/dbraw/zinc/89/28/36/1032892836.db2.gz MORVDEGTBKTBJU-AWEZNQCLSA-N 0 1 329.469 3.787 20 30 EHEDMN CCN(Cc1cc(C(=O)OC)c(C)[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC000602446065 1032893232 /nfs/dbraw/zinc/89/32/32/1032893232.db2.gz ZYFXRYUSHIPLGQ-CQSZACIVSA-N 0 1 325.412 3.565 20 30 EHEDMN Cc1ccc(CN[C@@H](CO)c2ccccc2C(F)(F)F)cc1C#N ZINC000933243352 1020800356 /nfs/dbraw/zinc/80/03/56/1020800356.db2.gz POEFOYJKAKMNOB-KRWDZBQOSA-N 0 1 334.341 3.709 20 30 EHEDMN Clc1ccc(CO/N=C/c2ccc(N3CCOCC3)cc2)cc1 ZINC000072809706 1021020854 /nfs/dbraw/zinc/02/08/54/1021020854.db2.gz CAQRYQYGXJINMK-DEDYPNTBSA-N 0 1 330.815 3.727 20 30 EHEDMN Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)C(=O)C=Cc1cncc(F)c1 ZINC000255325370 1021108493 /nfs/dbraw/zinc/10/84/93/1021108493.db2.gz JHAAUCAOHNELOF-MWWKQMNYSA-N 0 1 347.349 3.615 20 30 EHEDMN C=CCCN(C)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000276370564 1021114109 /nfs/dbraw/zinc/11/41/09/1021114109.db2.gz GVEGPIJGLRXFGT-HNNXBMFYSA-N 0 1 343.452 3.527 20 30 EHEDMN C#CCOc1ccccc1CNCc1ccc(OC2CCCC2)nc1 ZINC000069711770 1021121533 /nfs/dbraw/zinc/12/15/33/1021121533.db2.gz RSWHFFQUVUPBBV-UHFFFAOYSA-N 0 1 336.435 3.705 20 30 EHEDMN C=CC[C@H]1CCC[N@H+](Cc2oc(-c3ccccc3)nc2C(=O)[O-])C1 ZINC000656759931 1021281574 /nfs/dbraw/zinc/28/15/74/1021281574.db2.gz LUHOIGNJCCBTPZ-AWEZNQCLSA-N 0 1 326.396 3.828 20 30 EHEDMN C#Cc1ccc(NC(=O)N[C@H](C)c2n[nH]c([C@@H](C)CC)n2)c(Cl)c1 ZINC000933361775 1021367443 /nfs/dbraw/zinc/36/74/43/1021367443.db2.gz LCXNCRVFSKRPHI-WDEREUQCSA-N 0 1 345.834 3.836 20 30 EHEDMN CC(C)(C)c1cnc(C(C#N)C(=O)c2c[nH]nc2-c2ccoc2)s1 ZINC000430633497 1021367899 /nfs/dbraw/zinc/36/78/99/1021367899.db2.gz PTDTUNAYNGOBFX-LLVKDONJSA-N 0 1 340.408 3.914 20 30 EHEDMN N#Cc1cc(Oc2ccc(NC(=O)c3c(O)cccc3F)cc2)ccn1 ZINC000436938066 1021399394 /nfs/dbraw/zinc/39/93/94/1021399394.db2.gz SZFOGVMQXJVJKG-UHFFFAOYSA-N 0 1 349.321 3.843 20 30 EHEDMN N#C[C@@H](NC(=O)c1c(O)cccc1F)c1c(Cl)cccc1Cl ZINC000436976850 1021432856 /nfs/dbraw/zinc/43/28/56/1021432856.db2.gz AVWHRGABZNCJMT-LLVKDONJSA-N 0 1 339.153 3.833 20 30 EHEDMN N#Cc1ccc(C[N@H+](CCO)[C@H]2CCc3ccccc32)c(Cl)c1 ZINC000439454879 1021456016 /nfs/dbraw/zinc/45/60/16/1021456016.db2.gz SSFPGCIREHKDPK-IBGZPJMESA-N 0 1 326.827 3.693 20 30 EHEDMN N#Cc1ccc(CN(CCO)[C@H]2CCc3ccccc32)c(Cl)c1 ZINC000439454879 1021456024 /nfs/dbraw/zinc/45/60/24/1021456024.db2.gz SSFPGCIREHKDPK-IBGZPJMESA-N 0 1 326.827 3.693 20 30 EHEDMN C[C@@H](NCc1cccc(C#N)c1)c1ccc(-n2cncn2)cc1Cl ZINC000151386121 1021471238 /nfs/dbraw/zinc/47/12/38/1021471238.db2.gz CVGYVEVTPBZTQT-CYBMUJFWSA-N 0 1 337.814 3.643 20 30 EHEDMN N#Cc1cccc(CN2CCC(Nc3ccc(F)cc3C#N)CC2)c1 ZINC000593515699 1032986856 /nfs/dbraw/zinc/98/68/56/1032986856.db2.gz RAXXGKJRKPNMKQ-UHFFFAOYSA-N 0 1 334.398 3.646 20 30 EHEDMN N#Cc1ccc(CNC2([C@H]3CCCCO3)CC2)c(Br)c1 ZINC000933376223 1021562648 /nfs/dbraw/zinc/56/26/48/1021562648.db2.gz PYKWVZSFLCRLES-OAHLLOKOSA-N 0 1 335.245 3.512 20 30 EHEDMN C=CCC[C@H](C(=O)N1CCN(C2CCCC2)CC1)c1ccccc1 ZINC000426433046 1021580854 /nfs/dbraw/zinc/58/08/54/1021580854.db2.gz KMHZKZKRPYGVIV-FQEVSTJZSA-N 0 1 326.484 3.823 20 30 EHEDMN CCN(CC)[C@H](CNC(=O)[C@@](C)(C#N)CC)c1ccccc1Cl ZINC000505987587 1021630454 /nfs/dbraw/zinc/63/04/54/1021630454.db2.gz SDCFRWHYMZJKPJ-SJLPKXTDSA-N 0 1 335.879 3.779 20 30 EHEDMN N#CC1(NC(=O)CN2CCCCC[C@H]2c2ccccc2)CCCCC1 ZINC000520043104 1021897612 /nfs/dbraw/zinc/89/76/12/1021897612.db2.gz ZWGCZWPMJGEXDL-IBGZPJMESA-N 0 1 339.483 3.946 20 30 EHEDMN C[C@H](N[C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1cccc(C#N)c1 ZINC000178177772 1021943781 /nfs/dbraw/zinc/94/37/81/1021943781.db2.gz URSITJMLNLEWNJ-STQMWFEESA-N 0 1 346.427 3.513 20 30 EHEDMN N#Cc1ccc(CN2CCC[C@@]3(CCCOC3)C2)c(OC(F)F)c1 ZINC000437843260 1022186623 /nfs/dbraw/zinc/18/66/23/1022186623.db2.gz QVEIOQRJZVDQDR-GOSISDBHSA-N 0 1 336.382 3.552 20 30 EHEDMN C=CCOc1ccc(CN[C@@H]2CCOc3ccc(OC)cc32)cc1 ZINC000341546922 1022239206 /nfs/dbraw/zinc/23/92/06/1022239206.db2.gz MVLPJZHIOFOPIZ-LJQANCHMSA-N 0 1 325.408 3.873 20 30 EHEDMN C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000328722826 1022463657 /nfs/dbraw/zinc/46/36/57/1022463657.db2.gz AFQTXUSQJIKHJA-FZCLSBEQSA-N 0 1 349.519 3.989 20 30 EHEDMN O=C(NC1CCN(Cc2cnc(-c3ccccn3)s2)CC1)C1CC1 ZINC000328986915 1022560977 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C=CCC(C)(C)C(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000550492332 1023988680 /nfs/dbraw/zinc/98/86/80/1023988680.db2.gz VDXJWODIQWEXFA-UHFFFAOYSA-N 0 1 336.520 3.519 20 30 EHEDMN CC[C@H](C(=O)N(C)[C@H](C)c1cccc(C#N)c1)N(C)Cc1ccccc1 ZINC000425119699 1024251015 /nfs/dbraw/zinc/25/10/15/1024251015.db2.gz ZVNNYPZLJOIUCP-DYESRHJHSA-N 0 1 349.478 3.988 20 30 EHEDMN COc1ccc(-c2n[nH]c(CNC(=O)[C@H]3CC34CCCC4)n2)cc1 ZINC000329999044 1024280764 /nfs/dbraw/zinc/28/07/64/1024280764.db2.gz UBHQGDQZARKQEM-CQSZACIVSA-N 0 1 326.400 3.517 20 30 EHEDMN COc1ccc(-c2nc(CNC(=O)[C@H]3CC34CCCC4)n[nH]2)cc1 ZINC000329999044 1024280774 /nfs/dbraw/zinc/28/07/74/1024280774.db2.gz UBHQGDQZARKQEM-CQSZACIVSA-N 0 1 326.400 3.517 20 30 EHEDMN CC(C)n1ncc2c1C[C@@H]([NH+]=C([O-])N(C)[C@H]1CCC[C@@H](C)C1)CC2 ZINC000330108107 1024321013 /nfs/dbraw/zinc/32/10/13/1024321013.db2.gz NCCSSIWBPDIZBR-PVAVHDDUSA-N 0 1 332.492 3.746 20 30 EHEDMN CC(C)c1cc(C(=O)N[C@@H]2CCCc3cn[nH]c32)nn1C(C)(C)C ZINC000330129469 1024328825 /nfs/dbraw/zinc/32/88/25/1024328825.db2.gz OISMGGDJLUUBHV-CYBMUJFWSA-N 0 1 329.448 3.867 20 30 EHEDMN [O-]C(=[NH+][C@@H]1CCn2ccnc2C1)N1CCC[C@@H]1CCC1CCCC1 ZINC000330178649 1024342806 /nfs/dbraw/zinc/34/28/06/1024342806.db2.gz DWAOPXJPQKLTLL-IAGOWNOFSA-N 0 1 330.476 3.547 20 30 EHEDMN O=C(CN[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)NC1CCCCC1 ZINC000330222012 1024360587 /nfs/dbraw/zinc/36/05/87/1024360587.db2.gz RLXPRXMBAQPFAS-SJLPKXTDSA-N 0 1 338.398 3.674 20 30 EHEDMN CCOC(=O)c1csc(C(C#N)C(=O)c2ccc(Cl)c(C)c2)n1 ZINC000346175552 1024490315 /nfs/dbraw/zinc/49/03/15/1024490315.db2.gz AMIRKKFSRXWYKU-NSHDSACASA-N 0 1 348.811 3.772 20 30 EHEDMN CN(CC(=O)N(CCC#N)c1ccccc1)[C@H]1CCCc2ccccc21 ZINC000514483685 1024499939 /nfs/dbraw/zinc/49/99/39/1024499939.db2.gz MAVCOFHNCLGWGE-NRFANRHFSA-N 0 1 347.462 3.943 20 30 EHEDMN C=CCOc1ccc(CN[C@H](C)c2ccnc(OC)c2)cc1OC ZINC000342287862 1024724551 /nfs/dbraw/zinc/72/45/51/1024724551.db2.gz UVKYMVXBEPMRNH-CQSZACIVSA-N 0 1 328.412 3.514 20 30 EHEDMN Cc1cc(C(C#N)=C([O-])c2cccc(C[NH+]3CCCCC3)c2)nc(C)n1 ZINC000514926073 1024894441 /nfs/dbraw/zinc/89/44/41/1024894441.db2.gz QWTPFNLOTKBNCQ-LJQANCHMSA-N 0 1 348.450 3.569 20 30 EHEDMN Cc1cc([C@@H](C#N)C(=O)c2cccc(CN3CCCCC3)c2)nc(C)n1 ZINC000514926073 1024894455 /nfs/dbraw/zinc/89/44/55/1024894455.db2.gz QWTPFNLOTKBNCQ-LJQANCHMSA-N 0 1 348.450 3.569 20 30 EHEDMN COc1ccc(CN[C@@H](C)c2cccc(O)c2)cc1OCCCC#N ZINC000105461384 1024944231 /nfs/dbraw/zinc/94/42/31/1024944231.db2.gz ATPAATHOJVSBND-HNNXBMFYSA-N 0 1 340.423 3.934 20 30 EHEDMN CCN1C[C@H](C)N(C(=O)c2ccccc2-c2ccccc2C#N)C[C@@H]1C ZINC000346765460 1025062180 /nfs/dbraw/zinc/06/21/80/1025062180.db2.gz HJKTWXGLBZEMFM-IRXDYDNUSA-N 0 1 347.462 3.780 20 30 EHEDMN Cc1ccc(CN[C@@H](CO)c2cccc(C(F)(F)F)c2)cc1C#N ZINC000602926310 1033257107 /nfs/dbraw/zinc/25/71/07/1033257107.db2.gz RSEHBUBNELHNQK-KRWDZBQOSA-N 0 1 334.341 3.709 20 30 EHEDMN C#CCOc1ccc(CN[C@@H](c2ccccc2)c2ccncc2)cc1 ZINC000113328967 1025145985 /nfs/dbraw/zinc/14/59/85/1025145985.db2.gz FOLQERNZSAYEPF-QFIPXVFZSA-N 0 1 328.415 3.973 20 30 EHEDMN COc1cc(CNCc2ccccc2N2CCCCC2)ccc1C#N ZINC000281600559 1025258216 /nfs/dbraw/zinc/25/82/16/1025258216.db2.gz FTQLNXHTJZXJFO-UHFFFAOYSA-N 0 1 335.451 3.847 20 30 EHEDMN N#CCCn1cc(C(=O)CN2CC[C@@H](C3CCC3)C2)c2ccccc21 ZINC000665286156 1025334315 /nfs/dbraw/zinc/33/43/15/1025334315.db2.gz GLTWWBNNPWLCAD-QGZVFWFLSA-N 0 1 335.451 3.860 20 30 EHEDMN CC(C)C[C@H](NC(=O)CN1CCC(CCC#N)CC1)c1ccccc1 ZINC000582238932 1025647076 /nfs/dbraw/zinc/64/70/76/1025647076.db2.gz BGVZWUWSXKDHIB-FQEVSTJZSA-N 0 1 341.499 3.906 20 30 EHEDMN COC(=O)c1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)cc1F ZINC000425532754 1025655562 /nfs/dbraw/zinc/65/55/62/1025655562.db2.gz KCDGFBBUYWAXAD-CYBMUJFWSA-N 0 1 326.371 3.677 20 30 EHEDMN CC(C)(c1nc(-c2ccn3cncc3c2)no1)c1cc(F)cc(C#N)c1 ZINC000347215590 1025685254 /nfs/dbraw/zinc/68/52/54/1025685254.db2.gz LLAQUUYSHIUQPJ-UHFFFAOYSA-N 0 1 347.353 3.721 20 30 EHEDMN CSCc1ccccc1NS(=O)(=O)c1cccc(C)c1C#N ZINC000184034921 1025695907 /nfs/dbraw/zinc/69/59/07/1025695907.db2.gz ODWHEMNCAJLTDF-UHFFFAOYSA-N 0 1 332.450 3.531 20 30 EHEDMN C[C@@H]1CN(CCCC2(C#N)CCOCC2)[C@H](c2ccccc2)CO1 ZINC000281921602 1025705870 /nfs/dbraw/zinc/70/58/70/1025705870.db2.gz HIEKEYOAPROUIC-MJGOQNOKSA-N 0 1 328.456 3.549 20 30 EHEDMN CC[C@](C)(C#N)C(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000342488782 1025835353 /nfs/dbraw/zinc/83/53/53/1025835353.db2.gz JZJZPONYXCKEPE-RHSMWYFYSA-N 0 1 330.819 3.820 20 30 EHEDMN CC[C@@](C)(C#N)C(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000342488781 1025836665 /nfs/dbraw/zinc/83/66/65/1025836665.db2.gz JZJZPONYXCKEPE-PBHICJAKSA-N 0 1 330.819 3.820 20 30 EHEDMN CC1(CNC(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)CCCCC1 ZINC000329497413 1025925338 /nfs/dbraw/zinc/92/53/38/1025925338.db2.gz JIQSOTZCHCPKPI-HNNXBMFYSA-N 0 1 345.491 3.746 20 30 EHEDMN