smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C=NN2CC[NH+](C)CC2)ccc1C(=O)[O-] ZINC001607635256 1164247766 /nfs/dbraw/zinc/24/77/66/1164247766.db2.gz UQBGWHDYRDNPEF-UHFFFAOYSA-N 0 1 261.325 1.275 20 30 CDEDMN C[C@H]1CN(c2nc3c(cc2C#N)COCC3)[C@@H](C)CN1C ZINC001164637191 719247366 /nfs/dbraw/zinc/24/73/66/719247366.db2.gz UNAFMNYBEVYCGR-RYUDHWBXSA-N 0 1 286.379 1.555 20 30 CDEDMN Cc1cc(C#N)c(N2C[C@H]3OCCN(C)[C@H]3C2)nc1C ZINC001164666147 719386924 /nfs/dbraw/zinc/38/69/24/719386924.db2.gz JJWPKYZYMVOQLY-UONOGXRCSA-N 0 1 272.352 1.089 20 30 CDEDMN N#Cc1[nH]cnc1NC(=O)c1ccnc(C(F)F)c1 ZINC001193639276 1164394754 /nfs/dbraw/zinc/39/47/54/1164394754.db2.gz HTCRHPMUSPCFCO-UHFFFAOYSA-N 0 1 263.207 1.866 20 30 CDEDMN Cc1cnc(N2CCN(C3CCCC3)CC2)c(C#N)n1 ZINC001165031644 721859220 /nfs/dbraw/zinc/85/92/20/721859220.db2.gz GNQKGLXPICPIHW-UHFFFAOYSA-N 0 1 271.368 1.721 20 30 CDEDMN N#CC[C@H]1CCC[N@H+](Cc2ccc(C(=O)[O-])cn2)C1 ZINC001608181903 1164439721 /nfs/dbraw/zinc/43/97/21/1164439721.db2.gz PTFOEBWAZCOIHV-LLVKDONJSA-N 0 1 259.309 1.905 20 30 CDEDMN COCC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C(C)(C)C ZINC001114469826 1165226189 /nfs/dbraw/zinc/22/61/89/1165226189.db2.gz VVIFKYOBWKXXKQ-BYNSBNAKSA-N 0 1 292.423 1.365 20 30 CDEDMN CC(=O)[C@@H](C)N1CC[C@]2(CCCN2CCCCC#N)C1=O ZINC001274044205 1166568558 /nfs/dbraw/zinc/56/85/58/1166568558.db2.gz ZYDJMMCGUYHDEN-CZUORRHYSA-N 0 1 291.395 1.725 20 30 CDEDMN C=CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC001602835544 1167833276 /nfs/dbraw/zinc/83/32/76/1167833276.db2.gz RYMBFTSWXGUKKK-STQMWFEESA-N 0 1 253.342 1.907 20 30 CDEDMN C#CCN1CC[C@H](NC(=O)c2ccc3c(c2)COC3)[C@H]1C ZINC001088915444 912274261 /nfs/dbraw/zinc/27/42/61/912274261.db2.gz DAILDYNUBDZBFN-WBMJQRKESA-N 0 1 284.359 1.543 20 30 CDEDMN C#CCN1CC[C@H](NC(=O)[C@H]2CCc3ccccc3O2)[C@H]1C ZINC001088928807 912303374 /nfs/dbraw/zinc/30/33/74/912303374.db2.gz RCKZPPPVQMLRAY-UKPHBRMFSA-N 0 1 298.386 1.592 20 30 CDEDMN C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(CC#CC)C[C@H]1O ZINC001099941890 912340770 /nfs/dbraw/zinc/34/07/70/912340770.db2.gz ISSOZNDUYSNTRQ-ZIAGYGMSSA-N 0 1 278.396 1.163 20 30 CDEDMN CCOC(=O)[C@H]1CN(C2CCC(CC#N)CC2)CCO1 ZINC001173338345 912436147 /nfs/dbraw/zinc/43/61/47/912436147.db2.gz DQKLMFJWDUGCRO-JXQTWKCFSA-N 0 1 280.368 1.723 20 30 CDEDMN N#CCC1CCC(N2C[C@@H]3COC[C@H](C2)C3=O)CC1 ZINC001173341533 912436653 /nfs/dbraw/zinc/43/66/53/912436653.db2.gz YXPSGKSUCXQJIL-AKJUYKBHSA-N 0 1 262.353 1.606 20 30 CDEDMN C#CCN1CC[C@H](NC(=O)C[C@@H]2CCCOC2)[C@H]1C ZINC001089044001 912526816 /nfs/dbraw/zinc/52/68/16/912526816.db2.gz IWDPOTTYWDRGEB-RDBSUJKOSA-N 0 1 264.369 1.015 20 30 CDEDMN N#Cc1cccc(CN2CCCC[C@@](O)(CF)C2)n1 ZINC001232922531 912608357 /nfs/dbraw/zinc/60/83/57/912608357.db2.gz QPFBYNBXFKGOKP-CQSZACIVSA-N 0 1 263.316 1.640 20 30 CDEDMN CCOC(=O)C[C@@H]1CC[C@H](N2CC[C@@H](C#N)C2)C1 ZINC001173647807 912719456 /nfs/dbraw/zinc/71/94/56/912719456.db2.gz BKAYOSTXSHSGHW-AGIUHOORSA-N 0 1 250.342 1.954 20 30 CDEDMN C[C@]1(C#N)CCN([C@H]2CCC[C@@H](n3ncnn3)C2)C1 ZINC001173768999 912829712 /nfs/dbraw/zinc/82/97/12/912829712.db2.gz NSTUSHKBPJDWSA-YNEHKIRRSA-N 0 1 260.345 1.392 20 30 CDEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C1CC1)C2 ZINC001095275199 912926549 /nfs/dbraw/zinc/92/65/49/912926549.db2.gz DVZZJZAEXRMPHR-ATGSNQNLSA-N 0 1 260.381 1.777 20 30 CDEDMN CC#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(C)c1)C2 ZINC001095310401 913208373 /nfs/dbraw/zinc/20/83/73/913208373.db2.gz SYGSRHBOHMHFKL-ILXRZTDVSA-N 0 1 271.364 1.384 20 30 CDEDMN C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@]2(C)C=CCC2)C1 ZINC001077520837 913249850 /nfs/dbraw/zinc/24/98/50/913249850.db2.gz ZBQKKALWQGHJOG-UMVBOHGHSA-N 0 1 264.369 1.080 20 30 CDEDMN C=CCN1CC2(CCC1=O)CCN(Cc1c[nH]nn1)CC2 ZINC001272570469 913463422 /nfs/dbraw/zinc/46/34/22/913463422.db2.gz UCASVZNSBZTCOT-UHFFFAOYSA-N 0 1 289.383 1.195 20 30 CDEDMN C[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001168464647 913554314 /nfs/dbraw/zinc/55/43/14/913554314.db2.gz IPUTYHGDWHZOOL-KWBADKCTSA-N 0 1 266.316 1.582 20 30 CDEDMN C=C(C)C(C)(C)C(=O)N[C@@H]1CCN(CCOCC)C1 ZINC001266333706 894425643 /nfs/dbraw/zinc/42/56/43/894425643.db2.gz SIVUNNHUJXJPPE-CYBMUJFWSA-N 0 1 268.401 1.816 20 30 CDEDMN C=C(Cl)CNCCNC(=O)c1ncccc1C ZINC001125424728 895429419 /nfs/dbraw/zinc/42/94/19/895429419.db2.gz QGSYEOXWLITPCK-UHFFFAOYSA-N 0 1 253.733 1.462 20 30 CDEDMN N#Cc1cccc(S(=O)(=O)Nc2ccnnc2)c1 ZINC000706543360 895513165 /nfs/dbraw/zinc/51/31/65/895513165.db2.gz LWJQVHRCKNGRIC-UHFFFAOYSA-N 0 1 260.278 1.149 20 30 CDEDMN C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC34CCC4)[C@H]2C1 ZINC001083209021 895529903 /nfs/dbraw/zinc/52/99/03/895529903.db2.gz MNNLGCJUPMWJBQ-QLFBSQMISA-N 0 1 290.407 1.664 20 30 CDEDMN C=CCn1cc(Nc2oncc2C(=O)OCC)cn1 ZINC001176541716 914167853 /nfs/dbraw/zinc/16/78/53/914167853.db2.gz APESNULHQPRWCH-UHFFFAOYSA-N 0 1 262.269 1.977 20 30 CDEDMN N#Cc1ccc(CCNc2ncc3nc[nH]c3n2)cc1 ZINC001167677412 897778387 /nfs/dbraw/zinc/77/83/87/897778387.db2.gz ZWJPRGHTEOYXGL-UHFFFAOYSA-N 0 1 264.292 1.831 20 30 CDEDMN C=C(Br)CNCCNC(=O)[C@H]1CC1(C)C ZINC001125784499 898018781 /nfs/dbraw/zinc/01/87/81/898018781.db2.gz YTBIHPCMICCRQR-SECBINFHSA-N 0 1 275.190 1.647 20 30 CDEDMN C#CCN1CCC(OC(=O)c2cn(C)nc2C(F)F)CC1 ZINC001123250402 914277881 /nfs/dbraw/zinc/27/78/81/914277881.db2.gz MJRWZNQYNSPQSX-UHFFFAOYSA-N 0 1 297.305 1.612 20 30 CDEDMN C=CC(C)(C)CC(=O)N1CC(n2cc(CNCC)nn2)C1 ZINC001105249380 899983952 /nfs/dbraw/zinc/98/39/52/899983952.db2.gz SDDUCEFLFIHAOB-UHFFFAOYSA-N 0 1 291.399 1.373 20 30 CDEDMN N#C[C@@H](Cc1ccc(O)cc1)C(=O)N1CCNC2(CC2)C1 ZINC001161551033 901043310 /nfs/dbraw/zinc/04/33/10/901043310.db2.gz ZAECVXOIUWTERE-CYBMUJFWSA-N 0 1 285.347 1.039 20 30 CDEDMN Cc1ncc(C(=O)N(C)CCN(C)c2ccc(C#N)cn2)[nH]1 ZINC001105353002 901248968 /nfs/dbraw/zinc/24/89/68/901248968.db2.gz IQCCIVNDOHXHFE-UHFFFAOYSA-N 0 1 298.350 1.193 20 30 CDEDMN Cc1ncc(C(=O)N(C)CCN(C)c2ccncc2C#N)[nH]1 ZINC001105353084 901250724 /nfs/dbraw/zinc/25/07/24/901250724.db2.gz LTUYUCHOECTXHT-UHFFFAOYSA-N 0 1 298.350 1.193 20 30 CDEDMN O=C(C=CNC(=O)[C@H]1CCc2[nH]cnc2C1)C(F)(F)F ZINC001177184774 914528716 /nfs/dbraw/zinc/52/87/16/914528716.db2.gz UMAIDZXJJJNIKP-SDLBARTOSA-N 0 1 287.241 1.276 20 30 CDEDMN C=C(Cl)CN[C@H](CC)CNC(=O)C[C@H]1CCOC1 ZINC001481798446 902142413 /nfs/dbraw/zinc/14/24/13/902142413.db2.gz REZUWLHFZRWEOW-VXGBXAGGSA-N 0 1 274.792 1.650 20 30 CDEDMN C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cnn[nH]2)CC(C)(C)C1 ZINC001089427523 914664474 /nfs/dbraw/zinc/66/44/74/914664474.db2.gz RHXFCNHDBYMYCZ-GFCCVEGCSA-N 0 1 291.399 1.601 20 30 CDEDMN C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cnn[nH]2)CC(C)(C)C1 ZINC001089427523 914664486 /nfs/dbraw/zinc/66/44/86/914664486.db2.gz RHXFCNHDBYMYCZ-GFCCVEGCSA-N 0 1 291.399 1.601 20 30 CDEDMN C=CCN1CC[C@@]2(CCCN2C(=O)CN(CC)CC)C1=O ZINC001269186486 903518714 /nfs/dbraw/zinc/51/87/14/903518714.db2.gz JWAWOEXRBHVYOE-INIZCTEOSA-N 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C#CCNCC(=O)N(C)Cc1cc(OC)c(OC)cc1C ZINC000727238784 574557471 /nfs/dbraw/zinc/55/74/71/574557471.db2.gz XEZGDXXHDXEEQM-UHFFFAOYSA-N 0 1 290.363 1.193 20 30 CDEDMN FC(F)CNN=C1CCN(Cc2ccccn2)CC1 ZINC000740617650 574664268 /nfs/dbraw/zinc/66/42/68/574664268.db2.gz LTVPLRVYMANUEF-UHFFFAOYSA-N 0 1 268.311 1.888 20 30 CDEDMN CN1CCC(C#N)(NC(=O)c2cc(N)nc(Cl)c2)CC1 ZINC000728960604 574678151 /nfs/dbraw/zinc/67/81/51/574678151.db2.gz LZIXLDMRJYAVGA-UHFFFAOYSA-N 0 1 293.758 1.035 20 30 CDEDMN C#CC[N@@H+](Cc1ccc(F)cc1)C[C@](C)(O)C(=O)[O-] ZINC000736079179 575555193 /nfs/dbraw/zinc/55/51/93/575555193.db2.gz IWYOPTSNNVSLFI-AWEZNQCLSA-N 0 1 265.284 1.097 20 30 CDEDMN C[C@@H](C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C#N)C(=O)[O-] ZINC000736571207 575693633 /nfs/dbraw/zinc/69/36/33/575693633.db2.gz JHILXXCSKVNTIR-QWRGUYRKSA-N 0 1 289.335 1.538 20 30 CDEDMN C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(C(=O)[O-])CC1 ZINC000736715411 575727209 /nfs/dbraw/zinc/72/72/09/575727209.db2.gz SYXAMUACTYNXES-LLVKDONJSA-N 0 1 259.309 1.915 20 30 CDEDMN CC[N@@H+](C[C@](C)(O)C(=O)[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000737079143 575813488 /nfs/dbraw/zinc/81/34/88/575813488.db2.gz KXIKDLVFMFMEEE-NHYWBVRUSA-N 0 1 276.336 1.777 20 30 CDEDMN CN1CC[C@H](C(=O)[C@@H](C#N)c2nc3ccccc3n2C)C1=O ZINC000773943857 575845377 /nfs/dbraw/zinc/84/53/77/575845377.db2.gz PEHHNSLCNOZJMT-GHMZBOCLSA-N 0 1 296.330 1.228 20 30 CDEDMN N#CCCCOC(=O)c1ccc2c(C=O)[nH]nc2c1 ZINC000766184999 576084132 /nfs/dbraw/zinc/08/41/32/576084132.db2.gz RZDBIXBCMCHQKW-UHFFFAOYSA-N 0 1 257.249 1.836 20 30 CDEDMN COCCCNC(=O)C(C#N)C(=O)[C@H]1CC12CCC2 ZINC000759820641 576434227 /nfs/dbraw/zinc/43/42/27/576434227.db2.gz FJXIJJXKQMTOGP-GHMZBOCLSA-N 0 1 264.325 1.038 20 30 CDEDMN CN(C)c1ccc2c(c1)NC(=O)C2=NNc1cnn(C)c1 ZINC000761864168 576599584 /nfs/dbraw/zinc/59/95/84/576599584.db2.gz FVPOEUVFCNJXTK-UHFFFAOYSA-N 0 1 284.323 1.254 20 30 CDEDMN C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)CCc1nc[nH]n1 ZINC000764004935 576772453 /nfs/dbraw/zinc/77/24/53/576772453.db2.gz 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CDEDMN CC1(C(N)=O)CCN(Cc2ccnc(C#N)c2)CC1 ZINC001237470412 944802473 /nfs/dbraw/zinc/80/24/73/944802473.db2.gz OZWIHASOIJLZGR-UHFFFAOYSA-N 0 1 258.325 1.041 20 30 CDEDMN CN(Cc1cn2cc(C#N)ccc2n1)CC1COC1 ZINC001237606359 944877933 /nfs/dbraw/zinc/87/79/33/944877933.db2.gz LBOWHQJTHTWANX-UHFFFAOYSA-N 0 1 256.309 1.284 20 30 CDEDMN C[C@H]1CC(NC(=O)c2cc(-n3ccnc3)ccc2O)=NO1 ZINC001362305516 971138805 /nfs/dbraw/zinc/13/88/05/971138805.db2.gz CUHGRZUXMKIECF-VIFPVBQESA-N 0 1 286.291 1.430 20 30 CDEDMN N#Cc1ccc(CN2CC[C@H]3CNC(=O)[C@H]3C2)c(Cl)c1 ZINC001238086679 945053776 /nfs/dbraw/zinc/05/37/76/945053776.db2.gz MCHZNHTVGAMULJ-AAEUAGOBSA-N 0 1 289.766 1.780 20 30 CDEDMN N#Cc1cncnc1-c1ccc(C(=O)N2CCNCC2)cc1 ZINC001240112834 945677850 /nfs/dbraw/zinc/67/78/50/945677850.db2.gz RBMHXRMDQSFRLU-UHFFFAOYSA-N 0 1 293.330 1.061 20 30 CDEDMN C=CCS(=O)(=O)Nc1ccccc1N1CCN(C)CC1 ZINC001259929376 945713412 /nfs/dbraw/zinc/71/34/12/945713412.db2.gz BVXFPNOJRMBAAS-UHFFFAOYSA-N 0 1 295.408 1.366 20 30 CDEDMN 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C=CC[C@@H](C(=O)OC)[N@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001602718749 971376351 /nfs/dbraw/zinc/37/63/51/971376351.db2.gz UZLFYVQFYDLRKA-KBPBESRZSA-N 0 1 289.331 1.788 20 30 CDEDMN C=CC[C@@H](C(=O)OC)[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001602718749 971376357 /nfs/dbraw/zinc/37/63/57/971376357.db2.gz UZLFYVQFYDLRKA-KBPBESRZSA-N 0 1 289.331 1.788 20 30 CDEDMN Cc1ccn2c(c1)nnc2CN[C@@H]1CC[C@H](C#N)C1 ZINC001254634380 947562739 /nfs/dbraw/zinc/56/27/39/947562739.db2.gz CSZSGLLUIGLQAP-NWDGAFQWSA-N 0 1 255.325 1.820 20 30 CDEDMN N#Cc1cnc(C2=CC[C@@H](N3CCOCC3)CC2)cn1 ZINC001245418162 947663101 /nfs/dbraw/zinc/66/31/01/947663101.db2.gz GVSWRYKJUHZSIE-CQSZACIVSA-N 0 1 270.336 1.616 20 30 CDEDMN Cc1cnc(C2=CC[C@@H](N3CCOCC3)CC2)c(C#N)n1 ZINC001245419280 947666659 /nfs/dbraw/zinc/66/66/59/947666659.db2.gz NTEAJCPLPHSWHS-CQSZACIVSA-N 0 1 284.363 1.925 20 30 CDEDMN CC(=O)[C@](C#N)(CC[N@H+](C)CC(=O)[O-])c1ccccc1 ZINC001602737825 971432285 /nfs/dbraw/zinc/43/22/85/971432285.db2.gz 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JGSYTHOJOBYMSP-UHFFFAOYSA-N 0 1 268.401 1.912 20 30 CDEDMN C=CCOC[C@H](O)CN1CCC[C@@H](c2noc(C)n2)C1 ZINC001252461988 951310053 /nfs/dbraw/zinc/31/00/53/951310053.db2.gz XNXCPYNWOHIXBY-CHWSQXEVSA-N 0 1 281.356 1.121 20 30 CDEDMN C=C[C@@](C)(O)CN1Cc2cn(CC)nc2[C@H](COCC)C1 ZINC001252549993 951439157 /nfs/dbraw/zinc/43/91/57/951439157.db2.gz IPOCHHOFGZUAAE-GOEBONIOSA-N 0 1 293.411 1.776 20 30 CDEDMN C=C[C@@](C)(O)CN1CCOC[C@H]1Cc1ccccc1 ZINC001252558560 951451983 /nfs/dbraw/zinc/45/19/83/951451983.db2.gz XRFPMBNHPXQGLC-HZPDHXFCSA-N 0 1 261.365 1.867 20 30 CDEDMN C=C[C@](C)(O)CNCc1ccnc(OCC2CCC2)n1 ZINC001252582988 951477545 /nfs/dbraw/zinc/47/75/45/951477545.db2.gz AMTXEEGNTLGDGV-HNNXBMFYSA-N 0 1 277.368 1.682 20 30 CDEDMN C=C[C@](C)(O)CNCc1ccn(CC(F)(F)F)n1 ZINC001252584129 951479396 /nfs/dbraw/zinc/47/93/96/951479396.db2.gz YDPVGYDPINEHPX-JTQLQIEISA-N 0 1 263.263 1.472 20 30 CDEDMN C=CCC[C@@H](O)CNCc1cn(Cc2ccccn2)cn1 ZINC001252622657 951516339 /nfs/dbraw/zinc/51/63/39/951516339.db2.gz YJSFJLJMVXYQPK-MRXNPFEDSA-N 0 1 286.379 1.743 20 30 CDEDMN N#Cc1ccccc1CNC[C@@H](O)COCc1ccco1 ZINC001252653688 951540338 /nfs/dbraw/zinc/54/03/38/951540338.db2.gz BXBLLDUQDXSCHD-OAHLLOKOSA-N 0 1 286.331 1.819 20 30 CDEDMN COc1ccc(OC[C@@H](O)CNCC2(C#N)CC2)cc1 ZINC001252735436 951617832 /nfs/dbraw/zinc/61/78/32/951617832.db2.gz BFEGICCUOCUTRN-LBPRGKRZSA-N 0 1 276.336 1.328 20 30 CDEDMN C[C@@H](CC#N)NC[C@H](O)CCOCc1ccccc1 ZINC001253293168 951844072 /nfs/dbraw/zinc/84/40/72/951844072.db2.gz CEHBOAQXAVVIHR-DZGCQCFKSA-N 0 1 262.353 1.846 20 30 CDEDMN N#Cc1ccc2nc(NC(=O)C3(O)CCCC3)[nH]c2c1 ZINC001363076752 971866631 /nfs/dbraw/zinc/86/66/31/971866631.db2.gz XQCGTKXZFLPKKP-UHFFFAOYSA-N 0 1 270.292 1.678 20 30 CDEDMN N#CCCOCC[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000385186374 971985340 /nfs/dbraw/zinc/98/53/40/971985340.db2.gz CCJRGZISVHDRKG-TUAOUCFPSA-N 0 1 252.314 1.102 20 30 CDEDMN C[N@@H+](CC(=O)[O-])[C@@H]1CCCN(c2cccc(C#N)n2)CC1 ZINC001593720775 954249415 /nfs/dbraw/zinc/24/94/15/954249415.db2.gz GPNHBGCEFGOZQQ-CYBMUJFWSA-N 0 1 288.351 1.329 20 30 CDEDMN Cc1ccccc1C1(C(=O)N[C@@H]2CNC[C@H]2C#N)CC1 ZINC001326597955 954447295 /nfs/dbraw/zinc/44/72/95/954447295.db2.gz JLIHZQZMRRAGDN-TZMCWYRMSA-N 0 1 269.348 1.254 20 30 CDEDMN C=CC[C@H](NC(=O)[C@H]1CCCN1C1CC1)C(=O)OCC ZINC001326667325 954482369 /nfs/dbraw/zinc/48/23/69/954482369.db2.gz PZHKTYIDNOUUTA-QWHCGFSZSA-N 0 1 280.368 1.237 20 30 CDEDMN CC[C@H](C(=O)[O-])[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC001589441208 954721196 /nfs/dbraw/zinc/72/11/96/954721196.db2.gz YBXLLMIENRTZGJ-GHMZBOCLSA-N 0 1 254.330 1.226 20 30 CDEDMN CCc1nc([C@@H](C)NS(=O)(=O)CC2(CC#N)CC2)n[nH]1 ZINC001364839351 955220037 /nfs/dbraw/zinc/22/00/37/955220037.db2.gz QEHRUCWBJFYUQG-SECBINFHSA-N 0 1 297.384 1.041 20 30 CDEDMN C[C@@H](CCC#N)C[NH2+]C1CCN(CC(=O)[O-])CC1 ZINC001589013242 955400280 /nfs/dbraw/zinc/40/02/80/955400280.db2.gz RQGGTJZKSCKYTO-NSHDSACASA-N 0 1 253.346 1.065 20 30 CDEDMN C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC001421915781 955652355 /nfs/dbraw/zinc/65/23/55/955652355.db2.gz LFPKSDUVLWZHJR-OUAUKWLOSA-N 0 1 285.351 1.783 20 30 CDEDMN C=C(Cl)CN[C@H]1CN(C(=O)CCCC(C)=O)C[C@H]1C ZINC001422025584 955705445 /nfs/dbraw/zinc/70/54/45/955705445.db2.gz CHKODUBWWYKPOA-MFKMUULPSA-N 0 1 286.803 1.935 20 30 CDEDMN C=C(Cl)CNC[C@H](O)CNC(=O)C1(C)CCCC1 ZINC001422347429 955953760 /nfs/dbraw/zinc/95/37/60/955953760.db2.gz OIJAJNWTMKQSBW-NSHDSACASA-N 0 1 274.792 1.386 20 30 CDEDMN C[C@H]1C[C@@H]1C(=O)Nc1nc(-c2cccc(C#N)c2)n[nH]1 ZINC001306907337 956349343 /nfs/dbraw/zinc/34/93/43/956349343.db2.gz RWYNXRPXJNCVGU-KWQFWETISA-N 0 1 267.292 1.938 20 30 CDEDMN N#Cc1ccc(F)c(CNc2nccnc2CN)c1 ZINC001306980111 956354239 /nfs/dbraw/zinc/35/42/39/956354239.db2.gz UHPZJDPODHELCO-UHFFFAOYSA-N 0 1 257.272 1.558 20 30 CDEDMN C[C@H]1CC(=NNCCC[NH+]2CCOCC2)CC[C@@H]1C(=O)[O-] ZINC001330326147 956380519 /nfs/dbraw/zinc/38/05/19/956380519.db2.gz BHJJWSSRTPGTQG-JSGCOSHPSA-N 0 1 297.399 1.175 20 30 CDEDMN C=C(Cl)CNC[C@H](NC(=O)C(C)(C)COC)C1CC1 ZINC001423014533 956510579 /nfs/dbraw/zinc/51/05/79/956510579.db2.gz MSCHYVASEGNSDE-LBPRGKRZSA-N 0 1 288.819 1.896 20 30 CDEDMN C=C(Cl)CNC1(CNC(=O)[C@]2(C)CCOC2)CC1 ZINC001423282537 956705103 /nfs/dbraw/zinc/70/51/03/956705103.db2.gz UYSNPMLFBXNHCE-GFCCVEGCSA-N 0 1 272.776 1.404 20 30 CDEDMN CC[C@@H](COCC1CC1)NC(=O)NCC#CCN(C)C ZINC001313004865 956833475 /nfs/dbraw/zinc/83/34/75/956833475.db2.gz XTKUVHRXALXQNH-AWEZNQCLSA-N 0 1 281.400 1.056 20 30 CDEDMN O=C1[C@@H](NCc2cccc3ccoc32)CCCN1O ZINC001331585906 957153340 /nfs/dbraw/zinc/15/33/40/957153340.db2.gz VMINLWMJFAEMJR-LBPRGKRZSA-N 0 1 260.293 1.903 20 30 CDEDMN COc1cccc([C@H]2CNCCN2C(=O)C#CC2CC2)c1 ZINC001332051382 957415514 /nfs/dbraw/zinc/41/55/14/957415514.db2.gz ZDCZNJWFEANHOW-MRXNPFEDSA-N 0 1 284.359 1.582 20 30 CDEDMN C=CC[C@@H]1NC(=O)N(C[C@H](c2ccsc2)N(C)C)C1=O ZINC001332374336 957537489 /nfs/dbraw/zinc/53/74/89/957537489.db2.gz IRQZLVOWOUYKFK-NWDGAFQWSA-N 0 1 293.392 1.847 20 30 CDEDMN C=C(Cl)CNC[C@@H](O)CN(C)C(=O)c1coc(C)c1 ZINC001426009701 957663027 /nfs/dbraw/zinc/66/30/27/957663027.db2.gz XVLJYXBPQMRGOD-GFCCVEGCSA-N 0 1 286.759 1.363 20 30 CDEDMN C=C(Cl)CNC[C@H](NC(=O)Cn1cncn1)C(C)(C)C ZINC001426144103 957709386 /nfs/dbraw/zinc/70/93/86/957709386.db2.gz DLPPVTHIROAVON-NSHDSACASA-N 0 1 299.806 1.151 20 30 CDEDMN CC(C)COCCN1CC[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC001318239785 957989346 /nfs/dbraw/zinc/98/93/46/957989346.db2.gz ARCILEOTLDTZCB-STQMWFEESA-N 0 1 267.373 1.009 20 30 CDEDMN C#CCCN1CC[C@@H](NC(=O)[C@@H](CC)SC)C1 ZINC001318326109 958038517 /nfs/dbraw/zinc/03/85/17/958038517.db2.gz LVBXOWFFZZHSNJ-VXGBXAGGSA-N 0 1 254.399 1.342 20 30 CDEDMN C#CC[N@H+](CC(=O)[O-])C[C@H](O)c1ccc(Cl)cc1 ZINC001588423970 958209172 /nfs/dbraw/zinc/20/91/72/958209172.db2.gz IEIFUAUHYJCBDB-LBPRGKRZSA-N 0 1 267.712 1.393 20 30 CDEDMN C#CC[N@@H+](CC(=O)[O-])C[C@H](O)c1ccc(Cl)cc1 ZINC001588423970 958209189 /nfs/dbraw/zinc/20/91/89/958209189.db2.gz IEIFUAUHYJCBDB-LBPRGKRZSA-N 0 1 267.712 1.393 20 30 CDEDMN C=C(Cl)CNC[C@H](C)NC(=O)c1cnn(CC2CC2)c1 ZINC001367767913 958321941 /nfs/dbraw/zinc/32/19/41/958321941.db2.gz UKYFSAUWJLJSAV-NSHDSACASA-N 0 1 296.802 1.754 20 30 CDEDMN CC(C)(C#N)CC(=O)Nc1nc(-c2ccco2)n[nH]1 ZINC001333659915 958488556 /nfs/dbraw/zinc/48/85/56/958488556.db2.gz SOCDOAKGZHPZKJ-UHFFFAOYSA-N 0 1 259.269 1.943 20 30 CDEDMN C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@](CC)(C(=O)[O-])C1 ZINC001573329250 958506595 /nfs/dbraw/zinc/50/65/95/958506595.db2.gz