C=C[C@H]1CCCCN1C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C ZINC000522055468 1025926016 /nfs/dbraw/zinc/92/60/16/1025926016.db2.gz NCFQKDLXZWFILO-DLBZAZTESA-N 0 1 335.879 3.693 20 30 EHEDMN CCO[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)C[C@H]1C ZINC000451522720 1026073795 /nfs/dbraw/zinc/07/37/95/1026073795.db2.gz BQTLNKBUFQYXNM-WBMJQRKESA-N 0 1 337.261 3.568 20 30 EHEDMN CCO[C@H]1CCN(Cc2ccc(C#N)cc2Br)C[C@H]1C ZINC000451522720 1026073808 /nfs/dbraw/zinc/07/38/08/1026073808.db2.gz BQTLNKBUFQYXNM-WBMJQRKESA-N 0 1 337.261 3.568 20 30 EHEDMN C=CCOc1ccc(CN[C@@H](COC)c2ccc(F)cc2)cc1OC ZINC000530730064 1026235693 /nfs/dbraw/zinc/23/56/93/1026235693.db2.gz QATULEKHFFWBIA-SFHVURJKSA-N 0 1 345.414 3.876 20 30 EHEDMN Cc1cccc(C(=O)N2CCCN(Cc3ccc(C#N)cc3C)CC2)c1 ZINC000186167535 1026302426 /nfs/dbraw/zinc/30/24/26/1026302426.db2.gz FCCMHNUZKNTHAS-UHFFFAOYSA-N 0 1 347.462 3.523 20 30 EHEDMN CN1CCc2ccc(C(=O)[C@H](C#N)c3nc4ccccc4s3)cc21 ZINC000582466218 1026347073 /nfs/dbraw/zinc/34/70/73/1026347073.db2.gz KJTZKQCZAJQPGH-AWEZNQCLSA-N 0 1 333.416 3.779 20 30 EHEDMN CN1CCc2ccc(C(=O)C(C#N)c3nc4ccccc4s3)cc21 ZINC000582466218 1026347081 /nfs/dbraw/zinc/34/70/81/1026347081.db2.gz KJTZKQCZAJQPGH-AWEZNQCLSA-N 0 1 333.416 3.779 20 30 EHEDMN CCN(CCCc1nc(-c2ccc(C)c(F)c2)no1)C[C@@H](C)C#N ZINC000104676247 1026358500 /nfs/dbraw/zinc/35/85/00/1026358500.db2.gz OAYBRUFKQZXZRG-ZDUSSCGKSA-N 0 1 330.407 3.598 20 30 EHEDMN C[C@@H](CC(F)(F)CN)c1nc(-c2ccc(C#N)c3ccccc23)no1 ZINC001211895575 1026451688 /nfs/dbraw/zinc/45/16/88/1026451688.db2.gz GYHSAEUOLXFIIH-NSHDSACASA-N 0 1 342.349 3.849 20 30 EHEDMN COC[C@H]1CCCN(Cc2ccc(C#N)cc2Br)CC1 ZINC000452076929 1026465358 /nfs/dbraw/zinc/46/53/58/1026465358.db2.gz CAEVDRZQLHHLPF-ZDUSSCGKSA-N 0 1 337.261 3.569 20 30 EHEDMN CC(C)(C#N)CCCCN1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000277685096 1026545868 /nfs/dbraw/zinc/54/58/68/1026545868.db2.gz KTOHYJRCHDBVSQ-MOPGFXCFSA-N 0 1 330.472 3.531 20 30 EHEDMN N#Cc1ccc2c(c1)N(C(=O)[C@@H]1CCCCN1Cc1ccccc1)CC2 ZINC000339835332 1026679012 /nfs/dbraw/zinc/67/90/12/1026679012.db2.gz VVKQNKNGIBYFBP-FQEVSTJZSA-N 0 1 345.446 3.502 20 30 EHEDMN C#CCN1CCC(c2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000277730363 1026721565 /nfs/dbraw/zinc/72/15/65/1026721565.db2.gz BGRPKGLCCYRFAL-UHFFFAOYSA-N 0 1 335.329 3.568 20 30 EHEDMN C=CC[C@H]1CCCC[C@@H]1NCc1csc(N(C(C)=O)C2CC2)n1 ZINC000657528786 1026986817 /nfs/dbraw/zinc/98/68/17/1026986817.db2.gz KNJVQBHEUUYPFB-YOEHRIQHSA-N 0 1 333.501 3.883 20 30 EHEDMN C#CCCN1CCN(c2ccc3ccc(Cl)c(Cl)c3n2)CC1 ZINC000302011117 1027023468 /nfs/dbraw/zinc/02/34/68/1027023468.db2.gz YNKDHFKRJZYCAV-UHFFFAOYSA-N 0 1 334.250 3.687 20 30 EHEDMN N#Cc1ccc(C(=O)Nc2ccc3[nH]c(C4CCC4)nc3c2)cc1O ZINC000187791612 1027086580 /nfs/dbraw/zinc/08/65/80/1027086580.db2.gz KJPSDLMUCLYCKC-UHFFFAOYSA-N 0 1 332.363 3.660 20 30 EHEDMN CC1CC(C#N)(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000531809247 1027449113 /nfs/dbraw/zinc/44/91/13/1027449113.db2.gz TUXQPCMBUNLTEJ-KOHRHEQBSA-N 0 1 345.512 3.577 20 30 EHEDMN CC1CC(C#N)(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)C1 ZINC000531809248 1027450371 /nfs/dbraw/zinc/45/03/71/1027450371.db2.gz TUXQPCMBUNLTEJ-WUJZJPHMSA-N 0 1 345.512 3.577 20 30 EHEDMN COCC1(C#N)CCN(Cc2cccc(OC3CCCC3)c2)CC1 ZINC000342839319 1027572702 /nfs/dbraw/zinc/57/27/02/1027572702.db2.gz QGMYYMFWIDLEMM-UHFFFAOYSA-N 0 1 328.456 3.760 20 30 EHEDMN C=CCN(Cc1ccccc1F)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000640557305 1028038825 /nfs/dbraw/zinc/03/88/25/1028038825.db2.gz FQZBPYGMTLLYAA-UHFFFAOYSA-N 0 1 342.418 3.502 20 30 EHEDMN Cc1oc(NC(=O)[C@H](C)N(C)CCCc2ccccc2)c(C#N)c1C ZINC000052802827 1028131425 /nfs/dbraw/zinc/13/14/25/1028131425.db2.gz SIQWWGKLMAOKIP-HNNXBMFYSA-N 0 1 339.439 3.660 20 30 EHEDMN CC(C)(C)CN(CCC#N)C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000246756735 1028687290 /nfs/dbraw/zinc/68/72/90/1028687290.db2.gz ACJLZPYBVFYSIQ-ICSRJNTNSA-N 0 1 344.499 3.703 20 30 EHEDMN Cc1nn(C)cc1C(=O)C(C#N)c1nc(-c2ccc(C)cc2)cs1 ZINC000355631075 1028725908 /nfs/dbraw/zinc/72/59/08/1028725908.db2.gz JAWZBRMSDFWUFV-AWEZNQCLSA-N 0 1 336.420 3.651 20 30 EHEDMN CCN(CCc1ccccc1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000532921345 1029074291 /nfs/dbraw/zinc/07/42/91/1029074291.db2.gz ZICPNHRPTPJPNA-UHFFFAOYSA-N 0 1 341.842 3.715 20 30 EHEDMN COCc1ccc(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)cc1 ZINC000114619310 1029547551 /nfs/dbraw/zinc/54/75/51/1029547551.db2.gz SKVFRNPFPWQGGT-MRXNPFEDSA-N 0 1 349.415 3.842 20 30 EHEDMN COC(=O)c1cccc(CN2CC[C@@](C)(c3ccccc3)C2)c1C#N ZINC000533758668 1029801084 /nfs/dbraw/zinc/80/10/84/1029801084.db2.gz QPHRBBRMAFUTQE-OAQYLSRUSA-N 0 1 334.419 3.508 20 30 EHEDMN CCc1ccc(C(O)=C(C#N)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000080252175 1029886260 /nfs/dbraw/zinc/88/62/60/1029886260.db2.gz MWHLFCVAYXQRMS-ZDUSSCGKSA-N 0 1 334.335 3.524 20 30 EHEDMN C=C(C)[C@@H](NCCC(=O)Nc1ccc(C)cn1)c1ccc(F)c(F)c1 ZINC000447315779 1030088719 /nfs/dbraw/zinc/08/87/19/1030088719.db2.gz SJVMGERBEOKHQC-LJQANCHMSA-N 0 1 345.393 3.904 20 30 EHEDMN Clc1cccc(C#CCN2CCN(CCc3ccccc3)CC2)c1 ZINC000120999093 1030152019 /nfs/dbraw/zinc/15/20/19/1030152019.db2.gz 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/nfs/dbraw/zinc/55/40/49/1120554049.db2.gz FOPLYXUVCJFRKN-UHFFFAOYSA-N 0 1 348.450 3.687 20 30 EHEDMN C=CCN1CC[C@@H](NC(C)(C)c2ccc(Cl)c(Cl)c2)C1=O ZINC000499521678 1128928458 /nfs/dbraw/zinc/92/84/58/1128928458.db2.gz XEVYHNCATVNZMJ-CQSZACIVSA-N 0 1 327.255 3.605 20 30 EHEDMN CN(Cc1ccccc1)Cc1cccc(C(=O)N2CCC(C#N)CC2)c1 ZINC000194843995 1120865438 /nfs/dbraw/zinc/86/54/38/1120865438.db2.gz GVHQMKQVTGCEFB-UHFFFAOYSA-N 0 1 347.462 3.694 20 30 EHEDMN Oc1c(Cl)cc(Cl)cc1/C=N/C[C@H](O)c1ccc(F)cc1 ZINC000032073517 1120896460 /nfs/dbraw/zinc/89/64/60/1120896460.db2.gz PZYMOWWGFKXUBU-RJZHOQSWSA-N 0 1 328.170 3.991 20 30 EHEDMN CN(C)c1cccc(C(=O)[C@H](C#N)c2nc3cc(F)ccc3s2)c1 ZINC000670118811 1120899411 /nfs/dbraw/zinc/89/94/11/1120899411.db2.gz ZVEPPKPLIWCGMM-AWEZNQCLSA-N 0 1 339.395 3.991 20 30 EHEDMN CN(C)c1cccc(C(=O)C(C#N)c2nc3cc(F)ccc3s2)c1 ZINC000670118811 1120899414 /nfs/dbraw/zinc/89/94/14/1120899414.db2.gz ZVEPPKPLIWCGMM-AWEZNQCLSA-N 0 1 339.395 3.991 20 30 EHEDMN N#CC(C(=O)CC1CCSCC1)C(=O)Nc1ccc(Cl)cc1 ZINC000762070483 1121090842 /nfs/dbraw/zinc/09/08/42/1121090842.db2.gz YUKDXNCPXVMIAH-CQSZACIVSA-N 0 1 336.844 3.521 20 30 EHEDMN Cc1[nH]ncc1CNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000915684071 1121583920 /nfs/dbraw/zinc/58/39/20/1121583920.db2.gz ZFESDANHKJZCQT-IBGZPJMESA-N 0 1 345.406 3.695 20 30 EHEDMN Cc1cc(NN=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)nc(C)n1 ZINC000915967363 1121998595 /nfs/dbraw/zinc/99/85/95/1121998595.db2.gz AVOZAJSISJFCTO-UHFFFAOYSA-N 0 1 337.339 3.708 20 30 EHEDMN Cn1c(NN=Cc2ccccc2C(F)(F)F)nnc1-c1ccccc1 ZINC000915968805 1121999689 /nfs/dbraw/zinc/99/96/89/1121999689.db2.gz KVOXKIGRTYHKAN-UHFFFAOYSA-N 0 1 345.328 3.947 20 30 EHEDMN CC(=NN=c1[nH]c2ccccc2n1C)c1ccc(-n2cccn2)cc1 ZINC000915971320 1122001041 /nfs/dbraw/zinc/00/10/41/1122001041.db2.gz OFIYSKBVOFCOFS-UHFFFAOYSA-N 0 1 330.395 3.595 20 30 EHEDMN C[C@H](c1cccc(C#N)c1)N(C)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000496563264 1122119997 /nfs/dbraw/zinc/11/99/97/1122119997.db2.gz GXZNZBIQFGLTCP-DNVCBOLYSA-N 0 1 335.407 3.576 20 30 EHEDMN C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1Cc1ccc(C#N)c(F)c1 ZINC000496766675 1122179788 /nfs/dbraw/zinc/17/97/88/1122179788.db2.gz MXLCYCDWKSHHNL-BBRMVZONSA-N 0 1 347.434 3.575 20 30 EHEDMN C=C(C)COc1cccc(NC(=O)N2C[C@@H](C)N(CC)C[C@H]2C)c1 ZINC000499579038 1129040834 /nfs/dbraw/zinc/04/08/34/1129040834.db2.gz LTEKTASJTPTHBY-HZPDHXFCSA-N 0 1 331.460 3.588 20 30 EHEDMN C=C[C@@H](CC(=O)NC[C@@H](c1cccc(F)c1)N(C)C)c1ccccc1 ZINC000124803568 1122295991 /nfs/dbraw/zinc/29/59/91/1122295991.db2.gz FVCQHQJJLASUPW-JXFKEZNVSA-N 0 1 340.442 3.905 20 30 EHEDMN CCCCCCNC(=O)C(C#N)C(=O)CSc1ccc(C)cc1C ZINC000916876338 1122377324 /nfs/dbraw/zinc/37/73/24/1122377324.db2.gz ZOWXCYCFNFNZGW-INIZCTEOSA-N 0 1 346.496 3.801 20 30 EHEDMN N#CC(C(=O)NC1CCCCC1)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000916895937 1122388299 /nfs/dbraw/zinc/38/82/99/1122388299.db2.gz XRXLNKKISRKDTL-SCRDCRAPSA-N 0 1 344.377 3.513 20 30 EHEDMN C=CCNC(=O)[C@H](C)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000126726181 1122421424 /nfs/dbraw/zinc/42/14/24/1122421424.db2.gz UADAZBMTTCONIH-IFXJQAMLSA-N 0 1 344.405 3.529 20 30 EHEDMN CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCCN2CC2(C#N)CC2)C1 ZINC000497283231 1122434472 /nfs/dbraw/zinc/43/44/72/1122434472.db2.gz NHVPHJNXCLKKPC-DLBZAZTESA-N 0 1 347.503 3.792 20 30 EHEDMN CCN(CC(=O)NCCc1ccccc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000497617187 1122611096 /nfs/dbraw/zinc/61/10/96/1122611096.db2.gz BVPQYXWMJDWXDY-SFHVURJKSA-N 0 1 349.478 3.609 20 30 EHEDMN C(=NNc1ccc(-n2cccn2)nn1)c1cc(-c2ccccc2)cs1 ZINC000917544750 1122627222 /nfs/dbraw/zinc/62/72/22/1122627222.db2.gz FYUFJYWHXXPIOH-UHFFFAOYSA-N 0 1 346.419 3.837 20 30 EHEDMN CO[C@H](C)C(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000918491676 1122823893 /nfs/dbraw/zinc/82/38/93/1122823893.db2.gz FBKVYHMDUFTIDL-VXNVDRBHSA-N 0 1 328.315 3.526 20 30 EHEDMN COc1ccc(OCc2nc(C=N[N-]c3cccc[nH+]3)cs2)cc1 ZINC000920365391 1123361117 /nfs/dbraw/zinc/36/11/17/1123361117.db2.gz VQHHSFKGCLRGTH-UHFFFAOYSA-N 0 1 340.408 3.572 20 30 EHEDMN Brc1ccc2c(c1)C(N=Nc1cnccn1)CCS2 ZINC000920375682 1123361971 /nfs/dbraw/zinc/36/19/71/1123361971.db2.gz OAXAGWIXTADWRQ-UHFFFAOYSA-N 0 1 335.230 3.551 20 30 EHEDMN N#C[C@H](NC(=O)c1[nH]nc2c1CCCC2)c1c(Cl)cccc1Cl ZINC000609589306 1123617382 /nfs/dbraw/zinc/61/73/82/1123617382.db2.gz ZGFYYLVOMUAVEH-ZDUSSCGKSA-N 0 1 349.221 3.590 20 30 EHEDMN CCN(CC)Cc1ccc(C(=O)N[C@@](C)(C#N)C2CCCCC2)o1 ZINC000609637956 1123630692 /nfs/dbraw/zinc/63/06/92/1123630692.db2.gz FFWXVJQSHUAMEM-IBGZPJMESA-N 0 1 331.460 3.714 20 30 EHEDMN Cc1n[nH]c(C(C)C)c1C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000136268289 1123681793 /nfs/dbraw/zinc/68/17/93/1123681793.db2.gz VIEDHLIZUBMVCQ-UHFFFAOYSA-N 0 1 344.418 3.889 20 30 EHEDMN O=C1[C@@H](/N=C/c2cc(Cl)cc(Cl)c2O)CCN1c1ccccc1 ZINC000068042024 1123812717 /nfs/dbraw/zinc/81/27/17/1123812717.db2.gz RPCRMXMYALLDFD-VYXQJKENSA-N 0 1 349.217 3.923 20 30 EHEDMN C[C@@H](C#N)Oc1ccc(CNCc2ccccc2OC(F)F)cc1 ZINC000237703069 1123815418 /nfs/dbraw/zinc/81/54/18/1123815418.db2.gz HBLOIQSJILAIMY-ZDUSSCGKSA-N 0 1 332.350 3.869 20 30 EHEDMN C#CCN1CCC(C(=O)Nc2nc3c(ccc4ccccc34)s2)CC1 ZINC000068918718 1124058426 /nfs/dbraw/zinc/05/84/26/1124058426.db2.gz DAZAAENQSMHWQN-UHFFFAOYSA-N 0 1 349.459 3.733 20 30 EHEDMN COc1ccc(CN2C[C@H](C)S[C@@H](C)C2)cc1OCCCC#N ZINC000092541225 1125126202 /nfs/dbraw/zinc/12/62/02/1125126202.db2.gz XIYCPFDEQHXQTB-GJZGRUSLSA-N 0 1 334.485 3.704 20 30 EHEDMN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cnc([C@@H]2CCCO2)s1 ZINC000618743014 1125179747 /nfs/dbraw/zinc/17/97/47/1125179747.db2.gz UVBKGHKYILBDJA-IRXDYDNUSA-N 0 1 325.437 3.643 20 30 EHEDMN N#C[C@@H](c1ccc(F)cc1)N1CCN([C@@H]2CCc3ccccc32)CC1 ZINC000618754193 1125191252 /nfs/dbraw/zinc/19/12/52/1125191252.db2.gz KBKZFFIZMKCGGT-RTWAWAEBSA-N 0 1 335.426 3.695 20 30 EHEDMN N#C[C@H](c1ccc(F)cc1)N1CCN([C@H]2CCc3ccccc32)CC1 ZINC000618754191 1125191386 /nfs/dbraw/zinc/19/13/86/1125191386.db2.gz KBKZFFIZMKCGGT-LEWJYISDSA-N 0 1 335.426 3.695 20 30 EHEDMN CCCCOc1ccccc1NS(=O)(=O)c1cccc(CC#N)c1 ZINC000619462108 1125350789 /nfs/dbraw/zinc/35/07/89/1125350789.db2.gz CWMSKNJSNBAREC-UHFFFAOYSA-N 0 1 344.436 3.732 20 30 EHEDMN Cc1cc(C#N)ccc1CN[C@@H](C)c1ccc(Br)cn1 ZINC000619512465 1125355152 /nfs/dbraw/zinc/35/51/52/1125355152.db2.gz DOOPOBHNIIMPOY-LBPRGKRZSA-N 0 1 330.229 3.875 20 30 EHEDMN CCCCc1nc2ccc(NC(=O)c3ccc(C#N)c(C)n3)cc2[nH]1 ZINC000068258966 1129356676 /nfs/dbraw/zinc/35/66/76/1129356676.db2.gz XXQOAYSVGHOMRI-UHFFFAOYSA-N 0 1 333.395 3.733 20 30 EHEDMN COc1ccc(C)cc1CC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000735790893 1131380054 /nfs/dbraw/zinc/38/00/54/1131380054.db2.gz RRYKKQXFVHCCGN-OAHLLOKOSA-N 0 1 333.391 3.607 20 30 EHEDMN CCOc1ccc(OCC(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)cc1 ZINC000735791228 1131379125 /nfs/dbraw/zinc/37/91/25/1131379125.db2.gz WNJVXMVBHKHOEW-INIZCTEOSA-N 0 1 349.390 3.525 20 30 EHEDMN Cc1cccc(O[C@@H](C)C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)c1 ZINC000735791596 1131379528 /nfs/dbraw/zinc/37/95/28/1131379528.db2.gz UCVGCNMBVDBYAN-HOCLYGCPSA-N 0 1 333.391 3.824 20 30 EHEDMN Cc1ccc(-c2n[nH]c(NC(=O)[C@@H]3COc4ccccc4C3)n2)cc1 ZINC000070724651 1129522430 /nfs/dbraw/zinc/52/24/30/1129522430.db2.gz BEIPOJDZELJICH-HNNXBMFYSA-N 0 1 334.379 3.619 20 30 EHEDMN Cc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccco3)n[nH]2)cc1C ZINC000073974311 1129872814 /nfs/dbraw/zinc/87/28/14/1129872814.db2.gz PJZQTTRCYZCQHQ-UHFFFAOYSA-N 0 1 338.367 3.933 20 30 EHEDMN N#CC(C(=O)c1ccnc(Cl)c1)c1nc2cc(F)ccc2s1 ZINC000730419600 1130707862 /nfs/dbraw/zinc/70/78/62/1130707862.db2.gz BSGWITKINXGLSR-JTQLQIEISA-N 0 1 331.759 3.974 20 30 EHEDMN N#C[C@@H](C(=O)c1ccnc(Cl)c1)c1nc2cc(F)ccc2s1 ZINC000730419600 1130707866 /nfs/dbraw/zinc/70/78/66/1130707866.db2.gz BSGWITKINXGLSR-JTQLQIEISA-N 0 1 331.759 3.974 20 30 EHEDMN COc1cc(C)c(C(C)=NN=c2[nH]c3ccccc3n2C)cc1OC ZINC000731313662 1130785207 /nfs/dbraw/zinc/78/52/07/1130785207.db2.gz DMSIWXOGCHMSCT-UHFFFAOYSA-N 0 1 338.411 3.735 20 30 EHEDMN CC(=NNc1ccccc1S(C)(=O)=O)c1ccc(F)c(Cl)c1 ZINC000731933421 1130865909 /nfs/dbraw/zinc/86/59/09/1130865909.db2.gz MRRMCLIVSIVMHS-UHFFFAOYSA-N 0 1 340.807 3.719 20 30 EHEDMN CS(=O)(=O)c1ccccc1N=NCc1cccc(C(F)(F)F)c1 ZINC000731935514 1130866942 /nfs/dbraw/zinc/86/69/42/1130866942.db2.gz CQNRGPDZOSFVIM-UHFFFAOYSA-N 0 1 342.342 3.555 20 30 EHEDMN CCc1cc(CNc2cc(C)c(C#N)c3nc4ccccc4n32)n[nH]1 ZINC000732921028 1130970083 /nfs/dbraw/zinc/97/00/83/1130970083.db2.gz SZIXAJLYDKGMGH-UHFFFAOYSA-N 0 1 330.395 3.565 20 30 EHEDMN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCCC(C)(C)C2)cc1 ZINC000732984301 1130978652 /nfs/dbraw/zinc/97/86/52/1130978652.db2.gz INVHHQDKHIYHJV-KRWDZBQOSA-N 0 1 327.472 3.752 20 30 EHEDMN C[C@@H]1CN(Cc2ccccn2)CCC1N=Nc1ccc2ccccc2n1 ZINC000734361355 1131225056 /nfs/dbraw/zinc/22/50/56/1131225056.db2.gz BHYIEZNXTDJIFM-MRXNPFEDSA-N 0 1 345.450 3.940 20 30 EHEDMN N#Cc1ccc(NCc2n[nH]c(-c3ccccc3)n2)c(C(F)(F)F)c1 ZINC000737402772 1131447986 /nfs/dbraw/zinc/44/79/86/1131447986.db2.gz POJOPHCIQDMDDE-UHFFFAOYSA-N 0 1 343.312 3.974 20 30 EHEDMN N#Cc1ccc(NCc2nc(-c3ccccc3)n[nH]2)c(C(F)(F)F)c1 ZINC000737402772 1131447990 /nfs/dbraw/zinc/44/79/90/1131447990.db2.gz POJOPHCIQDMDDE-UHFFFAOYSA-N 0 1 343.312 3.974 20 30 EHEDMN COc1ccc(CCNN=C(C)c2[nH]c(-c3ccccc3)nc2C)cc1 ZINC000737440082 1131448489 /nfs/dbraw/zinc/44/84/89/1131448489.db2.gz BUYPTUFDPUOEKS-UHFFFAOYSA-N 0 1 348.450 3.950 20 30 EHEDMN COC(=O)[C@H](c1ccc(C#N)cc1)N1C[C@H](c2ccccc2C)C[C@H]1C ZINC000739913380 1131516893 /nfs/dbraw/zinc/51/68/93/1131516893.db2.gz AUWSWOUSUYBSJM-BSIFCXSSSA-N 0 1 348.446 3.959 20 30 EHEDMN C=CCCCCCN(C)C(=O)Nc1ccccc1N1CCN(C)CC1 ZINC000740023168 1131519987 /nfs/dbraw/zinc/51/99/87/1131519987.db2.gz NMLGWRVFZKSJPE-UHFFFAOYSA-N 0 1 344.503 3.649 20 30 EHEDMN C[C@@H](CCCC#N)N1Cc2ncn(C)c2[C@@H](COCC2CCCC2)C1 ZINC001172495250 1131758782 /nfs/dbraw/zinc/75/87/82/1131758782.db2.gz CNXYBKZLMCOBBN-FUHWJXTLSA-N 0 1 344.503 3.608 20 30 EHEDMN N#Cc1ccc(N2CCN([C@H]3Cc4ccc(Cl)cc4C3)CC2)cc1 ZINC001172720653 1131822468 /nfs/dbraw/zinc/82/24/68/1131822468.db2.gz 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337.162 3.856 20 30 EHEDMN CC(C)(C)OC(=O)N1CCC12CCN(Cc1cc(C#N)cs1)CC2 ZINC000496103747 1121685321 /nfs/dbraw/zinc/68/53/21/1121685321.db2.gz MPXAJUGLBONASI-UHFFFAOYSA-N 0 1 347.484 3.595 20 30 EHEDMN N#Cc1ccc([C@@H](O)CN2CCC(=Cc3ccccc3F)CC2)cc1 ZINC000763240476 1121918120 /nfs/dbraw/zinc/91/81/20/1121918120.db2.gz HMFJRLFAZQHJSE-NRFANRHFSA-N 0 1 336.410 3.910 20 30 EHEDMN N#CCCn1cc(C=NN=c2[nH]c3ccccc3[nH]2)c2ccccc21 ZINC000915915436 1121982040 /nfs/dbraw/zinc/98/20/40/1121982040.db2.gz IRDKQAUZXIJRFY-UHFFFAOYSA-N 0 1 328.379 3.877 20 30 EHEDMN N#Cc1cccc(COc2cccc(C=NNc3ccccn3)c2)c1 ZINC000915944627 1121990092 /nfs/dbraw/zinc/99/00/92/1121990092.db2.gz SXQQQJPJIKNQOZ-UHFFFAOYSA-N 0 1 328.375 3.978 20 30 EHEDMN COCCOc1ccc(C(C)N=Nc2ccccc2F)cc1OC ZINC000915958071 1121992355 /nfs/dbraw/zinc/99/23/55/1121992355.db2.gz KYPXOSYWIKURAX-UHFFFAOYSA-N 0 1 332.375 3.696 20 30 EHEDMN Cc1cc(NN=Cc2cc(Cl)ccc2OC(F)F)nc(C)n1 ZINC000915970969 1122000830 /nfs/dbraw/zinc/00/08/30/1122000830.db2.gz 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1129278030 /nfs/dbraw/zinc/27/80/30/1129278030.db2.gz BQYJJKKYTGQGFC-MRXNPFEDSA-N 0 1 343.402 3.509 20 30 EHEDMN COc1cc(CN2CCC(OCc3ccccc3)CC2)ccc1C#N ZINC000374210439 1129381616 /nfs/dbraw/zinc/38/16/16/1129381616.db2.gz LBKNCLDBHYOANP-UHFFFAOYSA-N 0 1 336.435 3.748 20 30 EHEDMN Cc1cccc2[nH]c(C(C#N)C(=O)[C@H]3Cc4ccccc4S3)nc21 ZINC000735791186 1131379981 /nfs/dbraw/zinc/37/99/81/1131379981.db2.gz VXGNXRSCMVSVNQ-CZUORRHYSA-N 0 1 333.416 3.765 20 30 EHEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@H]3Cc4ccccc4S3)[nH]c21 ZINC000735791186 1131379983 /nfs/dbraw/zinc/37/99/83/1131379983.db2.gz VXGNXRSCMVSVNQ-CZUORRHYSA-N 0 1 333.416 3.765 20 30 EHEDMN CC(C)COc1cccc(CNCc2cnc3ccc(C#N)cn23)c1 ZINC000123439936 1129528438 /nfs/dbraw/zinc/52/84/38/1129528438.db2.gz FGXZNGGIESDEHG-UHFFFAOYSA-N 0 1 334.423 3.531 20 30 EHEDMN Cc1cccn2c(CN3CCC(Oc4cccc(C#N)c4)CC3)cnc12 ZINC000092034349 1129530926 /nfs/dbraw/zinc/53/09/26/1129530926.db2.gz HSYCXLQASCYKSC-UHFFFAOYSA-N 0 1 346.434 3.558 20 30 EHEDMN COc1ccc(CCC(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)cc1 ZINC000735793592 1131380647 /nfs/dbraw/zinc/38/06/47/1131380647.db2.gz WJZQPWQVWIWIEE-MRXNPFEDSA-N 0 1 333.391 3.689 20 30 EHEDMN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1csc(C(C)(C)C)n1 ZINC000338862532 1129575856 /nfs/dbraw/zinc/57/58/56/1129575856.db2.gz RDEAEYSGLURAOK-NSHDSACASA-N 0 1 338.436 3.817 20 30 EHEDMN Cn1c2ccccc2nc1C(C#N)C(=O)c1csc(C(C)(C)C)n1 ZINC000338862532 1129575859 /nfs/dbraw/zinc/57/58/59/1129575859.db2.gz RDEAEYSGLURAOK-NSHDSACASA-N 0 1 338.436 3.817 20 30 EHEDMN N#Cc1c(F)cccc1CN[C@@H]1c2ccccc2CC12CCOCC2 ZINC000428937597 1129620540 /nfs/dbraw/zinc/62/05/40/1129620540.db2.gz FWPPEWIRATWJKL-HXUWFJFHSA-N 0 1 336.410 3.881 20 30 EHEDMN CCN(CC(=O)N(CC(C)C)C1CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000125748534 1129713184 /nfs/dbraw/zinc/71/31/84/1129713184.db2.gz HSRPIOFUZSDUQH-INIZCTEOSA-N 0 1 327.472 3.588 20 