BDIDXFGJPOOJJD-GXFFZTMASA-N 0 1 255.314 1.291 20 30 CDEDMN C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@](CC)(C(=O)[O-])C1 ZINC001573329250 958506609 /nfs/dbraw/zinc/50/66/09/958506609.db2.gz BDIDXFGJPOOJJD-GXFFZTMASA-N 0 1 255.314 1.291 20 30 CDEDMN O=[N+]([O-])c1ccc(O)cc1C=NNCC1CCOCC1 ZINC001319429911 958554715 /nfs/dbraw/zinc/55/47/15/958554715.db2.gz DFRPEWYNKFTJPY-UHFFFAOYSA-N 0 1 279.296 1.651 20 30 CDEDMN C=C(C)[C@H](NC[C@H](O)[C@H](C)O)c1ccc(F)c(F)c1 ZINC001334093097 958830672 /nfs/dbraw/zinc/83/06/72/958830672.db2.gz JOHBYPQKGMUTBQ-HERUPUMHSA-N 0 1 271.307 1.913 20 30 CDEDMN N#CC1CCN(C(=O)CCCCc2cn[nH]n2)CC1 ZINC001320218965 959016252 /nfs/dbraw/zinc/01/62/52/959016252.db2.gz JDEHXAJCQSLBAR-UHFFFAOYSA-N 0 1 261.329 1.280 20 30 CDEDMN C[C@@H](NCCNC(=O)C1N=CC=CC1=O)c1ccccn1 ZINC001320576136 959253006 /nfs/dbraw/zinc/25/30/06/959253006.db2.gz ADRSSOXSBFVQBY-PHIZWAGYSA-N 0 1 286.335 1.259 20 30 CDEDMN C=C[C@@H](COC)NCc1ccc(N(C)CCOC)nc1 ZINC001320706565 959347053 /nfs/dbraw/zinc/34/70/53/959347053.db2.gz IISQNVPHDMMMIC-AWEZNQCLSA-N 0 1 279.384 1.455 20 30 CDEDMN CC(=NNc1ncnc2nc[nH]c21)c1ccnc(C)n1 ZINC001320738716 959360472 /nfs/dbraw/zinc/36/04/72/959360472.db2.gz UCSZCVQKMIOYGS-UHFFFAOYSA-N 0 1 268.284 1.287 20 30 CDEDMN C=C(Cl)CNC[C@H](C)NC(=O)c1cccc(=O)[nH]1 ZINC001321812366 959963437 /nfs/dbraw/zinc/96/34/37/959963437.db2.gz RKBCNRAZBPMKPJ-VIFPVBQESA-N 0 1 269.732 1.248 20 30 CDEDMN C=C[C@H](COC)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC001322149846 960112134 /nfs/dbraw/zinc/11/21/34/960112134.db2.gz PANOFGDRGZPQKN-SNVBAGLBSA-N 0 1 282.296 1.600 20 30 CDEDMN C=C(Cl)CN[C@H](CC)CNC(=O)c1snnc1C ZINC001419167973 961461731 /nfs/dbraw/zinc/46/17/31/961461731.db2.gz KPNLYJKMJYUXFD-SECBINFHSA-N 0 1 288.804 1.697 20 30 CDEDMN C=C(Cl)CN[C@@H](CC)CNC(=O)Cn1nc(C)cc1C ZINC001419197964 961495542 /nfs/dbraw/zinc/49/55/42/961495542.db2.gz IRHPBEZTZLQEAZ-ZDUSSCGKSA-N 0 1 298.818 1.737 20 30 CDEDMN N#Cc1cncc(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c1 ZINC001574492903 961715468 /nfs/dbraw/zinc/71/54/68/961715468.db2.gz DVMTYRWGOSWNJU-UONOGXRCSA-N 0 1 271.320 1.496 20 30 CDEDMN C=C(Cl)CN[C@@H](C)CNC(=O)Cc1c(C)n[nH]c1C ZINC001419929039 962246991 /nfs/dbraw/zinc/24/69/91/962246991.db2.gz PUEJAWAAXJPRSR-VIFPVBQESA-N 0 1 284.791 1.416 20 30 CDEDMN C=C(Cl)CNC[C@H](O)CNC(=O)Cc1ccsc1 ZINC001420088486 962460595 /nfs/dbraw/zinc/46/05/95/962460595.db2.gz LPGBODQYGSHNHY-NSHDSACASA-N 0 1 288.800 1.110 20 30 CDEDMN C=C1CCN(c2nnc(-c3[nH]cnc3C)n2C)CC1 ZINC001339932218 962633229 /nfs/dbraw/zinc/63/32/29/962633229.db2.gz SBWMLKGGPXLQSZ-UHFFFAOYSA-N 0 1 258.329 1.670 20 30 CDEDMN C=CCNN=Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001340940076 963200863 /nfs/dbraw/zinc/20/08/63/963200863.db2.gz XFRQXITZQVSJOZ-UHFFFAOYSA-N 0 1 276.359 1.687 20 30 CDEDMN C#CCNCC(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1 ZINC001341041311 963249811 /nfs/dbraw/zinc/24/98/11/963249811.db2.gz JTOGMUQXHZWFQU-CVEARBPZSA-N 0 1 270.376 1.737 20 30 CDEDMN N#Cc1cccc(-c2n[nH]c(NC(=O)[C@@H]3CCCO3)n2)c1 ZINC001421040954 963427261 /nfs/dbraw/zinc/42/72/61/963427261.db2.gz SEFFNEQBARSPQI-NSHDSACASA-N 0 1 283.291 1.461 20 30 CDEDMN C#CCNCC(=O)N1CC[C@@H](c2ccc(OC)cc2)C1 ZINC001341526372 963449551 /nfs/dbraw/zinc/44/95/51/963449551.db2.gz XRRXPWWOYKCSDJ-CQSZACIVSA-N 0 1 272.348 1.234 20 30 CDEDMN C=C(Cl)CNC[C@@H](C)N(C)C(=O)c1cnn(C)c1C ZINC001438638316 963510059 /nfs/dbraw/zinc/51/00/59/963510059.db2.gz WHIOQXFXZLPAEW-SNVBAGLBSA-N 0 1 284.791 1.531 20 30 CDEDMN C#CCNCC(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC001341860074 963564008 /nfs/dbraw/zinc/56/40/08/963564008.db2.gz DRWKOZSNWSECIR-GOEBONIOSA-N 0 1 286.375 1.493 20 30 CDEDMN C#CCNCC(=O)N1CC(C)(C)[C@H]1c1cccs1 ZINC001342287111 963699016 /nfs/dbraw/zinc/69/90/16/963699016.db2.gz ZAFOFMYEONJANV-CYBMUJFWSA-N 0 1 262.378 1.880 20 30 CDEDMN C#CCNCC(=O)NC(C)(C)c1ccc(F)cc1F ZINC001342399533 963731236 /nfs/dbraw/zinc/73/12/36/963731236.db2.gz NDZBGRASYASEBF-UHFFFAOYSA-N 0 1 266.291 1.539 20 30 CDEDMN N#CC(C(=O)[C@@H]1CCc2ncncc2C1)c1cccc(F)n1 ZINC001342631269 963783877 /nfs/dbraw/zinc/78/38/77/963783877.db2.gz AWXYDXKLHABWSQ-PWSUYJOCSA-N 0 1 296.305 1.992 20 30 CDEDMN Cn1ccc(NN=Cc2cn(C)nc2-c2cccnc2)n1 ZINC001343529805 964025801 /nfs/dbraw/zinc/02/58/01/964025801.db2.gz PCWQABNJSYRIDG-UHFFFAOYSA-N 0 1 281.323 1.662 20 30 CDEDMN C#CCNCC(=O)N1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC001343527225 964026737 /nfs/dbraw/zinc/02/67/37/964026737.db2.gz ZBKSYGICQYGCJU-OAHLLOKOSA-N 0 1 296.374 1.758 20 30 CDEDMN C#CCNCC(=O)N1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC001343527225 964026751 /nfs/dbraw/zinc/02/67/51/964026751.db2.gz ZBKSYGICQYGCJU-OAHLLOKOSA-N 0 1 296.374 1.758 20 30 CDEDMN C#CCN1CCC(OC(=O)CC[C@H]2CC[C@H](C)O2)CC1 ZINC001346160958 964959707 /nfs/dbraw/zinc/95/97/07/964959707.db2.gz JTDKMHWUHFBUIA-UONOGXRCSA-N 0 1 279.380 1.975 20 30 CDEDMN C=C(Cl)CNC[C@@H](C)N(C)C(=O)c1cc[nH]c(=O)c1 ZINC001444586537 965889015 /nfs/dbraw/zinc/88/90/15/965889015.db2.gz POLVBMSRNHANTK-SNVBAGLBSA-N 0 1 283.759 1.590 20 30 CDEDMN C=C(CC)C(=O)NCc1n[nH]c([C@H]2CCCO2)n1 ZINC001348852626 966207163 /nfs/dbraw/zinc/20/71/63/966207163.db2.gz JCWUHAKYRGEKIS-SECBINFHSA-N 0 1 250.302 1.239 20 30 CDEDMN C#CCN1CCC(OC(=O)[C@H](C)OCCCC)CC1 ZINC001349770551 966464265 /nfs/dbraw/zinc/46/42/65/966464265.db2.gz VAYBOZNYIBNRKY-ZDUSSCGKSA-N 0 1 267.369 1.832 20 30 CDEDMN C[C@H](C#N)C(=O)NCC1(NCc2ccccc2F)CC1 ZINC001446165358 966473201 /nfs/dbraw/zinc/47/32/01/966473201.db2.gz XRTNUCIUAYNLLD-LLVKDONJSA-N 0 1 275.327 1.724 20 30 CDEDMN N#CCCCCS(=O)(=O)N1CCC(c2nc[nH]n2)CC1 ZINC001350838839 966777050 /nfs/dbraw/zinc/77/70/50/966777050.db2.gz UZUHBBLPXUVMID-UHFFFAOYSA-N 0 1 297.384 1.008 20 30 CDEDMN C=CCCC[C@H](C)NC(=O)NC[C@H](C)N1CCN(C)CC1 ZINC001351995201 967049710 /nfs/dbraw/zinc/04/97/10/967049710.db2.gz PJPNUUMPTKWLON-GJZGRUSLSA-N 0 1 296.459 1.666 20 30 CDEDMN CC(C)(C)N1CCN(C(=O)CC(C)(C)C#N)CC1 ZINC001542190419 967215655 /nfs/dbraw/zinc/21/56/55/967215655.db2.gz HXXADRBTRSTZDE-UHFFFAOYSA-N 0 1 251.374 1.869 20 30 CDEDMN C=C(Cl)CN[C@H](C)CN(C)C(=O)c1oncc1C ZINC001448768421 967247937 /nfs/dbraw/zinc/24/79/37/967247937.db2.gz XHMGJDMBBYUMIF-SNVBAGLBSA-N 0 1 271.748 1.786 20 30 CDEDMN C#CC[N@@H+](CCOc1ccccc1OCC)CC(=O)[O-] ZINC000092484414 967597661 /nfs/dbraw/zinc/59/76/61/967597661.db2.gz GILZDZWUMHLFCL-UHFFFAOYSA-N 0 1 277.320 1.484 20 30 CDEDMN C#CC[N@H+](CCOc1ccccc1OCC)CC(=O)[O-] ZINC000092484414 967597672 /nfs/dbraw/zinc/59/76/72/967597672.db2.gz GILZDZWUMHLFCL-UHFFFAOYSA-N 0 1 277.320 1.484 20 30 CDEDMN C=CCNC(=S)Nc1ccc(N2CCN(C)CC2)cn1 ZINC001200274423 967799153 /nfs/dbraw/zinc/79/91/53/967799153.db2.gz QEQIBTRBPNBJPK-UHFFFAOYSA-N 0 1 291.424 1.306 20 30 CDEDMN C=CC[C@@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(=O)[O-] ZINC001354046373 968432820 /nfs/dbraw/zinc/43/28/20/968432820.db2.gz ACJCEYUIDHNKNN-GXTWGEPZSA-N 0 1 294.395 1.787 20 30 CDEDMN C#CC[N@@H+](CC(=O)[O-])C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000721446705 969115980 /nfs/dbraw/zinc/11/59/80/969115980.db2.gz GIRBFRADGPSXMI-DTWKUNHWSA-N 0 1 265.231 1.116 20 30 CDEDMN C#CC[N@H+](CC(=O)[O-])C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000721446705 969115989 /nfs/dbraw/zinc/11/59/89/969115989.db2.gz GIRBFRADGPSXMI-DTWKUNHWSA-N 0 1 265.231 1.116 20 30 CDEDMN C=C(C)CCC(=O)N1CCN(C(C)(C)CO)CC1 ZINC001358092108 969691737 /nfs/dbraw/zinc/69/17/37/969691737.db2.gz YUVJFBWDMZLYAY-UHFFFAOYSA-N 0 1 254.374 1.258 20 30 CDEDMN N#Cc1cccc([C@H](O)CN2CCC[C@H]2C2OCCO2)c1 ZINC001414036325 969882764 /nfs/dbraw/zinc/88/27/64/969882764.db2.gz QAGGEIYSPUSCEB-LSDHHAIUSA-N 0 1 288.347 1.429 20 30 CDEDMN 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293.317 1.704 20 30 CDEDMN C#CCN1CCC(NC(=O)c2cc(C(F)F)ncn2)CC1 ZINC000830169082 728189776 /nfs/dbraw/zinc/18/97/76/728189776.db2.gz RTTAXZGCDNSLLC-UHFFFAOYSA-N 0 1 294.305 1.242 20 30 CDEDMN C[C@H](C#N)OCCN1CCN(CCc2cccs2)CC1 ZINC000801914759 728202540 /nfs/dbraw/zinc/20/25/40/728202540.db2.gz DXNQKZHMUHWCRL-CQSZACIVSA-N 0 1 293.436 1.837 20 30 CDEDMN CC#CCN1CCC(N(C)C(=O)c2cc(C)nn2C)CC1 ZINC001005157378 728205299 /nfs/dbraw/zinc/20/52/99/728205299.db2.gz WLKWSCYEECCOCO-UHFFFAOYSA-N 0 1 288.395 1.288 20 30 CDEDMN C[C@@H]1CN(Cc2ccccn2)CCC1=NN1CCC1 ZINC000872396338 728207220 /nfs/dbraw/zinc/20/72/20/728207220.db2.gz DAPAKAFGGTUETG-CYBMUJFWSA-N 0 1 258.369 1.985 20 30 CDEDMN COCc1cc(CN=Nc2cccc(F)n2)no1 ZINC000795006107 728208230 /nfs/dbraw/zinc/20/82/30/728208230.db2.gz DCGPYRCRPICEMW-UHFFFAOYSA-N 0 1 250.233 1.801 20 30 CDEDMN N#C[C@@H]1CNC[C@H]1NC(=O)c1cc(-c2ccccc2)on1 ZINC000834511466 728214353 /nfs/dbraw/zinc/21/43/53/728214353.db2.gz LJDOKOAPLHDHOU-DGCLKSJQSA-N 0 1 282.303 1.183 20 30 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CCCC(N)=NOCCCCCS(=O)(=O)CC ZINC000190656294 728279382 /nfs/dbraw/zinc/27/93/82/728279382.db2.gz IFHGNMBPODUPNT-UHFFFAOYSA-N 0 1 264.391 1.680 20 30 CDEDMN C#CCN1CC[C@]2(C1)CN(C(=O)C1CC=CC1)C[C@@H](C)O2 ZINC001071149966 728280283 /nfs/dbraw/zinc/28/02/83/728280283.db2.gz VBXLHOGECCRAOO-PBHICJAKSA-N 0 1 288.391 1.278 20 30 CDEDMN CC#CCN1C[C@@H]2CCN(C(=O)/C=C(\C)C3CC3)[C@@H]2C1 ZINC001075586384 728284132 /nfs/dbraw/zinc/28/41/32/728284132.db2.gz PYDXFZZOOSRXBF-LSALWYQZSA-N 0 1 272.392 1.899 20 30 CDEDMN C[C@@H](CC#N)NC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000878820338 728288418 /nfs/dbraw/zinc/28/84/18/728288418.db2.gz LPTQGALOBSHQFX-FZMZJTMJSA-N 0 1 283.372 1.250 20 30 CDEDMN C=CCN1CC(CNC(=O)c2ccc3[nH]c(C)nc3c2)C1 ZINC001032079512 728292307 /nfs/dbraw/zinc/29/23/07/728292307.db2.gz YDFAXHLWAHHWNC-UHFFFAOYSA-N 0 1 284.363 1.719 20 30 CDEDMN C#CCCN1CCC[C@@H]1CNC(=O)c1cc(OC)cs1 ZINC001028070812 728300723 /nfs/dbraw/zinc/30/07/23/728300723.db2.gz KIENQZYDPXDJQB-GFCCVEGCSA-N 0 1 292.404 1.974 20 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C=C(Cl)CNC[C@@H]1CCCCN1C(=O)c1cncn1C ZINC001447747409 966857163 /nfs/dbraw/zinc/85/71/63/966857163.db2.gz UTFABIUYUDXFPL-LBPRGKRZSA-N 0 1 296.802 1.757 20 30 CDEDMN Cn1cnc(CNCCC(=O)Nc2cccc(C#N)c2)c1 ZINC001352818776 967501106 /nfs/dbraw/zinc/50/11/06/967501106.db2.gz WJRLKRPVZIKVNC-UHFFFAOYSA-N 0 1 283.335 1.410 20 30 CDEDMN C[C@@H]1CN2CCN1C[C@H]2C(=O)Nc1ccc(F)c(C#N)c1 ZINC001548640858 967673423 /nfs/dbraw/zinc/67/34/23/967673423.db2.gz LDTIQRMVKIUYCU-YGRLFVJLSA-N 0 1 288.326 1.024 20 30 CDEDMN C#CCCCC(=O)N1CCC(NCc2nncs2)CC1 ZINC001200307867 967908395 /nfs/dbraw/zinc/90/83/95/967908395.db2.gz WFEMBAZECDUCEF-UHFFFAOYSA-N 0 1 292.408 1.422 20 30 CDEDMN C#CCNCC(=O)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001353342110 967914105 /nfs/dbraw/zinc/91/41/05/967914105.db2.gz SYYUSDMKOZGADF-MNOVXSKESA-N 0 1 276.302 1.694 20 30 CDEDMN O=C(C#CC1CC1)NCC1CC(NCc2nccs2)C1 ZINC001100313626 967987844 /nfs/dbraw/zinc/98/78/44/967987844.db2.gz HRBNLMZQWZBZIV-UHFFFAOYSA-N 0 1 289.404 1.541 20 30 CDEDMN C=CCCn1cc(C[N@@H+](C)C[C@H](C)C(=O)[O-])nn1 ZINC001353898956 968323660 /nfs/dbraw/zinc/32/36/60/968323660.db2.gz COXWLRRNVZBPRJ-JTQLQIEISA-N 0 1 252.318 1.007 20 30 CDEDMN C=CCCn1cc(C[N@H+](C)C[C@H](C)C(=O)[O-])nn1 ZINC001353898956 968323672 /nfs/dbraw/zinc/32/36/72/968323672.db2.gz COXWLRRNVZBPRJ-JTQLQIEISA-N 0 1 252.318 1.007 20 30 CDEDMN C[C@@H]1C[N@@H+](C)CC1N=Nc1ccc(CC(=O)[O-])cc1 ZINC000848415813 969081677 /nfs/dbraw/zinc/08/16/77/969081677.db2.gz QJOATZNTBUPYOD-SNVBAGLBSA-N 0 1 261.325 1.663 20 30 CDEDMN C=C[C@@H]1OCC[C@H]1NCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001355321157 969123054 /nfs/dbraw/zinc/12/30/54/969123054.db2.gz IVQUMGHYRPPZDU-PWSUYJOCSA-N 0 1 294.307 1.742 20 30 CDEDMN CC(C)NC(=O)C(C#N)C(=O)[C@H]1CCCN1C(C)C ZINC001356275546 969366904 /nfs/dbraw/zinc/36/69/04/969366904.db2.gz NGUXHMLTYWTZJK-NWDGAFQWSA-N 0 1 265.357 1.093 20 30 CDEDMN C#CCNCC(=O)NCC(C)(C)Cc1ccccc1 ZINC001357276264 969563953 /nfs/dbraw/zinc/56/39/53/969563953.db2.gz IYLHDFLDTFOPLC-UHFFFAOYSA-N 0 1 258.365 1.594 20 30 CDEDMN C#CCN1CCC(OC(=O)c2ccc3[nH]cnc3c2)CC1 ZINC001517137353 969967772 /nfs/dbraw/zinc/96/77/72/969967772.db2.gz PCTVMIGDLHAYPH-UHFFFAOYSA-N 0 1 283.331 1.817 20 30 CDEDMN C#CCN1CCC(OC(=O)/C=C\c2cncc(F)c2)CC1 ZINC001520068341 970139974 /nfs/dbraw/zinc/13/99/74/970139974.db2.gz GFTKDDMLQQFRKL-ARJAWSKDSA-N 0 1 288.322 1.875 20 30 CDEDMN C=CCC(C)(C)CNC(=O)[C@H]1CN2CCN1C[C@@H]2C ZINC001521633008 970326580 /nfs/dbraw/zinc/32/65/80/970326580.db2.gz OBUJGJJSQBYCDA-QWHCGFSZSA-N 0 1 265.401 1.093 20 30 CDEDMN N#Cc1ccc2nc(NC(=O)CCc3cnccn3)[nH]c2c1 ZINC001470719021 970361896 /nfs/dbraw/zinc/36/18/96/970361896.db2.gz HKMOZMTYTSKBKQ-UHFFFAOYSA-N 0 1 292.302 1.796 20 30 CDEDMN CCOc1ccc(C#N)cc1NC(=O)Cc1cnc[nH]1 ZINC001361678184 970410632 /nfs/dbraw/zinc/41/06/32/970410632.db2.gz PNUBHOCKFYQEMT-UHFFFAOYSA-N 0 1 270.292 1.861 20 30 CDEDMN CN(C)c1ccnc(CNC(=O)c2cc(C#N)ccn2)c1 ZINC001361896853 970652923 /nfs/dbraw/zinc/65/29/23/970652923.db2.gz FBHUMKFVCZOEBX-UHFFFAOYSA-N 0 1 281.319 1.344 20 30 CDEDMN C[C@@H](C#N)C(=O)NCCN(C)C/C=C\c1ccccc1 ZINC001371929779 972697178 /nfs/dbraw/zinc/69/71/78/972697178.db2.gz ZYXPYCUTWYNFSE-PIZKADEWSA-N 0 1 271.364 1.907 20 30 CDEDMN C=C(Cl)CN(C)C[C@H]1CCN(C(=O)Cn2cccn2)C1 ZINC001373272369 973340117 /nfs/dbraw/zinc/34/01/17/973340117.db2.gz LACCOOXNSBKMKN-CYBMUJFWSA-N 0 1 296.802 1.416 20 30 CDEDMN C=C(Cl)CN[C@H](CNC(=O)c1cn(C)nc1C)C1CC1 ZINC001417969344 973503264 /nfs/dbraw/zinc/50/32/64/973503264.db2.gz ACEHJFXJHPADSR-CYBMUJFWSA-N 0 1 296.802 1.579 20 30 CDEDMN Cc1ncc(C(=O)NCCN(C)Cc2ccc(C#N)cc2)[nH]1 ZINC001418448712 973847247 /nfs/dbraw/zinc/84/72/47/973847247.db2.gz MWGQVTUROGRYAA-UHFFFAOYSA-N 0 1 297.362 1.452 20 30 CDEDMN N#Cc1ccc(C[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)nc1 ZINC001605602261 973911380 /nfs/dbraw/zinc/91/13/80/973911380.db2.gz WBGPRZHHNWRZFK-NSHDSACASA-N 0 1 259.309 1.640 20 30 CDEDMN C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NCc2cscn2)C1 ZINC001397061631 975451489 /nfs/dbraw/zinc/45/14/89/975451489.db2.gz XOGGTZDWNKAQJR-GARJFASQSA-N 0 1 278.381 1.287 20 30 CDEDMN CC(C)c1ocnc1CNC[C@@H](C)CNC(=O)[C@H](C)C#N ZINC001401101506 975463259 /nfs/dbraw/zinc/46/32/59/975463259.db2.gz HMVSVUOYVLRBDO-VXGBXAGGSA-N 0 1 292.383 1.800 20 30 CDEDMN C=C(Cl)CNC[C@@H](C)NC(=O)c1cnn2ccncc12 ZINC001401626524 975748207 /nfs/dbraw/zinc/74/82/07/975748207.db2.gz PMRZBGKUABOZJJ-SNVBAGLBSA-N 0 1 293.758 1.190 20 30 CDEDMN C=C(Cl)CNC[C@@H](CC(C)C)NC(=O)Cn1cccn1 ZINC001405892180 975924516 /nfs/dbraw/zinc/92/45/16/975924516.db2.gz CMFQFRGKGQVSAT-CYBMUJFWSA-N 0 1 298.818 1.756 20 30 CDEDMN CO[C@H](C)C(=O)NCC1(NCc2ccc(C#N)s2)CC1 ZINC001401930992 976018722 /nfs/dbraw/zinc/01/87/22/976018722.db2.gz AWMDYTQLLBKSBV-SNVBAGLBSA-N 0 1 293.392 1.393 20 30 CDEDMN C[C@H](CNCc1ccccc1C#N)NC(=O)c1ccon1 ZINC001406339567 976135854 /nfs/dbraw/zinc/13/58/54/976135854.db2.gz REWOFWAKEOZRCK-LLVKDONJSA-N 0 1 284.319 1.454 20 30 CDEDMN C=C(Cl)CN[C@@H](C)CNC(=O)c1cc(CCC)n[nH]1 ZINC001390456345 976302618 /nfs/dbraw/zinc/30/26/18/976302618.db2.gz ODZWKTCIRBAHEJ-JTQLQIEISA-N 0 1 284.791 1.823 20 30 CDEDMN C=C(Cl)CN[C@H](C)CNC(=O)Cc1csc(C)n1 ZINC001390518168 976348209 /nfs/dbraw/zinc/34/82/09/976348209.db2.gz CHUQRMBLPVPUDF-SECBINFHSA-N 0 1 287.816 1.841 20 30 CDEDMN C=C(Cl)CN1CC[C@H](N(C)C(=O)CCc2c[nH]nn2)C1 ZINC001391628250 977000656 /nfs/dbraw/zinc/00/06/56/977000656.db2.gz ZMGIKEYYLNWGPH-LBPRGKRZSA-N 0 1 297.790 1.023 20 30 CDEDMN C=C(Cl)CN1CC[C@H](N(C)C(=O)CCc2cnn[nH]2)C1 ZINC001391628250 977000664 /nfs/dbraw/zinc/00/06/64/977000664.db2.gz ZMGIKEYYLNWGPH-LBPRGKRZSA-N 0 1 297.790 1.023 20 30 CDEDMN CN(CCNC(=O)c1cn(C)cn1)Cc1ccc(C#N)cc1 ZINC001403547084 977055399 /nfs/dbraw/zinc/05/53/99/977055399.db2.gz SXBDTQSARAZAES-UHFFFAOYSA-N 0 1 297.362 1.154 20 30 CDEDMN CC(=O)N(C)[C@H](CNCc1ccccc1C#N)C1CC1 ZINC001382012150 977122145 /nfs/dbraw/zinc/12/21/45/977122145.db2.gz TXJLKOFYXMVAFQ-MRXNPFEDSA-N 0 1 271.364 1.905 20 30 CDEDMN C=C(Cl)CN[C@@H](C)CN(C)C(=O)C1(COC)CC1 ZINC001382101943 977166639 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CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)C[C@@H](C)CCC#N ZINC001592471768 978234101 /nfs/dbraw/zinc/23/41/01/978234101.db2.gz VIIPSLYEDYLQQB-NWDGAFQWSA-N 0 1 256.346 1.736 20 30 CDEDMN C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1C(=O)[O-] ZINC001588477595 983516978 /nfs/dbraw/zinc/51/69/78/983516978.db2.gz VUNMRNDHLQQRHJ-AWEZNQCLSA-N 0 1 286.331 1.099 20 30 CDEDMN C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1C(=O)[O-] ZINC001588477595 983516979 /nfs/dbraw/zinc/51/69/79/983516979.db2.gz VUNMRNDHLQQRHJ-AWEZNQCLSA-N 0 1 286.331 1.099 20 30 CDEDMN C#CCOCC[N@H+](C)[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC001588489573 983528090 /nfs/dbraw/zinc/52/80/90/983528090.db2.gz FBTDTUFFRXVWNC-NSHDSACASA-N 0 1 265.309 1.929 20 30 CDEDMN C=C(C)[C@H](CO)[N@H+]1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC001588535662 983590320 /nfs/dbraw/zinc/59/03/20/983590320.db2.gz QFRPZKZCKMYJKQ-AWEZNQCLSA-N 0 1 291.347 1.689 20 30 CDEDMN C=C(C)[C@H](CO)[N@@H+]1CCc2c(C(=O)[O-])ccc(OC)c2C1 ZINC001588535662 983590323 /nfs/dbraw/zinc/59/03/23/983590323.db2.gz QFRPZKZCKMYJKQ-AWEZNQCLSA-N 0 1 291.347 1.689 20 30 CDEDMN C=CC(C)(C)C(=O)NCCN[C@@H](C)c1cnccn1 ZINC001132391637 1163263427 /nfs/dbraw/zinc/26/34/27/1163263427.db2.gz MOXOJWVZLFYIIA-NSHDSACASA-N 0 1 262.357 1.456 20 30 CDEDMN C=C(CCC(=O)[O-])C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC001588622935 983725498 /nfs/dbraw/zinc/72/54/98/983725498.db2.gz HCMBVPSDIJCTKK-NWDGAFQWSA-N 0 1 266.341 1.150 20 30 CDEDMN CC[N@H+](CCC(=O)[O-])Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001596314773 983745716 /nfs/dbraw/zinc/74/57/16/983745716.db2.gz MQNGDYRKKDQWTQ-UHFFFAOYSA-N 0 1 277.280 1.763 20 30 CDEDMN CC[N@@H+](CCC(=O)[O-])Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001596314773 983745718 /nfs/dbraw/zinc/74/57/18/983745718.db2.gz MQNGDYRKKDQWTQ-UHFFFAOYSA-N 0 1 277.280 1.763 20 30 CDEDMN C=C[C@@H](C(=O)[O-])N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001588662486 983789095 /nfs/dbraw/zinc/78/90/95/983789095.db2.gz AISGJFRWPAHLLF-OLZOCXBDSA-N 0 1 252.358 1.433 20 30 CDEDMN C=C[C@@H](C(=O)[O-])[N@H+](C)Cc1ccc(OCC(=O)OC)cc1 ZINC001588664722 983803993 /nfs/dbraw/zinc/80/39/93/983803993.db2.gz UHFATXBPSWXXDW-ZDUSSCGKSA-N 0 1 293.319 1.309 20 30 CDEDMN C=C[C@@H](C(=O)[O-])[N@H+]1CCN(C(C)=O)C2(CCCCC2)C1 ZINC001588670290 983820706 /nfs/dbraw/zinc/82/07/06/983820706.db2.gz ZMSNPABKOYUUAX-ZDUSSCGKSA-N 0 1 280.368 1.493 20 30 CDEDMN C=CC[C@H](C(=O)[O-])[N@H+](C)CC(=O)NCc1ccccc1 ZINC001588729530 983990759 /nfs/dbraw/zinc/99/07/59/983990759.db2.gz RQRPYBHNTWCGIE-CYBMUJFWSA-N 0 1 276.336 1.264 20 30 CDEDMN C=CC[C@H](C(=O)[O-])[N@@H+](C)CC(=O)NCc1ccccc1 ZINC001588729530 983990761 /nfs/dbraw/zinc/99/07/61/983990761.db2.gz RQRPYBHNTWCGIE-CYBMUJFWSA-N 0 1 276.336 1.264 20 30 CDEDMN C=CCC(CC=C)C(=O)N1CC[N@H+](C)C[C@@H](C(=O)[O-])C1 ZINC001588737366 984029392 /nfs/dbraw/zinc/02/93/92/984029392.db2.gz JNARAQASWXDLPG-CYBMUJFWSA-N 0 1 280.368 1.230 20 30 CDEDMN C=CCC[N@@H+]1CCCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)[O-] ZINC001588807835 984262032 /nfs/dbraw/zinc/26/20/32/984262032.db2.gz ZXEZNDBVVZHNAX-GFCCVEGCSA-N 0 1 298.383 1.959 20 30 CDEDMN 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290.194 1.949 20 30 CDEDMN N#Cc1cccc(CC(=O)NCc2n[nH]c(C3CC3)n2)c1 ZINC001450183948 967651290 /nfs/dbraw/zinc/65/12/90/967651290.db2.gz XVICELWEJGXAJH-UHFFFAOYSA-N 0 1 281.319 1.413 20 30 CDEDMN C=C[C@H](C)NC(=O)N1CCN(C)C[C@H]1CC(C)C ZINC001353421668 967969295 /nfs/dbraw/zinc/96/92/95/967969295.db2.gz XBMNYXCSXIQGHF-QWHCGFSZSA-N 0 1 253.390 1.933 20 30 CDEDMN C=CC[C@H](NC(=O)NCC[C@@H]1CCC[N@H+](C)C1)C(=O)[O-] ZINC001354041209 968425827 /nfs/dbraw/zinc/42/58/27/968425827.db2.gz LNJUKKFZYNKLPC-RYUDHWBXSA-N 0 1 283.372 1.047 20 30 CDEDMN CC#CCN1CCC(NC(=O)c2ccnn2CC)CC1 ZINC001002673528 968972235 /nfs/dbraw/zinc/97/22/35/968972235.db2.gz DSGCRXRYEZVNQR-UHFFFAOYSA-N 0 1 274.368 1.121 20 30 CDEDMN N#Cc1cccc(-c2n[nH]c(NC(=O)[C@H]3C[C@@H](O)C3)n2)c1 ZINC001458051081 969254567 /nfs/dbraw/zinc/25/45/67/969254567.db2.gz XKMVRVNJXFTKPF-PHIMTYICSA-N 0 1 283.291 1.053 20 30 CDEDMN C#C[C@@H](NC[C@H](O)CN(C)CCC#N)c1ccccc1 ZINC001356609107 969442364 /nfs/dbraw/zinc/44/23/64/969442364.db2.gz 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975529528 /nfs/dbraw/zinc/52/95/28/975529528.db2.gz ACKRBYWXAOMDGJ-GFCCVEGCSA-N 0 1 297.790 1.023 20 30 CDEDMN C=C(Cl)CNC[C@@H](C)NC(=O)CCc1ccnc(C)n1 ZINC001401639309 975755539 /nfs/dbraw/zinc/75/55/39/975755539.db2.gz HYSOEXNEZMYWKW-LLVKDONJSA-N 0 1 296.802 1.564 20 30 CDEDMN C=C(Cl)CNC[C@H]1CCCN1C(=O)Cc1cnn(C)c1 ZINC001402075904 976111484 /nfs/dbraw/zinc/11/14/84/976111484.db2.gz UMXQGRPZYRTLRK-CYBMUJFWSA-N 0 1 296.802 1.296 20 30 CDEDMN C=C(Cl)CN[C@@H](C)CNC(=O)CCc1ccnn1C ZINC001398962090 976267687 /nfs/dbraw/zinc/26/76/87/976267687.db2.gz WHUQZKPVYUODHT-NSHDSACASA-N 0 1 284.791 1.200 20 30 CDEDMN N#CC1(C[N@H+]2CC[C@](C(=O)[O-])(C(F)(F)F)C2)CC1 ZINC000691546779 976365570 /nfs/dbraw/zinc/36/55/70/976365570.db2.gz AEDGICZNYLRKDA-JTQLQIEISA-N 0 1 262.231 1.629 20 30 CDEDMN N#CC1(C[N@@H+]2CC[C@](C(=O)[O-])(C(F)(F)F)C2)CC1 ZINC000691546779 976365579 /nfs/dbraw/zinc/36/55/79/976365579.db2.gz AEDGICZNYLRKDA-JTQLQIEISA-N 0 1 262.231 1.629 20 30 CDEDMN C[C@@H](C#N)C(=O)N(C)CCCN(C)Cc1ccc(F)cn1 ZINC001380947052 976619698 /nfs/dbraw/zinc/61/96/98/976619698.db2.gz HUJPUEZKWMZEKF-LBPRGKRZSA-N 0 1 292.358 1.661 20 30 CDEDMN C=C(Cl)CN[C@H](C)CN(C)C(=O)Cc1cnc[nH]1 ZINC001382121815 977177154 /nfs/dbraw/zinc/17/71/54/977177154.db2.gz PNIVINWHCYYDGO-SNVBAGLBSA-N 0 1 270.764 1.141 20 30 CDEDMN CC(C)(C#N)CCC[N@H+]1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC000715765752 977781997 /nfs/dbraw/zinc/78/19/97/977781997.db2.gz MGMKGLJYGZKWPU-SWLSCSKDSA-N 0 1 280.368 1.739 20 30 CDEDMN C#C[C@H](CCC)[NH2+][C@H](C(=O)[O-])c1cccc(C(=O)OC)c1 ZINC001588370503 983319985 /nfs/dbraw/zinc/31/99/85/983319985.db2.gz FLNHJDSNIARZOI-KGLIPLIRSA-N 0 1 289.331 1.990 20 30 CDEDMN C#CCC[NH+]1CCN([C@@H](C(=O)[O-])c2ccsc2)CC1 ZINC001588453701 983477073 /nfs/dbraw/zinc/47/70/73/983477073.db2.gz NWNBFIWMOHOAPY-CYBMUJFWSA-N 0 1 278.377 1.515 20 30 CDEDMN C#Cc1ccc(CN2CC[N@H+](C)C[C@@H](C(=O)[O-])C2)cc1 ZINC001588516775 983562307 /nfs/dbraw/zinc/56/23/07/983562307.db2.gz 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C=C[C@H](C(=O)[O-])[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC001588663835 983797211 /nfs/dbraw/zinc/79/72/11/983797211.db2.gz QJFMCGWFKQFVJH-UKRRQHHQSA-N 0 1 259.305 1.757 20 30 CDEDMN C=CC[C@@H](C(=O)[O-])[N@@H+]1CCN(c2cnccn2)[C@@H](C)C1 ZINC001588727873 983978200 /nfs/dbraw/zinc/97/82/00/983978200.db2.gz AAKJWEORCCBICB-RYUDHWBXSA-N 0 1 276.340 1.016 20 30 CDEDMN C=CC[C@@H](C(=O)[O-])[N@@H+]1C[C@@H](C)[C@H](CC(=O)OC)C1 ZINC001588732031 984014637 /nfs/dbraw/zinc/01/46/37/984014637.db2.gz UTUFKRNBVDHVMP-MXWKQRLJSA-N 0 1 255.314 1.147 20 30 CDEDMN C=CC[C@@H](C(=O)[O-])[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1 ZINC001588732017 984014655 /nfs/dbraw/zinc/01/46/55/984014655.db2.gz UHTRTMOXJLKLBO-MJBXVCDLSA-N 0 1 288.347 1.217 20 30 CDEDMN C=CC[C@@H]([NH2+]Cc1csc(N(C)C)n1)C(=O)[O-] ZINC001588749391 984065248 /nfs/dbraw/zinc/06/52/48/984065248.db2.gz JHOQLYXGHRLNRO-SECBINFHSA-N 0 1 255.343 1.328 20 30 CDEDMN C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])C2)C1 ZINC001588801238 984244199 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CDEDMN C=C(C)C[C@H](C)C(=O)NCCNCc1cnoc1C ZINC001132654078 1163418561 /nfs/dbraw/zinc/41/85/61/1163418561.db2.gz YIVVGPBJAFIPHP-NSHDSACASA-N 0 1 265.357 1.791 20 30 CDEDMN COC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+](CCC(C)(C)C#N)C1 ZINC001598780095 995974101 /nfs/dbraw/zinc/97/41/01/995974101.db2.gz SJJLHSRNOAEEED-GHMZBOCLSA-N 0 1 282.340 1.264 20 30 CDEDMN CC1(C#N)CC[NH+](Cc2cncc(C(=O)[O-])c2)CC1 ZINC001593742570 996361435 /nfs/dbraw/zinc/36/14/35/996361435.db2.gz AYOYILCSXAZAKE-UHFFFAOYSA-N 0 1 259.309 1.905 20 30 CDEDMN C=CCCCC(=O)NCCNCc1cc(OC)ccn1 ZINC001133154763 1163585984 /nfs/dbraw/zinc/58/59/84/1163585984.db2.gz SDDQQWGJWWOHRC-UHFFFAOYSA-N 0 1 277.368 1.652 20 30 CDEDMN C=C[C@@](C)(CC)C(=O)NCCN[C@H](C)c1n[nH]c(CC)n1 ZINC001133380357 1163664386 /nfs/dbraw/zinc/66/43/86/1163664386.db2.gz DUXVNIBXEHQWKF-ABAIWWIYSA-N 0 1 293.415 1.736 20 30 CDEDMN C[N@@H+](CC(C)(C)CO)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001606090831 1163769326 /nfs/dbraw/zinc/76/93/26/1163769326.db2.gz 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/nfs/dbraw/zinc/86/37/25/375863725.db2.gz DBWSDZSONSMGTO-UHFFFAOYSA-N 0 1 279.340 1.503 20 30 CDEDMN C[N@@H+](CCOc1cccc(C#N)c1)CC(C)(C)CO ZINC000295242769 375846639 /nfs/dbraw/zinc/84/66/39/375846639.db2.gz PMBKMHCNUJPPLC-UHFFFAOYSA-N 0 1 262.353 1.887 20 30 CDEDMN C[C@H](C(=O)N(C)CCC#N)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000193859178 375903208 /nfs/dbraw/zinc/90/32/08/375903208.db2.gz WNMXVGGTMWEVLQ-OLZOCXBDSA-N 0 1 289.383 1.350 20 30 CDEDMN CN(Cc1nnc[nH]1)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000328812395 375962136 /nfs/dbraw/zinc/96/21/36/375962136.db2.gz FPNOJEJTKZAIEZ-LBPRGKRZSA-N 0 1 285.351 1.881 20 30 CDEDMN O=C(N[C@@H]1CCCOC1)[C@@H]1CCc2[nH]nnc2C1 ZINC000328802627 375975716 /nfs/dbraw/zinc/97/57/16/375975716.db2.gz GUJJPRFXZVSKSI-RKDXNWHRSA-N 0 1 250.302 1.045 20 30 CDEDMN O=C(N[C@@H]1CCCOC1)[C@@H]1CCc2nn[nH]c2C1 ZINC000328802627 375975721 /nfs/dbraw/zinc/97/57/21/375975721.db2.gz GUJJPRFXZVSKSI-RKDXNWHRSA-N 0 1 250.302 1.045 20 30 CDEDMN Cc1nnc2n1C[C@@H](C[NH+]=C([O-])N(C)C1CCCC1)CC2 ZINC000328834132 375979028 /nfs/dbraw/zinc/97/90/28/375979028.db2.gz WOCVGANEGHQSRV-GFCCVEGCSA-N 0 1 291.399 1.937 20 30 CDEDMN CN1CCC[C@H]1C(=O)NCc1noc(C2CC2)n1 ZINC000328938358 376014103 /nfs/dbraw/zinc/01/41/03/376014103.db2.gz GRWALQFAMVVWDC-VIFPVBQESA-N 0 1 250.302 1.498 20 30 CDEDMN C[N@@H+](CC(=O)NCc1nncn1C1CC1)[C@H]1CCSC1 ZINC000328957424 376021422 /nfs/dbraw/zinc/02/14/22/376021422.db2.gz OACKKSCROUBQFI-NSHDSACASA-N 0 1 295.412 1.507 20 30 CDEDMN CN(CC(=O)NCc1nncn1C1CC1)[C@H]1CCSC1 ZINC000328957424 376021429 /nfs/dbraw/zinc/02/14/29/376021429.db2.gz OACKKSCROUBQFI-NSHDSACASA-N 0 1 295.412 1.507 20 30 CDEDMN C[N@@H+](CC(=O)NCc1nncn1C1CC1)[C@@H]1CCSC1 ZINC000328957423 376021666 /nfs/dbraw/zinc/02/16/66/376021666.db2.gz OACKKSCROUBQFI-LLVKDONJSA-N 0 1 295.412 1.507 20 30 CDEDMN CN(CC(=O)NCc1nncn1C1CC1)[C@@H]1CCSC1 ZINC000328957423 376021677 /nfs/dbraw/zinc/02/16/77/376021677.db2.gz OACKKSCROUBQFI-LLVKDONJSA-N 0 1 295.412 1.507 20 30 CDEDMN C=CCN(CC=C)C(=O)[C@@H](C)N1CCN(CC2CC2)CC1 ZINC000052165426 376340438 /nfs/dbraw/zinc/34/04/38/376340438.db2.gz AVOFOEMHCAPDHU-OAHLLOKOSA-N 0 1 291.439 1.603 20 30 CDEDMN C=CCn1cc(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)nn1 ZINC000631637561 376432877 /nfs/dbraw/zinc/43/28/77/376432877.db2.gz CAQLDTSWERUJBT-IHRRRGAJSA-N 0 1 274.368 1.511 20 30 CDEDMN CC(C)c1nc(CNC(=O)COc2ccccc2C#N)n[nH]1 ZINC000295756618 376698880 /nfs/dbraw/zinc/69/88/80/376698880.db2.gz OMKHTPGUGLJKCZ-UHFFFAOYSA-N 0 1 299.334 1.495 20 30 CDEDMN C#CCNC(=O)[C@@H](C)N(CC)Cc1ccccc1C ZINC000134028969 378017385 /nfs/dbraw/zinc/01/73/85/378017385.db2.gz MEYPONIYLKTLSB-CQSZACIVSA-N 0 1 258.365 1.955 20 30 CDEDMN Cc1nc([C@@H](C)NC(=O)C#Cc2ccc3c(c2)OCO3)n[nH]1 ZINC000286438037 378224619 /nfs/dbraw/zinc/22/46/19/378224619.db2.gz RCFSQOPVNMSSFE-SECBINFHSA-N 0 1 298.302 1.071 20 30 CDEDMN C=CCOCCCC(=O)N[C@@H](C)c1n[nH]c(C)n1 ZINC000286207609 378198851 /nfs/dbraw/zinc/19/88/51/378198851.db2.gz BHMDPRMXXKRHQW-VIFPVBQESA-N 0 1 252.318 1.273 20 30 CDEDMN C=CCNC(=O)CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193108544 378252965 /nfs/dbraw/zinc/25/29/65/378252965.db2.gz IUJJHMGSQBBVHA-AWEZNQCLSA-N 0 1 289.335 1.864 20 30 CDEDMN C=C[C@H](CO)NCc1cnc([C@@H]2CCCO2)s1 ZINC000289805018 378345809 /nfs/dbraw/zinc/34/58/09/378345809.db2.gz LEBVOKVHEOJGMP-KOLCDFICSA-N 0 1 254.355 1.631 20 30 CDEDMN C=C[C@@](C)(O)CC(=O)NC[C@@H](c1ccco1)N1CCCC1 ZINC000289729525 378346769 /nfs/dbraw/zinc/34/67/69/378346769.db2.gz HLTPLEBBWDRIPH-XJKSGUPXSA-N 0 1 292.379 1.860 20 30 CDEDMN C=C[C@H](CO)NC(=O)NCc1ccc(F)c(CN(C)C)c1 ZINC000291095521 378449902 /nfs/dbraw/zinc/44/99/02/378449902.db2.gz VOMOGMCAUWBWKA-CYBMUJFWSA-N 0 1 295.358 1.233 20 30 CDEDMN C#C[C@@H](C)NC(=O)NC[C@@H](c1ccco1)N(CC)CC ZINC000291159252 378432732 /nfs/dbraw/zinc/43/27/32/378432732.db2.gz FPDQWVPTEOXXON-OLZOCXBDSA-N 0 1 277.368 1.983 20 30 CDEDMN CC#CCN(C)CCOc1ccccc1C(=O)OC ZINC000293297499 378553339 /nfs/dbraw/zinc/55/33/39/378553339.db2.gz WJKOZZOSTQXBPG-UHFFFAOYSA-N 0 1 261.321 1.807 20 30 CDEDMN C#CCO[C@H](C)C(=O)NC[C@H](c1ccco1)N1CCCC1 ZINC000294288992 378628384 /nfs/dbraw/zinc/62/83/84/378628384.db2.gz HUNHOLPSTXNRGQ-ZIAGYGMSSA-N 0 1 290.363 1.571 20 30 CDEDMN COCCN1CCN(c2ccc(C#N)cn2)C[C@@H]1C ZINC000069706679 378592771 /nfs/dbraw/zinc/59/27/71/378592771.db2.gz VYXCLNLOZMKZKP-LBPRGKRZSA-N 0 1 260.341 1.110 20 30 CDEDMN C[C@@H]1[C@@H](NS(=O)(=O)CCCCC#N)CCCN1C ZINC000343963566 379034929 /nfs/dbraw/zinc/03/49/29/379034929.db2.gz CULCDODDFDTYBQ-NEPJUHHUSA-N 0 1 273.402 1.082 20 30 CDEDMN Cc1cc(C#N)nc(NCCCN2C[C@H](C)O[C@@H](C)C2)n1 ZINC000280918532 195029106 /nfs/dbraw/zinc/02/91/06/195029106.db2.gz FWJFJLXSZOSUAW-STQMWFEESA-N 0 1 289.383 1.568 20 30 CDEDMN C#CCN1CCC(c2nc(-c3ccn(C)c3)no2)CC1 ZINC000289339341 197303135 /nfs/dbraw/zinc/30/31/35/197303135.db2.gz FXCUNCRFRSHJGY-UHFFFAOYSA-N 0 1 270.336 1.888 20 30 CDEDMN CC(C#N)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000347116906 533112444 /nfs/dbraw/zinc/11/24/44/533112444.db2.gz SWBLYPQZKACMQG-DZGCQCFKSA-N 0 1 282.347 1.383 20 30 CDEDMN C[C@@H](C#N)CN(C)C(=O)c1cn[nH]c1-c1ccccn1 ZINC000352776904 533139072 /nfs/dbraw/zinc/13/90/72/533139072.db2.gz VYZAWIPQFHROGX-JTQLQIEISA-N 0 1 269.308 1.703 20 30 CDEDMN C=C(C)CN(CC)C(=O)CN1CC[C@@H](O)C(C)(C)C1 ZINC000311914585 262344706 /nfs/dbraw/zinc/34/47/06/262344706.db2.gz AOZZRIIOKJETGF-CYBMUJFWSA-N 0 1 268.401 1.504 20 30 CDEDMN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CSc1nnc(C)[nH]1 ZINC000281533322 195278313 /nfs/dbraw/zinc/27/83/13/195278313.db2.gz RZADKZCOVNQJLN-ZYHUDNBSSA-N 0 1 296.396 1.303 20 30 CDEDMN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)CSc1nc(C)n[nH]1 ZINC000281533322 195278314 /nfs/dbraw/zinc/27/83/14/195278314.db2.gz RZADKZCOVNQJLN-ZYHUDNBSSA-N 0 1 296.396 1.303 20 30 CDEDMN Cc1cc(C#N)ccc1S(=O)(=O)NCCN(C)C1CC1 ZINC000077387328 390498023 /nfs/dbraw/zinc/49/80/23/390498023.db2.gz ZFELMFJXNOTSHU-UHFFFAOYSA-N 0 1 293.392 1.239 20 30 CDEDMN COCC1(C)CN(C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000432752076 390487358 /nfs/dbraw/zinc/48/73/58/390487358.db2.gz IENDPGUPZSWPNW-CQSZACIVSA-N 0 1 290.363 1.266 20 30 CDEDMN CCN1C[C@H](C)N(C(=O)NCC(C)(C)C#N)C[C@H]1C ZINC000334196898 390558351 /nfs/dbraw/zinc/55/83/51/390558351.db2.gz LCOUGDZQBMQQJU-NEPJUHHUSA-N 0 1 266.389 1.660 20 30 CDEDMN CCc1ccc(CNCCNC(=O)C2N=CC=CC2=O)o1 ZINC000133935019 390938338 /nfs/dbraw/zinc/93/83/38/390938338.db2.gz VTVBGQDMUUZLDT-PFONDFGASA-N 0 1 289.335 1.458 20 30 CDEDMN N#CC(C(=O)NCc1ccco1)c1ccc([N+](=O)[O-])cn1 ZINC000359917695 390944087 /nfs/dbraw/zinc/94/40/87/390944087.db2.gz OESQMUWEFZXQNU-NSHDSACASA-N 0 1 286.247 1.506 20 30 CDEDMN C[C@@H]1CN(CC(C)(C)O)CCN1c1ncc(C#N)cc1F ZINC000413251956 391017260 /nfs/dbraw/zinc/01/72/60/391017260.db2.gz VQUHQPGTEVCPCG-LLVKDONJSA-N 0 1 292.358 1.374 20 30 CDEDMN C#CCOc1ccc(CN2CC3(C2)CCOC3)cc1 ZINC000293984004 391039880 /nfs/dbraw/zinc/03/98/80/391039880.db2.gz LCSQBGUPOMIOHY-UHFFFAOYSA-N 0 1 257.333 1.921 20 30 CDEDMN Cc1cnn(CC[NH+]=C([O-])NC[C@@H]2CCCCS2)c1 ZINC000329624029 391041088 /nfs/dbraw/zinc/04/10/88/391041088.db2.gz GCWVXMCXOKOHQY-LBPRGKRZSA-N 0 1 282.413 1.981 20 30 CDEDMN Cc1cnn(CCNC([O-])=[NH+]C[C@@H]2CCCCS2)c1 ZINC000329624029 391041093 /nfs/dbraw/zinc/04/10/93/391041093.db2.gz GCWVXMCXOKOHQY-LBPRGKRZSA-N 0 1 282.413 1.981 20 30 CDEDMN O=C(NCCOCC1CC1)N1CCC[C@@H](n2cncn2)C1 ZINC000329647380 391063598 /nfs/dbraw/zinc/06/35/98/391063598.db2.gz ANFLOZOENBLEHF-CYBMUJFWSA-N 0 1 293.371 1.256 20 30 CDEDMN O=C(CN1CCn2c(=O)[nH]nc2C1)NCc1cccs1 ZINC000329649787 391063895 /nfs/dbraw/zinc/06/38/95/391063895.db2.gz JRZKAHYVGYITLD-UHFFFAOYSA-N 0 1 293.352 1.018 20 30 CDEDMN CC1(C)COCCN1CCC(=O)Nc1cccc(C#N)c1 ZINC000048927649 391088772 /nfs/dbraw/zinc/08/87/72/391088772.db2.gz MDYYSCXIDRWBIT-UHFFFAOYSA-N 0 1 287.363 1.998 20 30 CDEDMN C[C@@H]1CN(C(=O)c2cccc(CC#N)c2)[C@H](C)CN1C ZINC000334448663 391152572 /nfs/dbraw/zinc/15/25/72/391152572.db2.gz RIQQGSPTQFIOHK-CHWSQXEVSA-N 0 1 271.364 1.917 20 30 CDEDMN CO[C@@H]1CC[C@@H](NC(=O)c2cccn3c(O)nnc23)C1 ZINC000329970505 533425094 /nfs/dbraw/zinc/42/50/94/533425094.db2.gz XWXSNYCRAIBZGJ-RKDXNWHRSA-N 0 1 276.296 1.307 20 30 CDEDMN CCN(CCCO)CC(=O)N(CCC#N)c1ccccc1 ZINC000266592917 391177240 /nfs/dbraw/zinc/17/72/40/391177240.db2.gz USQKEZOOSOHHET-UHFFFAOYSA-N 0 1 289.379 1.638 20 30 CDEDMN C=CCCC(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000338640340 391217454 /nfs/dbraw/zinc/21/74/54/391217454.db2.gz KHIJWDSGSYRZBM-BETUJISGSA-N 0 1 254.374 1.568 20 30 CDEDMN Cc1ccc(-c2n[nH]c(NC(=O)C(C)(C)C#N)n2)o1 ZINC000181887363 391227966 /nfs/dbraw/zinc/22/79/66/391227966.db2.gz AUBLAYBNNREYDZ-UHFFFAOYSA-N 0 1 259.269 1.861 20 30 CDEDMN C[S@](=O)C[C@H](NCCCC#N)c1ccccc1 ZINC000183097054 391251324 /nfs/dbraw/zinc/25/13/24/391251324.db2.gz DMBMBQPUGXKVRW-GUYCJALGSA-N 0 1 250.367 2.000 20 30 CDEDMN CC[C@@H](C#N)S(=O)(=O)Nc1ccc2c(c1)CCC2=O ZINC000416948298 391333558 /nfs/dbraw/zinc/33/35/58/391333558.db2.gz CEMSDJIKZYFQJD-NSHDSACASA-N 0 1 278.333 1.859 20 30 CDEDMN Cc1cc(C[C@@H](C)NC(=O)N2CCC(F)(C#N)CC2)n[nH]1 ZINC000345593614 391291464 /nfs/dbraw/zinc/29/14/64/391291464.db2.gz JTLSOWJPSSXWFC-SNVBAGLBSA-N 0 1 293.346 1.686 20 30 CDEDMN CCCN(CCN1CCCCC1)S(=O)(=O)[C@H](C)C#N ZINC000416488324 391317498 /nfs/dbraw/zinc/31/74/98/391317498.db2.gz OOVMDTVGUSQBBX-CYBMUJFWSA-N 0 1 287.429 1.426 20 30 CDEDMN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1C[C@H](C)N(C)[C@@H](C)C1 ZINC000339621547 391318465 /nfs/dbraw/zinc/31/84/65/391318465.db2.gz KUOLISQWJPLBLK-TTZDDIAXSA-N 0 1 294.443 1.454 20 30 CDEDMN C=CCCCS(=O)(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC000416538250 391319139 /nfs/dbraw/zinc/31/91/39/391319139.db2.gz AITDLTCBTIHVAQ-UHFFFAOYSA-N 0 1 286.401 1.488 20 30 CDEDMN COC(=O)c1cc(C(=O)C(C#N)c2ccncn2)cn1C ZINC000345989146 391327491 /nfs/dbraw/zinc/32/74/91/391327491.db2.gz GNNADMUUJCSHGU-JTQLQIEISA-N 0 1 284.275 1.092 20 30 CDEDMN COC(=O)c1cc(C(=O)[C@@H](C#N)c2ccncn2)cn1C ZINC000345989146 391327492 /nfs/dbraw/zinc/32/74/92/391327492.db2.gz GNNADMUUJCSHGU-JTQLQIEISA-N 0 1 284.275 1.092 20 30 CDEDMN CC[C@H](NC(=O)C(C#N)CCc1ccccc1)C(=O)OC ZINC000346369476 391353263 /nfs/dbraw/zinc/35/32/63/391353263.db2.gz JLWASWRGTRHTFX-KBPBESRZSA-N 0 1 288.347 1.827 20 30 CDEDMN C=CCCN(C)C(=O)c1cnc(CCOCCOC)[nH]1 ZINC000349321186 391545222 /nfs/dbraw/zinc/54/52/22/391545222.db2.gz KORIXZZFLCRKMW-UHFFFAOYSA-N 0 1 281.356 1.263 20 30 CDEDMN C[C@@H](CN1CCN(C)CC1)Nc1ncc(C#N)cc1F ZINC000413140533 391590682 /nfs/dbraw/zinc/59/06/82/391590682.db2.gz RXHMABJWVGRVBE-NSHDSACASA-N 0 1 277.347 1.140 20 30 CDEDMN CN(CC(=O)NC1(C#N)CCCCC1)[C@H](CO)C(C)(C)C ZINC000134367212 391690944 /nfs/dbraw/zinc/69/09/44/391690944.db2.gz PZSAIKBYENCWJV-CYBMUJFWSA-N 0 1 295.427 1.668 20 30 CDEDMN Cc1ccccc1[C@@H]1CCCN1CC(=O)NCC#N ZINC000102823084 391748989 /nfs/dbraw/zinc/74/89/89/391748989.db2.gz IXDAFZZJEZPVQV-AWEZNQCLSA-N 0 1 257.337 1.772 20 30 CDEDMN COCCCN(CCO)Cc1cc(C#N)ccc1F ZINC000189867618 130031860 /nfs/dbraw/zinc/03/18/60/130031860.db2.gz YJHSBGPCDHBGGT-UHFFFAOYSA-N 0 1 266.316 1.528 20 30 CDEDMN C[C@H](NC(=O)NC[C@@H]1CCCCS1)c1nnc[nH]1 