30 EHEDMN C=CCc1ccccc1OC[C@H](O)CN1CCc2sccc2[C@@H]1C ZINC000674276305 1130055984 /nfs/dbraw/zinc/05/59/84/1130055984.db2.gz OWDGLRFYVAFQHN-DOTOQJQBSA-N 0 1 343.492 3.836 20 30 EHEDMN N#Cc1ccc(CSCC(=O)Nc2cccc(Cl)c2O)cc1 ZINC000172108874 1130106784 /nfs/dbraw/zinc/10/67/84/1130106784.db2.gz RTOKOAGVFLREOZ-UHFFFAOYSA-N 0 1 332.812 3.789 20 30 EHEDMN C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cccc(C#N)c1 ZINC000245971028 1130335363 /nfs/dbraw/zinc/33/53/63/1130335363.db2.gz ZQTRUBKJXLPLMV-QZTJIDSGSA-N 0 1 349.478 3.630 20 30 EHEDMN C[C@@H](N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cccc(C#N)c1 ZINC000174358727 1130353362 /nfs/dbraw/zinc/35/33/62/1130353362.db2.gz AFZXVEMIVODIAE-ACJLOTCBSA-N 0 1 339.826 3.668 20 30 EHEDMN CCc1oc2ccccc2c1C=Nn1c(=O)c2ccccc2[nH]c1=S ZINC000730582447 1130719927 /nfs/dbraw/zinc/71/99/27/1130719927.db2.gz WLCJMRSDGYLBDJ-UHFFFAOYSA-N 0 1 349.415 3.876 20 30 EHEDMN C[C@@H](CC#N)Sc1ccccc1NC(=S)NC[C@H]1CCCO1 ZINC000731321242 1130786111 /nfs/dbraw/zinc/78/61/11/1130786111.db2.gz OPVANLSEVKCIFK-QWHCGFSZSA-N 0 1 335.498 3.546 20 30 EHEDMN CCCCCCN(C)CC(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000731894529 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CC[C@@H](CC1CCCC1)C(=O)OCC(=O)C(C#N)c1nc(C)cs1 ZINC000734053068 1131190346 /nfs/dbraw/zinc/19/03/46/1131190346.db2.gz OJTIVUUEUSXBDV-LSDHHAIUSA-N 0 1 348.468 3.778 20 30 EHEDMN CC(=NNc1cc(F)c(F)cc1F)c1nnn(-c2ccccc2)c1C ZINC000734302422 1131217229 /nfs/dbraw/zinc/21/72/29/1131217229.db2.gz CRMMKYSMHPXLMM-UHFFFAOYSA-N 0 1 345.328 3.829 20 30 EHEDMN C[C@H]1CN(Cc2ccccn2)CCC1N=Nc1ccc2ccccc2n1 ZINC000734361353 1131224928 /nfs/dbraw/zinc/22/49/28/1131224928.db2.gz BHYIEZNXTDJIFM-INIZCTEOSA-N 0 1 345.450 3.940 20 30 EHEDMN C[C@H](C#N)Oc1ccc(CN[C@H](Cn2cccn2)c2ccccc2)cc1 ZINC000741257522 1131590410 /nfs/dbraw/zinc/59/04/10/1131590410.db2.gz FCMVGXORSFTSCL-DYESRHJHSA-N 0 1 346.434 3.705 20 30 EHEDMN N#Cc1ccc(F)c(CNCc2ccc(OCc3ccncc3)cc2)c1 ZINC000742381732 1131713083 /nfs/dbraw/zinc/71/30/83/1131713083.db2.gz GOQYDRDZBBIAIL-UHFFFAOYSA-N 0 1 347.393 3.961 20 30 EHEDMN Cc1nn(C)c2nc(Cl)c(CN[C@@H](C)c3cccc(C#N)c3)cc12 ZINC000743495197 1131933137 /nfs/dbraw/zinc/93/31/37/1131933137.db2.gz 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/nfs/dbraw/zinc/98/95/65/1038989565.db2.gz CHUIIKGABUBELK-LJQANCHMSA-N 0 1 326.827 3.703 20 30 EHEDMN Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)c1ccc(O)cc1O ZINC000149014707 1039063259 /nfs/dbraw/zinc/06/32/59/1039063259.db2.gz ROSQILFFMCEEAR-ZHACJKMWSA-N 0 1 334.375 3.796 20 30 EHEDMN C=CCc1cc(OCC)cc(CN2CCC[C@H]2c2ccnn2C)c1O ZINC000905739209 1039073119 /nfs/dbraw/zinc/07/31/19/1039073119.db2.gz GZKHFGWJICVANV-IBGZPJMESA-N 0 1 341.455 3.590 20 30 EHEDMN Cc1c2cc(C#N)ccc2sc1C(=O)NCCN1CCCC[C@@H]1C ZINC000429824237 1039271205 /nfs/dbraw/zinc/27/12/05/1039271205.db2.gz DIGGYTVXNWTROF-ZDUSSCGKSA-N 0 1 341.480 3.686 20 30 EHEDMN C[C@H](Oc1ccccc1)C(=O)C(C#N)c1nc(-c2ccncc2)cs1 ZINC000128847059 1039336578 /nfs/dbraw/zinc/33/65/78/1039336578.db2.gz DJJNUFYDUGRRIS-XJKSGUPXSA-N 0 1 349.415 3.849 20 30 EHEDMN CC(C)C[C@@H](C)CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC001167741585 1039424536 /nfs/dbraw/zinc/42/45/36/1039424536.db2.gz UBVIKYGUNHHNJK-OAHLLOKOSA-N 0 1 342.443 3.610 20 30 EHEDMN C=CCn1cccc1C(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000488856187 1039439613 /nfs/dbraw/zinc/43/96/13/1039439613.db2.gz OYWQCBZHGDVMIL-QGZVFWFLSA-N 0 1 334.423 3.836 20 30 EHEDMN C=CC1CCN(Cc2nc3ccc(Br)cc3n2C)CC1 ZINC000485847455 1039612667 /nfs/dbraw/zinc/61/26/67/1039612667.db2.gz OQZLRXUCNOKPNP-UHFFFAOYSA-N 0 1 334.261 3.734 20 30 EHEDMN COc1c(F)cccc1CN1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001143533429 1039690353 /nfs/dbraw/zinc/69/03/53/1039690353.db2.gz AFNQZSYZABAWON-GOSISDBHSA-N 0 1 340.398 3.749 20 30 EHEDMN CCN(CCC#N)C(=O)CN(CC)C(c1ccccc1)c1ccccc1 ZINC000553085265 1039751686 /nfs/dbraw/zinc/75/16/86/1039751686.db2.gz DKGTVGJFCOLEOU-UHFFFAOYSA-N 0 1 349.478 3.860 20 30 EHEDMN Cc1ccc(N(CCC#N)C(=O)CN2C[C@H](C)C[C@H](C)C2)cc1C ZINC000028905314 1039876566 /nfs/dbraw/zinc/87/65/66/1039876566.db2.gz XWAJTXMMDXLMNY-IYBDPMFKSA-N 0 1 327.472 3.528 20 30 EHEDMN N#CC1CC[NH+](Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000893983953 1039937919 /nfs/dbraw/zinc/93/79/19/1039937919.db2.gz IFQHHHIXUQYDLQ-UHFFFAOYSA-N 0 1 329.625 3.544 20 30 EHEDMN CCOc1cccc(/C=N/C[C@H](C)N2CCc3sccc3C2)c1O ZINC000031854480 1039964847 /nfs/dbraw/zinc/96/48/47/1039964847.db2.gz JPTQVGDIZGHYIP-PVGUKEHMSA-N 0 1 344.480 3.718 20 30 EHEDMN C=C1CC(C)(C(=O)N[C@H]2CCc3nc(C4CCCCC4)[nH]c3C2)C1 ZINC000907810629 1040178516 /nfs/dbraw/zinc/17/85/16/1040178516.db2.gz PTBZTWQYMOGUDM-HNNXBMFYSA-N 0 1 327.472 3.787 20 30 EHEDMN CCc1oc(C(=O)C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1C ZINC000162466496 1040198480 /nfs/dbraw/zinc/19/84/80/1040198480.db2.gz YNRGFGQPRVXHLQ-NSHDSACASA-N 0 1 348.761 3.904 20 30 EHEDMN COc1ccccc1N1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614160306 1040318509 /nfs/dbraw/zinc/31/85/09/1040318509.db2.gz ZCKRACYEEUPLHZ-UHFFFAOYSA-N 0 1 349.478 3.819 20 30 EHEDMN C[C@@H]1CN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H]1c1ccccc1 ZINC000490055359 1040328708 /nfs/dbraw/zinc/32/87/08/1040328708.db2.gz BTHLSTUCPLNUFM-TYCQWZJGSA-N 0 1 345.446 3.747 20 30 EHEDMN Cc1nc(-c2ccccc2)[nH]c1C(=O)C=Cc1c2c(nn1C)CCC2 ZINC000899348237 1040364754 /nfs/dbraw/zinc/36/47/54/1040364754.db2.gz TWBBBAQFSABWCF-QXMHVHEDSA-N 0 1 332.407 3.503 20 30 EHEDMN CC(C)(C#N)c1ccc(CNC2(c3ccc4c(c3)OCO4)CC2)cc1 ZINC000614179588 1040395645 /nfs/dbraw/zinc/39/56/45/1040395645.db2.gz SQIOUOGCBOZQLC-UHFFFAOYSA-N 0 1 334.419 3.995 20 30 EHEDMN N#Cc1cc(CN2CCC(COc3ccc(Cl)nc3)CC2)cs1 ZINC000894107897 1040556055 /nfs/dbraw/zinc/55/60/55/1040556055.db2.gz LRUMTEKAKFNJAC-UHFFFAOYSA-N 0 1 347.871 3.959 20 30 EHEDMN C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000908653193 1040557949 /nfs/dbraw/zinc/55/79/49/1040557949.db2.gz UAKDQXTYTXJNHY-QGZVFWFLSA-N 0 1 329.444 3.597 20 30 EHEDMN C=C(C)C[N@H+](C)CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000481278142 1040598232 /nfs/dbraw/zinc/59/82/32/1040598232.db2.gz BMJYFNOMCKUPNJ-OAQYLSRUSA-N 0 1 334.463 3.669 20 30 EHEDMN C=C(C)CN(C)CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000481278142 1040598242 /nfs/dbraw/zinc/59/82/42/1040598242.db2.gz BMJYFNOMCKUPNJ-OAQYLSRUSA-N 0 1 334.463 3.669 20 30 EHEDMN C=CCOc1ccc(CN2CCC(c3ccon3)CC2)cc1OC ZINC000668714004 1040601373 /nfs/dbraw/zinc/60/13/73/1040601373.db2.gz HETFLGYSDWXNQX-UHFFFAOYSA-N 0 1 328.412 3.628 20 30 EHEDMN C[C@@H](C[N@H+](CC#Cc1ccc(F)cc1)[C@@H](C)CO)c1ccccc1 ZINC000553945340 1040615184 /nfs/dbraw/zinc/61/51/84/1040615184.db2.gz WGYATESSHWEXRS-ROUUACIJSA-N 0 1 325.427 3.664 20 30 EHEDMN CCc1ccc([C@@H]2CCN([C@@H](C)C(=O)Nc3ccccc3C#N)C2)cc1 ZINC000433076082 1040653095 /nfs/dbraw/zinc/65/30/95/1040653095.db2.gz MLTVEDMMPXDERI-OXJNMPFZSA-N 0 1 347.462 3.937 20 30 EHEDMN Cc1ccc(S[C@H](C)C(=O)Nc2nc(-c3ccccn3)n[nH]2)cc1 ZINC000053525039 1040724222 /nfs/dbraw/zinc/72/42/22/1040724222.db2.gz XLHHOCSJVKOOMR-GFCCVEGCSA-N 0 1 339.424 3.944 20 30 EHEDMN N#Cc1ccc2nc(-c3ccc(Br)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000123219490 1040782426 /nfs/dbraw/zinc/78/24/26/1040782426.db2.gz XVEDDTQUIHDBFL-UHFFFAOYSA-N 0 1 343.140 3.772 20 30 EHEDMN N#Cc1ccc2ncc(CN3CCC(Cc4ccc(F)cc4)CC3)n2c1 ZINC000512759793 1040782864 /nfs/dbraw/zinc/78/28/64/1040782864.db2.gz XTQZHTMMHITDGV-UHFFFAOYSA-N 0 1 348.425 3.800 20 30 EHEDMN CC(=Cc1cccc(-c2ccccn2)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000588611116 1040826174 /nfs/dbraw/zinc/82/61/74/1040826174.db2.gz BGELVQQUMSZQFY-RAXLEYEMSA-N 0 1 328.375 3.573 20 30 EHEDMN N#CC1(CC(=O)N2CCc3nc[nH]c3[C@H]2c2ccccc2)CCCCC1 ZINC000913509273 1040876618 /nfs/dbraw/zinc/87/66/18/1040876618.db2.gz OKALLPXXFIMWBM-HXUWFJFHSA-N 0 1 348.450 3.748 20 30 EHEDMN Cc1cccc2nc([C@H](C#N)C(=O)[C@H]3CCOc4ccccc43)[nH]c21 ZINC000842309232 1040900256 /nfs/dbraw/zinc/90/02/56/1040900256.db2.gz ZOFHWPXLUJTJFQ-LSDHHAIUSA-N 0 1 331.375 3.614 20 30 EHEDMN C=CCCOCC(=O)Nc1c(C2CC2)n[nH]c1-c1cccc(F)c1 ZINC000909710795 1040947894 /nfs/dbraw/zinc/94/78/94/1040947894.db2.gz XSEMKVBDJALZNT-UHFFFAOYSA-N 0 1 329.375 3.624 20 30 EHEDMN COc1cc(CNCc2ccc(Br)c(F)c2)ccc1C#N ZINC000584559543 1040988211 /nfs/dbraw/zinc/98/82/11/1040988211.db2.gz WBOIGKBASBDWPV-UHFFFAOYSA-N 0 1 349.203 3.758 20 30 EHEDMN N#Cc1ccccc1CN1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000120298765 1041195076 /nfs/dbraw/zinc/19/50/76/1041195076.db2.gz KCEITTWGPQDSEL-SFHVURJKSA-N 0 1 329.407 3.680 20 30 EHEDMN N#Cc1ccccc1CN1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000120298765 1041195085 /nfs/dbraw/zinc/19/50/85/1041195085.db2.gz KCEITTWGPQDSEL-SFHVURJKSA-N 0 1 329.407 3.680 20 30 EHEDMN CN(C[C@H](O)Cn1c2ccccc2c2ccccc21)CC(C)(C)C#N ZINC000433293241 1041229397 /nfs/dbraw/zinc/22/93/97/1041229397.db2.gz CRZXBNPJRLRFAP-INIZCTEOSA-N 0 1 335.451 3.637 20 30 EHEDMN C=CCOc1cccc(CN[C@@H](c2ccncc2)C2(CO)CCC2)c1 ZINC000668812825 1041231486 /nfs/dbraw/zinc/23/14/86/1041231486.db2.gz VRWHXXVYISUQKX-FQEVSTJZSA-N 0 1 338.451 3.640 20 30 EHEDMN CC(C)(C)C[N@@H+](CCC#N)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195168034 1041395233 /nfs/dbraw/zinc/39/52/33/1041395233.db2.gz APWJEKYNCCGAPE-IBGZPJMESA-N 0 1 337.508 3.895 20 30 EHEDMN CC(C)(C)CN(CCC#N)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195168034 1041395239 /nfs/dbraw/zinc/39/52/39/1041395239.db2.gz APWJEKYNCCGAPE-IBGZPJMESA-N 0 1 337.508 3.895 20 30 EHEDMN CC(C)CN1Cc2cccc(NC(=O)c3ccccc3OCC#N)c2C1 ZINC000162201813 1042714204 /nfs/dbraw/zinc/71/42/04/1042714204.db2.gz HGQHTBNINSYBLS-UHFFFAOYSA-N 0 1 349.434 3.813 20 30 EHEDMN C[C@H]1CN(c2ccc(C(F)(F)F)cc2)C[C@H](C)N1CCCC#N ZINC000344240938 1043493878 /nfs/dbraw/zinc/49/38/78/1043493878.db2.gz VTMUNIJSNNWVTH-KBPBESRZSA-N 0 1 325.378 3.908 20 30 EHEDMN COc1cc(Cl)ccc1CNCc1ccc(O[C@H](C)C#N)cc1 ZINC000107718685 1043857120 /nfs/dbraw/zinc/85/71/20/1043857120.db2.gz VONZBSDEPFWDHI-CYBMUJFWSA-N 0 1 330.815 3.929 20 30 EHEDMN N#CC(C(=O)c1nccnc1Sc1ccccc1)c1ccccn1 ZINC000344421017 1043978609 /nfs/dbraw/zinc/97/86/09/1043978609.db2.gz KWTZQINEKACLCF-CQSZACIVSA-N 0 1 332.388 3.513 20 30 EHEDMN C[C@@H](NCc1cccc(OCc2ccccc2C#N)c1)c1cnn(C)c1 ZINC000344552398 1044120432 /nfs/dbraw/zinc/12/04/32/1044120432.db2.gz NRJNUPAXSSEODK-MRXNPFEDSA-N 0 1 346.434 3.722 20 30 EHEDMN Cc1csc(C(C#N)C(=O)c2cnc3c(F)ccc(F)c3c2)n1 ZINC000344633573 1044222906 /nfs/dbraw/zinc/22/29/06/1044222906.db2.gz LOJXRMQDIDHWMW-NSHDSACASA-N 0 1 329.331 3.768 20 30 EHEDMN Cc1csc([C@@H](C#N)C(=O)c2cnc3c(F)ccc(F)c3c2)n1 ZINC000344633573 1044222916 /nfs/dbraw/zinc/22/29/16/1044222916.db2.gz LOJXRMQDIDHWMW-NSHDSACASA-N 0 1 329.331 3.768 20 30 EHEDMN N#C[C@H](C(=O)c1cncc(C(F)(F)F)c1)c1cnc2ccccc2n1 ZINC000344879260 1044642465 /nfs/dbraw/zinc/64/24/65/1044642465.db2.gz JLRGVKALNMMZKC-LBPRGKRZSA-N 0 1 342.280 3.534 20 30 EHEDMN N#CC(C(=O)c1cncc(C(F)(F)F)c1)c1cnc2ccccc2n1 ZINC000344879260 1044642472 /nfs/dbraw/zinc/64/24/72/1044642472.db2.gz JLRGVKALNMMZKC-LBPRGKRZSA-N 0 1 342.280 3.534 20 30 EHEDMN CCOC[C@@H]1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000154851941 1125761633 /nfs/dbraw/zinc/76/16/33/1125761633.db2.gz MRJLOBFKQZMQDY-MRXNPFEDSA-N 0 1 341.373 3.685 20 30 EHEDMN C=CCOc1c(Cl)cc(CN[C@H](C)c2cn(C)nc2C)cc1OC ZINC000623402353 1126945673 /nfs/dbraw/zinc/94/56/73/1126945673.db2.gz HQPBAUGGTULXRT-GFCCVEGCSA-N 0 1 349.862 3.806 20 30 EHEDMN COc1cc(C)c([C@@H](C)NCC#Cc2ccc(F)cc2)cc1OC ZINC000179621544 1127075393 /nfs/dbraw/zinc/07/53/93/1127075393.db2.gz IDEBJXRKAHEDPC-OAHLLOKOSA-N 0 1 327.399 3.854 20 30 EHEDMN C=CC[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1Cc1ccccc1 ZINC001299259175 1127164440 /nfs/dbraw/zinc/16/44/40/1127164440.db2.gz KZKMUYUZEBQCPV-FGZHOGPDSA-N 0 1 348.490 3.955 20 30 EHEDMN C=CC(C)(C)CCNC(=O)NC1CCN([C@H](C)c2ccncc2)CC1 ZINC000623790595 1127168685 /nfs/dbraw/zinc/16/86/85/1127168685.db2.gz MYUMAFOVWVXRHF-MRXNPFEDSA-N 0 1 344.503 3.509 20 30 EHEDMN CC(C)Sc1ccc([C@@H](C)NCC(=O)N[C@@](C)(C#N)C2CC2)cc1 ZINC000182097296 1127311579 /nfs/dbraw/zinc/31/15/79/1127311579.db2.gz MOLWONOVHIWGCQ-KUHUBIRLSA-N 0 1 345.512 3.646 20 30 EHEDMN COc1ccsc1C=NN=c1nc[nH]c2sc3c(c21)CCC3 ZINC000764664307 1127519908 /nfs/dbraw/zinc/51/99/08/1127519908.db2.gz DDYOTKLJTGULJV-UHFFFAOYSA-N 0 1 330.438 3.696 20 30 EHEDMN CC[C@H](C#N)Oc1cc(CNCc2sccc2OC)ccc1OC ZINC000765240891 1127588102 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C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@H](CCF)C1 ZINC000595756740 1033984357 /nfs/dbraw/zinc/98/43/57/1033984357.db2.gz WEVMWTBZOIPOHN-JKSUJKDBSA-N 0 1 349.425 3.532 20 30 EHEDMN C=CC[C@@H]1CCN(Cc2oc(-c3ccccc3)nc2C(=O)OCC)C1 ZINC000599526072 1034002069 /nfs/dbraw/zinc/00/20/69/1034002069.db2.gz CZAIKKXWHIMTKK-OAHLLOKOSA-N 0 1 340.423 3.916 20 30 EHEDMN COCCN(CCO[C@@H]1CCCC[C@H]1C)Cc1ccc(C#N)cc1 ZINC000604493192 1034400662 /nfs/dbraw/zinc/40/06/62/1034400662.db2.gz WTJSKSLTPMESKC-YLJYHZDGSA-N 0 1 330.472 3.602 20 30 EHEDMN COc1cc2c(cc1OC)CN(Cc1ccc(C3(C#N)CC3)cc1)CC2 ZINC000596978100 1034476356 /nfs/dbraw/zinc/47/63/56/1034476356.db2.gz SLZMKCXSFVMALL-UHFFFAOYSA-N 0 1 348.446 3.817 20 30 EHEDMN N#CC1(CC(=O)NCc2nc3ccc(Cl)cc3[nH]2)CCCCC1 ZINC000597208407 1034594341 /nfs/dbraw/zinc/59/43/41/1034594341.db2.gz MDUKRUBLNDBPIT-UHFFFAOYSA-N 0 1 330.819 3.697 20 30 EHEDMN N#CCc1cccc(NC(=O)[C@H]2CCCCN2Cc2ccccc2)c1 ZINC000456729565 1034685892 /nfs/dbraw/zinc/68/58/92/1034685892.db2.gz 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MTFYKQAWLUISPT-FGTMMUONSA-N 0 1 326.440 3.969 20 30 EHEDMN CCCCN(CC)[C@H](C(=O)Nc1cc(C#N)ccn1)c1ccccc1 ZINC001182234217 1133595877 /nfs/dbraw/zinc/59/58/77/1133595877.db2.gz ZCUUYNNMVGWUMV-IBGZPJMESA-N 0 1 336.439 3.755 20 30 EHEDMN Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)O[C@@H](C)CC#N ZINC000772664638 1133710417 /nfs/dbraw/zinc/71/04/17/1133710417.db2.gz UPIGCLMWWHBBNS-VIFPVBQESA-N 0 1 337.301 3.863 20 30 EHEDMN N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cc(Br)ccc1[O-] ZINC000785617750 1133732833 /nfs/dbraw/zinc/73/28/33/1133732833.db2.gz UAJWKNJULDMDJC-MRXNPFEDSA-N 0 1 343.224 3.803 20 30 EHEDMN Cc1cccc(CNC(=O)C(C#N)C(=O)C[C@@H](C)C2CCCCC2)c1 ZINC000786539249 1133864152 /nfs/dbraw/zinc/86/41/52/1133864152.db2.gz IMLZXKSQXOVDBN-APWZRJJASA-N 0 1 340.467 3.927 20 30 EHEDMN C[C@@H]1CCC[C@H](CC(=O)C(C#N)C(=O)NCc2ccc(F)c(F)c2)C1 ZINC000786571554 1133876130 /nfs/dbraw/zinc/87/61/30/1133876130.db2.gz QGFOVTQLRUILNR-IPYPFGDCSA-N 0 1 348.393 3.506 20 30 EHEDMN CC[C@H](NC(=O)C(C#N)C(=O)[C@H]1CCCC1(C)C)c1ccccc1 ZINC000787038791 1133942133 /nfs/dbraw/zinc/94/21/33/1133942133.db2.gz CQMONCQCAIISSC-ZACQAIPSSA-N 0 1 326.440 3.789 20 30 EHEDMN C[C@@H](NC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1C)c1ccc(Cl)cc1Cl ZINC000787047589 1133942828 /nfs/dbraw/zinc/94/28/28/1133942828.db2.gz CYWALFIIYCANOS-RQSQLSILSA-N 0 1 339.222 3.535 20 30 EHEDMN C[C@@H](NC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1C)c1ccc(Cl)cc1Cl ZINC000787048812 1133943111 /nfs/dbraw/zinc/94/31/11/1133943111.db2.gz CYWALFIIYCANOS-GAQJKIJGSA-N 0 1 339.222 3.535 20 30 EHEDMN CC(/C=C\C(=O)c1ccc(O)cc1O)=C/c1cccc([N+](=O)[O-])c1 ZINC000787172531 1133966688 /nfs/dbraw/zinc/96/66/88/1133966688.db2.gz XADSIBTYPVMFCG-CVNCVQKXSA-N 0 1 325.320 3.848 20 30 EHEDMN N#CC1(c2ccc(NS(=O)(=O)c3ccsc3)cc2)CCCC1 ZINC001185390280 1134077180 /nfs/dbraw/zinc/07/71/80/1134077180.db2.gz BULPLXJALGMDOQ-UHFFFAOYSA-N 0 1 332.450 3.884 20 30 EHEDMN C#CCC1(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)CCCCC1 ZINC000788171177 1134092296 /nfs/dbraw/zinc/09/22/96/1134092296.db2.gz JDKNBJJMGGLQGQ-GOSISDBHSA-N 0 1 330.447 3.518 20 30 EHEDMN N#Cc1ccc(C(=O)/C=C/c2cc(O)ccc2[N+](=O)[O-])c(Cl)c1 ZINC000788359084 1134116022 /nfs/dbraw/zinc/11/60/22/1134116022.db2.gz NDHSOXVSHDFOLY-QHHAFSJGSA-N 0 1 328.711 3.722 20 30 EHEDMN O=C1c2cc([N+](=O)[O-])ccc2OC/C1=C/c1ccc(O)c(Cl)c1 ZINC000788360472 1134116853 /nfs/dbraw/zinc/11/68/53/1134116853.db2.gz YDYQQVBCJWUIII-YHYXMXQVSA-N 0 1 331.711 3.613 20 30 EHEDMN O=[N+]([O-])c1ccc(N=NCc2ccc(-c3cc[nH]n3)o2)c(Cl)c1 ZINC000788427378 1134120820 /nfs/dbraw/zinc/12/08/20/1134120820.db2.gz LRIWTTZMELQUFV-UHFFFAOYSA-N 0 1 331.719 3.677 20 30 EHEDMN CC(N=Nc1nccn(C)c1=O)c1ccccc1SC(C)(C)C ZINC000788434534 1134121497 /nfs/dbraw/zinc/12/14/97/1134121497.db2.gz SVJYUIGWUFRYOD-UHFFFAOYSA-N 0 1 330.457 3.507 20 30 EHEDMN C=CCc1cc(CN[C@H](C)c2ccnc(OC)c2)cc(OC)c1OC ZINC000788650609 1134151003 /nfs/dbraw/zinc/15/10/03/1134151003.db2.gz YKAJYJIRYHUYKW-CQSZACIVSA-N 0 1 342.439 3.687 20 30 EHEDMN Clc1cc(Br)ccc1N=NC1CCCc2c[nH]nc21 ZINC000789034955 1134211740 /nfs/dbraw/zinc/21/17/40/1134211740.db2.gz UCAXCJHHVZVHDE-UHFFFAOYSA-N 0 1 339.624 3.978 20 30 EHEDMN CC(C)Cc1cc(NC2CCN(Cc3cccc(C#N)c3)CC2)ncn1 ZINC001186889054 1134267855 /nfs/dbraw/zinc/26/78/55/1134267855.db2.gz UJMDJRCKQXMFJU-UHFFFAOYSA-N 0 1 349.482 3.623 20 30 EHEDMN CCCCCCCCS(=O)(=O)Nc1ccccc1C(=O)OC ZINC001188012604 1134415711 /nfs/dbraw/zinc/41/57/11/1134415711.db2.gz DIZYQKIFUOJWNF-UHFFFAOYSA-N 0 1 327.446 3.575 20 30 EHEDMN Cc1ccc(O)c(CN2CCN(c3ccc(C#N)cc3Cl)CC2)c1 ZINC000775180617 1134483712 /nfs/dbraw/zinc/48/37/12/1134483712.db2.gz IADYXTQYKCWAGY-UHFFFAOYSA-N 0 1 341.842 3.548 20 30 EHEDMN N#CCc1cccc(C(=O)N2CCC(c3n[nH]c4ccccc43)CC2)c1 ZINC001188676519 1134493417 /nfs/dbraw/zinc/49/34/17/1134493417.db2.gz SWMSWCRTDJXYSU-UHFFFAOYSA-N 0 1 344.418 3.649 20 30 EHEDMN CC(=NNc1ncccc1C)c1cc(Br)cc(F)c1O ZINC000790186745 1134639285 /nfs/dbraw/zinc/63/92/85/1134639285.db2.gz REMOIJKGTQZNNH-UHFFFAOYSA-N 0 1 338.180 3.833 20 30 EHEDMN N#C[C@H](C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1cnc2ccccc2n1 ZINC000792110444 1134651033 /nfs/dbraw/zinc/65/10/33/1134651033.db2.gz LQUDCEKPUCWYSG-XHSDSOJGSA-N 0 1 331.350 3.749 20 30 EHEDMN CNc1cc(C(=O)C(C#N)c2nccc3ccccc32)cc(Cl)n1 ZINC000792097579 1134654560 /nfs/dbraw/zinc/65/45/60/1134654560.db2.gz XJWNDMYYHUSZTA-AWEZNQCLSA-N 0 1 336.782 3.815 20 30 EHEDMN C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(C#N)ccc1O ZINC000792275423 1134676579 /nfs/dbraw/zinc/67/65/79/1134676579.db2.gz HHRZBYWYDVQMMZ-ZDUSSCGKSA-N 0 1 332.359 3.823 20 30 EHEDMN C#CC[C@@H](NCC(=O)NCCc1c(C)cc(C)cc1C)c1ccccc1 ZINC000775399610 1134720288 /nfs/dbraw/zinc/72/02/88/1134720288.db2.gz DQIXEHKQPLWKHM-JOCHJYFZSA-N 0 1 348.490 3.625 20 30 EHEDMN C#CC[C@@H](NCC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1ccccc1 ZINC000775400506 1134723973 /nfs/dbraw/zinc/72/39/73/1134723973.db2.gz KJWICRJYNIOKQZ-OXJNMPFZSA-N 0 1 338.426 