ZINC000329764431 391774907 /nfs/dbraw/zinc/77/49/07/391774907.db2.gz VRYMSBUZAIMBRN-IUCAKERBSA-N 0 1 269.374 1.655 20 30 CDEDMN O=C(N[C@@H]1CCSC1)N1CCO[C@@H](Cn2cccn2)C1 ZINC000329793301 391779697 /nfs/dbraw/zinc/77/96/97/391779697.db2.gz AYFWHJCVMVSJAL-VXGBXAGGSA-N 0 1 296.396 1.003 20 30 CDEDMN CNC(=O)CC1CCN(Cc2cc(C#N)n(C)c2)CC1 ZINC000191388707 130230668 /nfs/dbraw/zinc/23/06/68/130230668.db2.gz BILLWGSGAZOYRQ-UHFFFAOYSA-N 0 1 274.368 1.245 20 30 CDEDMN COC1CCN(C([O-])=[NH+]CCn2cnnc2C2CC2)CC1 ZINC000329934229 391802332 /nfs/dbraw/zinc/80/23/32/391802332.db2.gz JQGUBXQHFKZCOP-UHFFFAOYSA-N 0 1 293.371 1.180 20 30 CDEDMN O=C(NCC1CCSCC1)N1CCn2ncnc2C1 ZINC000329948431 391804281 /nfs/dbraw/zinc/80/42/81/391804281.db2.gz ZAFXJDQQYJHISQ-UHFFFAOYSA-N 0 1 281.385 1.151 20 30 CDEDMN C[C@H](OC[C@@H]1CCCO1)C(=O)NC1(c2nnc[nH]2)CCC1 ZINC000329910797 391798070 /nfs/dbraw/zinc/79/80/70/391798070.db2.gz NNKWLNJSFPQDNH-QWRGUYRKSA-N 0 1 294.355 1.725 20 30 CDEDMN COC1CCN(C([O-])=[NH+][C@H]2CCn3ccnc3C2)CC1 ZINC000329917205 391799001 /nfs/dbraw/zinc/79/90/01/391799001.db2.gz QSPKSTBZIODNKG-NSHDSACASA-N 0 1 278.356 1.223 20 30 CDEDMN C[C@H](CCC1CC1)NC(=O)N[C@H]1CCc2ncnn2C1 ZINC000329954253 391806370 /nfs/dbraw/zinc/80/63/70/391806370.db2.gz NRIMMRPMTUDWAB-PWSUYJOCSA-N 0 1 277.372 1.675 20 30 CDEDMN C[C@H](CCC1CC1)[NH+]=C([O-])N[C@H]1CCc2ncnn2C1 ZINC000329954253 391806372 /nfs/dbraw/zinc/80/63/72/391806372.db2.gz NRIMMRPMTUDWAB-PWSUYJOCSA-N 0 1 277.372 1.675 20 30 CDEDMN CC[C@]1(O)CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000495251039 391907804 /nfs/dbraw/zinc/90/78/04/391907804.db2.gz VHVPFMGRFVVLAE-WBVHZDCISA-N 0 1 299.374 1.510 20 30 CDEDMN Cc1csc(C(C#N)C(=O)c2ccc3n[nH]c(=O)n3c2)n1 ZINC000342904565 392061407 /nfs/dbraw/zinc/06/14/07/392061407.db2.gz NMLGEVDAXBAEDY-VIFPVBQESA-N 0 1 299.315 1.690 20 30 CDEDMN C#CCNC(=O)[C@H](C)N1CCN(C)c2ccccc2C1 ZINC000263945362 131366667 /nfs/dbraw/zinc/36/66/67/131366667.db2.gz UDZVJFYLKCUPTO-ZDUSSCGKSA-N 0 1 271.364 1.076 20 30 CDEDMN Cc1nc(CCNc2cc(C)c([N+](=O)[O-])cc2C#N)n[nH]1 ZINC000413175288 392828570 /nfs/dbraw/zinc/82/85/70/392828570.db2.gz JUAYSDVZCSQNLH-UHFFFAOYSA-N 0 1 286.295 1.856 20 30 CDEDMN Cc1nnc(CCNc2cc(C)c([N+](=O)[O-])cc2C#N)[nH]1 ZINC000413175288 392828574 /nfs/dbraw/zinc/82/85/74/392828574.db2.gz JUAYSDVZCSQNLH-UHFFFAOYSA-N 0 1 286.295 1.856 20 30 CDEDMN C=CCC[C@@H](O)CN1CCN(Cc2noc(CC)n2)CC1 ZINC000268545037 132024995 /nfs/dbraw/zinc/02/49/95/132024995.db2.gz LXIMTUJXUFYLBM-CYBMUJFWSA-N 0 1 294.399 1.077 20 30 CDEDMN Cn1cc(C#N)c(=NC(=O)c2ccnn2C2CCCC2)[nH]1 ZINC000429607538 393083147 /nfs/dbraw/zinc/08/31/47/393083147.db2.gz VWRWALXVYSAEBX-UHFFFAOYSA-N 0 1 284.323 1.278 20 30 CDEDMN N#Cc1ccc(CNCCOC[C@@H]2CCCO2)c(F)c1 ZINC000533309364 393080167 /nfs/dbraw/zinc/08/01/67/393080167.db2.gz OHNIRLKHHXPWPW-AWEZNQCLSA-N 0 1 278.327 1.983 20 30 CDEDMN Cc1nc(NC[C@H]2CN(CC(C)C)CCO2)ccc1C#N ZINC000487938231 393347016 /nfs/dbraw/zinc/34/70/16/393347016.db2.gz HFXUMMKMQZDQHB-HNNXBMFYSA-N 0 1 288.395 1.452 20 30 CDEDMN C[C@H]1CN(C)CCN1CC(=O)Nc1cccc(C#N)c1 ZINC000225146357 140175127 /nfs/dbraw/zinc/17/51/27/140175127.db2.gz QVOXFXHQAGWCQG-LBPRGKRZSA-N 0 1 272.352 1.133 20 30 CDEDMN CN(C(=O)c1cnccc1C#N)[C@H]1CCCN(C)C1 ZINC000258762681 140338525 /nfs/dbraw/zinc/33/85/25/140338525.db2.gz AQECAQDUDKGUGR-LBPRGKRZSA-N 0 1 258.325 1.119 20 30 CDEDMN COC(=O)[C@@]1(C)CCN(Cc2cc(C#N)ccc2OC)C1 ZINC000178487230 148061483 /nfs/dbraw/zinc/06/14/83/148061483.db2.gz GJURURYUTWOVLO-INIZCTEOSA-N 0 1 288.347 1.952 20 30 CDEDMN Cc1nc([C@@H](C)NC(=O)c2ccc(C#N)cc2)n[nH]1 ZINC000343371298 152143172 /nfs/dbraw/zinc/14/31/72/152143172.db2.gz VCQCNJPPTKAVEO-MRVPVSSYSA-N 0 1 255.281 1.476 20 30 CDEDMN C[C@@H]1[C@H](NC(=O)c2sccc2C#N)CCCN1C ZINC000343437457 152176068 /nfs/dbraw/zinc/17/60/68/152176068.db2.gz IMGKTHMGBDCECV-MWLCHTKSSA-N 0 1 263.366 1.832 20 30 CDEDMN CC1(CN2CCN(c3cccc(F)c3C#N)CC2)COC1 ZINC000345933447 153000558 /nfs/dbraw/zinc/00/05/58/153000558.db2.gz MQOBWRICHLTRLR-UHFFFAOYSA-N 0 1 289.354 1.856 20 30 CDEDMN C[C@H]1CCN(C)CCN1C(=O)c1cc(C#N)ccn1 ZINC000353760000 156066411 /nfs/dbraw/zinc/06/64/11/156066411.db2.gz OZUGPNBWXCHPOX-NSHDSACASA-N 0 1 258.325 1.119 20 30 CDEDMN COCC1(O)CCN(Cc2cc(C#N)cs2)CC1 ZINC000353888282 156144223 /nfs/dbraw/zinc/14/42/23/156144223.db2.gz WYXVJUNHUKZYJX-UHFFFAOYSA-N 0 1 266.366 1.593 20 30 CDEDMN CCCCOCCN1CCC[C@@H](NC(=O)C#CC2CC2)C1 ZINC001664993559 1172929523 /nfs/dbraw/zinc/92/95/23/1172929523.db2.gz UJLUVGAMOFYUIH-MRXNPFEDSA-N 0 1 292.423 1.797 20 30 CDEDMN C=CC[C@H]1CCCN(C(=O)N[C@H]2CCN(CCOC)C2)C1 ZINC000660706008 413397337 /nfs/dbraw/zinc/39/73/37/413397337.db2.gz ZMKASDZUMOMMML-GJZGRUSLSA-N 0 1 295.427 1.705 20 30 CDEDMN C=CC[C@H]1CCCN(C(=O)C(=O)N(C)Cc2cnc[nH]2)C1 ZINC000658811117 413446915 /nfs/dbraw/zinc/44/69/15/413446915.db2.gz HMVMXWLYKYZHPL-LBPRGKRZSA-N 0 1 290.367 1.183 20 30 CDEDMN C#C[C@@H]1CCCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001588332886 1173037388 /nfs/dbraw/zinc/03/73/88/1173037388.db2.gz VCGXPAJAKUKOIM-SSDOTTSWSA-N 0 1 294.771 1.826 20 30 CDEDMN C=C(C)CNC(=O)NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000654640048 413526201 /nfs/dbraw/zinc/52/62/01/413526201.db2.gz IFCAKTFMKTXHRH-SECBINFHSA-N 0 1 265.317 1.032 20 30 CDEDMN C=CCC1(NC(=O)c2ccc(CN)o2)CCOCC1 ZINC000662874760 413638991 /nfs/dbraw/zinc/63/89/91/413638991.db2.gz PQIQDSQONNEYSS-UHFFFAOYSA-N 0 1 264.325 1.593 20 30 CDEDMN C#CCN(Cc1cc(-c2nn[nH]n2)cs1)CC1CC1 ZINC001588351087 1173051069 /nfs/dbraw/zinc/05/10/69/1173051069.db2.gz ZSHJXGLZFLYKMP-UHFFFAOYSA-N 0 1 273.365 1.773 20 30 CDEDMN C=C(CNC(=O)NCCCc1nc[nH]n1)c1ccccc1 ZINC000664899717 413722312 /nfs/dbraw/zinc/72/23/12/413722312.db2.gz ZUXCKPNKPMXWQB-UHFFFAOYSA-N 0 1 285.351 1.750 20 30 CDEDMN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)Cc1cnc[nH]1 ZINC000661086054 413771267 /nfs/dbraw/zinc/77/12/67/413771267.db2.gz UHVIKXVVFLRMTI-GFCCVEGCSA-N 0 1 264.373 1.655 20 30 CDEDMN C=CCCNC(=O)NCc1n[nH]c([C@H]2CCCO2)n1 ZINC000665252406 413978464 /nfs/dbraw/zinc/97/84/64/413978464.db2.gz OYBVQAMEFCYZMK-SECBINFHSA-N 0 1 265.317 1.032 20 30 CDEDMN CN(C)C1CN(C(=O)c2cc(C#N)ccc2Cl)C1 ZINC000285706026 196372864 /nfs/dbraw/zinc/37/28/64/196372864.db2.gz DJNVFZXFLFXNEK-UHFFFAOYSA-N 0 1 263.728 1.598 20 30 CDEDMN C=C[C@@H](C(=O)[O-])[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000659797660 414123531 /nfs/dbraw/zinc/12/35/31/414123531.db2.gz OZOCJOSLYBEJJG-ZNMIVQPWSA-N 0 1 275.348 1.724 20 30 CDEDMN C=CCCNC(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000661569719 414173910 /nfs/dbraw/zinc/17/39/10/414173910.db2.gz SXSGVGOXJMFENK-GFCCVEGCSA-N 0 1 269.389 1.049 20 30 CDEDMN C=CCCn1cc(CNC[C@@](C)(O)C2CC2)nn1 ZINC000657369274 414242277 /nfs/dbraw/zinc/24/22/77/414242277.db2.gz BYFSMKKYGBKJMR-CYBMUJFWSA-N 0 1 250.346 1.105 20 30 CDEDMN C=CCCn1cc(CNCC(C)(C)C(C)(C)O)nn1 ZINC000657485725 414384493 /nfs/dbraw/zinc/38/44/93/414384493.db2.gz QIMOABOIVROMMX-UHFFFAOYSA-N 0 1 266.389 1.741 20 30 CDEDMN C=C[C@H](CO)NCC(=O)NCc1ccc(OCCC)cc1 ZINC000662166779 414546613 /nfs/dbraw/zinc/54/66/13/414546613.db2.gz GRHHTSODSMVMFD-CQSZACIVSA-N 0 1 292.379 1.228 20 30 CDEDMN C=C(Cl)COc1ccc(F)nc1-c1nn[nH]n1 ZINC001588447195 1173064682 /nfs/dbraw/zinc/06/46/82/1173064682.db2.gz AMCQWMPXCOSHPX-UHFFFAOYSA-N 0 1 255.640 1.532 20 30 CDEDMN C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC000043585576 175071528 /nfs/dbraw/zinc/07/15/28/175071528.db2.gz DKHWMPPWYDKJRE-CQSZACIVSA-N 0 1 294.395 1.764 20 30 CDEDMN CC[C@@H](C(=O)[O-])[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000044620370 175219009 /nfs/dbraw/zinc/21/90/09/175219009.db2.gz QLZGYKZKNGDCGM-ZDUSSCGKSA-N 0 1 289.335 1.682 20 30 CDEDMN C[C@@H](CN1CCN(C)CC1)Nc1c(F)cc(C#N)cc1F ZINC000078543705 177352346 /nfs/dbraw/zinc/35/23/46/177352346.db2.gz SNGPQQWSRKCZOB-NSHDSACASA-N 0 1 294.349 1.884 20 30 CDEDMN O=C(CCc1cnc[nH]1)N[C@H]1CCCCNC1=O ZINC000329249673 227380336 /nfs/dbraw/zinc/38/03/36/227380336.db2.gz TXOFPSWPYPTJEW-JTQLQIEISA-N 0 1 250.302 1.808 20 30 CDEDMN O=C(N[C@H](CO)CC1CCCC1)[C@H]1CCc2[nH]nnc2C1 ZINC000329071455 227282326 /nfs/dbraw/zinc/28/23/26/227282326.db2.gz YYMUUVPEVUZAHJ-RYUDHWBXSA-N 0 1 292.383 1.807 20 30 CDEDMN O=C(N[C@H](CO)CC1CCCC1)[C@H]1CCc2nn[nH]c2C1 ZINC000329071455 227282329 /nfs/dbraw/zinc/28/23/29/227282329.db2.gz YYMUUVPEVUZAHJ-RYUDHWBXSA-N 0 1 292.383 1.807 20 30 CDEDMN Cc1nccn1C[C@H]1CCCN1C([O-])=[NH+][C@H]1[C@@H]2COC[C@@H]21 ZINC000330024198 228019834 /nfs/dbraw/zinc/01/98/34/228019834.db2.gz JPCBRXOCJBTGBF-MQYQWHSLSA-N 0 1 290.367 1.215 20 30 CDEDMN O=C(NC[C@H]1CCCC1=O)c1csc(=NC2CC2)[nH]1 ZINC000330079869 228034584 /nfs/dbraw/zinc/03/45/84/228034584.db2.gz IZTMIZSMUJWQIZ-MRVPVSSYSA-N 0 1 279.365 1.813 20 30 CDEDMN Cc1nnccc1NC(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000330161600 228053346 /nfs/dbraw/zinc/05/33/46/228053346.db2.gz TWRGFVUITOIJTN-SNVBAGLBSA-N 0 1 272.312 1.392 20 30 CDEDMN O=C(NCC1(CO)CCOCC1)[C@H]1CCCN1C1CC1 ZINC000330249546 228079790 /nfs/dbraw/zinc/07/97/90/228079790.db2.gz ZXKZWUGQNWRQDH-CYBMUJFWSA-N 0 1 282.384 1.359 20 30 CDEDMN C[C@@H](CC#N)NC(=O)c1cn[nH]c1-c1ccccn1 ZINC000353780314 228153065 /nfs/dbraw/zinc/15/30/65/228153065.db2.gz SMKKQNNIKJMERG-VIFPVBQESA-N 0 1 255.281 1.504 20 30 CDEDMN N#CC1(CNC(=O)N2CCC(c3cnc[nH]3)CC2)CCC1 ZINC000333908394 228219965 /nfs/dbraw/zinc/21/99/65/228219965.db2.gz KONBAGNZXMNIFA-UHFFFAOYSA-N 0 1 287.367 1.993 20 30 CDEDMN C#CCN1CCC[C@@H]1COC(=O)CCc1c(C)noc1C ZINC000490616280 261170397 /nfs/dbraw/zinc/17/03/97/261170397.db2.gz JRBHHBADOHVAOW-CQSZACIVSA-N 0 1 290.363 1.865 20 30 CDEDMN C=CCNC(=O)NC(=O)[C@@H](C)N1CCS[C@@H](C)CC1 ZINC000248990032 261231323 /nfs/dbraw/zinc/23/13/23/261231323.db2.gz HBFDEUJSLCXPBI-WDEREUQCSA-N 0 1 285.413 1.214 20 30 CDEDMN COc1nc(C)ccc1C(=O)C(C#N)c1ccncn1 ZINC000354473777 262262488 /nfs/dbraw/zinc/26/24/88/262262488.db2.gz QBZSGNSEETXFJA-NSHDSACASA-N 0 1 268.276 1.679 20 30 CDEDMN C=CCCCN1CCN(CC(=O)N(CC)CC)CC1 ZINC000118000231 262376585 /nfs/dbraw/zinc/37/65/85/262376585.db2.gz GYYRTQFFTPXOOF-UHFFFAOYSA-N 0 1 267.417 1.439 20 30 CDEDMN CC[C@@H](C#N)NC(=O)CCSc1nnc(C)[nH]1 ZINC000266866155 262920390 /nfs/dbraw/zinc/92/03/90/262920390.db2.gz 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CN1CC[C@H]1CNC(=O)[C@H](CC#N)c1ccccc1 ZINC001535646210 969577718 /nfs/dbraw/zinc/57/77/18/969577718.db2.gz DSHMXLSUTVWACB-UONOGXRCSA-N 0 1 257.337 1.504 20 30 CDEDMN CCOc1cnc(C(=O)C(C#N)c2cccc(F)n2)cn1 ZINC001357640411 969633777 /nfs/dbraw/zinc/63/37/77/969633777.db2.gz ZDPDIPSDILOKBH-VIFPVBQESA-N 0 1 286.266 1.899 20 30 CDEDMN Cc1ccnn1CC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC001461919280 969654962 /nfs/dbraw/zinc/65/49/62/969654962.db2.gz HJLBSNZRFZPXQF-UHFFFAOYSA-N 0 1 280.291 1.578 20 30 CDEDMN C[C@H](NC(=O)[C@@H](CC#N)c1ccccc1)c1nnc[nH]1 ZINC001466170469 969931280 /nfs/dbraw/zinc/93/12/80/969931280.db2.gz GCKOWTPLRBCLGR-JQWIXIFHSA-N 0 1 269.308 1.679 20 30 CDEDMN CN(Cc1cnc[nH]1)C(=O)Nc1cccc(C#N)n1 ZINC001466942126 970015076 /nfs/dbraw/zinc/01/50/76/970015076.db2.gz YJXUMTAHCXPWDR-UHFFFAOYSA-N 0 1 256.269 1.340 20 30 CDEDMN CC=C(C(=O)N=c1nc(C)[nH]n1CC)c1ccccc1 ZINC001521728588 970346136 /nfs/dbraw/zinc/34/61/36/970346136.db2.gz ZWXYEUKKCPOSNE-CYBMUJFWSA-N 0 1 270.336 1.937 20 30 CDEDMN Cc1nc[nH]c1C(=O)NCCN(C)Cc1ccc(C#N)cc1 ZINC001372253487 972873777 /nfs/dbraw/zinc/87/37/77/972873777.db2.gz FJJVOYLGPSFERG-UHFFFAOYSA-N 0 1 297.362 1.452 20 30 CDEDMN N#CC1(C(=O)NC[C@@H](c2nc[nH]n2)c2ccccc2)CCC1 ZINC001417835005 973406477 /nfs/dbraw/zinc/40/64/77/973406477.db2.gz AXCDLMGPFGCYLV-CYBMUJFWSA-N 0 1 295.346 1.747 20 30 CDEDMN C=C(Cl)CNC[C@H](C)NC(=O)c1cccn1C ZINC001498013374 973598663 /nfs/dbraw/zinc/59/86/63/973598663.db2.gz LZTRBQHOAWQODD-JTQLQIEISA-N 0 1 255.749 1.486 20 30 CDEDMN C=C(Cl)CN[C@@H](CC)CNC(=O)Cc1c[nH]cn1 ZINC001373800303 973648124 /nfs/dbraw/zinc/64/81/24/973648124.db2.gz IVDACALQUJVTET-JTQLQIEISA-N 0 1 270.764 1.189 20 30 CDEDMN C=C(Cl)CN[C@H](C)CNC(=O)c1ccc2nonc2c1 ZINC001418268539 973714187 /nfs/dbraw/zinc/71/41/87/973714187.db2.gz WDKMOFUAZODHFU-SECBINFHSA-N 0 1 294.742 1.683 20 30 CDEDMN C=C(Cl)CN[C@@H](C)CNC(=O)Cc1ccc(OC)cn1 ZINC001418272726 973717011 /nfs/dbraw/zinc/71/70/11/973717011.db2.gz TUPCIMKIRJHULA-NSHDSACASA-N 0 1 297.786 1.480 20 30 CDEDMN C=C(Cl)CNC[C@H](O)CNC(=O)c1ccc(C)cc1 ZINC001374670891 974061826 /nfs/dbraw/zinc/06/18/26/974061826.db2.gz HAKUKCHYYRFCNR-ZDUSSCGKSA-N 0 1 282.771 1.428 20 30 CDEDMN C=C(Cl)CNC[C@H](C)NC(=O)c1cccnc1N(C)C ZINC001374978367 974198743 /nfs/dbraw/zinc/19/87/43/974198743.db2.gz XRZDXEOUAXBSBP-NSHDSACASA-N 0 1 296.802 1.608 20 30 CDEDMN C=C(Cl)CNC1(CNC(=O)Cc2cncs2)CC1 ZINC001375433337 974378031 /nfs/dbraw/zinc/37/80/31/974378031.db2.gz OROJJXAIMYBQLU-UHFFFAOYSA-N 0 1 285.800 1.677 20 30 CDEDMN C=C(Cl)CN[C@@H](CNC(=O)Cc1cscn1)C1CC1 ZINC001376250592 974615010 /nfs/dbraw/zinc/61/50/10/974615010.db2.gz PTPOSCZPAKQDSM-LBPRGKRZSA-N 0 1 299.827 1.923 20 30 CDEDMN C=C(Cl)CNC1(CNC(=O)CCn2ccnc2)CCC1 ZINC001501987182 974667285 /nfs/dbraw/zinc/66/72/85/974667285.db2.gz PWSQWQUZOYLQFK-UHFFFAOYSA-N 0 1 296.802 1.654 20 30 CDEDMN C=C(Cl)CNC[C@@H](CCCC)NC(=O)c1[nH]nnc1C ZINC001506544135 975176461 /nfs/dbraw/zinc/17/64/61/975176461.db2.gz HYFVTVISIMWDNQ-LLVKDONJSA-N 0 1 299.806 1.744 20 30 CDEDMN C=C(Cl)CN(C)C[C@H]1CCN(C(=O)c2n[nH]cc2C)C1 ZINC001404586538 975429845 /nfs/dbraw/zinc/42/98/45/975429845.db2.gz DSSJAWGCLZMBCH-GFCCVEGCSA-N 0 1 296.802 1.865 20 30 CDEDMN C=C(Cl)CNC[C@@H](C)N(C)C(=O)COCC1CC1 ZINC001378741668 975469605 /nfs/dbraw/zinc/46/96/05/975469605.db2.gz MFLBWOSPLXDMIR-LLVKDONJSA-N 0 1 274.792 1.602 20 30 CDEDMN C=C(Cl)CNC[C@H](O)CNC(=O)[C@@H]1Cc2ccccc21 ZINC001379238603 975727123 /nfs/dbraw/zinc/72/71/23/975727123.db2.gz MBKFRPMOCUNWPL-GXTWGEPZSA-N 0 1 294.782 1.146 20 30 CDEDMN Cc1cc(C(=O)N[C@@H](C)CNCc2ccccc2C#N)[nH]n1 ZINC001401665584 975772771 /nfs/dbraw/zinc/77/27/71/975772771.db2.gz DVFBPXLAHKWXAB-LBPRGKRZSA-N 0 1 297.362 1.498 20 30 CDEDMN C=C(Cl)CN[C@@H](CNC(=O)COC(C)C)C1CC1 ZINC001398377341 975962832 /nfs/dbraw/zinc/96/28/32/975962832.db2.gz QYVKAFJSDSXPHO-LBPRGKRZSA-N 0 1 274.792 1.648 20 30 CDEDMN Cc1n[nH]cc1C(=O)N[C@@H](C)CNCc1ccccc1C#N ZINC001406508421 976227600 /nfs/dbraw/zinc/22/76/00/976227600.db2.gz QNSHOQOFYOXYJY-NSHDSACASA-N 0 1 297.362 1.498 20 30 CDEDMN C#CCN1CCC[C@@H]1COC(=O)c1ccc2[nH]cnc2c1 ZINC001515209930 976410065 /nfs/dbraw/zinc/41/00/65/976410065.db2.gz MWJHYFWCHOUZJP-CYBMUJFWSA-N 0 1 283.331 1.817 20 30 CDEDMN CCOCC(=O)NC[C@@H](C)NCc1ccccc1C#N ZINC001402840763 976523245 /nfs/dbraw/zinc/52/32/45/976523245.db2.gz UFCDFRDSRJPXDW-GFCCVEGCSA-N 0 1 275.352 1.189 20 30 CDEDMN C=C(Cl)CN[C@@H](C)CNC(=O)c1cc(OCC)no1 ZINC001402949562 976611557 /nfs/dbraw/zinc/61/15/57/976611557.db2.gz AVGBJCVBBVUJSP-VIFPVBQESA-N 0 1 287.747 1.534 20 30 CDEDMN C=C(Cl)CN[C@H](C)CNC(=O)c1cc(OCC)no1 ZINC001402949561 976611843 /nfs/dbraw/zinc/61/18/43/976611843.db2.gz AVGBJCVBBVUJSP-SECBINFHSA-N 0 1 287.747 1.534 20 30 CDEDMN CO[C@@H](C)C(=O)NCC1CN(Cc2ccc(C#N)cc2)C1 ZINC001391472870 976905500 /nfs/dbraw/zinc/90/55/00/976905500.db2.gz BBJKQLQLGCATIB-LBPRGKRZSA-N 0 1 287.363 1.141 20 30 CDEDMN C[C@@H](C#N)OCC[N@H+]1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000701456356 977014687 /nfs/dbraw/zinc/01/46/87/977014687.db2.gz HEOGBRGNWYJMGS-GVXVVHGQSA-N 0 1 252.314 1.102 20 30 CDEDMN COCCC(=O)N(C)C[C@H](C)NCc1ccccc1C#N ZINC001382040384 977131860 /nfs/dbraw/zinc/13/18/60/977131860.db2.gz KCXGTZIHIAHAHL-ZDUSSCGKSA-N 0 1 289.379 1.531 20 30 CDEDMN C=C(Cl)CNC[C@H](C)NC(=O)c1csc2cncn21 ZINC001392597954 977490183 /nfs/dbraw/zinc/49/01/83/977490183.db2.gz ZISPJNNFBOJRTI-VIFPVBQESA-N 0 1 298.799 1.856 20 30 CDEDMN C=C(Cl)CNC[C@H]1CCCN1C(=O)c1ccn(C)n1 ZINC001393050564 977685760 /nfs/dbraw/zinc/68/57/60/977685760.db2.gz FFOKVZPVVJHHBT-LLVKDONJSA-N 0 1 282.775 1.367 20 30 CDEDMN C=CCN1C[C@H](NC(=O)COCC(F)F)CC[C@H]1C ZINC001132202396 1163198594 /nfs/dbraw/zinc/19/85/94/1163198594.db2.gz GUFTWZSZNWUYCV-GHMZBOCLSA-N 0 1 276.327 1.423 20 30 CDEDMN C=C(C)C(C)(C)C(=O)NCCNCc1cnnn1CC ZINC001132301608 1163228095 /nfs/dbraw/zinc/22/80/95/1163228095.db2.gz BTRANIQNPFSFMY-UHFFFAOYSA-N 0 1 279.388 1.106 20 30 CDEDMN C#C[C@@H]1CCCC[N@H+]1CC(=O)N[C@H](C(=O)[O-])[C@H](C)CC ZINC001588382658 983373232 /nfs/dbraw/zinc/37/32/32/983373232.db2.gz RRYRYWLLPBPZFJ-BZPMIXESSA-N 0 1 280.368 1.090 20 30 CDEDMN C#C[C@@H]1CCCC[N@@H+]1CC(=O)N[C@H](C(=O)[O-])[C@H](C)CC ZINC001588382658 983373237 /nfs/dbraw/zinc/37/32/37/983373237.db2.gz RRYRYWLLPBPZFJ-BZPMIXESSA-N 0 1 280.368 1.090 20 30 CDEDMN C#CC[N@H+](CC(=O)Nc1ccc(C(=O)[O-])cc1)C(C)C ZINC001588465873 983497032 /nfs/dbraw/zinc/49/70/32/983497032.db2.gz LFWDTVBKFKUNLR-UHFFFAOYSA-N 0 1 274.320 1.667 20 30 CDEDMN C#CC[N@@H+](CC(=O)Nc1ccc(C(=O)[O-])cc1)C(C)C ZINC001588465873 983497034 /nfs/dbraw/zinc/49/70/34/983497034.db2.gz LFWDTVBKFKUNLR-UHFFFAOYSA-N 0 1 274.320 1.667 20 30 CDEDMN C#CCOCC[N@@H+](C)[C@H](C(=O)[O-])c1cccc(OC)c1 ZINC001588489805 983529403 /nfs/dbraw/zinc/52/94/03/983529403.db2.gz MMYVBEAHIYYKMZ-AWEZNQCLSA-N 0 1 277.320 1.403 20 30 CDEDMN C#CCOCC[N@H+](C)[C@H](C(=O)[O-])c1cccc(OC)c1 ZINC001588489805 983529406 /nfs/dbraw/zinc/52/94/06/983529406.db2.gz MMYVBEAHIYYKMZ-AWEZNQCLSA-N 0 1 277.320 1.403 20 30 CDEDMN CC[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)C(C)(C)C(=O)[O-] ZINC001596201483 983586013 /nfs/dbraw/zinc/58/60/13/983586013.db2.gz DFEGUUIJKINLLR-CQSZACIVSA-N 0 1 283.372 1.226 20 30 CDEDMN CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C(C)(C)C(=O)[O-] ZINC001596201483 983586016 /nfs/dbraw/zinc/58/60/16/983586016.db2.gz DFEGUUIJKINLLR-CQSZACIVSA-N 0 1 283.372 1.226 20 30 CDEDMN C=C(C)[C@@H](CO)[N@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001588535631 983589998 /nfs/dbraw/zinc/58/99/98/983589998.db2.gz PJFRBKKBZZOPTK-ZBFHGGJFSA-N 0 1 275.348 1.652 20 30 CDEDMN C=C(CCC(=O)[O-])C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC001588607037 