3.699 20 30 EHEDMN C#CC[C@@H](NCC(=O)Nc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000775398335 1134724888 /nfs/dbraw/zinc/72/48/88/1134724888.db2.gz GODDXJWAOUYNTH-QGZVFWFLSA-N 0 1 346.352 3.998 20 30 EHEDMN C#CC[C@H](NCC(=O)N[C@H](C)c1ccccc1Cl)c1ccccc1 ZINC000775403020 1134730576 /nfs/dbraw/zinc/73/05/76/1134730576.db2.gz FAAMXFGIXGOHOV-BEFAXECRSA-N 0 1 340.854 3.871 20 30 EHEDMN C#CC[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC001190707819 1134735599 /nfs/dbraw/zinc/73/55/99/1134735599.db2.gz OLBGVBCPWNPWKI-GOSISDBHSA-N 0 1 335.781 3.787 20 30 EHEDMN C#CCN(Cc1ccc(F)cc1)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC001190707819 1134735604 /nfs/dbraw/zinc/73/56/04/1134735604.db2.gz OLBGVBCPWNPWKI-GOSISDBHSA-N 0 1 335.781 3.787 20 30 EHEDMN C#CC[C@H](NCC(=O)N[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000775404960 1134740185 /nfs/dbraw/zinc/74/01/85/1134740185.db2.gz RSMYPSVXLVHDFI-LEWJYISDSA-N 0 1 332.447 3.534 20 30 EHEDMN CC(=O)c1cccc(NS(=O)(=O)c2cc(C#N)ccc2Cl)c1C ZINC001190981347 1134774417 /nfs/dbraw/zinc/77/44/17/1134774417.db2.gz GWHPGUMWNGIYSL-UHFFFAOYSA-N 0 1 348.811 3.524 20 30 EHEDMN COc1ccc(C=NNc2cccc(Cl)n2)c(OC(F)F)c1 ZINC000793174079 1134867832 /nfs/dbraw/zinc/86/78/32/1134867832.db2.gz IEUHNIPSTCUABO-UHFFFAOYSA-N 0 1 327.718 3.791 20 30 EHEDMN COc1cc(C#N)ccc1C(=O)Nc1c(Cl)ccc(O)c1Cl ZINC001192263917 1134991220 /nfs/dbraw/zinc/99/12/20/1134991220.db2.gz RVLOBJDOLUPBPD-UHFFFAOYSA-N 0 1 337.162 3.832 20 30 EHEDMN CCc1cc(N=NCc2ccc(C#N)cc2F)nc(-c2ccccn2)n1 ZINC000772841785 1135018008 /nfs/dbraw/zinc/01/80/08/1135018008.db2.gz KAUXXOLZXYONNU-UHFFFAOYSA-N 0 1 346.369 3.558 20 30 EHEDMN C#C[C@H](N[C@@H](C)c1cnn(-c2cc(C)ccc2C)c1C)[C@H]1CCCO1 ZINC000775571151 1135104164 /nfs/dbraw/zinc/10/41/64/1135104164.db2.gz BCUZVWJVTJCNDP-NBHGPNQESA-N 0 1 337.467 3.629 20 30 EHEDMN CCc1cc(Br)cc(NC(=O)c2ccc(O)c(C#N)c2)c1 ZINC001193505742 1135148126 /nfs/dbraw/zinc/14/81/26/1135148126.db2.gz MRYAAVYPXHUWGF-UHFFFAOYSA-N 0 1 345.196 3.841 20 30 EHEDMN CC[C@H](C)c1ccccc1NS(=O)(=O)c1cc(OC)ccc1C#N ZINC001193635962 1135163148 /nfs/dbraw/zinc/16/31/48/1135163148.db2.gz HTSRWBMNDHJRPE-ZDUSSCGKSA-N 0 1 344.436 3.881 20 30 EHEDMN N#Cc1cccc(C(=O)N[C@@H]2CCc3ccc(C(F)(F)F)cc32)c1O ZINC001193659286 1135168349 /nfs/dbraw/zinc/16/83/49/1135168349.db2.gz KUEHMHYCHIAFHA-OAHLLOKOSA-N 0 1 346.308 3.700 20 30 EHEDMN COc1cc(F)c(C(=O)Nc2c(C#N)oc3ccccc32)cc1F ZINC001193958021 1135205966 /nfs/dbraw/zinc/20/59/66/1135205966.db2.gz XWLNWKIKRLUWOE-UHFFFAOYSA-N 0 1 328.274 3.844 20 30 EHEDMN N#Cc1cncc(NS(=O)(=O)c2cccc3c(Cl)cccc32)c1 ZINC001194410547 1135265668 /nfs/dbraw/zinc/26/56/68/1135265668.db2.gz DIJSLLQUPNTAIY-UHFFFAOYSA-N 0 1 343.795 3.561 20 30 EHEDMN C#Cc1ccccc1NS(=O)(=O)c1cccc2c(Cl)nccc21 ZINC001194498648 1135279061 /nfs/dbraw/zinc/27/90/61/1135279061.db2.gz NMNGGTBVQWKRAG-UHFFFAOYSA-N 0 1 342.807 3.670 20 30 EHEDMN C[C@H]1CN(Cc2ccc(Cl)cc2C#N)CCN1Cc1ccccc1 ZINC001195112261 1135370716 /nfs/dbraw/zinc/37/07/16/1135370716.db2.gz HTDMOUDWQMXFHF-INIZCTEOSA-N 0 1 339.870 3.918 20 30 EHEDMN CNc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C#N)cc1O ZINC001195757450 1135461368 /nfs/dbraw/zinc/46/13/68/1135461368.db2.gz BPIZUFPNQHQMOG-UHFFFAOYSA-N 0 1 335.285 3.577 20 30 EHEDMN CC(C)O[C@@H]1CCCN(CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC001195796882 1135471752 /nfs/dbraw/zinc/47/17/52/1135471752.db2.gz HAQAVOXMGAGKSR-QGZVFWFLSA-N 0 1 325.374 3.946 20 30 EHEDMN C=CC[C@H]1CCCN([C@@H](C)C(=O)N2CCSc3ccccc32)C1 ZINC001195954831 1135500485 /nfs/dbraw/zinc/50/04/85/1135500485.db2.gz MCFKQHWFPCEYMA-HOTGVXAUSA-N 0 1 330.497 3.802 20 30 EHEDMN C=C(C)[C@@H](CC(=O)NCc1cc(Cl)cc(Cl)c1O)OCC ZINC000807838949 1135575526 /nfs/dbraw/zinc/57/55/26/1135575526.db2.gz DGPZBVMLOXQABR-CYBMUJFWSA-N 0 1 332.227 3.687 20 30 EHEDMN Fc1cccc(O[C@@H]2CCN(CC#Cc3ccc(Cl)cc3)C2)c1 ZINC001197004510 1135639554 /nfs/dbraw/zinc/63/95/54/1135639554.db2.gz UOOLKRYYHBZRPE-LJQANCHMSA-N 0 1 329.802 3.984 20 30 EHEDMN C#C[C@@H](NCc1cccc(Br)c1OC(F)F)C(C)C ZINC000809685497 1135871207 /nfs/dbraw/zinc/87/12/07/1135871207.db2.gz WMGIZJYXGSTBBM-GFCCVEGCSA-N 0 1 332.188 3.798 20 30 EHEDMN C=CCOC[C@@H]1c2nnn(C)c2CCN1[C@H](CC)CCCCCC ZINC001170592914 1135908655 /nfs/dbraw/zinc/90/86/55/1135908655.db2.gz OBETZWVFBHRWQD-SJLPKXTDSA-N 0 1 334.508 3.666 20 30 EHEDMN Cc1cc(C(C#N)C(=O)[C@H]2CCc3c2cccc3Cl)nc(C)n1 ZINC000776075590 1135947528 /nfs/dbraw/zinc/94/75/28/1135947528.db2.gz BVRNSQCQKOSXBB-GJZGRUSLSA-N 0 1 325.799 3.653 20 30 EHEDMN CC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201322989 1136007795 /nfs/dbraw/zinc/00/77/95/1136007795.db2.gz WBHIJXWEWGIZFT-UHFFFAOYSA-N 0 1 348.811 3.524 20 30 EHEDMN CC(C)Oc1cncc(Nc2sc3c(c2C#N)CCN(C)C3)c1 ZINC001201540379 1136033747 /nfs/dbraw/zinc/03/37/47/1136033747.db2.gz VRPWQZYTJNFTJJ-UHFFFAOYSA-N 0 1 328.441 3.533 20 30 EHEDMN CN1CCN(c2ccc(Nc3ccc(C4CC4)cc3)cc2C#N)CC1 ZINC001201681828 1136050507 /nfs/dbraw/zinc/05/05/07/1136050507.db2.gz VWWBIESTMWMAGG-UHFFFAOYSA-N 0 1 332.451 3.931 20 30 EHEDMN CCCCCCCCCN1CC(N2CCN(c3ccccn3)CC2)C1 ZINC001201852925 1136066843 /nfs/dbraw/zinc/06/68/43/1136066843.db2.gz SIKXNXNAHDUCIB-UHFFFAOYSA-N 0 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ZINC000598588057 1033313536 /nfs/dbraw/zinc/31/35/36/1033313536.db2.gz YPFIKEHVDDOZAD-DZGCQCFKSA-N 0 1 329.469 3.734 20 30 EHEDMN CC[C@H](NC[C@@H](O)CC(C)(C)C#N)c1nc(C(F)(F)F)cs1 ZINC000598612285 1033326593 /nfs/dbraw/zinc/32/65/93/1033326593.db2.gz NEWBAXFLPXHNMV-UWVGGRQHSA-N 0 1 335.395 3.503 20 30 EHEDMN Cc1ccccc1CN(Cc1ccccn1)C[C@@H](O)CC(C)(C)C#N ZINC000598619573 1033331716 /nfs/dbraw/zinc/33/17/16/1033331716.db2.gz FJKZEUSWDAWOLX-FQEVSTJZSA-N 0 1 337.467 3.693 20 30 EHEDMN Cn1cc(CN2CC(C)(c3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000598677146 1033392906 /nfs/dbraw/zinc/39/29/06/1033392906.db2.gz LYTAANVLUAOGHO-UHFFFAOYSA-N 0 1 342.446 3.732 20 30 EHEDMN COc1ccccc1[C@H](NC[C@H](O)CC(C)(C)C#N)c1ccccc1 ZINC000598720157 1033414024 /nfs/dbraw/zinc/41/40/24/1033414024.db2.gz NAQZFTJTMYDIIC-YLJYHZDGSA-N 0 1 338.451 3.675 20 30 EHEDMN Cn1c2ccccc2nc1C(C#N)C(=O)[C@@H]1C[C@@]12CCc1ccccc12 ZINC000173900804 1033603093 /nfs/dbraw/zinc/60/30/93/1033603093.db2.gz XTQIAGFPLRPGHS-ULYRPOKDSA-N 0 1 341.414 3.654 20 30 EHEDMN C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)Cc1nc(C#N)cs1 ZINC000595514169 1033840163 /nfs/dbraw/zinc/84/01/63/1033840163.db2.gz BJLFZGWLLWUOPW-SECBINFHSA-N 0 1 331.832 3.737 20 30 EHEDMN C=CCOc1c(Cl)cc(CN[C@@H](C)c2cn(C)nc2C)cc1OC ZINC000623402354 1033896554 /nfs/dbraw/zinc/89/65/54/1033896554.db2.gz HQPBAUGGTULXRT-LBPRGKRZSA-N 0 1 349.862 3.806 20 30 EHEDMN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000595844469 1034004391 /nfs/dbraw/zinc/00/43/91/1034004391.db2.gz FSGZCIRDQZOTKK-KDURUIRLSA-N 0 1 337.467 3.733 20 30 EHEDMN CCCCOc1ccccc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000603987422 1034105122 /nfs/dbraw/zinc/10/51/22/1034105122.db2.gz PATDNAOYKRKWCO-UHFFFAOYSA-N 0 1 330.409 3.538 20 30 EHEDMN N#C[C@@H](C(=O)c1ccnc(OCC(F)F)c1)c1nc(C2CC2)cs1 ZINC000647378515 1034105742 /nfs/dbraw/zinc/10/57/42/1034105742.db2.gz BSJZBNPDQAXEFV-NSHDSACASA-N 0 1 349.362 3.549 20 30 EHEDMN N#CC(C(=O)c1ccnc(OCC(F)F)c1)c1nc(C2CC2)cs1 ZINC000647378515 1034105749 /nfs/dbraw/zinc/10/57/49/1034105749.db2.gz BSJZBNPDQAXEFV-NSHDSACASA-N 0 1 349.362 3.549 20 30 EHEDMN N#C[C@@H](C(=O)c1ccc(OCC(F)F)nc1)c1nc(C2CC2)cs1 ZINC000647378583 1034105894 /nfs/dbraw/zinc/10/58/94/1034105894.db2.gz IQZUWPWCBBRIJY-NSHDSACASA-N 0 1 349.362 3.549 20 30 EHEDMN N#CC(C(=O)c1ccc(OCC(F)F)nc1)c1nc(C2CC2)cs1 ZINC000647378583 1034105902 /nfs/dbraw/zinc/10/59/02/1034105902.db2.gz IQZUWPWCBBRIJY-NSHDSACASA-N 0 1 349.362 3.549 20 30 EHEDMN CC(C)c1nc(C(=O)[C@H](C#N)C(=O)Nc2ccc(Cl)cc2)cs1 ZINC000171146004 1034159427 /nfs/dbraw/zinc/15/94/27/1034159427.db2.gz UGFAJIYLOPPKMR-LBPRGKRZSA-N 0 1 347.827 3.881 20 30 EHEDMN CC(C)c1nc(C(=O)C(C#N)C(=O)Nc2ccc(Cl)cc2)cs1 ZINC000171146004 1034159434 /nfs/dbraw/zinc/15/94/34/1034159434.db2.gz UGFAJIYLOPPKMR-LBPRGKRZSA-N 0 1 347.827 3.881 20 30 EHEDMN CCN(Cc1cnc(N2CCCC2)nc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000534345488 1034417011 /nfs/dbraw/zinc/41/70/11/1034417011.db2.gz TVHWTWUXIZSDCT-INIZCTEOSA-N 0 1 335.455 3.532 20 30 EHEDMN CCCCc1nc2ccc(NC(=O)CC3(C#N)CCOCC3)cc2[nH]1 ZINC000596971408 1034473181 /nfs/dbraw/zinc/47/31/81/1034473181.db2.gz WYHYZMFCAAWQTE-UHFFFAOYSA-N 0 1 340.427 3.554 20 30 EHEDMN N#CC1(c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)CC1 ZINC000596974562 1034475326 /nfs/dbraw/zinc/47/53/26/1034475326.db2.gz KPMILRWXYLTQTF-UHFFFAOYSA-N 0 1 331.463 3.560 20 30 EHEDMN N#C[C@H](c1ccccc1)N1CCN(C[C@@H]2CCCCC2(F)F)CC1 ZINC000450565919 1034526507 /nfs/dbraw/zinc/52/65/07/1034526507.db2.gz KTCJNQQKMSYRQF-ZWKOTPCHSA-N 0 1 333.426 3.694 20 30 EHEDMN Cc1nccc([C@@H]2CCCN(Cc3ccc(C#N)cc3Cl)C2)n1 ZINC000615224033 1034539936 /nfs/dbraw/zinc/53/99/36/1034539936.db2.gz WMVONPIORDSBEY-MRXNPFEDSA-N 0 1 326.831 3.690 20 30 EHEDMN N#Cc1cccc(CN(CCO)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000179687955 1034562993 /nfs/dbraw/zinc/56/29/93/1034562993.db2.gz UACUPMAIMZNJAY-UHFFFAOYSA-N 0 1 335.234 3.860 20 30 EHEDMN Cc1nn(-c2ccc(F)cc2F)c(C)c1CN1CCC[C@@H](CC#N)C1 ZINC000597173940 1034580937 /nfs/dbraw/zinc/58/09/37/1034580937.db2.gz