983699815 /nfs/dbraw/zinc/69/98/15/983699815.db2.gz PZKAWINUONSRIC-GFCCVEGCSA-N 0 1 268.357 1.349 20 30 CDEDMN C=C(CCC(=O)[O-])C(=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC001588614586 983707970 /nfs/dbraw/zinc/70/79/70/983707970.db2.gz XUXGVCJJCYZTRC-NWDGAFQWSA-N 0 1 284.331 1.052 20 30 CDEDMN C=CC(C)(C)CNC(=O)N1CC[N@H+](CCC(=O)[O-])C[C@H]1C ZINC001588676927 983832309 /nfs/dbraw/zinc/83/23/09/983832309.db2.gz KTNYWKRKJCKTSO-GFCCVEGCSA-N 0 1 297.399 1.389 20 30 CDEDMN C=CCC(CC=C)C(=O)N1CC[N@H+](C)C[C@H](C(=O)[O-])C1 ZINC001588737367 984029576 /nfs/dbraw/zinc/02/95/76/984029576.db2.gz JNARAQASWXDLPG-ZDUSSCGKSA-N 0 1 280.368 1.230 20 30 CDEDMN C#CCCCCCC(=O)NCCNCc1cc(C)ncn1 ZINC001132404317 1163272387 /nfs/dbraw/zinc/27/23/87/1163272387.db2.gz ZYVXDSIEKRMIRA-UHFFFAOYSA-N 0 1 288.395 1.575 20 30 CDEDMN C#CCN1C[C@@H](NC(=O)CCc2cnccn2)CC[C@H]1C ZINC001132406056 1163272509 /nfs/dbraw/zinc/27/25/09/1163272509.db2.gz CBQNKGYUYDMTSS-HIFRSBDPSA-N 0 1 286.379 1.012 20 30 CDEDMN C=CC[N@@H+]1C[C@@H](NC(=O)CCCCC(N)=O)CC[C@@H]1C ZINC001132419965 1163275318 /nfs/dbraw/zinc/27/53/18/1163275318.db2.gz KVDAHVYQPJCXFX-STQMWFEESA-N 0 1 281.400 1.187 20 30 CDEDMN C=CCS(=O)(=O)CC[NH2+]Cc1ccc(/C=C\C(=O)[O-])o1 ZINC001588879228 984457365 /nfs/dbraw/zinc/45/73/65/984457365.db2.gz WWXXEYKCJQVBGR-WAYWQWQTSA-N 0 1 299.348 1.068 20 30 CDEDMN C#CCN1C[C@@H](NC(=O)CCc2nccs2)CC[C@H]1C ZINC001132509460 1163342023 /nfs/dbraw/zinc/34/20/23/1163342023.db2.gz VJJKYJWRWRVEIG-OLZOCXBDSA-N 0 1 291.420 1.678 20 30 CDEDMN C=CCCOCC(=O)N[C@@H]1CC[C@@H](C)N(CC#CC)C1 ZINC001132533023 1163355415 /nfs/dbraw/zinc/35/54/15/1163355415.db2.gz IUYPGKZCPNLRDN-HUUCEWRRSA-N 0 1 278.396 1.572 20 30 CDEDMN CC(C)(CCC#N)C[N@H+]1CCc2[nH]nc(C(=O)[O-])c2C1 ZINC001590654010 990344603 /nfs/dbraw/zinc/34/46/03/990344603.db2.gz IGOMUGMELWAOLL-UHFFFAOYSA-N 0 1 276.340 1.796 20 30 CDEDMN C[N@@H+](CC(=O)NC1(C#N)CCCCC1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001598386872 991613610 /nfs/dbraw/zinc/61/36/10/991613610.db2.gz MZBVCPBNEQNKAC-TXEJJXNPSA-N 0 1 293.367 1.124 20 30 CDEDMN C[N@H+]1CCN(Cc2cc(F)ccc2C#N)C[C@H](C(=O)[O-])C1 ZINC001598619084 993960925 /nfs/dbraw/zinc/96/09/25/993960925.db2.gz FFLAKROOBJXRPI-CYBMUJFWSA-N 0 1 291.326 1.146 20 30 CDEDMN C=C(C)C[C@H](C)C(=O)NCCNCc1cncs1 ZINC001132653067 1163416033 /nfs/dbraw/zinc/41/60/33/1163416033.db2.gz DIYJLCFMBPKBNO-NSHDSACASA-N 0 1 267.398 1.951 20 30 CDEDMN C=C(C)C[C@H](C)C(=O)NCCNCc1cnc(C)nc1 ZINC001132653995 1163416773 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ABTYPUHLNFGMBV-UHFFFAOYSA-N 0 1 286.162 1.683 20 30 CDEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C2=CCOCC2)[C@@H]1C ZINC000986169019 848329418 /nfs/dbraw/zinc/32/94/18/848329418.db2.gz IQBMXNLPDPUDMK-DGCLKSJQSA-N 0 1 284.787 1.665 20 30 CDEDMN CC#CCN1CCC[C@H]1CNC(=O)c1cc2n(n1)CCC2 ZINC001027922061 848348072 /nfs/dbraw/zinc/34/80/72/848348072.db2.gz ZOVLYZFMSVBWHO-AWEZNQCLSA-N 0 1 286.379 1.047 20 30 CDEDMN Cc1cc(CN[C@H]2CCN(C(=O)[C@H](C)C#N)[C@H]2C)ncn1 ZINC001074568124 848352901 /nfs/dbraw/zinc/35/29/01/848352901.db2.gz KNHGFHMJOAKOTK-OSMZGAPFSA-N 0 1 287.367 1.024 20 30 CDEDMN C[C@H]1CN(Cc2ccccn2)CCC1=NN1CCC1 ZINC000872396339 848366419 /nfs/dbraw/zinc/36/64/19/848366419.db2.gz DAPAKAFGGTUETG-ZDUSSCGKSA-N 0 1 258.369 1.985 20 30 CDEDMN C[C@@H](C#N)C(=O)N1CCC([N@@H+](C)Cc2cncn2C)CC1 ZINC000985338977 848371373 /nfs/dbraw/zinc/37/13/73/848371373.db2.gz OMIMKAWDPKVYBJ-LBPRGKRZSA-N 0 1 289.383 1.003 20 30 CDEDMN NC(CN1CCCCCC1)=NOCC(=O)NCC1CCC1 ZINC000111178934 848386616 /nfs/dbraw/zinc/38/66/16/848386616.db2.gz BBVJELGGYLTISX-UHFFFAOYSA-N 0 1 296.415 1.068 20 30 CDEDMN C#CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC(F)(F)C2)C1 ZINC001014665513 848391345 /nfs/dbraw/zinc/39/13/45/848391345.db2.gz NBRZAPYAZCOORP-NWDGAFQWSA-N 0 1 270.323 1.636 20 30 CDEDMN C#CCN1CC[C@@H](NC(=O)C[C@@H]2CCC(F)(F)C2)C1 ZINC001014665513 848391353 /nfs/dbraw/zinc/39/13/53/848391353.db2.gz NBRZAPYAZCOORP-NWDGAFQWSA-N 0 1 270.323 1.636 20 30 CDEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccnnc1 ZINC001039442717 848398641 /nfs/dbraw/zinc/39/86/41/848398641.db2.gz PTVXUFGAGNBVII-KGLIPLIRSA-N 0 1 272.352 1.342 20 30 CDEDMN C=CCN1CC[C@H](NC(=O)c2cc(OC)ccc2OC)C1 ZINC001016218763 848399845 /nfs/dbraw/zinc/39/98/45/848399845.db2.gz BOAJRARWVGIHJW-LBPRGKRZSA-N 0 1 290.363 1.694 20 30 CDEDMN C=C(C)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]nc1C ZINC001039414705 848434255 /nfs/dbraw/zinc/43/42/55/848434255.db2.gz KTUMBKJDDZRMMU-OLZOCXBDSA-N 0 1 289.383 1.368 20 30 CDEDMN C#CCCN1CC(CNC(=O)c2cccc3c[nH]nc32)C1 ZINC001031890193 848447023 /nfs/dbraw/zinc/44/70/23/848447023.db2.gz IDKFEFMUENTLDO-UHFFFAOYSA-N 0 1 282.347 1.248 20 30 CDEDMN C=CCN1CC[C@@H](N(C)C(=O)c2coc(C3CC3)n2)C1 ZINC001033482033 848448501 /nfs/dbraw/zinc/44/85/01/848448501.db2.gz HDVYGGOWOQUTNN-GFCCVEGCSA-N 0 1 275.352 1.884 20 30 CDEDMN C=C(C)CN1CC(CNC(=O)c2ccncc2CC)C1 ZINC001031796689 848463783 /nfs/dbraw/zinc/46/37/83/848463783.db2.gz SLYBWEYXQQPELF-UHFFFAOYSA-N 0 1 273.380 1.882 20 30 CDEDMN C=CCN1CCC[C@H](NC(=O)[C@H]2CCCOC2)C1 ZINC001006882118 848487593 /nfs/dbraw/zinc/48/75/93/848487593.db2.gz OSAOUYLZAIZJQS-STQMWFEESA-N 0 1 252.358 1.180 20 30 CDEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1 ZINC001033442850 848489020 /nfs/dbraw/zinc/48/90/20/848489020.db2.gz RTUAGZLLFDFWCC-SOUVJXGZSA-N 0 1 288.395 1.242 20 30 CDEDMN C=C[C@H](CO)N[C@H]1CCCN(c2ccc(C)cc2)C1=O ZINC000852714308 848492616 /nfs/dbraw/zinc/49/26/16/848492616.db2.gz HUUZXXCSHGXKBO-HIFRSBDPSA-N 0 1 274.364 1.627 20 30 CDEDMN C#CCOc1cccc(Cl)c1CNCC[C@H](O)COC ZINC000778171846 848503667 /nfs/dbraw/zinc/50/36/67/848503667.db2.gz SIBMMLMLPDYYTD-LBPRGKRZSA-N 0 1 297.782 1.839 20 30 CDEDMN Cc1ccc2cc(C(=O)N[C@@H]3CNC[C@H]3C#N)[nH]c2c1 ZINC000846678637 848515619 /nfs/dbraw/zinc/51/56/19/848515619.db2.gz WGQFQVSYJYFIAE-BXUZGUMPSA-N 0 1 268.320 1.318 20 30 CDEDMN C[C@H](c1cccc(C#N)c1)N1CCN(C)[C@H](CO)C1 ZINC000931402969 848535149 /nfs/dbraw/zinc/53/51/49/848535149.db2.gz YRXXLOORBNWEKE-DOMZBBRYSA-N 0 1 259.353 1.228 20 30 CDEDMN C#CCCCC(=O)N(C)CCCN(C)C(=O)c1ccn[nH]1 ZINC001066891467 848550054 /nfs/dbraw/zinc/55/00/54/848550054.db2.gz PQSLUVSGXRPHKV-UHFFFAOYSA-N 0 1 290.367 1.134 20 30 CDEDMN C=C(Br)C[N@@H+]1C[C@@H](C)[C@H](CC(=O)[O-])C1 ZINC000722626260 848582015 /nfs/dbraw/zinc/58/20/15/848582015.db2.gz HOHLOYNEMCEOBV-VXNVDRBHSA-N 0 1 262.147 1.938 20 30 CDEDMN C=CCN1CC[C@]2(C1)CN(C(=O)C#CC1CC1)C[C@H](C)O2 ZINC001071164600 848586549 /nfs/dbraw/zinc/58/65/49/848586549.db2.gz QAPFJPUNCVGHRD-YOEHRIQHSA-N 0 1 288.391 1.278 20 30 CDEDMN C#CCN1CCC[C@H](NC(=O)Cc2ncccc2F)[C@@H]1C ZINC000993726609 848587726 /nfs/dbraw/zinc/58/77/26/848587726.db2.gz KEQBUECZLJYONM-JSGCOSHPSA-N 0 1 289.354 1.366 20 30 CDEDMN C#CCN1CC2(C1)CCN(C(=O)CC(C)(C)C)CC2 ZINC001035651349 848598362 /nfs/dbraw/zinc/59/83/62/848598362.db2.gz BGLDHHHEEAZUQZ-UHFFFAOYSA-N 0 1 262.397 1.980 20 30 CDEDMN C=CCN1CC[C@@H]2CCN(C(=O)c3oncc3C)C[C@H]21 ZINC001042292070 848600065 /nfs/dbraw/zinc/60/00/65/848600065.db2.gz LTRLNTBDPYLAGQ-CHWSQXEVSA-N 0 1 275.352 1.705 20 30 CDEDMN CC#CCN1CCC(C)(NC(=O)c2snnc2C)CC1 ZINC001045360548 848601863 /nfs/dbraw/zinc/60/18/63/848601863.db2.gz JYEKDQPVYSTMAY-UHFFFAOYSA-N 0 1 292.408 1.454 20 30 CDEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)C1CC1 ZINC001032805175 848611246 /nfs/dbraw/zinc/61/12/46/848611246.db2.gz ALVFICXZCVYFEV-QEJZJMRPSA-N 0 1 260.381 1.731 20 30 CDEDMN C=CCN1CC(CNC(=O)c2cccc3[nH]cnc32)C1 ZINC001032067903 848614801 /nfs/dbraw/zinc/61/48/01/848614801.db2.gz FFXSYYLKNYIUTB-UHFFFAOYSA-N 0 1 270.336 1.411 20 30 CDEDMN C=C(C)CN1CC[C@H](NC(=O)c2cccc(C)n2)C1 ZINC001010221112 848615445 /nfs/dbraw/zinc/61/54/45/848615445.db2.gz VEJWRGDIEJXDBL-ZDUSSCGKSA-N 0 1 259.353 1.770 20 30 CDEDMN C=CCN1CCCC[C@@H](NC(=O)c2cc(OC)ccn2)C1 ZINC001034345270 848626023 /nfs/dbraw/zinc/62/60/23/848626023.db2.gz PNYMBZSHCKMHIN-CYBMUJFWSA-N 0 1 289.379 1.861 20 30 CDEDMN C=C(C)CCN1CC(NC(=O)Cc2ccc(C)nc2)C1 ZINC001031392808 848627376 /nfs/dbraw/zinc/62/73/76/848627376.db2.gz XGOPEENGKVQFDN-UHFFFAOYSA-N 0 1 273.380 1.699 20 30 CDEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2cnns2)[C@@H]1C ZINC000986011616 848639965 /nfs/dbraw/zinc/63/99/65/848639965.db2.gz GSEPOQZHVJDJTF-RKDXNWHRSA-N 0 1 286.788 1.483 20 30 CDEDMN C=CCS(=O)(=O)CCNCc1cnc(C2CC2)s1 ZINC000782969015 848646568 /nfs/dbraw/zinc/64/65/68/848646568.db2.gz SPTDVTYSXYHPES-UHFFFAOYSA-N 0 1 286.422 1.711 20 30 CDEDMN CC#CCN1CC[C@@H]2CCN(C(=O)c3ccncc3C)C[C@@H]21 ZINC001042046052 848655254 /nfs/dbraw/zinc/65/52/54/848655254.db2.gz GYRKORZKASKXOQ-WBVHZDCISA-N 0 1 297.402 1.950 20 30 CDEDMN C#C[C@@H](C)NC(=O)c1cccc(Br)c1O ZINC000775388653 848658127 /nfs/dbraw/zinc/65/81/27/848658127.db2.gz XECLLPCYWZEIOT-SSDOTTSWSA-N 0 1 268.110 1.906 20 30 CDEDMN CC#CCN1C[C@@H]2CCN(C(=O)CCc3ccccn3)[C@@H]2C1 ZINC001076124855 848669791 /nfs/dbraw/zinc/66/97/91/848669791.db2.gz UGXFRINRJYVMJM-DOTOQJQBSA-N 0 1 297.402 1.570 20 30 CDEDMN C=C(C)CONC(=O)Cc1csc(NC(=O)C(C)C)n1 ZINC000846537084 848677263 /nfs/dbraw/zinc/67/72/63/848677263.db2.gz ACFQJHWGELREPU-UHFFFAOYSA-N 0 1 297.380 1.904 20 30 CDEDMN C#CCN1CCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1CC ZINC001028042795 848695673 /nfs/dbraw/zinc/69/56/73/848695673.db2.gz XTGRKMFEIDLEFM-MJBXVCDLSA-N 0 1 264.369 1.015 20 30 CDEDMN C=CCN1CCC[C@@H](NC(=O)c2ccnnc2)[C@@H]1C ZINC000993866758 848704859 /nfs/dbraw/zinc/70/48/59/848704859.db2.gz XXZDODAIXLXVQT-WCQYABFASA-N 0 1 260.341 1.245 20 30 CDEDMN C#CCCN1CC[C@H]1CNC(=O)c1ccn2ccnc2c1 ZINC001038509724 848712535 /nfs/dbraw/zinc/71/25/35/848712535.db2.gz BZCOVEQBACJNDA-AWEZNQCLSA-N 0 1 282.347 1.162 20 30 CDEDMN C=CCN1CC[C@H](N(CC)C(=O)c2conc2C)C1 ZINC001033944145 848725661 /nfs/dbraw/zinc/72/56/61/848725661.db2.gz QRXPFXBAYKMGPE-LBPRGKRZSA-N 0 1 263.341 1.705 20 30 CDEDMN C=CCN1CCCN(C(=O)[C@@H](C)C2CCOCC2)CC1 ZINC000989811215 848740024 /nfs/dbraw/zinc/74/00/24/848740024.db2.gz JAYWZWDGNPTZMF-AWEZNQCLSA-N 0 1 280.412 1.769 20 30 CDEDMN CN(C)CC#CCNC(=O)CCC[C@H](O)c1ccccc1 ZINC000913523184 848756321 /nfs/dbraw/zinc/75/63/21/848756321.db2.gz PIBNGCGDLPDELV-INIZCTEOSA-N 0 1 288.391 1.572 20 30 CDEDMN CC(C)=CCN1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001010481719 848774333 /nfs/dbraw/zinc/77/43/33/848774333.db2.gz VMQVJFCYHAUTOM-CYBMUJFWSA-N 0 1 272.352 1.657 20 30 CDEDMN C=C(C)CCN1CCO[C@H](CNC(=O)C2CC=CC2)C1 ZINC001035323617 848782045 /nfs/dbraw/zinc/78/20/45/848782045.db2.gz NQMYFQMMYIMBRF-OAHLLOKOSA-N 0 1 278.396 1.736 20 30 CDEDMN C=C(Cl)CN[C@H]1CCN(C(=O)[C@@H](C)C2CC2)C1 ZINC001018673659 848782358 /nfs/dbraw/zinc/78/23/58/848782358.db2.gz QUQRSLMBOIAEDJ-JQWIXIFHSA-N 0 1 256.777 1.976 20 30 CDEDMN CC#CCN1CC[C@@](C)(NC(=O)c2ccsn2)C1 ZINC001046412011 848783031 /nfs/dbraw/zinc/78/30/31/848783031.db2.gz FTBRKJYMLNSFNS-CYBMUJFWSA-N 0 1 263.366 1.361 20 30 CDEDMN C#CCN1CC=C(CNC(=O)c2cc(CC)nnc2C)CC1 ZINC001001002245 848795294 /nfs/dbraw/zinc/79/52/94/848795294.db2.gz RCYFYEWYOXEYBM-UHFFFAOYSA-N 0 1 298.390 1.343 20 30 CDEDMN C=CC[N@H+]([C@H](C)COC)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000852358685 848806156 /nfs/dbraw/zinc/80/61/56/848806156.db2.gz YHZWCBJFMJMPAL-UKRRQHHQSA-N 0 1 296.411 1.289 20 30 CDEDMN C=CCN([C@H](C)COC)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000852358685 848806158 /nfs/dbraw/zinc/80/61/58/848806158.db2.gz YHZWCBJFMJMPAL-UKRRQHHQSA-N 0 1 296.411 1.289 20 30 CDEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2cn(CC)cn2)C1 ZINC001033585611 848813175 /nfs/dbraw/zinc/81/31/75/848813175.db2.gz LFZBIKFTZJADEF-CYBMUJFWSA-N 0 1 274.368 1.073 20 30 CDEDMN C#CCN1CCC[C@@H]1CNC(=O)c1cccc2nccnc21 ZINC001028225118 848823969 /nfs/dbraw/zinc/82/39/69/848823969.db2.gz SZXHBGUTKKVYIM-CYBMUJFWSA-N 0 1 294.358 1.457 20 30 CDEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)C(F)F)[C@@H]1C ZINC000985837182 848831076 /nfs/dbraw/zinc/83/10/76/848831076.db2.gz JCLDLZHBHUKLIE-HTQZYQBOSA-N 0 1 252.692 1.583 20 30 CDEDMN C=CC[N@H+]1CC[C@]2(NC(=O)c3[nH]nc(C)c3[O-])CCC[C@H]12 ZINC000990264850 848832291 /nfs/dbraw/zinc/83/22/91/848832291.db2.gz IVNATFZUMIDCPP-XHDPSFHLSA-N 0 1 290.367 1.337 20 30 CDEDMN N#Cc1sc(N2CCc3cn[nH]c3C2)nc1Cl ZINC000804566339 848844769 /nfs/dbraw/zinc/84/47/69/848844769.db2.gz CLEWOCIDBIASEM-UHFFFAOYSA-N 0 1 265.729 1.954 20 30 CDEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001025822703 848846653 /nfs/dbraw/zinc/84/66/53/848846653.db2.gz YFYQAPKRSFUXME-JQOWZUPLSA-N 0 1 272.392 1.492 20 30 CDEDMN CC#CCN1CCC[C@H]1CNC(=O)c1cnn(CC)c1C ZINC001028223364 848850522 /nfs/dbraw/zinc/85/05/22/848850522.db2.gz GYPOGAGCMFRWDU-AWEZNQCLSA-N 0 1 288.395 1.429 20 30 CDEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)c1cnn2c1CCC2 ZINC001049510368 848859758 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294.420 1.418 20 30 CDEDMN C=CCN1CC[C@H](NC(=O)C(C)(CC)CC)[C@@H](O)C1 ZINC001100118278 967432443 /nfs/dbraw/zinc/43/24/43/967432443.db2.gz YDIVLDOJXCDDNI-STQMWFEESA-N 0 1 268.401 1.550 20 30 CDEDMN C=CCN1CC[C@@H](NC(=O)C2(CC=C)CCCC2)[C@H](O)C1 ZINC001100146319 967486235 /nfs/dbraw/zinc/48/62/35/967486235.db2.gz ZJHZFWJRJUDWTA-HUUCEWRRSA-N 0 1 292.423 1.860 20 30 CDEDMN CCN(C(=O)c1ncc(Br)cc1O)[C@@H](C)C#N ZINC001454026337 968416180 /nfs/dbraw/zinc/41/61/80/968416180.db2.gz FDOXQLWPPVYHBI-ZETCQYMHSA-N 0 1 298.140 1.924 20 30 CDEDMN N#Cc1ccc2nc(NC(=O)c3coc(C(N)=O)c3)[nH]c2c1 ZINC001454325485 968466585 /nfs/dbraw/zinc/46/65/85/968466585.db2.gz FAMANRALURHLIS-UHFFFAOYSA-N 0 1 295.258 1.379 20 30 CDEDMN C=CCN(C)c1nnc(-c2nc(C3CC3)n[nH]2)n1CC1CC1 ZINC001527204228 968661135 /nfs/dbraw/zinc/66/11/35/968661135.db2.gz JVGBWLRARDGKRZ-UHFFFAOYSA-N 0 1 299.382 1.973 20 30 CDEDMN C=CCN(C)c1nnc(-c2nnc(C3CC3)[nH]2)n1CC1CC1 ZINC001527204228 968661139 /nfs/dbraw/zinc/66/11/39/968661139.db2.gz 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ZINC001374923077 974180568 /nfs/dbraw/zinc/18/05/68/974180568.db2.gz VKNKRJPQWJYBFJ-LBPRGKRZSA-N 0 1 281.787 1.861 20 30 CDEDMN Cc1oncc1CNC1(CNC(=O)[C@H](C)C#N)CCC1 ZINC001376719850 974742818 /nfs/dbraw/zinc/74/28/18/974742818.db2.gz GUUWSKORYFXWKJ-SNVBAGLBSA-N 0 1 276.340 1.271 20 30 CDEDMN COc1ccc(CN(C)CCNC(=O)[C@@H](C)C#N)cc1F ZINC001377126303 974894183 /nfs/dbraw/zinc/89/41/83/974894183.db2.gz BHFRVUPCCXTTMW-NSHDSACASA-N 0 1 293.342 1.542 20 30 CDEDMN C=C(Cl)CN[C@H](C)[C@@H]1CN(C(=O)C2CCC2)CCO1 ZINC001506834978 975230977 /nfs/dbraw/zinc/23/09/77/975230977.db2.gz NPPNJPYKECRNFK-YPMHNXCESA-N 0 1 286.803 1.745 20 30 CDEDMN C=C(Cl)CNC[C@H](NC(=O)CCOC)C(C)(C)C ZINC001507872159 975553866 /nfs/dbraw/zinc/55/38/66/975553866.db2.gz NDFZYAIBEYHRPV-NSHDSACASA-N 0 1 276.808 1.896 20 30 CDEDMN CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC001591711249 975591519 /nfs/dbraw/zinc/59/15/19/975591519.db2.gz DPNQQJWSJHPWOE-STQMWFEESA-N 0 1 298.383 1.241 20 30 CDEDMN C[C@H](C#N)C(=O)NC[C@H]1C[C@H](NCc2cscn2)C1 ZINC001397631832 975664008 /nfs/dbraw/zinc/66/40/08/975664008.db2.gz XOGGTZDWNKAQJR-GMTAPVOTSA-N 0 1 278.381 1.287 20 30 CDEDMN C=C(Cl)CNC[C@@H](O)CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001379242624 975725567 /nfs/dbraw/zinc/72/55/67/975725567.db2.gz PXZZSOKZLXBMDG-VXGBXAGGSA-N 0 1 288.819 1.632 20 30 CDEDMN C=C(Cl)CN[C@@H](C)CN(C)C(=O)Cc1c(C)n[nH]c1C ZINC001379325783 975767826 /nfs/dbraw/zinc/76/78/26/975767826.db2.gz LKIYNVVEHXYDQH-JTQLQIEISA-N 0 1 298.818 1.758 20 30 CDEDMN C=C(Cl)CNC[C@H](NC(=O)c1ccnnc1)C1CC1 ZINC001379896897 976119422 /nfs/dbraw/zinc/11/94/22/976119422.db2.gz LQHTYJAZZORLFQ-LBPRGKRZSA-N 0 1 280.759 1.327 20 30 CDEDMN C=C(Cl)CN[C@@H](CNC(=O)Cn1cccn1)C1CC1 ZINC001402274582 976214583 /nfs/dbraw/zinc/21/45/83/976214583.db2.gz YOQLWRPJWFWAIO-LBPRGKRZSA-N 0 1 282.775 1.120 20 30 CDEDMN C=C(Cl)CNC[C@H](C)NC(=O)Cc1c(C)nn(C)c1C ZINC001406522717 976231863 /nfs/dbraw/zinc/23/18/63/976231863.db2.gz ZCTCDOMCLRKXLE-JTQLQIEISA-N 0 1 298.818 1.426 20 30 CDEDMN C=C(Cl)CNC[C@H](NC(=O)c1cscn1)C1CC1 ZINC001406766563 976399007 /nfs/dbraw/zinc/39/90/07/976399007.db2.gz YCCBEDJSYRWEKZ-JTQLQIEISA-N 0 1 285.800 1.994 20 30 CDEDMN COC[C@@]1(C(=O)[O-])CCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000692393870 976445216 /nfs/dbraw/zinc/44/52/16/976445216.db2.gz MHFDPZSEOOSDQF-CQSZACIVSA-N 0 1 275.308 1.019 20 30 CDEDMN COC[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000692393870 976445223 /nfs/dbraw/zinc/44/52/23/976445223.db2.gz MHFDPZSEOOSDQF-CQSZACIVSA-N 0 1 275.308 1.019 20 30 CDEDMN C=C(Cl)CNC[C@@H](C)NC(=O)CCc1ccn(C)n1 ZINC001392480579 977457194 /nfs/dbraw/zinc/45/71/94/977457194.db2.gz PHBLCGAHXSRHJO-LLVKDONJSA-N 0 1 284.791 1.200 20 30 CDEDMN C=C(Cl)CNC[C@H]1CN(C(=O)c2cc(C)co2)CCO1 ZINC001393576669 977841158 /nfs/dbraw/zinc/84/11/58/977841158.db2.gz SFFOSGKTZNZJEM-LBPRGKRZSA-N 0 1 298.770 1.771 20 30 CDEDMN C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CCO)C2)CCC1 ZINC001132283439 1163222664 /nfs/dbraw/zinc/22/26/64/1163222664.db2.gz 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C=C(Br)C[N@@H+]1CCSC[C@H](C(=O)[O-])C1 ZINC001588528603 983577109 /nfs/dbraw/zinc/57/71/09/983577109.db2.gz AHOAFCMMUMDIAV-MRVPVSSYSA-N 0 1 280.187 1.645 20 30 CDEDMN C=C(CCC(=O)[O-])C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC001588622735 983724866 /nfs/dbraw/zinc/72/48/66/983724866.db2.gz DMJMVRLVEZQCDP-VXGBXAGGSA-N 0 1 266.341 1.150 20 30 CDEDMN C=C[C@H](C(=O)[O-])[N@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC001588664253 983799601 /nfs/dbraw/zinc/79/96/01/983799601.db2.gz PBAKJEXNOOGWBW-TZMCWYRMSA-N 0 1 288.347 1.611 20 30 CDEDMN C#CCCCCCC(=O)NCCNCc1cnnn1CC ZINC001132398871 1163266477 /nfs/dbraw/zinc/26/64/77/1163266477.db2.gz SIFPCRPRLUEDMS-UHFFFAOYSA-N 0 1 291.399 1.088 20 30 CDEDMN C=C[C@@H]([NH2+]CC(=O)Nc1c(C)cc(C)cc1C)C(=O)[O-] ZINC001588696843 983904019 /nfs/dbraw/zinc/90/40/19/983904019.db2.gz RSOPWLXAYMEMDJ-GFCCVEGCSA-N 