ODUDDWAOJDGSST-HNNXBMFYSA-N 0 1 344.409 3.893 20 30 EHEDMN CC(C)[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000172021086 1034776205 /nfs/dbraw/zinc/77/62/05/1034776205.db2.gz NJYWUHHRPPTYCX-MWLCHTKSSA-N 0 1 327.211 3.933 20 30 EHEDMN CC(C)[C@@H](C)C(=O)C(C#N)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000172020287 1034777348 /nfs/dbraw/zinc/77/73/48/1034777348.db2.gz XFLFBXIHUPXNLI-MFKMUULPSA-N 0 1 340.395 3.941 20 30 EHEDMN CC(C)(CC(=O)C(C#N)C(=O)Nc1ccccc1)CC(F)(F)F ZINC000892495236 1034913663 /nfs/dbraw/zinc/91/36/63/1034913663.db2.gz NYKKVPIMLJJOKU-GFCCVEGCSA-N 0 1 326.318 3.703 20 30 EHEDMN COc1cc(F)c([C@H](C)NCc2ccc(CC#N)cc2)cc1OC ZINC000343823565 1034934066 /nfs/dbraw/zinc/93/40/66/1034934066.db2.gz PVBAAJLERDPLEX-ZDUSSCGKSA-N 0 1 328.387 3.760 20 30 EHEDMN Cn1cc(CN2CCc3sccc3C2)c(-c2ccc(C#N)cc2)n1 ZINC000179902497 1034977997 /nfs/dbraw/zinc/97/79/97/1034977997.db2.gz QXLAFAZQUWWTON-UHFFFAOYSA-N 0 1 334.448 3.579 20 30 EHEDMN CCc1ccc([C@@H](C)NC(=O)CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000580584283 1035442655 /nfs/dbraw/zinc/44/26/55/1035442655.db2.gz IMFPZFBSNDHYAF-HZPDHXFCSA-N 0 1 335.451 3.649 20 30 EHEDMN CC(C)(C#N)CCN1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000540664168 1035555174 /nfs/dbraw/zinc/55/51/74/1035555174.db2.gz VFYSVEMZBXJFAW-UHFFFAOYSA-N 0 1 325.378 3.767 20 30 EHEDMN N#Cc1ccc(S(=O)(=O)Nc2cccc(F)c2)c(C(F)(F)F)c1 ZINC000055547992 1035612774 /nfs/dbraw/zinc/61/27/74/1035612774.db2.gz BAAFDJNCKZZVMX-UHFFFAOYSA-N 0 1 344.289 3.517 20 30 EHEDMN C[C@@H](c1cccc(C#N)c1)N(C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000442669928 1035657043 /nfs/dbraw/zinc/65/70/43/1035657043.db2.gz CAEQWZBVFFJSCK-OXJNMPFZSA-N 0 1 333.435 3.747 20 30 EHEDMN C/C=C(/C=C\C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1)CC ZINC000492342037 1035664529 /nfs/dbraw/zinc/66/45/29/1035664529.db2.gz SZFAKQVWUXIBIS-MMKMEQLLSA-N 0 1 337.467 3.573 20 30 EHEDMN N#CCC1CCN(CC(=O)N[C@@H](c2ccccc2)C2CCCC2)CC1 ZINC000541021947 1035920641 /nfs/dbraw/zinc/92/06/41/1035920641.db2.gz UWONDTJZNUHTHC-NRFANRHFSA-N 0 1 339.483 3.660 20 30 EHEDMN N#CC(C(=O)CC[C@H]1CCc2ccccc21)c1nnc2n1CCCCC2 ZINC000892550178 1035984215 /nfs/dbraw/zinc/98/42/15/1035984215.db2.gz AXDJCJDKIIGRKT-SJLPKXTDSA-N 0 1 348.450 3.691 20 30 EHEDMN C=C[C@](C)(O)CC(=O)N1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000457350785 1036016293 /nfs/dbraw/zinc/01/62/93/1036016293.db2.gz DCWAZIQKXXRJFH-YJBOKZPZSA-N 0 1 347.846 3.597 20 30 EHEDMN CC[C@@H](NCc1ccc(F)c(C(F)(F)F)c1)[C@H](O)C(F)(F)F ZINC000498349385 1036018822 /nfs/dbraw/zinc/01/88/22/1036018822.db2.gz AZBHZIKSUJOLOX-MNOVXSKESA-N 0 1 333.247 3.636 20 30 EHEDMN N#Cc1ccc(NS(=O)(=O)c2cccc3ncccc32)cc1Cl ZINC000180177118 1036056288 /nfs/dbraw/zinc/05/62/88/1036056288.db2.gz CFCZGHIYJBNWBN-UHFFFAOYSA-N 0 1 343.795 3.561 20 30 EHEDMN N#Cc1ccc(Br)c(CN2CCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000492753189 1036248972 /nfs/dbraw/zinc/24/89/72/1036248972.db2.gz ZCJUFROWLXZXDO-HUUCEWRRSA-N 0 1 349.272 3.569 20 30 EHEDMN N#Cc1cc([O-])cc(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000589171982 1036273297 /nfs/dbraw/zinc/27/32/97/1036273297.db2.gz IHGCHPGAWCHEHF-UHFFFAOYSA-N 0 1 349.434 3.892 20 30 EHEDMN CC(C)CCCCC(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 ZINC000457694909 1036403858 /nfs/dbraw/zinc/40/38/58/1036403858.db2.gz QMQBVPVPIYSHIN-UHFFFAOYSA-N 0 1 341.499 3.877 20 30 EHEDMN CC[C@@H](O)[C@H]1CCCCN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000589498150 1036440288 /nfs/dbraw/zinc/44/02/88/1036440288.db2.gz OEJHIYPZMCAYDC-HZPDHXFCSA-N 0 1 326.362 3.702 20 30 EHEDMN Cc1cc([C@@H](C)NCC(=O)N(CCC#N)c2ccccc2)c(C)s1 ZINC000193133058 1036578961 /nfs/dbraw/zinc/57/89/61/1036578961.db2.gz DRNFXFHHNIDFCR-OAHLLOKOSA-N 0 1 341.480 3.962 20 30 EHEDMN N#Cc1csc(CNC2(c3ccc(F)cc3F)CCOCC2)c1 ZINC000089803112 1036657908 /nfs/dbraw/zinc/65/79/08/1036657908.db2.gz NTABKLLZNVXHOI-UHFFFAOYSA-N 0 1 334.391 3.693 20 30 EHEDMN Cc1ccccc1CN(C)C(=O)[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000127601066 1036760594 /nfs/dbraw/zinc/76/05/94/1036760594.db2.gz VNLZOGBIBUBEIB-IAGOWNOFSA-N 0 1 335.451 3.564 20 30 EHEDMN CCc1cnc(N2CCN(CCCCC3(C#N)CCC3)CC2)s1 ZINC000929720206 1037123099 /nfs/dbraw/zinc/12/30/99/1037123099.db2.gz MTPKKMKARUPEBV-UHFFFAOYSA-N 0 1 332.517 3.692 20 30 EHEDMN C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1CC#Cc1ccc(F)cc1 ZINC001168193621 1037189692 /nfs/dbraw/zinc/18/96/92/1037189692.db2.gz SGNZZGILUITHGU-RTBURBONSA-N 0 1 336.454 3.772 20 30 EHEDMN COc1cccc([C@@H]2C[C@H](C)CN2CC(=O)Nc2cccc(C#N)c2)c1 ZINC000542253872 1037203549 /nfs/dbraw/zinc/20/35/49/1037203549.db2.gz IUYAAEPUUPNNSR-YWZLYKJASA-N 0 1 349.434 3.588 20 30 EHEDMN C=CCC[C@@H](O)CN1CCC[C@H]1c1ccc(Br)s1 ZINC000542248387 1037215110 /nfs/dbraw/zinc/21/51/10/1037215110.db2.gz WUJKSYNWECJYHS-NEPJUHHUSA-N 0 1 330.291 3.975 20 30 EHEDMN COc1cccc([C@H]2[C@@H](Nc3nccc(C)c3C#N)CCN2C2CC2)c1 ZINC000542281036 1037238139 /nfs/dbraw/zinc/23/81/39/1037238139.db2.gz SKHZLLROFKSFAR-PMACEKPBSA-N 0 1 348.450 3.660 20 30 EHEDMN CCc1nc2ccccc2n1C1CCN(Cc2ccc(C#N)cn2)CC1 ZINC000573428617 1037494377 /nfs/dbraw/zinc/49/43/77/1037494377.db2.gz HVSQOFWVDNILKO-UHFFFAOYSA-N 0 1 345.450 3.702 20 30 EHEDMN CN(C)[C@H]1CCOc2c(NC(=O)/C=C\c3cccc(C#N)c3)cccc21 ZINC000493622491 1037497326 /nfs/dbraw/zinc/49/73/26/1037497326.db2.gz MHHJHHFMEJSJRW-VJIACCKLSA-N 0 1 347.418 3.595 20 30 EHEDMN C[C@H](Cc1cc(Br)ccc1F)NC[C@@H](C#N)CCC#N ZINC000591757284 1037574599 /nfs/dbraw/zinc/57/45/99/1037574599.db2.gz ISATVJRMAGJIGA-VXGBXAGGSA-N 0 1 338.224 3.552 20 30 EHEDMN C#CCN(C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)C1CCCC1 ZINC000491711671 1037633767 /nfs/dbraw/zinc/63/37/67/1037633767.db2.gz WYVVYTLRYLXCTP-UHFFFAOYSA-N 0 1 332.354 3.910 20 30 EHEDMN CN(Cc1cnc2ccc(C#N)cn12)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463027018 1037658307 /nfs/dbraw/zinc/65/83/07/1037658307.db2.gz BNJUJJDPUUWHLP-CABCVRRESA-N 0 1 336.361 3.759 20 30 EHEDMN Cc1cccc(N2CCN(Cc3cccc(OCCCC#N)c3)CC2)c1 ZINC000506138490 1037761531 /nfs/dbraw/zinc/76/15/31/1037761531.db2.gz STAUBXBOGODEPC-UHFFFAOYSA-N 0 1 349.478 4.000 20 30 EHEDMN N#Cc1ccc(CN2CC[C@H](c3cccnc3)C2)c(Br)c1 ZINC000592140111 1037860174 /nfs/dbraw/zinc/86/01/74/1037860174.db2.gz CEOONISVORMRAP-HNNXBMFYSA-N 0 1 342.240 3.705 20 30 EHEDMN Cc1csc(C(C#N)C(=O)c2cnn(-c3cccc(Cl)c3)c2)n1 ZINC000125057288 1038274495 /nfs/dbraw/zinc/27/44/95/1038274495.db2.gz HRMDPJXQJBWVNN-AWEZNQCLSA-N 0 1 342.811 3.781 20 30 EHEDMN C[C@H](NCc1cccc(C#N)c1F)c1ccc(NC(=O)C2CC2)cc1 ZINC000341456905 1038590100 /nfs/dbraw/zinc/59/01/00/1038590100.db2.gz NRICCTHZPWJHCD-ZDUSSCGKSA-N 0 1 337.398 3.897 20 30 EHEDMN CCOc1ccc([C@@H](C)NCc2cc(C#N)ccc2F)cc1OC ZINC000341474761 1038743867 /nfs/dbraw/zinc/74/38/67/1038743867.db2.gz SKXMFYNRAQZQFC-CYBMUJFWSA-N 0 1 328.387 3.955 20 30 EHEDMN Cc1c2cc(C#N)ccc2sc1C(=O)N[C@@H]1CCCN(C(C)C)C1 ZINC000500483199 1038808772 /nfs/dbraw/zinc/80/87/72/1038808772.db2.gz FOVOBVCOZICJHK-OAHLLOKOSA-N 0 1 341.480 3.684 20 30 EHEDMN Cc1cc(C#N)cc(C)c1Cn1cc(CN(C)C2CCCCC2)nn1 ZINC000905827124 1039136731 /nfs/dbraw/zinc/13/67/31/1039136731.db2.gz GLPVNAWVDDKTIH-UHFFFAOYSA-N 0 1 337.471 3.579 20 30 EHEDMN Cc1ccc2nc([C@H]3CCCN3CCOc3ccccc3C#N)[nH]c2c1 ZINC000570201161 1039300490 /nfs/dbraw/zinc/30/04/90/1039300490.db2.gz NDHFLQMVGAVNTE-LJQANCHMSA-N 0 1 346.434 3.959 20 30 EHEDMN C[C@H](NC(=O)CN1CCC(CC#N)CC1)c1cccc2ccccc21 ZINC000554631055 1039554604 /nfs/dbraw/zinc/55/46/04/1039554604.db2.gz BSKRCZBCTMBIAM-INIZCTEOSA-N 0 1 335.451 3.643 20 30 EHEDMN Cc1cc(C#N)cc(C)c1CC(=O)Nc1ccc(CN(C)C)c(F)c1 ZINC000906901227 1039803927 /nfs/dbraw/zinc/80/39/27/1039803927.db2.gz JZHATJQCZOUFQO-UHFFFAOYSA-N 0 1 339.414 3.557 20 30 EHEDMN FC(F)(F)[C@H]1CCC[C@H](CN2CCC3(CC2)C(F)(F)C3(F)F)O1 ZINC000930847166 1039841474 /nfs/dbraw/zinc/84/14/74/1039841474.db2.gz CFQMEDFVLBDWNK-NXEZZACHSA-N 0 1 349.290 3.853 20 30 EHEDMN C=C[C@H]1CCCC[N@@H+]1CC(=O)N1CCC[C@H]1c1ccc(OCC)cc1 ZINC000489478179 1040019786 /nfs/dbraw/zinc/01/97/86/1040019786.db2.gz PCBSLANSCROMJH-ICSRJNTNSA-N 0 1 342.483 3.789 20 30 EHEDMN C=C[C@H]1CCCCN1CC(=O)N1CCC[C@H]1c1ccc(OCC)cc1 ZINC000489478179 1040019801 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N#C[C@@H](C(=O)c1cnc(-c2ccccn2)s1)c1nc2ccccc2[nH]1 ZINC000136105486 1123667353 /nfs/dbraw/zinc/66/73/53/1123667353.db2.gz HZQGHYIRHRIQEO-NSHDSACASA-N 0 1 345.387 3.571 20 30 EHEDMN N#CC(C(=O)c1cnc(-c2ccccn2)s1)c1nc2ccccc2[nH]1 ZINC000136105486 1123667357 /nfs/dbraw/zinc/66/73/57/1123667357.db2.gz HZQGHYIRHRIQEO-NSHDSACASA-N 0 1 345.387 3.571 20 30 EHEDMN CCOc1c(OC)cc(/C=C/C(=O)c2ccc(O)c(F)c2)cc1OC ZINC000170851731 1123748533 /nfs/dbraw/zinc/74/85/33/1123748533.db2.gz DPAAQYINBOPIGT-FNORWQNLSA-N 0 1 346.354 3.843 20 30 EHEDMN N#Cc1ccc(C(=O)Nc2cc(F)ccc2N2CCCCC2)cc1O ZINC000615473356 1123809540 /nfs/dbraw/zinc/80/95/40/1123809540.db2.gz SLQLQEVJCCPXJT-UHFFFAOYSA-N 0 1 339.370 3.646 20 30 EHEDMN CCOc1cc(CN[C@H](C)c2cccc(C#N)c2)ccc1[N+](=O)[O-] ZINC000617217473 1124101027 /nfs/dbraw/zinc/10/10/27/1124101027.db2.gz IOBDEUOESGFUBF-CYBMUJFWSA-N 0 1 325.368 3.716 20 30 EHEDMN C=CCCC1(CNC(=O)c2c(C)n[nH]c2C(F)(F)F)CCCC1 ZINC000617417080 1124518944 /nfs/dbraw/zinc/51/89/44/1124518944.db2.gz KNIQJICMZZDKKO-UHFFFAOYSA-N 