0 1 276.336 1.779 20 30 CDEDMN C=CC[C@H](C(=O)[O-])[N@H+]1CC[C@@H](c2noc(C)n2)C1 ZINC001588729240 983988141 /nfs/dbraw/zinc/98/81/41/983988141.db2.gz 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CDEDMN CCN(CCNC(=O)[C@@H](C)C#N)Cc1n[nH]c(C(C)C)n1 ZINC001390886105 976586242 /nfs/dbraw/zinc/58/62/42/976586242.db2.gz IKGUOPANBAEXQZ-NSHDSACASA-N 0 1 292.387 1.026 20 30 CDEDMN C=C(Cl)CN[C@@H](CC)CNC(=O)c1nn(CC)nc1C ZINC001391754535 977084772 /nfs/dbraw/zinc/08/47/72/977084772.db2.gz KWGRNSSSLXNFBQ-NSHDSACASA-N 0 1 299.806 1.457 20 30 CDEDMN N#Cc1cccc2c1CCN2S(=O)(=O)c1ncc[nH]1 ZINC001414293386 977150494 /nfs/dbraw/zinc/15/04/94/977150494.db2.gz MJSPPVRCAUKZNL-UHFFFAOYSA-N 0 1 274.305 1.033 20 30 CDEDMN C=C(Cl)CN[C@H](C)CN(C)C(=O)c1cncn1C ZINC001382103866 977166876 /nfs/dbraw/zinc/16/68/76/977166876.db2.gz SYKBYKYVOXZEAT-SNVBAGLBSA-N 0 1 270.764 1.223 20 30 CDEDMN CO[C@]1(C(=O)[O-])CC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000703784301 977202675 /nfs/dbraw/zinc/20/26/75/977202675.db2.gz QYOLWQYFJRBPLK-XHDPSFHLSA-N 0 1 274.320 1.795 20 30 CDEDMN C=C(Cl)CN[C@@H](C)CN(C)C(=O)c1cccc(=O)n1C ZINC001394526343 978192299 /nfs/dbraw/zinc/19/22/99/978192299.db2.gz METRBDZGROZUBT-NSHDSACASA-N 0 1 297.786 1.188 20 30 CDEDMN C[C@H](CCC#N)C[NH+]1CCN(C(C)(C)C(=O)[O-])CC1 ZINC001592471456 978232288 /nfs/dbraw/zinc/23/22/88/978232288.db2.gz SCYFTHIWPJVEQD-GFCCVEGCSA-N 0 1 267.373 1.407 20 30 CDEDMN C#CCN1C[C@@H](NC(=O)COC2CCCCC2)CC[C@@H]1C ZINC001132148948 1163181309 /nfs/dbraw/zinc/18/13/09/1163181309.db2.gz CXLDCRVCAVJITB-GJZGRUSLSA-N 0 1 292.423 1.938 20 30 CDEDMN C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)N(CCOCCO)C1 ZINC001132228834 1163207887 /nfs/dbraw/zinc/20/78/87/1163207887.db2.gz WWENNBXFZHGUKR-ZIAGYGMSSA-N 0 1 298.427 1.177 20 30 CDEDMN C=C[C@H](C(=O)[O-])[N@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC001588663310 983794633 /nfs/dbraw/zinc/79/46/33/983794633.db2.gz DUWNDSMVZURNHH-VXGBXAGGSA-N 0 1 263.341 1.485 20 30 CDEDMN C=C[C@@H](CC)CC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)[O-])C1 ZINC001588691294 983880024 /nfs/dbraw/zinc/88/00/24/983880024.db2.gz XCOSYSIEEXCDKI-NWDGAFQWSA-N 0 1 268.357 1.064 20 30 CDEDMN C=CC[C@H](C(=O)[O-])[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC001588729081 983986058 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C=CCN(CC=C)C(=O)C[N@H+](C1CC1)C1(C(=O)[O-])CCC1 ZINC001588825531 984301370 /nfs/dbraw/zinc/30/13/70/984301370.db2.gz SLPJTZBOPIRZGG-UHFFFAOYSA-N 0 1 292.379 1.659 20 30 CDEDMN C=CCN(CC=C)C(=O)C[N@@H+](C1CC1)C1(C(=O)[O-])CCC1 ZINC001588825531 984301372 /nfs/dbraw/zinc/30/13/72/984301372.db2.gz SLPJTZBOPIRZGG-UHFFFAOYSA-N 0 1 292.379 1.659 20 30 CDEDMN C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)C1=O ZINC001588838862 984342201 /nfs/dbraw/zinc/34/22/01/984342201.db2.gz LGKQEGSCTNRPMJ-XJKCOSOUSA-N 0 1 292.379 1.350 20 30 CDEDMN C=CCN1CC[C@H]([N@@H+](C)[C@@H](CC(C)C)C(=O)[O-])C1=O ZINC001588839851 984350283 /nfs/dbraw/zinc/35/02/83/984350283.db2.gz WLYJTLXBSMXWOI-RYUDHWBXSA-N 0 1 268.357 1.204 20 30 CDEDMN C=CCN1CC[C@H]([N@H+](C)[C@@H](CC(C)C)C(=O)[O-])C1=O ZINC001588839851 984350285 /nfs/dbraw/zinc/35/02/85/984350285.db2.gz WLYJTLXBSMXWOI-RYUDHWBXSA-N 0 1 268.357 1.204 20 30 CDEDMN C#CC[N@H+]1C[C@H](NC(=O)CCOCCCOC)CC[C@H]1C ZINC001132419628 1163274543 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C=CCN1C[C@H](NC(=O)COc2cc(C)on2)CC[C@@H]1C ZINC001132116479 1163176755 /nfs/dbraw/zinc/17/67/55/1163176755.db2.gz QOUQYSXOZYBPFZ-WCQYABFASA-N 0 1 293.367 1.517 20 30 CDEDMN C=C[C@H](C)[C@@H](C)C(=O)NCCNCc1nccnc1C ZINC001132574189 1163384108 /nfs/dbraw/zinc/38/41/08/1163384108.db2.gz WXMHPTLTYUMKNI-NWDGAFQWSA-N 0 1 276.384 1.449 20 30 CDEDMN C=C(Cl)CNCCNC(=O)[C@H](CCC)OCC ZINC001132624700 1163402982 /nfs/dbraw/zinc/40/29/82/1163402982.db2.gz RLJKYPQRZRFDGA-NSHDSACASA-N 0 1 262.781 1.650 20 30 CDEDMN C=C(C)C[C@H](C)C(=O)NCCNCc1ccc(OC)nn1 ZINC001132653621 1163415681 /nfs/dbraw/zinc/41/56/81/1163415681.db2.gz PVXSNMXGPJHSIY-LBPRGKRZSA-N 0 1 292.383 1.293 20 30 CDEDMN C=C(C)C[C@H](C)C(=O)NCCNCc1ccnc(OC)n1 ZINC001132653931 1163416550 /nfs/dbraw/zinc/41/65/50/1163416550.db2.gz UZYQBKTUJZYORP-LBPRGKRZSA-N 0 1 292.383 1.293 20 30 CDEDMN COc1cc(C[N@H+]2CC[C@](OC)(C(=O)[O-])C2)ccc1C#N ZINC001599407376 997341179 /nfs/dbraw/zinc/34/11/79/997341179.db2.gz KPPPGZSXJRGDNX-OAHLLOKOSA-N 0 1 290.319 1.242 20 30 CDEDMN CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(C)c2)[C@](C)(C(=O)[O-])C1 ZINC001599130954 997942649 /nfs/dbraw/zinc/94/26/49/997942649.db2.gz BVDKJMWXVDQXMD-HOCLYGCPSA-N 0 1 288.347 1.931 20 30 CDEDMN C[C@H]1CC[N@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)CCO1 ZINC001594412528 999541810 /nfs/dbraw/zinc/54/18/10/999541810.db2.gz OLQPILIIABXFIM-FZMZJTMJSA-N 0 1 274.320 1.795 20 30 CDEDMN C[C@@H]1CN=C(NN=Cc2cc(O)cc(C(F)(F)F)c2)N1 ZINC000811646655 1163510489 /nfs/dbraw/zinc/51/04/89/1163510489.db2.gz GULMYFBXEAZHBI-SSDOTTSWSA-N 0 1 286.257 1.682 20 30 CDEDMN C=C[C@@H](CO)Nc1ccc2cc(C(=O)OCC)[nH]c2n1 ZINC001158814620 1163601748 /nfs/dbraw/zinc/60/17/48/1163601748.db2.gz KXUARUJROUUVQA-JTQLQIEISA-N 0 1 275.308 1.698 20 30 CDEDMN CC[C@H](C(=O)[O-])[N@@H+](CCC(=O)N(C)CCC#N)C1CC1 ZINC001573666565 1170725690 /nfs/dbraw/zinc/72/56/90/1170725690.db2.gz WHSBKHFRDNGVPG-GFCCVEGCSA-N 0 1 281.356 1.076 20 30 CDEDMN C#CCN(Cc1c[nH]nn1)Cc1cc(Cl)cc(C#N)c1 ZINC001574927995 1171052693 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ZINC000591901154 342654497 /nfs/dbraw/zinc/65/44/97/342654497.db2.gz QNQSBBVNQFBAPP-UHFFFAOYSA-N 0 1 299.403 1.774 20 30 CDEDMN CN(C)C(=O)c1ccccc1CN1CC[C@](O)(CC#N)C1 ZINC000592526606 342703333 /nfs/dbraw/zinc/70/33/33/342703333.db2.gz ZZIIWZWYKKVILS-MRXNPFEDSA-N 0 1 287.363 1.239 20 30 CDEDMN COC[C@]1(CO)CCN(Cc2ccc(F)c(C#N)c2)C1 ZINC000451934668 361878152 /nfs/dbraw/zinc/87/81/52/361878152.db2.gz VPWIOVNZQDRMAX-OAHLLOKOSA-N 0 1 278.327 1.528 20 30 CDEDMN C[C@H](Cc1ccc(C#N)cc1)C(=O)N=c1[nH]n(C)cc1C#N ZINC000593989356 342861032 /nfs/dbraw/zinc/86/10/32/342861032.db2.gz OQQXIPVSXUSIBZ-LLVKDONJSA-N 0 1 293.330 1.403 20 30 CDEDMN N#C[C@H]1CCC[C@H]1NC(=O)c1n[nH]nc1-c1ccccc1 ZINC000332724058 539048535 /nfs/dbraw/zinc/04/85/35/539048535.db2.gz PQNISRLOXSITAW-VXGBXAGGSA-N 0 1 281.319 1.894 20 30 CDEDMN N#Cc1ncccc1NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000594588514 342922203 /nfs/dbraw/zinc/92/22/03/342922203.db2.gz BRLODDLVWXQHAN-NSHDSACASA-N 0 1 270.296 1.535 20 30 CDEDMN 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C=C[C@@H](C(=O)[O-])[NH+]1CCN(CCC(C)(C)C)CC1 ZINC001588668928 983809101 /nfs/dbraw/zinc/80/91/01/983809101.db2.gz CZKVXCKHRODGOW-LBPRGKRZSA-N 0 1 254.374 1.679 20 30 CDEDMN C=C[C@H](C(=O)[O-])[N@@H+]1Cc2ccccc2[C@H](C(=O)OC)C1 ZINC001588670084 983818625 /nfs/dbraw/zinc/81/86/25/983818625.db2.gz VOKHADPPXRPQDO-CHWSQXEVSA-N 0 1 275.304 1.398 20 30 CDEDMN C=C[C@@H](COC)[NH2+]C1CCN(CCCC(=O)[O-])CC1 ZINC001588693310 983892737 /nfs/dbraw/zinc/89/27/37/983892737.db2.gz WAOZJMBMJOEMII-LBPRGKRZSA-N 0 1 270.373 1.106 20 30 CDEDMN C=C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O)C(=O)[O-] ZINC001588697568 983906414 /nfs/dbraw/zinc/90/64/14/983906414.db2.gz WGEJMJDOESBSLE-RYUDHWBXSA-N 0 1 294.738 1.674 20 30 CDEDMN C=CC[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC001588730047 983995800 /nfs/dbraw/zinc/99/58/00/983995800.db2.gz OYDPRQMTWFHFBS-DGCLKSJQSA-N 0 1 263.341 1.629 20 30 CDEDMN C=CC[C@H](C(=O)[O-])[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC001588730377 983998432 /nfs/dbraw/zinc/99/84/32/983998432.db2.gz RFGJVRUOMDYHKL-VHSXEESVSA-N 0 1 260.284 1.041 20 30 CDEDMN C=CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](CCC(=O)OC)C1 ZINC001588731120 984005467 /nfs/dbraw/zinc/00/54/67/984005467.db2.gz ZMWOPKJNGVZTDY-RYUDHWBXSA-N 0 1 269.341 1.681 20 30 CDEDMN C=CC[C@H]([NH2+][C@H](CCN(C)C)C(C)(C)C)C(=O)[O-] ZINC001588746076 984056447 /nfs/dbraw/zinc/05/64/47/984056447.db2.gz PBBDBMFMVVZGGU-NWDGAFQWSA-N 0 1 256.390 1.972 20 30 CDEDMN C=CCCC[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C(=O)[O-] ZINC001588788673 984192296 /nfs/dbraw/zinc/19/22/96/984192296.db2.gz JNVJILMUCXVKJM-RYUDHWBXSA-N 0 1 268.357 1.254 20 30 CDEDMN C=CC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001588822297 984288296 /nfs/dbraw/zinc/28/82/96/984288296.db2.gz FFCDQORWPMWFTA-CHWSQXEVSA-N 0 1 280.368 1.064 20 30 CDEDMN C=CC[N@@H+](C[C@@H]1CC(C(=O)[O-])=C(C)O1)[C@H](C)COC ZINC001588823882 984293377 /nfs/dbraw/zinc/29/33/77/984293377.db2.gz ACNDJLYGRVGWGH-PWSUYJOCSA-N 0 1 269.341 1.657 20 30 CDEDMN C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC001588837299 984333657 /nfs/dbraw/zinc/33/36/57/984333657.db2.gz XWFHOTIWYNJJFE-QWHCGFSZSA-N 0 1 278.352 1.032 20 30 CDEDMN C[C@H](C#N)OCC[NH2+]C(C)(C)c1cc(C(=O)[O-])on1 ZINC001589331659 986189894 /nfs/dbraw/zinc/18/98/94/986189894.db2.gz LFWIKAVSHWQGRY-MRVPVSSYSA-N 0 1 267.285 1.126 20 30 CDEDMN CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(CC(=O)[O-])CC1 ZINC001590961639 991060352 /nfs/dbraw/zinc/06/03/52/991060352.db2.gz UGXYVNJVXSWMGE-OAHLLOKOSA-N 0 1 295.383 1.228 20 30 CDEDMN C=C[C@H](CC)CC(=O)NCCNCc1cnnn1CC ZINC001132667124 1163431830 /nfs/dbraw/zinc/43/18/30/1163431830.db2.gz DFCUKXSBGUCVBY-GFCCVEGCSA-N 0 1 279.388 1.106 20 30 CDEDMN C[C@H](c1ccc(C#N)cc1)N1CC[N@@H+](C)C[C@H](C(=O)[O-])C1 ZINC001593685648 996117612 /nfs/dbraw/zinc/11/76/12/996117612.db2.gz CZHCYUPRDKQTKK-DOMZBBRYSA-N 0 1 287.363 1.567 20 30 CDEDMN C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001593685648 996117616 /nfs/dbraw/zinc/11/76/16/996117616.db2.gz CZHCYUPRDKQTKK-DOMZBBRYSA-N 0 1 287.363 1.567 20 30 CDEDMN C[C@H](c1ccc(C#N)cc1)[N@H+]1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001593685648 996117619 /nfs/dbraw/zinc/11/76/19/996117619.db2.gz CZHCYUPRDKQTKK-DOMZBBRYSA-N 0 1 287.363 1.567 20 30 CDEDMN COC[C@]1(C(=O)[O-])CCCC[N@@H+]1CC#Cc1ccccc1 ZINC001599188470 997074289 /nfs/dbraw/zinc/07/42/89/997074289.db2.gz OVRGRZVBANJJCB-KRWDZBQOSA-N 0 1 287.359 1.994 20 30 CDEDMN COC[C@]1(C(=O)[O-])CCCC[N@H+]1CC#Cc1ccccc1 ZINC001599188470 997074296 /nfs/dbraw/zinc/07/42/96/997074296.db2.gz OVRGRZVBANJJCB-KRWDZBQOSA-N 0 1 287.359 1.994 20 30 CDEDMN O=C(NCCNCC#Cc1ccccc1)[C@H]1CC[C@H](F)C1 ZINC001132953941 1163521799 /nfs/dbraw/zinc/52/17/99/1163521799.db2.gz JJHNCFJARGSAGL-HOTGVXAUSA-N 0 1 288.366 1.882 20 30 CDEDMN C=CCCCC(=O)NCCNCC(=O)Nc1nccs1 ZINC001133154590 1163586416 /nfs/dbraw/zinc/58/64/16/1163586416.db2.gz LMKVRDJFABIOSO-UHFFFAOYSA-N 0 1 296.396 1.144 20 30 CDEDMN C=CCC1(C(=O)NCCNCc2cc(C)ncn2)CCC1 ZINC001133395586 1163672057 /nfs/dbraw/zinc/67/20/57/1163672057.db2.gz RICPGLNZBLASST-UHFFFAOYSA-N 0 1 288.395 1.737 20 30 CDEDMN CC[N@@H+](C[C@@H](C)C#N)C[C@]1(O)CCCC[C@H]1CC(=O)[O-] ZINC001573769296 1170765957 /nfs/dbraw/zinc/76/59/57/1170765957.db2.gz KSVWBJOLWLUCSN-KCQAQPDRSA-N 0 1 282.384 1.864 20 30 CDEDMN C=C(CCC(=O)OC)C(=O)N1CCNC[C@@H]1CCC ZINC001574848586 1171024864 /nfs/dbraw/zinc/02/48/64/1171024864.db2.gz BCQPQGOBMWAOGC-LBPRGKRZSA-N 0 1 268.357 1.096 20 30 CDEDMN C#CCN(Cc1c[nH]nn1)C(=O)C(C)=Cc1ccco1 ZINC001574928784 1171052062 /nfs/dbraw/zinc/05/20/62/1171052062.db2.gz WWHDDZHYVFUTTC-DHZHZOJOSA-N 0 1 270.292 1.463 20 30 CDEDMN CC#CC[C@@H](N)C(=O)Nc1cc(Cl)cc(C(=O)OC)c1 ZINC001574972214 1171070061 /nfs/dbraw/zinc/07/00/61/1171070061.db2.gz KWKWOWCTJNKRDZ-GFCCVEGCSA-N 0 1 294.738 1.806 20 30 CDEDMN C=CCCC(=O)N1CC[C@@H]([NH2+]Cc2cnn[n-]2)[C@@H](CC)C1 ZINC001575085053 1171107551 /nfs/dbraw/zinc/10/75/51/1171107551.db2.gz DOSXOQBUZSIIIE-GXTWGEPZSA-N 0 1 291.399 1.488 20 30 CDEDMN C=CCCC(=O)NCCC1(C[NH2+]Cc2cnn[n-]2)CC1 ZINC001575087969 1171110512 /nfs/dbraw/zinc/11/05/12/1171110512.db2.gz RGWJKKONPYOBHP-UHFFFAOYSA-N 0 1 277.372 1.147 20 30 CDEDMN CC[C@H](C#N)C(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC001576176157 1171348534 /nfs/dbraw/zinc/34/85/34/1171348534.db2.gz RWDOKSZRLGXMJL-SECBINFHSA-N 0 1 255.281 1.960 20 30 CDEDMN CC[C@@H](C#N)NC(=O)[C@H](N)Cc1cc2ccccc2o1 ZINC001578221787 1171837079 /nfs/dbraw/zinc/83/70/79/1171837079.db2.gz PPOHVSFFCTWPOO-WCQYABFASA-N 0 1 271.320 1.721 20 30 CDEDMN N#CCN1CCN(Cc2cccc3n[nH]cc32)CC1 ZINC000600115766 341977966 /nfs/dbraw/zinc/97/79/66/341977966.db2.gz JSXCRHNKGPKTMB-UHFFFAOYSA-N 0 1 255.325 1.204 20 30 CDEDMN C=C[C@H](C(=O)OC)N1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000585756186 342454817 /nfs/dbraw/zinc/45/48/17/342454817.db2.gz YFZRHLFHPNWNII-JKSUJKDBSA-N 0 1 288.391 1.573 20 30 CDEDMN N#Cc1cccc(C(=O)Nc2ccc3[nH]nnc3c2)n1 ZINC000589442754 342505651 /nfs/dbraw/zinc/50/56/51/342505651.db2.gz VBPPVGRYBATRHE-UHFFFAOYSA-N 0 1 264.248 1.477 20 30 CDEDMN CC[C@H](C#N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000309803336 342550172 /nfs/dbraw/zinc/55/01/72/342550172.db2.gz KIGVNVVDSJKYKK-CABCVRRESA-N 0 1 271.364 1.927 20 30 CDEDMN CC1(C)CNCCN1S(=O)(=O)c1ccccc1CC#N ZINC000601338109 342555472 /nfs/dbraw/zinc/55/54/72/342555472.db2.gz NYDAZSVYZFVCQD-UHFFFAOYSA-N 0 1 293.392 1.125 20 30 CDEDMN CCC(CC)CN(CCC#N)S(=O)(=O)c1ncc[nH]1 ZINC000601337841 342555527 /nfs/dbraw/zinc/55/55/27/342555527.db2.gz IXIICZUDNSPGGT-UHFFFAOYSA-N 0 1 284.385 1.750 20 30 CDEDMN CN(Cc1n[nH]c(=O)o1)C(=O)CCc1ccc(C#N)cc1 ZINC000590546692 342575915 /nfs/dbraw/zinc/57/59/15/342575915.db2.gz NXJNGLDIFSIVEK-UHFFFAOYSA-N 0 1 286.291 1.238 20 30 CDEDMN N#CC1(CN[C@@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000439292785 361808827 /nfs/dbraw/zinc/80/88/27/361808827.db2.gz IVFMLCHFHBXVKK-GFCCVEGCSA-N 0 1 253.309 1.787 20 30 CDEDMN C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)CC(=O)[O-] ZINC000096573810 342063135 /nfs/dbraw/zinc/06/31/35/342063135.db2.gz AXILNSHKXUKDMO-ZDUSSCGKSA-N 0 1 279.336 1.171 20 30 CDEDMN C[C@H]1CN(C(=O)c2cc([O-])cc(C#N)c2)CC[N@@H+](C2CC2)C1 ZINC000590766671 342592975 /nfs/dbraw/zinc/59/29/75/342592975.db2.gz PFFQUVFPXAVSHB-GFCCVEGCSA-N 0 1 299.374 1.820 20 30 CDEDMN C[C@H]1CN(C(=O)c2cc([O-])cc(C#N)c2)CC[N@H+](C2CC2)C1 ZINC000590766671 342592976 /nfs/dbraw/zinc/59/29/76/342592976.db2.gz PFFQUVFPXAVSHB-GFCCVEGCSA-N 0 1 299.374 1.820 20 30 CDEDMN CC[C@@H](C)c1nc([C@@H](C)Nc2ccc(C#N)nn2)n[nH]1 ZINC000616998993 342600432 /nfs/dbraw/zinc/60/04/32/342600432.db2.gz KLTAKJFHUIYFIJ-RKDXNWHRSA-N 0 1 271.328 1.575 20 30 CDEDMN CCCNC(=O)CCCN1CCN([C@@H](C#N)C(C)C)CC1 ZINC000591020272 342614315 /nfs/dbraw/zinc/61/43/15/342614315.db2.gz ZKVALTXNEYHPJA-HNNXBMFYSA-N 0 1 294.443 1.459 20 30 CDEDMN C[C@@H](N=c1ccc(C(=O)N(C)C)n[nH]1)c1cccc(C#N)c1 ZINC000591148457 342618678 /nfs/dbraw/zinc/61/86/78/342618678.db2.gz ZWVSDXXBNLDWJX-LLVKDONJSA-N 0 1 295.346 1.645 20 30 CDEDMN C=CCC[C@H](O)CN1CCN(Cc2ccco2)CC1 ZINC000351635638 361826726 /nfs/dbraw/zinc/82/67/26/361826726.db2.gz XJOAAQRIILOVGZ-AWEZNQCLSA-N 0 1 264.369 1.724 20 30 CDEDMN CC[C@@H](NC(=O)N=c1[nH]n(C)cc1C#N)c1ccccc1 ZINC000591338160 342626512 /nfs/dbraw/zinc/62/65/12/342626512.db2.gz OMLXZUBSOKGHPM-CYBMUJFWSA-N 0 1 283.335 1.986 20 30 CDEDMN C[C@@H](NC(=O)N1CCNCC1)c1cccc(C#N)c1 ZINC000591354297 342627242 /nfs/dbraw/zinc/62/72/42/342627242.db2.gz CWXDTTWRDCPSJK-LLVKDONJSA-N 0 1 258.325 1.234 20 30 CDEDMN CC[C@@H]1CN(C(=O)N=c2[nH]n(C)cc2C#N)C[C@@H](CC)O1 ZINC000591483835 342633600 /nfs/dbraw/zinc/63/36/00/342633600.db2.gz FVQZMHRMAHTSHG-VXGBXAGGSA-N 0 1 291.355 1.135 20 30 CDEDMN COC(=O)[C@@H]1C[C@H](O)CN([C@H](C)c2cccc(C#N)c2)C1 ZINC000592209215 342678372 /nfs/dbraw/zinc/67/83/72/342678372.db2.gz WJCHKGYOSZNBSZ-DFBGVHRSSA-N 0 1 288.347 1.475 20 30 CDEDMN N#C[C@H]1CC[C@H](N2CCN3CC(F)(F)C[C@H]3C2)C1 ZINC000592130610 342667501 /nfs/dbraw/zinc/66/75/01/342667501.db2.gz HYWJTGJIZMHWTA-SRVKXCTJSA-N 0 1 255.312 1.704 20 30 CDEDMN N#CC[C@@]1(O)CCN(CCOCC2CCCC2)C1 ZINC000592155116 342670195 /nfs/dbraw/zinc/67/01/95/342670195.db2.gz YBSYFXYAPSWOKX-CQSZACIVSA-N 0 1 252.358 1.544 20 30 CDEDMN C[C@@H](CN1CCC(CCC#N)CC1)CS(C)(=O)=O ZINC000592135523 342672257 /nfs/dbraw/zinc/67/22/57/342672257.db2.gz OWEVCGKQAGNHDI-LBPRGKRZSA-N 0 1 272.414 1.683 20 30 CDEDMN C=CCCN1CCC(C(=O)OCC)([S@@](C)=O)CC1 ZINC000593032317 342755384 /nfs/dbraw/zinc/75/53/84/342755384.db2.gz XFQHFLVLVCXOEU-GOSISDBHSA-N 0 1 273.398 1.339 20 30 CDEDMN CC[C@@H](C#N)C(=O)N1CCC(c2cc(C)[nH]n2)CC1 ZINC000593583025 342814498 /nfs/dbraw/zinc/81/44/98/342814498.db2.gz GCXIOXLFOFICMU-NSHDSACASA-N 0 1 260.341 1.974 20 30 CDEDMN CC[C@@H](C#N)C(=O)N[C@@H](Cc1nc[nH]n1)c1ccccc1 ZINC000593618229 342815712 /nfs/dbraw/zinc/81/57/12/342815712.db2.gz HXXTUTGBLVWEJJ-AAEUAGOBSA-N 0 1 283.335 1.754 20 30 CDEDMN C[C@H]1CN(C(=O)N[C@@H]2CCc3nc[nH]c3C2)C[C@H]1C ZINC000329719515 361933391 /nfs/dbraw/zinc/93/33/91/361933391.db2.gz MMZCUIXUNVMIJX-OUAUKWLOSA-N 0 1 262.357 1.769 20 30 CDEDMN COc1ccccc1[C@H](N)CNC(=O)C1(C#N)CCCC1 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30 CDEDMN C=CCN1CC(CNC(=O)c2n[nH]c3c2CCCC3)C1 ZINC001031808980 777786760 /nfs/dbraw/zinc/78/67/60/777786760.db2.gz FJXBUNQVEFHRQT-UHFFFAOYSA-N 0 1 274.368 1.136 20 30 CDEDMN C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cnco1 ZINC001049622692 777787598 /nfs/dbraw/zinc/78/75/98/777787598.db2.gz YZNLBVWUQZTJDV-OLZOCXBDSA-N 0 1 275.352 1.930 20 30 CDEDMN C#CCN1CCC(C)(NC(=O)[C@@H]2C[C@H]2C(C)C)CC1 ZINC001045602776 777792922 /nfs/dbraw/zinc/79/29/22/777792922.db2.gz ACVZDXPAPLQSIB-UONOGXRCSA-N 0 1 262.397 1.882 20 30 CDEDMN C[C@H](F)CCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C#N)[nH]1 ZINC001032361855 777800038 /nfs/dbraw/zinc/80/00/38/777800038.db2.gz FSQJAVKSGKGOOU-DRZSPHRISA-N 0 1 290.342 1.533 20 30 CDEDMN C=C(Cl)CN[C@H]1C[C@H](C)N(C(=O)Cc2cnc(C)o2)C1 ZINC000988954847 777809642 /nfs/dbraw/zinc/80/96/42/777809642.db2.gz OXAJXSLRZRYUPK-JQWIXIFHSA-N 0 1 297.786 1.857 20 30 CDEDMN C#CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1CC ZINC001024566490 777810974 /nfs/dbraw/zinc/81/09/74/777810974.db2.gz QTXWYMNZGBAAJI-KFWWJZLASA-N 0 1 278.396 1.405 20 30 CDEDMN C#CCN1C[C@@H]2CCCN(C(=O)[C@@H](CC)SC)[C@@H]2C1 ZINC001050024153 777817651 /nfs/dbraw/zinc/81/76/51/777817651.db2.gz CNOHFJRAGSFQKN-BFHYXJOUSA-N 0 1 280.437 1.684 20 30 CDEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@@H]1Cc2ccncc2C1 ZINC001024652089 777818400 /nfs/dbraw/zinc/81/84/00/777818400.db2.gz HEUZCGQFJIUNEX-WBVHZDCISA-N 0 1 299.418 1.953 20 30 CDEDMN CC1(C)C[C@@]1(C#N)NC(=O)Cc1n[nH]c2c1CCCC2 ZINC000794162241 777829792 /nfs/dbraw/zinc/82/97/92/777829792.db2.gz RKMNDNWGDXSKQD-HNNXBMFYSA-N 0 1 272.352 1.639 20 30 CDEDMN C=CCN1CCCC[C@H](NC(=O)c2c(C)nn(C)c2F)C1 ZINC001034508309 777830056 /nfs/dbraw/zinc/83/00/56/777830056.db2.gz HHYDVSCPGMKLDW-LBPRGKRZSA-N 0 1 294.374 1.638 20 30 CDEDMN C=CCN1CC(CNC(=O)c2c(C)cc(C)[nH]c2=O)C1 ZINC001031884599 777831466 /nfs/dbraw/zinc/83/14/66/777831466.db2.gz GRXJABOVQRWLBZ-UHFFFAOYSA-N 0 1 275.352 1.252 20 30 CDEDMN C#CCN1CC[C@@H](N(CC)C(=O)c2ccc(C#C)cc2)C1 ZINC001033917696 777834590 /nfs/dbraw/zinc/83/45/90/777834590.db2.gz WOXYFGGTJCIGJI-QGZVFWFLSA-N 0 1 280.371 1.838 20 30 CDEDMN CC#CCN1CCC(NC(=O)[C@@H]2C[C@H]2c2cccnc2)CC1 ZINC001003672392 777843467 /nfs/dbraw/zinc/84/34/67/777843467.db2.gz QWJXMIWORXISNM-DLBZAZTESA-N 0 1 297.402 1.789 20 30 CDEDMN N#C[C@H]1CNC[C@H]1NC(=O)c1ccc(C2CC2)cc1 ZINC000852828401 777863473 /nfs/dbraw/zinc/86/34/73/777863473.db2.gz XAZOUKDNJSVTAZ-UONOGXRCSA-N 0 1 255.321 1.405 20 30 CDEDMN C=C(C)CN1CC[C@H](NC(=O)c2cscn2)C1 ZINC001010369367 777863823 /nfs/dbraw/zinc/86/38/23/777863823.db2.gz KEEGLQNBZJBWFR-JTQLQIEISA-N 0 1 251.355 1.523 20 30 CDEDMN C#CC[N@@H+]1CC[C@](C)(NC(=O)c2cncc3[nH]ccc32)C1 ZINC001046444398 777864904 /nfs/dbraw/zinc/86/49/04/777864904.db2.gz RPZLTJWXXVQSFF-INIZCTEOSA-N 0 1 282.347 1.390 20 30 CDEDMN C#CCN1CC[C@](C)(NC(=O)c2cncc3[nH]ccc32)C1 ZINC001046444398 777864905 /nfs/dbraw/zinc/86/49/05/777864905.db2.gz RPZLTJWXXVQSFF-INIZCTEOSA-N 0 1 282.347 1.390 20 30 CDEDMN C#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001046754313 777867334 /nfs/dbraw/zinc/86/73/34/777867334.db2.gz POQZGXUOMVVIHQ-DZGCQCFKSA-N 0 1 260.381 1.781 20 30 CDEDMN C#CCN1CC[C@@](C)(NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001046754313 777867337 /nfs/dbraw/zinc/86/73/37/777867337.db2.gz POQZGXUOMVVIHQ-DZGCQCFKSA-N 0 1 260.381 1.781 20 30 CDEDMN C#CCN1CC[C@@]2(NC(=O)c3coc(OC)n3)CCC[C@H]12 ZINC000992031564 777879877 /nfs/dbraw/zinc/87/98/77/777879877.db2.gz NXGIBBSPXNKQIZ-WFASDCNBSA-N 0 1 289.335 1.043 20 30 CDEDMN CC#CCN1CCC(NC(=O)[C@@H]2Cc3ccccc32)CC1 ZINC001003533207 777882835 /nfs/dbraw/zinc/88/28/35/777882835.db2.gz PMBDEVQBEUKVAJ-QGZVFWFLSA-N 0 1 282.387 1.930 20 30 CDEDMN COC1(OC)CCOC[C@@H]1NCc1ccc(C#N)c(C)c1 ZINC000931676954 777888652 /nfs/dbraw/zinc/88/86/52/777888652.db2.gz ZGPMPSNFPJFYHL-HNNXBMFYSA-N 0 1 290.363 1.734 20 30 CDEDMN CC#CCN1CC[C@H](NC(=O)[C@H]2[C@H]3[C@@H]2[C@@H]2CC[C@H]3C2)C1 ZINC001016376370 777891949 /nfs/dbraw/zinc/89/19/49/777891949.db2.gz UVVUVUNEXXUTNE-AYCBFJCHSA-N 0 1 272.392 1.492 20 30 CDEDMN C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cocn1 ZINC001049367679 777899137 /nfs/dbraw/zinc/89/91/37/777899137.db2.gz APZMHNMNUZHLAJ-UONOGXRCSA-N 0 1 275.352 1.930 20 30 CDEDMN N#CCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000352086808 777950440 /nfs/dbraw/zinc/95/04/40/777950440.db2.gz PLWSIUOOWMRAGQ-CYBMUJFWSA-N 0 1 252.277 1.270 20 30 CDEDMN N#CCN1CCC[C@H]1[C@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC000963263599 777992326 /nfs/dbraw/zinc/99/23/26/777992326.db2.gz MIDBQCJOCUGKMO-JSGCOSHPSA-N 0 1 287.367 1.250 20 30 CDEDMN C#CCN1CCCC[C@H]1CNC(=O)c1cccn2nccc12 ZINC001024531410 777995968 /nfs/dbraw/zinc/99/59/68/777995968.db2.gz RAEKOULBTVLCBC-AWEZNQCLSA-N 0 1 296.374 1.552 20 30 CDEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C1CCCC1 ZINC001026128876 778000654 /nfs/dbraw/zinc/00/06/54/778000654.db2.gz YMHKYRSXYIZADZ-RFBLXINOSA-N 0 1 272.392 1.492 20 30 CDEDMN C#C[C@H](N[C@@H](C)c1ccc(-n2cnnn2)cc1)[C@H]1CCCO1 ZINC000775575450 778029637 /nfs/dbraw/zinc/02/96/37/778029637.db2.gz XHTKQLDXQNLPHM-VBNZEHGJSA-N 0 1 297.362 1.494 20 30 CDEDMN C=C(Cl)CN[C@H]1CCN(C(=O)c2c(C)nnn2CC)C1 ZINC001018958066 778040837 /nfs/dbraw/zinc/04/08/37/778040837.db2.gz SFCNFLNMTKPKCH-NSHDSACASA-N 0 1 297.790 1.163 20 30 CDEDMN CCNc1ccccc1C=NNCC(C)(C)S(C)(=O)=O ZINC000872366425 778041217 /nfs/dbraw/zinc/04/12/17/778041217.db2.gz AEJKKKFTGMKCPS-UHFFFAOYSA-N 0 1 297.424 1.865 20 30 CDEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@](C)(O)C1CC1 ZINC001017489333 778056351 /nfs/dbraw/zinc/05/63/51/778056351.db2.gz WUSFGWDBPYXIAM-UXLLHSPISA-N 0 1 290.407 1.236 20 30 CDEDMN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C#CC(C)(C)C ZINC000837580355 778089425 /nfs/dbraw/zinc/08/94/25/778089425.db2.gz CXPHJJXWFYLUER-CQSZACIVSA-N 0 1 292.423 1.748 20 30 CDEDMN C=C1CCC(C(=O)NC[C@@H]2CCN2CCCO)CC1 ZINC001038666857 778102469 /nfs/dbraw/zinc/10/24/69/778102469.db2.gz JXRMVCKEFLKFMW-AWEZNQCLSA-N 0 1 266.385 1.306 20 30 CDEDMN C#CCCN1CC[C@H]1CNC(=O)c1cc(C)[nH]c1C ZINC001038761801 778115518 /nfs/dbraw/zinc/11/55/18/778115518.db2.gz LXAYKFUEMZKARE-ZDUSSCGKSA-N 0 1 259.353 1.459 20 30 CDEDMN C=CCCN1CC[C@H]1CNC(=O)c1nccc(C)n1 ZINC001038205372 778144931 /nfs/dbraw/zinc/14/49/31/778144931.db2.gz VXKUWAGOXBZUGB-LBPRGKRZSA-N 0 1 260.341 1.165 20 30 CDEDMN C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1cnn2cc(C)cnc12 ZINC001038756589 778155810 /nfs/dbraw/zinc/15/58/10/778155810.db2.gz FNTYBIVSQVCWAH-ZDUSSCGKSA-N 0 1 299.378 1.418 20 30 CDEDMN C=CCCN1CC[C@H]1CNC(=O)c1cnn2cc(C)cnc12 ZINC001038756589 778155822 /nfs/dbraw/zinc/15/58/22/778155822.db2.gz FNTYBIVSQVCWAH-ZDUSSCGKSA-N 0 1 299.378 1.418 20 30 CDEDMN CC#CCN1CCC[C@@H](NC(=O)c2cncc(C)c2)[C@@H]1C ZINC000993187646 778163597 /nfs/dbraw/zinc/16/35/97/778163597.db2.gz QDEIKCSKVWKADM-GOEBONIOSA-N 0 1 285.391 1.996 20 30 CDEDMN CC[C@@H](N[NH+]=C(C)c1cc([N+](=O)[O-])ccc1N)C(=O)[O-] ZINC000814937019 778188386 /nfs/dbraw/zinc/18/83/86/778188386.db2.gz RBOIGAMUSIDUHE-LLVKDONJSA-N 0 1 280.284 1.354 20 30 CDEDMN C#CCN(C1CC1)S(=O)(=O)c1ccccc1O ZINC000849387891 778198045 /nfs/dbraw/zinc/19/80/45/778198045.db2.gz YNRJKMHFPWNVDH-UHFFFAOYSA-N 0 1 251.307 1.179 20 30 CDEDMN C=CCCN1CC[C@H]1CNC(=O)c1cccnc1C ZINC001038646225 778199449 /nfs/dbraw/zinc/19/94/49/778199449.db2.gz LGFIYDUORUBYGG-ZDUSSCGKSA-N 0 1 259.353 1.770 20 30 CDEDMN N#Cc1cccc(-n2[nH]c3c(c2=O)CC2(CC3)OCCO2)c1 ZINC000887285207 778216813 /nfs/dbraw/zinc/21/68/13/778216813.db2.gz VUSXQSJGQZZDMD-CYBMUJFWSA-N 0 1 297.314 1.804 20 30 CDEDMN C#CCN1CCC[C@@H](CNC(=O)c2cncs2)C1 ZINC001023256077 778218648 /nfs/dbraw/zinc/21/86/48/778218648.db2.gz YUOZUPJDOOWUMB-NSHDSACASA-N 0 1 263.366 1.218 20 30 CDEDMN C=CCN1CC2(C1)CCN(C(=O)c1coc(CC)n1)CC2 ZINC001035689634 778219229 /nfs/dbraw/zinc/21/92/29/778219229.db2.gz AWKWHHYDDVZKKH-UHFFFAOYSA-N 0 1 289.379 1.961 20 30 CDEDMN C#CCCN1CC[C@@H](N(C)C(=O)c2nocc2C)C1 ZINC001033568155 778225693 /nfs/dbraw/zinc/22/56/93/778225693.db2.gz UWOLEUTZAFCHOU-GFCCVEGCSA-N 0 1 261.325 1.153 20 30 CDEDMN C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001024406814 778258079 /nfs/dbraw/zinc/25/80/79/778258079.db2.gz GRGSGOJXCKAHKH-ZDUSSCGKSA-N 0 1 289.379 1.948 20 30 CDEDMN C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ncccc1[O-] ZINC001024406814 778258102 /nfs/dbraw/zinc/25/81/02/778258102.db2.gz GRGSGOJXCKAHKH-ZDUSSCGKSA-N 0 1 289.379 1.948 20 30 CDEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCO[C@@H]1CC ZINC001025811526 778281515 /nfs/dbraw/zinc/28/15/15/778281515.db2.gz OKFJZHRDFZYAOX-LJIZCISZSA-N 0 1 290.407 1.261 20 30 CDEDMN CC#CCN1C[C@H](NC(=O)c2ncc[nH]2)CC[C@H]1C ZINC001071494034 778304420 /nfs/dbraw/zinc/30/44/20/778304420.db2.gz MZKBEIPIHLUAON-VXGBXAGGSA-N 0 1 260.341 1.016 20 30 CDEDMN C#CCCN1CC[C@H](NC(=O)c2coc(C(C)(C)C)n2)C1 ZINC001014391173 778311933 /nfs/dbraw/zinc/31/19/33/778311933.db2.gz NPKVVLCOTWWCQC-LBPRGKRZSA-N 0 1 289.379 1.800 20 30 CDEDMN C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001033795860 778333488 /nfs/dbraw/zinc/33/34/88/778333488.db2.gz OUXIXRKWWNXTLD-GFCCVEGCSA-N 0 1 292.383 1.536 20 30 CDEDMN C=C(C)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)C(F)F)C[C@@H](C)O2 ZINC001071116002 778334090 /nfs/dbraw/zinc/33/40/90/778334090.db2.gz HLFJCHCPYWIUFT-BXUZGUMPSA-N 0 1 288.338 1.519 20 30 CDEDMN C=CCCn1cc(C(=O)NC[C@H]2CCN2CCC)nn1 ZINC001038798783 778374167 /nfs/dbraw/zinc/37/41/67/778374167.db2.gz HJXVVBBHWDXLIT-GFCCVEGCSA-N 0 1 277.372 1.068 20 30 CDEDMN C#CCN1CCC(NC(=O)CCc2ccccc2)CC1 ZINC000048574307 778380219 /nfs/dbraw/zinc/38/02/19/778380219.db2.gz MJAZFBBASGPQCX-UHFFFAOYSA-N 0 1 270.376 1.833 20 30 CDEDMN C#CCN1CC[C@@H]2CCN(C(=O)c3ccccc3)C[C@@H]21 ZINC001041910674 778386872 /nfs/dbraw/zinc/38/68/72/778386872.db2.gz QJKSXCMAMLLWGX-ZBFHGGJFSA-N 0 1 268.360 1.856 20 30 CDEDMN N#Cc1ccc(N2CCN(Cc3cc[nH]c(=O)c3)CC2)cc1 ZINC000879586443 778390911 /nfs/dbraw/zinc/39/09/11/778390911.db2.gz DDXVYOSZIJQESM-UHFFFAOYSA-N 0 1 294.358 1.981 20 30 CDEDMN C#Cc1cncc(C(=O)N(C)C2CN(C[C@@H](C)CC)C2)c1 ZINC001043821414 778442244 /nfs/dbraw/zinc/44/22/44/778442244.db2.gz HBCPIPMQJTWPKM-ZDUSSCGKSA-N 0 1 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C=CCCCN1CCO[C@H](Cn2nc(C)nc2C)C1 ZINC000344591158 527198679 /nfs/dbraw/zinc/19/86/79/527198679.db2.gz JMVOMLYQZZLSAN-AWEZNQCLSA-N 0 1 264.373 1.562 20 30 CDEDMN CC1(C[NH+]=C([O-])N2CCn3c(nnc3C3CC3)C2)CC1 ZINC000330108891 527899840 /nfs/dbraw/zinc/89/98/40/527899840.db2.gz OINRRDJQYAPPNK-UHFFFAOYSA-N 0 1 275.356 1.685 20 30 CDEDMN Cc1n[nH]c(CCNC(=O)[C@H]2CCCSC2)n1 ZINC000329560405 538583216 /nfs/dbraw/zinc/58/32/16/538583216.db2.gz ITJJEZZORFYSAC-VIFPVBQESA-N 0 1 254.359 1.755 20 30 CDEDMN N#Cc1cccc([C@@H](C(=O)[O-])[N@H+]2CCC[C@H](CO)CC2)c1 ZINC001601119447 1174750039 /nfs/dbraw/zinc/75/00/39/1174750039.db2.gz QPUFBWSTLSLDBW-WFASDCNBSA-N 0 1 288.347 1.778 20 30 CDEDMN C#CCCN1CCN(c2ncnc3[nH]ccc32)CC1 ZINC000726967316 574529750 /nfs/dbraw/zinc/52/97/50/574529750.db2.gz NUYAAJNGXYBHGW-UHFFFAOYSA-N 0 1 255.325 1.103 20 30 CDEDMN CCN(CC)c1ccc(C=NN[C@@H](C)CO)cc1F ZINC000749815849 574548458 /nfs/dbraw/zinc/54/84/58/574548458.db2.gz KLXGKIFRRLLGGT-NSHDSACASA-N 0 1 267.348 1.976 20 30 CDEDMN C#Cc1ccc(C(=O)Nc2nc(-c3ccco3)n[nH]2)nc1 ZINC000728962701 574678408 /nfs/dbraw/zinc/67/84/08/574678408.db2.gz XTDXJEWTAUGGJO-UHFFFAOYSA-N 0 1 279.259 1.693 20 30 CDEDMN C=CCOC(=O)Cc1c(C)nc(-c2ncccn2)[nH]c1=O ZINC000729710371 574821622 /nfs/dbraw/zinc/82/16/22/574821622.db2.gz VKRQPQJBSIFBLB-UHFFFAOYSA-N 0 1 286.291 1.219 20 30 CDEDMN N#Cc1ccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)o1 ZINC000753928438 574982371 /nfs/dbraw/zinc/98/23/71/574982371.db2.gz KCXCCAUAENYRGZ-TXEJJXNPSA-N 0 1 257.297 1.345 20 30 CDEDMN C#CCN1CCC(C(=O)O[C@@H](C)C(=O)NCCCC)CC1 ZINC000772113138 575661830 /nfs/dbraw/zinc/66/18/30/575661830.db2.gz DOYNPEZKOKSAAH-ZDUSSCGKSA-N 0 1 294.395 1.180 20 30 CDEDMN CCN(CC)c1ccc(C=NNCCS(C)(=O)=O)cc1 ZINC000733204622 575106032 /nfs/dbraw/zinc/10/60/32/575106032.db2.gz WQFQUMDFQBTYLY-UHFFFAOYSA-N 0 1 297.424 1.501 20 30 CDEDMN CC(=NNCCS(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000733204608 575106097 /nfs/dbraw/zinc/10/60/97/575106097.db2.gz WAEHEJHGBJWXCJ-UHFFFAOYSA-N 0 1 283.397 1.111 20 30 CDEDMN C#CCN(CC#CC)CCC(=O)N1CCc2ccccc21 ZINC000743855154 576658711 /nfs/dbraw/zinc/65/87/11/576658711.db2.gz ZUVHUXBQAKJNNR-UHFFFAOYSA-N 0 1 280.371 1.924 20 30 CDEDMN CN(CCC#N)c1ccc(CN(C)[C@H]2CCNC2=O)cc1 ZINC000770378184 575443142 /nfs/dbraw/zinc/44/31/42/575443142.db2.gz DXTKPUIQMWAEPH-HNNXBMFYSA-N 0 1 286.379 1.357 20 30 CDEDMN CC#CCN1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735448843 575469225 /nfs/dbraw/zinc/46/92/25/575469225.db2.gz LMZSQAFAJBBWLP-UHFFFAOYSA-N 0 1 297.362 1.733 20 30 CDEDMN CCc1nn(C)cc1C=NNc1ccc(-n2cccn2)nn1 ZINC000770596307 575471639 /nfs/dbraw/zinc/47/16/39/575471639.db2.gz OXDRZZJDOVHGFY-UHFFFAOYSA-N 0 1 296.338 1.404 20 30 CDEDMN CC(=NNC[C@H](C)C#N)c1cccc(N2CCOCC2)c1 ZINC000771107762 575549790 /nfs/dbraw/zinc/54/97/90/575549790.db2.gz OZDZYXGZTLCIRY-CYBMUJFWSA-N 0 1 286.379 1.996 20 30 CDEDMN COC(=O)C1=NOC2(C1)CCN(CC1(C#N)CC1)CC2 ZINC000771785914 575610387 /nfs/dbraw/zinc/61/03/87/575610387.db2.gz SAGKENHATAKABR-UHFFFAOYSA-N 0 1 277.324 1.074 20 30 CDEDMN CCC(N=Nc1oc(C)nc1-c1nn[nH]n1)[C@@H]1CCOC1 ZINC000736305826 575617777 /nfs/dbraw/zinc/61/77/77/575617777.db2.gz XCJWIXWPKBMESX-MRVPVSSYSA-N 0 1 291.315 1.378 20 30 CDEDMN C#C[C@H](NC(=O)c1nnc2ccccc2c1O)[C@@H]1CCCO1 ZINC000772882257 575762572 /nfs/dbraw/zinc/76/25/72/575762572.db2.gz URIQNPPCWXQFOU-AAEUAGOBSA-N 0 1 297.314 1.246 20 30 CDEDMN C[C@@H](NCCNC(=O)C1N=CC=CC1=O)c1ccco1 ZINC000772985939 575772637 /nfs/dbraw/zinc/77/26/37/575772637.db2.gz VAHBOWZWIJMQHP-WBNXYMAISA-N 0 1 275.308 1.457 20 30 CDEDMN C[N@@H+](C[C@@H]1CCCO1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737414300 575958978 /nfs/dbraw/zinc/95/89/78/575958978.db2.gz ZSAZSTQBKDQIQY-UONOGXRCSA-N 0 1 274.320 1.795 20 30 CDEDMN CN(CCCOc1ccc(C#N)cc1)[C@H]1CCN(C)C1=O ZINC000738331375 576060036 /nfs/dbraw/zinc/06/00/36/576060036.db2.gz JZNYJCFORGCZTI-HNNXBMFYSA-N 0 1 287.363 1.490 20 30 CDEDMN C#CCCCN1CCN(C(=O)CC(C)(C)C)CC1 ZINC000766896384 576143817 /nfs/dbraw/zinc/14/38/17/576143817.db2.gz NGHRKDSFEXPJFM-UHFFFAOYSA-N 0 1 250.386 1.980 20 30 CDEDMN CS(=O)(=O)NN=Cc1cc(Cl)cc(F)c1O ZINC000768367033 576275833 /nfs/dbraw/zinc/27/58/33/576275833.db2.gz MADVBCMZDQZRKC-UHFFFAOYSA-N 0 1 266.681 1.068 20 30 CDEDMN CC(=NNC1=NC[C@H](C)N1)c1csc(C(C)C)n1 ZINC000768784861 576307722 /nfs/dbraw/zinc/30/77/22/576307722.db2.gz VHFHOSQEJATFCR-QMMMGPOBSA-N 0 1 265.386 1.928 20 30 CDEDMN CC#CCCOC(=O)CCNC(=O)c1n[nH]c2ccccc21 ZINC000760282678 576472579 /nfs/dbraw/zinc/47/25/79/576472579.db2.gz BEYIANMYANIQAG-UHFFFAOYSA-N 0 1 299.330 1.639 20 30 CDEDMN C#CCCN1CCN(Cc2nc3ccc(OC)nc3[nH]2)CC1 ZINC000760859844 576516904 /nfs/dbraw/zinc/51/69/04/576516904.db2.gz CCQRMCUWZKFOMR-UHFFFAOYSA-N 0 1 299.378 1.107 20 30 CDEDMN C[C@@H]1CN(CC(=O)N(C)C2(C#N)CCCCC2)CCN1C ZINC000761079323 576544009 /nfs/dbraw/zinc/54/40/09/576544009.db2.gz QQFQVFBEALGKIQ-CQSZACIVSA-N 0 1 292.427 1.307 20 30 CDEDMN CCn1cc(C=NNc2ccc(-n3ccnc3)nn2)cn1 ZINC000761861516 576599052 /nfs/dbraw/zinc/59/90/52/576599052.db2.gz ZNMQSFJMWUSWGH-UHFFFAOYSA-N 0 1 282.311 1.325 20 30 CDEDMN C[C@@H]1CC(=NC(=O)c2ccn(-c3ccccc3)n2)NO1 ZINC000763261345 576727204 /nfs/dbraw/zinc/72/72/04/576727204.db2.gz QYDDLKJCQQSOTR-SNVBAGLBSA-N 0 1 270.292 1.724 20 30 CDEDMN C#CCOCCN[C@@H](COC)c1ccc(F)c(F)c1 ZINC000753770988 576858706 /nfs/dbraw/zinc/85/87/06/576858706.db2.gz UDYQCNKHANSNGV-AWEZNQCLSA-N 0 1 269.291 1.892 20 30 CDEDMN C[C@H](C#N)CNC(=O)CSc1n[nH]c(=S)s1 ZINC000747222539 576863157 /nfs/dbraw/zinc/86/31/57/576863157.db2.gz DGBSWGBBMDGJEI-RXMQYKEDSA-N 0 1 274.396 1.195 20 30 CDEDMN Fc1ccc2c(c1)C(=NNC1=N[C@@H]3CCCC[C@@H]3N1)CO2 ZINC000753931501 576866756 /nfs/dbraw/zinc/86/67/56/576866756.db2.gz ZLJPWSZIGWSWKE-TXEJJXNPSA-N 0 1 288.326 1.782 20 30 CDEDMN C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1c[nH]c2ncccc12 ZINC000753933644 576866903 /nfs/dbraw/zinc/86/69/03/576866903.db2.gz FFEUHYHXTJGMAW-CHWSQXEVSA-N 0 1 282.351 1.757 20 30 CDEDMN C#CCOc1ccc(C(=O)N2CCN(CC)[C@@H](C)C2)cc1 ZINC000754198812 576884777 /nfs/dbraw/zinc/88/47/77/576884777.db2.gz ZVLDXLWGUMKNJE-AWEZNQCLSA-N 0 1 286.375 1.865 20 30 CDEDMN N#Cc1ccc(O)c(NC(=O)CCN2CCCC2=O)c1 ZINC000748002983 576892204 /nfs/dbraw/zinc/89/22/04/576892204.db2.gz VVGWKEXMEQNYBB-UHFFFAOYSA-N 0 1 273.292 1.215 20 30 CDEDMN N#Cc1ccc(O)c(NC(=O)CCCn2cncn2)c1 ZINC000748002186 576892233 /nfs/dbraw/zinc/89/22/33/576892233.db2.gz GQJIGLYYJMKTES-UHFFFAOYSA-N 0 1 271.280 1.274 20 30 CDEDMN COc1ccc2c(c1)OCC2=NNc1ncnc2nc[nH]c21 ZINC000749158521 576937373 /nfs/dbraw/zinc/93/73/73/576937373.db2.gz SWXUQJTZJJSFOL-UHFFFAOYSA-N 0 1 296.290 1.570 20 30 CDEDMN CN(C)c1nccc(N=NCc2cccc(F)c2O)n1 ZINC000755734155 576957905 /nfs/dbraw/zinc/95/79/05/576957905.db2.gz RSHKFJPLYLXWLK-UHFFFAOYSA-N 0 1 275.287 1.833 20 30 CDEDMN N#Cc1ccc(COC(=O)CCc2nc[nH]n2)c(F)c1 ZINC000756763565 577003381 /nfs/dbraw/zinc/00/33/81/577003381.db2.gz BULUWWPGYYFJGQ-UHFFFAOYSA-N 0 1 274.255 1.491 20 30 CDEDMN COC(=O)c1ccc(NN=Cc2cscn2)nc1 ZINC000758145578 577075002 /nfs/dbraw/zinc/07/50/02/577075002.db2.gz JYCFMOCFHHDYKP-UHFFFAOYSA-N 0 1 262.294 1.771 20 30 CDEDMN C[C@@H]1CN(C(=O)CCNC(O)=C2N=CC=CC2=O)C[C@H]1C ZINC000751968540 577079406 /nfs/dbraw/zinc/07/94/06/577079406.db2.gz OGTIZVXLNFIKOY-NYFCXMLFSA-N 0 1 291.351 1.017 20 30 CDEDMN C#CCNC(=S)N1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 ZINC000758219595 577084446 /nfs/dbraw/zinc/08/44/46/577084446.db2.gz XKXJQWNIVZYKSE-MELADBBJSA-N 0 1 295.452 1.068 20 30 CDEDMN CCN(C[C@H]1CCOC1)Cn1cccc(C#N)c1=O ZINC000758221872 577084683 /nfs/dbraw/zinc/08/46/83/577084683.db2.gz IEBMQUBYJRLYCP-GFCCVEGCSA-N 0 1 261.325 1.036 20 30 CDEDMN CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])C1 ZINC000819977058 597655128 /nfs/dbraw/zinc/65/51/28/597655128.db2.gz SXPMEAIZPDVTFO-WFASDCNBSA-N 0 1 295.383 1.085 20 30 CDEDMN C[C@H](C#N)Oc1ccc(C[N@@H+](C)[C@H](C)C(=O)[O-])cc1 ZINC000819873864 598130923 /nfs/dbraw/zinc/13/09/23/598130923.db2.gz DUESNWUCHNUXLW-GHMZBOCLSA-N 0 1 262.309 1.882 20 30 CDEDMN C[C@@H](C[N@@H+](C)CCC(=O)Nc1sccc1C#N)C(=O)[O-] ZINC000042705111 599980073 /nfs/dbraw/zinc/98/00/73/599980073.db2.gz XMFQFFCWXNUDNR-VIFPVBQESA-N 0 1 295.364 1.601 20 30 CDEDMN C#CC[N@@H+](CC)[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000825614199 601227964 /nfs/dbraw/zinc/22/79/64/601227964.db2.gz IPYGVPOGTNKWQB-LLVKDONJSA-N 0 1 292.360 1.507 20 30 CDEDMN C#CC[N@H+](CC)[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000825614199 601227965 /nfs/dbraw/zinc/22/79/65/601227965.db2.gz IPYGVPOGTNKWQB-LLVKDONJSA-N 0 1 292.360 1.507 20 30 CDEDMN C#CCNC(=O)C[N@@H+]1C[C@@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000825619284 601434756 /nfs/dbraw/zinc/43/47/56/601434756.db2.gz