0 1 329.366 3.993 20 30 EHEDMN COCCC(N=Nc1ccc([N+](=O)[O-])cc1OC)c1ccc(F)cc1 ZINC000734748919 1131271570 /nfs/dbraw/zinc/27/15/70/1131271570.db2.gz ZGNGNYJMPMOTCA-UHFFFAOYSA-N 0 1 347.346 3.595 20 30 EHEDMN N#C[C@@H](c1ccc(F)cc1)N1CCN([C@H]2CCc3ccccc32)CC1 ZINC000618754194 1125191263 /nfs/dbraw/zinc/19/12/63/1125191263.db2.gz KBKZFFIZMKCGGT-SFTDATJTSA-N 0 1 335.426 3.695 20 30 EHEDMN CC(C)COc1ncc(C(=O)C(C#N)c2ccccn2)cc1Cl ZINC000182866363 1125385295 /nfs/dbraw/zinc/38/52/95/1125385295.db2.gz YQDXZZXMCUBFIO-ZDUSSCGKSA-N 0 1 329.787 3.655 20 30 EHEDMN C[C@@H](N[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccsc1 ZINC000619746223 1125399416 /nfs/dbraw/zinc/39/94/16/1125399416.db2.gz FNNKNTUAUUWFCO-KGLIPLIRSA-N 0 1 345.443 3.873 20 30 EHEDMN C[C@H](NCC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccsc1 ZINC000619783792 1125404029 /nfs/dbraw/zinc/40/40/29/1125404029.db2.gz YWMSSBSTBMKRFR-ZDUSSCGKSA-N 0 1 347.871 3.999 20 30 EHEDMN Cc1[nH+]ccn1-c1ccc(C(=O)/C=C\c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000255845059 1129210072 /nfs/dbraw/zinc/21/00/72/1129210072.db2.gz NWMUVQDDCRXXTC-WAPJZHGLSA-N 0 1 349.346 3.691 20 30 EHEDMN CCOC(=O)c1csc(C(C#N)C(=O)C=CC2CCCCC2)n1 ZINC000735595397 1131364675 /nfs/dbraw/zinc/36/46/75/1131364675.db2.gz AZSLHWWMOKPJFC-YXVBKTCISA-N 0 1 332.425 3.633 20 30 EHEDMN N#Cc1ccc(Br)c(CNC[C@@H]2CCC3(CCC3)O2)c1 ZINC000922336840 1129477812 /nfs/dbraw/zinc/47/78/12/1129477812.db2.gz DOVNGSBOFKADQF-AWEZNQCLSA-N 0 1 335.245 3.512 20 30 EHEDMN CC1CCC(N2CCN(C(=O)c3ccc(Cl)c(C#N)c3)CC2)CC1 ZINC000543481384 1129517088 /nfs/dbraw/zinc/51/70/88/1129517088.db2.gz UZUAMJNBFDTIOE-UHFFFAOYSA-N 0 1 345.874 3.548 20 30 EHEDMN COc1cccc([C@@H](C)C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)c1 ZINC000735788755 1131379676 /nfs/dbraw/zinc/37/96/76/1131379676.db2.gz HFHSQRFEPHEUIC-CZUORRHYSA-N 0 1 333.391 3.860 20 30 EHEDMN N#CC(C(=O)c1cccc2nccnc21)c1nc2ccccc2s1 ZINC000544556554 1129592999 /nfs/dbraw/zinc/59/29/99/1129592999.db2.gz TVOYZBHSHBPMFS-LBPRGKRZSA-N 0 1 330.372 3.730 20 30 EHEDMN N#Cc1ccc2ncc(CN3CC[C@H](CSc4ccccc4)C3)n2c1 ZINC000093757024 1129602049 /nfs/dbraw/zinc/60/20/49/1129602049.db2.gz LLNQYTIYVFSSSY-KRWDZBQOSA-N 0 1 348.475 3.820 20 30 EHEDMN CN1CC[C@H](NCc2cccc(F)c2C#N)[C@H]1c1ccc(Cl)cc1 ZINC000428979237 1129657964 /nfs/dbraw/zinc/65/79/64/1129657964.db2.gz QZNJENDWCLWOTO-RBUKOAKNSA-N 0 1 343.833 3.886 20 30 EHEDMN C[C@@H](N[C@@H](C)c1cc2ccccc2o1)C(=O)Nc1cccc(C#N)c1 ZINC000173264969 1130200447 /nfs/dbraw/zinc/20/04/47/1130200447.db2.gz COVWNVBOSGGEFN-UONOGXRCSA-N 0 1 333.391 3.982 20 30 EHEDMN C[C@H](N[C@@H](C)c1cc2ccccc2o1)C(=O)Nc1ccccc1C#N ZINC000173266540 1130200567 /nfs/dbraw/zinc/20/05/67/1130200567.db2.gz NEXKXBQTPFJUBU-KBPBESRZSA-N 0 1 333.391 3.982 20 30 EHEDMN C=C[C@H](C)NC(=O)[C@H](c1cccc(C(F)(F)F)c1)N(CC)CC ZINC000674955684 1130230800 /nfs/dbraw/zinc/23/08/00/1130230800.db2.gz GARAMJMXDXEDQL-WFASDCNBSA-N 0 1 328.378 3.779 20 30 EHEDMN C=CCN1C(=O)N=NC1SCCCc1ccc(C(F)(F)F)cc1 ZINC000675296097 1130303380 /nfs/dbraw/zinc/30/33/80/1130303380.db2.gz QXCOJVYFJMRBST-UHFFFAOYSA-N 0 1 343.374 3.913 20 30 EHEDMN CCN(CC(=O)N1CCc2ccccc2C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741632 1130399896 /nfs/dbraw/zinc/39/98/96/1130399896.db2.gz SSNRZHJTRBBOFD-KRWDZBQOSA-N 0 1 347.462 3.526 20 30 EHEDMN COC(=O)C1CCC(/N=C/c2cc(Cl)cc(Cl)c2O)CC1 ZINC000730147170 1130679371 /nfs/dbraw/zinc/67/93/71/1130679371.db2.gz LPYVIRVOPPKVSW-QGMBQPNBSA-N 0 1 330.211 3.850 20 30 EHEDMN CCc1cc(N=NCc2ccc(F)cc2F)nc(-c2ccccn2)n1 ZINC000730464120 1130713588 /nfs/dbraw/zinc/71/35/88/1130713588.db2.gz HHBJERZTIPSAMV-UHFFFAOYSA-N 0 1 339.349 3.825 20 30 EHEDMN N#CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000731213904 1130777648 /nfs/dbraw/zinc/77/76/48/1130777648.db2.gz CVVXDKBSYFSRRC-SFHVURJKSA-N 0 1 336.391 3.655 20 30 EHEDMN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cc(Cl)ccc1O ZINC000731456734 1130801638 /nfs/dbraw/zinc/80/16/38/1130801638.db2.gz FCTFZNKEDWWRJT-UHFFFAOYSA-N 0 1 341.754 3.862 20 30 EHEDMN CCn1c(=O)c2ccccc2nc1N=NC(c1ccccc1C)C1CC1 ZINC000731925133 1130858458 /nfs/dbraw/zinc/85/84/58/1130858458.db2.gz QQHIQPCFCTZWRX-UHFFFAOYSA-N 0 1 346.434 3.951 20 30 EHEDMN CC(N=Nc1ccc(Br)nc1)c1ccc2c(c1)CCO2 ZINC000732712264 1130948287 /nfs/dbraw/zinc/94/82/87/1130948287.db2.gz YDZPFMBXIXLIEE-UHFFFAOYSA-N 0 1 332.201 3.615 20 30 EHEDMN N#CCCn1cc(C=NNc2cnnc3ccccc32)c2ccccc21 ZINC000733750024 1131075434 /nfs/dbraw/zinc/07/54/34/1131075434.db2.gz JQLVGAIUWBLXNR-UHFFFAOYSA-N 0 1 340.390 3.944 20 30 EHEDMN C=CCOCCC[N@@H+]1CCC[C@H]1c1nc(-c2ccc(F)cc2)c[nH]1 ZINC000348023282 1131122093 /nfs/dbraw/zinc/12/20/93/1131122093.db2.gz AKTZZRHSHLQZOJ-SFHVURJKSA-N 0 1 329.419 3.945 20 30 EHEDMN C=CCOCCCN1CCC[C@H]1c1nc(-c2ccc(F)cc2)c[nH]1 ZINC000348023282 1131122096 /nfs/dbraw/zinc/12/20/96/1131122096.db2.gz AKTZZRHSHLQZOJ-SFHVURJKSA-N 0 1 329.419 3.945 20 30 EHEDMN C[C@@H]1CN(Cc2ccccn2)CCC1=NNCCCc1ccccc1 ZINC000734364776 1131225309 /nfs/dbraw/zinc/22/53/09/1131225309.db2.gz FJPWSGLHOFYAID-GOSISDBHSA-N 0 1 336.483 3.502 20 30 EHEDMN C(#Cc1ccccc1)CNCc1ccc(OCc2ccccn2)cc1 ZINC000736355529 1131418188 /nfs/dbraw/zinc/41/81/88/1131418188.db2.gz QEAXWYCBWCITNJ-UHFFFAOYSA-N 0 1 328.415 3.802 20 30 EHEDMN COc1ccc(CN[C@@H]2CCCOc3ccc(F)cc32)cc1C#N ZINC000742367522 1131711181 /nfs/dbraw/zinc/71/11/81/1131711181.db2.gz BCMNJPAZDUCIOF-QGZVFWFLSA-N 0 1 326.371 3.709 20 30 EHEDMN CCCCCCCC[C@H](CC)N1CCc2c(nnn2C)[C@H]1COC ZINC001172505959 1131762305 /nfs/dbraw/zinc/76/23/05/1131762305.db2.gz XVPXQQQSEMKFEI-FUHWJXTLSA-N 0 1 336.524 3.890 20 30 EHEDMN C#CCN(CC#C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](CCCC)C1 ZINC001172641215 1131797010 /nfs/dbraw/zinc/79/70/10/1131797010.db2.gz FKQSDDJTIDMVDN-ROUUACIJSA-N 0 1 332.488 3.513 20 30 EHEDMN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC(C(C)C)CC2)cc1 ZINC000743852336 1131986021 /nfs/dbraw/zinc/98/60/21/1131986021.db2.gz WYGWMFNSRBFRJR-GOSISDBHSA-N 0 1 341.499 3.998 20 30 EHEDMN N#CCC1CCC(NC2(c3cccc(Br)c3)COC2)CC1 ZINC001173330011 1132049601 /nfs/dbraw/zinc/04/96/01/1132049601.db2.gz REBIQAIVJXXZAG-UHFFFAOYSA-N 0 1 349.272 3.737 20 30 EHEDMN N#CCC1CCC(N2CCN(C(=O)c3cccc(Cl)c3)CC2)CC1 ZINC001173336893 1132052413 /nfs/dbraw/zinc/05/24/13/1132052413.db2.gz QHUGQZRCOCNFBF-UHFFFAOYSA-N 0 1 345.874 3.570 20 30 EHEDMN N#CCC1CCC(N2CCN(C(=O)c3ccccc3Cl)CC2)CC1 ZINC001173337591 1132052472 /nfs/dbraw/zinc/05/24/72/1132052472.db2.gz PNUNRFVQWILTHS-UHFFFAOYSA-N 0 1 345.874 3.570 20 30 EHEDMN CN1CCc2c(C#N)c(Nc3cnn(Cc4ccccc4)c3)sc2C1 ZINC001174131366 1132247409 /nfs/dbraw/zinc/24/74/09/1132247409.db2.gz JQTXUJHXAAWWEG-UHFFFAOYSA-N 0 1 349.463 3.596 20 30 EHEDMN CN1CCN(c2ccc(Nc3c(F)cc(C#N)cc3Cl)cc2)CC1 ZINC001174814651 1132469434 /nfs/dbraw/zinc/46/94/34/1132469434.db2.gz QXSARCCYQNXWAM-UHFFFAOYSA-N 0 1 344.821 3.846 20 30 EHEDMN FC(F)(F)c1cccc(NN=Cc2ccn(-c3ccccc3)n2)n1 ZINC000766706502 1132755347 /nfs/dbraw/zinc/75/53/47/1132755347.db2.gz ZDCVUSFOZFFWEZ-UHFFFAOYSA-N 0 1 331.301 3.732 20 30 EHEDMN C#CC1(NC(=O)c2cccc3nc(-c4cccs4)[nH]c32)CCCC1 ZINC001175863201 1132786798 /nfs/dbraw/zinc/78/67/98/1132786798.db2.gz QSTVKDATRQMZER-UHFFFAOYSA-N 0 1 335.432 3.967 20 30 EHEDMN C#CCCC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000766907088 1132916861 /nfs/dbraw/zinc/91/68/61/1132916861.db2.gz PCROPFPYYLQVCM-HNNXBMFYSA-N 0 1 325.239 3.810 20 30 EHEDMN C#CCCCN1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000766907088 1132916865 /nfs/dbraw/zinc/91/68/65/1132916865.db2.gz PCROPFPYYLQVCM-HNNXBMFYSA-N 0 1 325.239 3.810 20 30 EHEDMN COC(=O)c1cc(C#N)cc(C)c1Nc1c(F)cc(F)c(O)c1F ZINC001176672985 1132979380 /nfs/dbraw/zinc/97/93/80/1132979380.db2.gz QVYWFDAQXIMLFK-UHFFFAOYSA-N 0 1 336.269 3.520 20 30 EHEDMN C=CC[C@@H]1N(C(=O)c2n[nH]c(C)c2Br)CCCC1(C)C ZINC000768097277 1133092019 /nfs/dbraw/zinc/09/20/19/1133092019.db2.gz HKBRTUXZYJFPIN-NSHDSACASA-N 0 1 340.265 3.688 20 30 EHEDMN CC[C@@H](CSC)N(C)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000773711337 1133108354 /nfs/dbraw/zinc/10/83/54/1133108354.db2.gz MXOBQACPJJRICE-KRWDZBQOSA-N 0 1 347.528 3.624 20 30 EHEDMN CC(=O)OCc1cccc(Cl)c1Nc1cc(C#N)c(F)cc1O ZINC001212777934 1133109635 /nfs/dbraw/zinc/10/96/35/1133109635.db2.gz IBJBHRCBSURTOJ-UHFFFAOYSA-N 0 1 334.734 3.863 20 30 EHEDMN N#Cc1ccc(CNCc2cccc(COc3ccccc3)c2)nc1 ZINC001178856308 1133207470 /nfs/dbraw/zinc/20/74/70/1133207470.db2.gz XNFXYCPITPYJCG-UHFFFAOYSA-N 0 1 329.403 3.822 20 30 EHEDMN C[C@H]1C[C@@H]1C(=O)C(C#N)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000769281570 1133254204 /nfs/dbraw/zinc/25/42/04/1133254204.db2.gz JTFFBKPCZBIJHP-CWRNSKLLSA-N 0 1 334.375 3.782 20 30 EHEDMN COCCN(CCCOc1ccc(F)cc1)Cc1csc(C#N)c1 ZINC001179863668 1133295811 /nfs/dbraw/zinc/29/58/11/1133295811.db2.gz RGNWYQYZASQUHT-UHFFFAOYSA-N 0 1 348.443 3.676 20 30 EHEDMN C=CCCOC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000769664849 1133327485 /nfs/dbraw/zinc/32/74/85/1133327485.db2.gz MJXGPDBFFQIQPO-UHFFFAOYSA-N 0 1 326.440 3.527 20 30 EHEDMN Cc1nn(-c2ccncc2)cc1CN=Nc1c(F)cccc1Cl ZINC000769826243 1133352764 /nfs/dbraw/zinc/35/27/64/1133352764.db2.gz BPQIJCJXPLAELW-UHFFFAOYSA-N 0 1 329.766 3.814 20 30 EHEDMN COc1ccc(C(C)N=Nc2c(C)cccc2F)cc1NC(C)=O 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