KBQKSRVZVXYJKY-KBPBESRZSA-N 0 1 292.379 1.091 20 30 CDEDMN N#Cc1ccc(OCC[N@H+](CC(=O)[O-])C2CC2)cc1 ZINC000037598147 601462559 /nfs/dbraw/zinc/46/25/59/601462559.db2.gz CKDRDNHQALBGAH-UHFFFAOYSA-N 0 1 260.293 1.486 20 30 CDEDMN CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CC(=O)[O-])C1CCCC1 ZINC000829642981 602331588 /nfs/dbraw/zinc/33/15/88/602331588.db2.gz RJTKGMRONFXDTC-LBPRGKRZSA-N 0 1 295.383 1.324 20 30 CDEDMN CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000829642981 602331592 /nfs/dbraw/zinc/33/15/92/602331592.db2.gz RJTKGMRONFXDTC-LBPRGKRZSA-N 0 1 295.383 1.324 20 30 CDEDMN Cn1cc(C[N@@H+](C)CC(=O)[O-])c(-c2ccc(C#N)cc2)n1 ZINC000820568825 605477417 /nfs/dbraw/zinc/47/74/17/605477417.db2.gz DDORNWLLSTWVEJ-UHFFFAOYSA-N 0 1 284.319 1.475 20 30 CDEDMN C#CCCCCCC(=O)N1CC[N@H+](CCC(=O)[O-])C[C@@H]1C ZINC000833361963 605632705 /nfs/dbraw/zinc/63/27/05/605632705.db2.gz UDHHHKYWPTUMAB-AWEZNQCLSA-N 0 1 294.395 1.578 20 30 CDEDMN C=C(C)CN(CC)C(=O)C[N@H+](C1CC1)C1(C(=O)[O-])CCC1 ZINC001602761735 1175391060 /nfs/dbraw/zinc/39/10/60/1175391060.db2.gz BEYPNUZQIOPYJF-UHFFFAOYSA-N 0 1 294.395 1.883 20 30 CDEDMN C=C(C)CN(CC)C(=O)C[N@@H+](C1CC1)C1(C(=O)[O-])CCC1 ZINC001602761735 1175391066 /nfs/dbraw/zinc/39/10/66/1175391066.db2.gz BEYPNUZQIOPYJF-UHFFFAOYSA-N 0 1 294.395 1.883 20 30 CDEDMN CSc1ccccc1NC(=O)N[C@H]1CNC[C@@H]1C#N ZINC000841007712 620922458 /nfs/dbraw/zinc/92/24/58/620922458.db2.gz SIGYIHOTOJKEAT-ONGXEEELSA-N 0 1 276.365 1.642 20 30 CDEDMN N#Cc1ccc(O)c(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)c1 ZINC000822833603 606295758 /nfs/dbraw/zinc/29/57/58/606295758.db2.gz SMQNIPWPMPOILA-UHFFFAOYSA-N 0 1 295.262 1.024 20 30 CDEDMN C#CC[N@@H+](Cc1ccc(-c2nnn[n-]2)o1)C1CCCC1 ZINC000823844912 608738282 /nfs/dbraw/zinc/73/82/82/608738282.db2.gz KAOFHQKIFNDYMB-UHFFFAOYSA-N 0 1 271.324 1.838 20 30 CDEDMN C#CC[N@H+](Cc1ccc(-c2nn[n-]n2)o1)C1CCCC1 ZINC000823844912 608738285 /nfs/dbraw/zinc/73/82/85/608738285.db2.gz KAOFHQKIFNDYMB-UHFFFAOYSA-N 0 1 271.324 1.838 20 30 CDEDMN C#CC[N@@H+](Cc1ccc(-c2nn[n-]n2)o1)C1CCCC1 ZINC000823844912 608738286 /nfs/dbraw/zinc/73/82/86/608738286.db2.gz KAOFHQKIFNDYMB-UHFFFAOYSA-N 0 1 271.324 1.838 20 30 CDEDMN C#CCCN1CCCN(C(=O)[C@H]2CC[C@@H](CC)O2)CC1 ZINC000981271344 613005211 /nfs/dbraw/zinc/00/52/11/613005211.db2.gz SUOQMAOZQRIQKU-HUUCEWRRSA-N 0 1 278.396 1.502 20 30 CDEDMN C#CCCN1CCCN(C(=O)c2cncc(CC)c2)CC1 ZINC000981622114 613006227 /nfs/dbraw/zinc/00/62/27/613006227.db2.gz OQLLGWWWDBZKFX-UHFFFAOYSA-N 0 1 285.391 1.815 20 30 CDEDMN C#CCCN1CCCN(C(=O)c2ccnc(C)c2)CC1 ZINC000982297385 613006338 /nfs/dbraw/zinc/00/63/38/613006338.db2.gz AAQDZEGYTULOJW-UHFFFAOYSA-N 0 1 271.364 1.561 20 30 CDEDMN C#CCN(C)[C@@H]1CCN(C(=O)CC2CC(F)(F)C2)C1 ZINC000971813172 613080234 /nfs/dbraw/zinc/08/02/34/613080234.db2.gz HKUUAQWKEMXVRK-GFCCVEGCSA-N 0 1 270.323 1.588 20 30 CDEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@H](OC)C2CCCC2)C1 ZINC000980281858 613084157 /nfs/dbraw/zinc/08/41/57/613084157.db2.gz SWSJVYIATRGWQQ-HUUCEWRRSA-N 0 1 278.396 1.358 20 30 CDEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2c3c[nH]nc3ccc2C)C1 ZINC000971825354 613084663 /nfs/dbraw/zinc/08/46/63/613084663.db2.gz WZRGMNCGDCTRCZ-CYBMUJFWSA-N 0 1 296.374 1.651 20 30 CDEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2cncc(CC)c2)C1 ZINC000971947979 613087526 /nfs/dbraw/zinc/08/75/26/613087526.db2.gz WYHDXPVLACDLSE-OAHLLOKOSA-N 0 1 271.364 1.424 20 30 CDEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2csc(Cl)n2)C1 ZINC000972678961 613088016 /nfs/dbraw/zinc/08/80/16/613088016.db2.gz 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C=C(C)C[N@H+]1CC[C@H](NC(=O)CCC(C)(C)C)[C@@H](O)C1 ZINC001100043146 967293760 /nfs/dbraw/zinc/29/37/60/967293760.db2.gz BYPIOXHRBJZPLZ-KBPBESRZSA-N 0 1 282.428 1.940 20 30 CDEDMN C#CC[N@@H+](CCC(=O)Nc1ccccc1Cl)CC(=O)[O-] ZINC000092482362 967596430 /nfs/dbraw/zinc/59/64/30/967596430.db2.gz OZMSDFJSEMYHKG-UHFFFAOYSA-N 0 1 294.738 1.688 20 30 CDEDMN C#CC[N@H+](CCC(=O)Nc1ccccc1Cl)CC(=O)[O-] ZINC000092482362 967596433 /nfs/dbraw/zinc/59/64/33/967596433.db2.gz OZMSDFJSEMYHKG-UHFFFAOYSA-N 0 1 294.738 1.688 20 30 CDEDMN C#CCNCC(=O)N[C@H](CCC(=O)OC)c1ccccc1 ZINC001353304092 967877486 /nfs/dbraw/zinc/87/74/86/967877486.db2.gz XOSQWNXYEPKWHZ-CQSZACIVSA-N 0 1 288.347 1.020 20 30 CDEDMN C#CCNCC(=O)N1CCC[C@H](OCCC)CC1 ZINC001353314887 967887945 /nfs/dbraw/zinc/88/79/45/967887945.db2.gz XLZFOOZCDVUALM-ZDUSSCGKSA-N 0 1 252.358 1.017 20 30 CDEDMN C=C[C@](C)(CC)C(=O)N1CC(N2CCN(C)CC2)C1 ZINC001354017053 968409708 /nfs/dbraw/zinc/40/97/08/968409708.db2.gz ZOVLIOYRGLHEAY-OAHLLOKOSA-N 0 1 265.401 1.047 20 30 CDEDMN C#CCN1CCC(OC(=O)[C@H]2CCCSC2)CC1 ZINC001526630212 968575867 /nfs/dbraw/zinc/57/58/67/968575867.db2.gz MVCHCRDYSAIDIE-LBPRGKRZSA-N 0 1 267.394 1.770 20 30 CDEDMN C#CCN1CCC(OC(=O)C2(OC)CCC2)CC1 ZINC001526629483 968580338 /nfs/dbraw/zinc/58/03/38/968580338.db2.gz GLTYCXRCSDGAFE-UHFFFAOYSA-N 0 1 251.326 1.196 20 30 CDEDMN C#CCN1CCC(OC(=O)[C@@H]2CCO[C@@H](CC)C2)CC1 ZINC001526629451 968581559 /nfs/dbraw/zinc/58/15/59/968581559.db2.gz GAQFLCXRHQVZHI-KGLIPLIRSA-N 0 1 279.380 1.832 20 30 CDEDMN C=C[C@@H](C)ONC(=O)c1n[nH]cc1Br ZINC001528216656 968823752 /nfs/dbraw/zinc/82/37/52/968823752.db2.gz ZAGWKJOQGGTZPK-RXMQYKEDSA-N 0 1 260.091 1.408 20 30 CDEDMN C#CCO[N-]C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000848385174 969056871 /nfs/dbraw/zinc/05/68/71/969056871.db2.gz FIEKDQQSFKTXNM-GFCCVEGCSA-N 0 1 266.728 1.624 20 30 CDEDMN N#CC1(CNC(=O)c2ccc(F)cc2O)CCOCC1 ZINC001458030660 969249868 /nfs/dbraw/zinc/24/98/68/969249868.db2.gz BHILWSPMGGTONM-UHFFFAOYSA-N 0 1 278.283 1.581 20 30 CDEDMN C#CCNC(=O)CCNCc1cc(-c2ccccc2)no1 ZINC001356568966 969431632 /nfs/dbraw/zinc/43/16/32/969431632.db2.gz CBFQAOQPCKRHCJ-UHFFFAOYSA-N 0 1 283.331 1.571 20 30 CDEDMN Cc1cc(C#N)cnc1C(=O)NCc1n[nH]c(C2CC2)n1 ZINC001468386903 970159236 /nfs/dbraw/zinc/15/92/36/970159236.db2.gz NNPTVHOQFKMNOJ-UHFFFAOYSA-N 0 1 282.307 1.187 20 30 CDEDMN CCN1CCN(C(=O)NCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001468956657 970207845 /nfs/dbraw/zinc/20/78/45/970207845.db2.gz YDFAWVVTCHLUGJ-ZDUSSCGKSA-N 0 1 286.379 1.794 20 30 CDEDMN N#Cc1ccc2nc(NC(=O)CO[C@H]3CCOC3)[nH]c2c1 ZINC001361827731 970576155 /nfs/dbraw/zinc/57/61/55/970576155.db2.gz ALIZDTCLXRKZEU-JTQLQIEISA-N 0 1 286.291 1.179 20 30 CDEDMN CCc1nc([C@H](C)NC(=O)c2ccc(C#N)cc2OC)n[nH]1 ZINC001417701229 973302887 /nfs/dbraw/zinc/30/28/87/973302887.db2.gz BSZHIAOXVMAHGR-VIFPVBQESA-N 0 1 299.334 1.738 20 30 CDEDMN C=C(Cl)CNC[C@@H](C)NC(=O)c1cccc2n[nH]nc21 ZINC001497820889 973537684 /nfs/dbraw/zinc/53/76/84/973537684.db2.gz BUZPHYIXTRCQOF-SECBINFHSA-N 0 1 293.758 1.418 20 30 CDEDMN C=C(Br)CNC[C@H](C)NC(=O)[C@H](O)C(C)C ZINC001498038421 973639544 /nfs/dbraw/zinc/63/95/44/973639544.db2.gz OOFJPQUIIYYDBA-VHSXEESVSA-N 0 1 293.205 1.006 20 30 CDEDMN C=C(Cl)CN[C@@H](CC)CNC(=O)c1ccc(C)[nH]c1=O ZINC001373800429 973646913 /nfs/dbraw/zinc/64/69/13/973646913.db2.gz KDPIUXHVTOYWRZ-NSHDSACASA-N 0 1 297.786 1.946 20 30 CDEDMN C=C(Cl)CN[C@@H](C)CNC(=O)CCc1cn(C)nc1C ZINC001418286331 973730309 /nfs/dbraw/zinc/73/03/09/973730309.db2.gz TZLVNEHIFQMHMM-NSHDSACASA-N 0 1 298.818 1.508 20 30 CDEDMN C=C(Cl)CNC[C@H](O)CNC(=O)c1ccc(CC)cc1 ZINC001374679086 974065053 /nfs/dbraw/zinc/06/50/53/974065053.db2.gz JECZPZQRALHEPC-AWEZNQCLSA-N 0 1 296.798 1.682 20 30 CDEDMN C=C(C)CCC(=O)NCC[C@H](C)N[C@@H](C)c1nnnn1C ZINC001503223219 974817707 /nfs/dbraw/zinc/81/77/07/974817707.db2.gz GCHHIPQPCGAZJW-RYUDHWBXSA-N 0 1 294.403 1.112 20 30 CDEDMN C=C(Cl)CN[C@H](CC)CNC(=O)c1nc(C)c[nH]1 ZINC001378290112 975319451 /nfs/dbraw/zinc/31/94/51/975319451.db2.gz DNAUXZPFVIDAKI-SNVBAGLBSA-N 0 1 270.764 1.569 20 30 CDEDMN Cc1cnc(CN[C@H]2C[C@@H](CNC(=O)[C@@H](C)C#N)C2)s1 ZINC001397061822 975450841 /nfs/dbraw/zinc/45/08/41/975450841.db2.gz YDPDMIGOFWNSIT-ZMLRMANQSA-N 0 1 292.408 1.596 20 30 CDEDMN C=C(Cl)CNC[C@H](NC(=O)c1cnn(C)c1)C(C)(C)C ZINC001507887522 975560062 /nfs/dbraw/zinc/56/00/62/975560062.db2.gz CIOVOQAHYPHMGP-LBPRGKRZSA-N 0 1 298.818 1.907 20 30 CDEDMN C=C(Cl)CN(C)CCN(C)C(=O)c1cc(CC)[nH]n1 ZINC001379030168 975607746 /nfs/dbraw/zinc/60/77/46/975607746.db2.gz ZWCTXOHOEDLXEW-UHFFFAOYSA-N 0 1 284.791 1.728 20 30 CDEDMN C=C(Cl)CN[C@H](C)CNC(=O)c1cc(C)nn1C ZINC001398861313 976166002 /nfs/dbraw/zinc/16/60/02/976166002.db2.gz UJNDKFMQEZJBRR-SNVBAGLBSA-N 0 1 270.764 1.189 20 30 CDEDMN C=C(Cl)CN[C@H](C)CNC(=O)COc1cc(C)on1 ZINC001398944510 976258168 /nfs/dbraw/zinc/25/81/68/976258168.db2.gz KXYUESMZGKHZBV-SECBINFHSA-N 0 1 287.747 1.209 20 30 CDEDMN C=C(Cl)CNC1(CNC(=O)CCc2ccon2)CCC1 ZINC001402560626 976364229 /nfs/dbraw/zinc/36/42/29/976364229.db2.gz IRAGEPKXXCHCRO-UHFFFAOYSA-N 0 1 297.786 1.988 20 30 CDEDMN C=C(Cl)CN[C@H]1CN(C(=O)C2(COC)CC2)C[C@H]1C ZINC001402767587 976473127 /nfs/dbraw/zinc/47/31/27/976473127.db2.gz AOHFUMKROCNPSG-PWSUYJOCSA-N 0 1 286.803 1.602 20 30 CDEDMN C=C(Cl)CNC[C@@H]1CCCN1C(=O)c1cc(C)ncn1 ZINC001407100908 976553537 /nfs/dbraw/zinc/55/35/37/976553537.db2.gz ZKNNUXOHZLURFK-LBPRGKRZSA-N 0 1 294.786 1.732 20 30 CDEDMN C=C(Cl)CNC[C@@H]1CCCCN1C(=O)CC(C)(C)O ZINC001381266588 976734513 /nfs/dbraw/zinc/73/45/13/976734513.db2.gz LMKMTPZXERUQJE-LBPRGKRZSA-N 0 1 288.819 1.871 20 30 CDEDMN C=C(Cl)CNC1(CNC(=O)CCCC(N)=O)CCC1 ZINC001407821521 976784678 /nfs/dbraw/zinc/78/46/78/976784678.db2.gz KUGOOMDWQANZOJ-UHFFFAOYSA-N 0 1 287.791 1.023 20 30 CDEDMN C=C(Cl)CNC[C@@H](C1CC1)N(C)C(=O)c1c[nH]c(C)n1 ZINC001403501326 976997119 /nfs/dbraw/zinc/99/71/19/976997119.db2.gz SEMNCBJMMTWLBR-ZDUSSCGKSA-N 0 1 296.802 1.911 20 30 CDEDMN C[C@H](C#N)C(=O)NCC1(NCc2nccn2C)CCCC1 ZINC001391995957 977176070 /nfs/dbraw/zinc/17/60/70/977176070.db2.gz NAQWMLBACKXAEA-GFCCVEGCSA-N 0 1 289.383 1.098 20 30 CDEDMN C=C(Cl)CNC[C@@H](C)N(C)C(=O)c1ncccc1OC ZINC001392121117 977226100 /nfs/dbraw/zinc/22/61/00/977226100.db2.gz FFZMICZXGDRHON-LLVKDONJSA-N 0 1 297.786 1.893 20 30 CDEDMN C=C(Cl)CNC[C@@H](O)CNC(=O)c1occ2c1CCC2 ZINC001392393489 977424953 /nfs/dbraw/zinc/42/49/53/977424953.db2.gz UTZUURNFKMIPNO-LLVKDONJSA-N 0 1 298.770 1.201 20 30 CDEDMN CC[C@@H](CC#N)[NH2+][C@@H](C(=O)[O-])c1cccc(C(=O)OC)c1 ZINC001595029716 979160438 /nfs/dbraw/zinc/16/04/38/979160438.db2.gz DZUDBLVINWIDOP-QWHCGFSZSA-N 0 1 290.319 1.881 20 30 CDEDMN CC[C@H](CC#N)[NH2+][C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC001595030209 979165088 /nfs/dbraw/zinc/16/50/88/979165088.db2.gz LQGLFNWDVUJAFP-CHWSQXEVSA-N 0 1 257.293 1.966 20 30 CDEDMN CC#CCN1C[C@H](NC(=O)C2(COC)CCC2)CC[C@@H]1C ZINC001132190704 1163194872 /nfs/dbraw/zinc/19/48/72/1163194872.db2.gz MXZCSIWGTBWQJP-LSDHHAIUSA-N 0 1 292.423 1.796 20 30 CDEDMN CC1(C#N)CC[NH+](Cc2cnc(C(=O)[O-])cn2)CC1 ZINC001604483375 1163201522 /nfs/dbraw/zinc/20/15/22/1163201522.db2.gz RDTAZRGIBKRMCD-UHFFFAOYSA-N 0 1 260.297 1.300 20 30 CDEDMN CCC[C@@H](OC)C(=O)NCCNCC#Cc1ccccc1 ZINC001132291441 1163233258 /nfs/dbraw/zinc/23/32/58/1163233258.db2.gz WJEHKDDZLGCZCS-MRXNPFEDSA-N 0 1 288.391 1.559 20 30 CDEDMN C#C[C@H](C)[N@H+](C)Cc1ccccc1O[C@H](C)C(=O)[O-] ZINC001588368995 983309747 /nfs/dbraw/zinc/30/97/47/983309747.db2.gz XSAFYBCRFRBXHI-NWDGAFQWSA-N 0 1 261.321 1.992 20 30 CDEDMN C#CC[C@@H](CCOC)Nc1ccc(C(=O)[O-])c(C)[nH+]1 ZINC001588395265 983405333 /nfs/dbraw/zinc/40/53/33/983405333.db2.gz RRLIRADRMDHYAD-NSHDSACASA-N 0 1 262.309 1.929 20 30 CDEDMN C#CC[N@@H+](CC1CC1)[C@@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC001588468088 983500317 /nfs/dbraw/zinc/50/03/17/983500317.db2.gz OREMCPWEJICSDF-LBPRGKRZSA-N 0 1 292.379 1.043 20 30 CDEDMN C#CCOCC[N@@H+]1C[C@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC001588490970 983534476 /nfs/dbraw/zinc/53/44/76/983534476.db2.gz AVXSFFUPCSSXPL-HUUCEWRRSA-N 0 1 279.380 1.992 20 30 CDEDMN C=C[C@H](C(=O)[O-])[N@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC001588664371 983799931 /nfs/dbraw/zinc/79/99/31/983799931.db2.gz UTCNYDMFAXYYLY-GFCCVEGCSA-N 0 1 268.357 1.206 20 30 CDEDMN C=C[C@@H](C(=O)[O-])[N@@H+](C)C[C@@]1(O)CCc2ccccc21 ZINC001588664668 983802559 /nfs/dbraw/zinc/80/25/59/983802559.db2.gz SXYBITRCHVVRND-ZFWWWQNUSA-N 0 1 261.321 1.391 20 30 CDEDMN C=C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O)C(=O)[O-] ZINC001588695343 983900531 /nfs/dbraw/zinc/90/05/31/983900531.db2.gz INUXRGSSWUOZQV-RYUDHWBXSA-N 0 1 278.283 1.160 20 30 CDEDMN C=C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O)C(=O)[O-] ZINC001588695341 983900605 /nfs/dbraw/zinc/90/06/05/983900605.db2.gz INUXRGSSWUOZQV-NWDGAFQWSA-N 0 1 278.283 1.160 20 30 CDEDMN C=CC[C@H](C(=O)[O-])[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC001588731660 984010533 /nfs/dbraw/zinc/01/05/33/984010533.db2.gz MKQOIKRYPFMTMU-HUUCEWRRSA-N 0 1 275.348 1.959 20 30 CDEDMN C=CC[C@H](C(=O)[O-])[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC001588731660 984010541 /nfs/dbraw/zinc/01/05/41/984010541.db2.gz MKQOIKRYPFMTMU-HUUCEWRRSA-N 0 1 275.348 1.959 20 30 CDEDMN C=CC[C@@H](C(=O)OC)[N@@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC001588732081 984014590 /nfs/dbraw/zinc/01/45/90/984014590.db2.gz UZOZETOARJXLLF-AWEZNQCLSA-N 0 1 289.331 1.861 20 30 CDEDMN C=CC[C@@H](C(=O)OC)[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC001588732081 984014598 /nfs/dbraw/zinc/01/45/98/984014598.db2.gz UZOZETOARJXLLF-AWEZNQCLSA-N 0 1 289.331 1.861 20 30 CDEDMN C=CC(C)(C)C(=O)NCCNCc1ccc(F)cn1 ZINC001132402316 1163269296 /nfs/dbraw/zinc/26/92/96/1163269296.db2.gz OYUCXBPYSNGNNJ-UHFFFAOYSA-N 0 1 265.332 1.639 20 30 CDEDMN C=CC[C@H]([NH2+][C@@H]1CC[C@@H](C(=O)[O-])C1)C(=O)OCC ZINC001588746771 984060088 /nfs/dbraw/zinc/06/00/88/984060088.db2.gz VZRKWWXJZXKGQS-MXWKQRLJSA-N 0 1 255.314 1.337 20 30 CDEDMN C=CC[C@@H]1CC[N@@H+]1C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC001588772664 984144267 /nfs/dbraw/zinc/14/42/67/984144267.db2.gz LAAYNGQLXCISID-ZIAGYGMSSA-N 0 1 291.347 1.775 20 30 CDEDMN 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C[C@@H](OC(C)(C)C)[C@@H](N)C(=O)NC1(C#N)CCC1 ZINC001219606799 941364487 /nfs/dbraw/zinc/36/44/87/941364487.db2.gz SQCLRUXQTSUOCM-NXEZZACHSA-N 0 1 253.346 1.080 20 30 CDEDMN C=C(C)CNC(=O)[C@H](N)Cc1ccnc2ccccc12 ZINC001219879744 941392975 /nfs/dbraw/zinc/39/29/75/941392975.db2.gz MUXNCXQHQKVYCZ-CQSZACIVSA-N 0 1 269.348 1.797 20 30 CDEDMN C#C[C@](C)(N)C(=O)NCc1cc(F)c(F)c(F)c1 ZINC001219906707 941394351 /nfs/dbraw/zinc/39/43/51/941394351.db2.gz TZVMABXGNZEWLX-LBPRGKRZSA-N 0 1 256.227 1.071 20 30 CDEDMN CC(=O)/C=C(/C)NC(=O)[C@@H](N)Cc1cn(C)c2ccccc12 ZINC001219910184 941395680 /nfs/dbraw/zinc/39/56/80/941395680.db2.gz RMDLGWGHWQHFGP-QIENPNARSA-N 0 1 299.374 1.657 20 30 CDEDMN C=C(C)CN1C[C@@H](NC(=O)CC(CC)CC)[C@@H](O)C1 ZINC001220624349 941458889 /nfs/dbraw/zinc/45/88/89/941458889.db2.gz BRZPFDHRKALKFE-KGLIPLIRSA-N 0 1 268.401 1.550 20 30 CDEDMN C#CCCN1C[C@@H](NC(=O)[C@@H](C)CCC(C)(C)C)[C@@H](O)C1 ZINC001220764735 941469826 /nfs/dbraw/zinc/46/98/26/941469826.db2.gz UYBXBSBRHVAIRI-ZNMIVQPWSA-N 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941634585 /nfs/dbraw/zinc/63/45/85/941634585.db2.gz CQBXIHHTWWAEND-ZCFIWIBFSA-N 0 1 293.304 1.929 20 30 CDEDMN C=C1O[C@@H](C)C(=O)C1OCc1nc(C(=O)OC)cs1 ZINC001223009199 941649333 /nfs/dbraw/zinc/64/93/33/941649333.db2.gz AWRFZTOHMSXVHU-LURJTMIESA-N 0 1 283.305 1.666 20 30 CDEDMN O/N=C(\OC[C@H]1COCO1)c1ccc(Cl)cc1 ZINC001223596034 941687730 /nfs/dbraw/zinc/68/77/30/941687730.db2.gz ISSNXFKYMBTCRF-QGDAWOFLSA-N 0 1 257.673 1.865 20 30 CDEDMN O=C1OCC[C@@H]1O/C(=N\O)c1ccc(Cl)cc1 ZINC001223597344 941687872 /nfs/dbraw/zinc/68/78/72/941687872.db2.gz SLOKRHOFGCCNGT-FWSONLODSA-N 0 1 255.657 1.808 20 30 CDEDMN C=C1O[C@@H](C)C(=O)C1OCc1cccc(C(=O)OCC)n1 ZINC001223707594 941692544 /nfs/dbraw/zinc/69/25/44/941692544.db2.gz WAFOLXFYNZYRLT-VIFPVBQESA-N 0 1 291.303 1.994 20 30 CDEDMN CN(C)CC#CCNC(=O)N[C@H]1CCc2cc(F)ccc21 ZINC001224626611 941778467 /nfs/dbraw/zinc/77/84/67/941778467.db2.gz KQLUXWBTDSGAGC-HNNXBMFYSA-N 0 1 289.354 1.677 20 30 CDEDMN CN1[C@@H]2C[C@@H](Oc3cc(O)ccc3[N+](=O)[O-])C[C@H]1[C@@H]1O[C@@H]12 ZINC001225491280 941869057 /nfs/dbraw/zinc/86/90/57/941869057.db2.gz NYHGHXXVCKAPCI-LSVRBPJHSA-N 0 1 292.291 1.292 20 30 CDEDMN C=C[C@H](Oc1cc(O)ccc1[N+](=O)[O-])C(=O)OC ZINC001225492458 941869614 /nfs/dbraw/zinc/86/96/14/941869614.db2.gz WSRHFEWZUGTKDS-VIFPVBQESA-N 0 1 253.210 1.407 20 30 CDEDMN CC#CCN1CCC(NC(=O)C[C@H](C)OC)CC1 ZINC001226510482 942016983 /nfs/dbraw/zinc/01/69/83/942016983.db2.gz KBJHWWFCYKPZFK-LBPRGKRZSA-N 0 1 252.358 1.015 20 30 CDEDMN CC#CCN1CCC(NC(=O)CC[C@@H]2CCOC2)CC1 ZINC001226850258 942084465 /nfs/dbraw/zinc/08/44/65/942084465.db2.gz CQXFFCXNVMVHLC-CQSZACIVSA-N 0 1 278.396 1.407 20 30 CDEDMN CC(C)C(=O)N1CC(Oc2nc3ccc(C#N)cc3[nH]2)C1 ZINC001227217291 942151231 /nfs/dbraw/zinc/15/12/31/942151231.db2.gz BUEJNMOAALYKJN-UHFFFAOYSA-N 0 1 284.319 1.680 20 30 CDEDMN C=C1O[C@H](C)C(=O)C1Oc1ccc(C(=O)OC)nc1 ZINC001227735890 942214613 /nfs/dbraw/zinc/21/46/13/942214613.db2.gz NJRXAJUYGXKCSG-SSDOTTSWSA-N 0 1 263.249 1.466 20 30 CDEDMN C=C(C)C(=O)OC[C@H](C)Oc1[nH]c(=O)nc2cc[nH]c21 ZINC001227806890 942228759 /nfs/dbraw/zinc/22/87/59/942228759.db2.gz PFYBVRCCGQYCFZ-QMMMGPOBSA-N 0 1 277.280 1.550 20 30 CDEDMN CCC1=C(Oc2nc(C(=O)OC)ccc2O)C(=O)[C@@H](C)O1 ZINC001227820065 942231368 /nfs/dbraw/zinc/23/13/68/942231368.db2.gz MYHCWSBIYFJBFG-SSDOTTSWSA-N 0 1 293.275 1.562 20 30 CDEDMN CCC1=C(Oc2nc(C(=O)OC)ccc2O)C(=O)[C@H](C)O1 ZINC001227820066 942231910 /nfs/dbraw/zinc/23/19/10/942231910.db2.gz MYHCWSBIYFJBFG-ZETCQYMHSA-N 0 1 293.275 1.562 20 30 CDEDMN CC#CCN1CCC(NC(=O)C2(CCF)CC2)CC1 ZINC001228422320 942314270 /nfs/dbraw/zinc/31/42/70/942314270.db2.gz OZSVTLKLRZLQBE-UHFFFAOYSA-N 0 1 266.360 1.730 20 30 CDEDMN Cc1cc(CN2CC3(C[C@@H]3C(=O)NC3(C#N)CCC3)C2)n[nH]1 ZINC001277350921 942410370 /nfs/dbraw/zinc/41/03/70/942410370.db2.gz QXAXODPCOWADQY-CYBMUJFWSA-N 0 1 299.378 1.103 20 30 CDEDMN COCC#CCN1CCC(NC(=O)C2CC3(CC3)C2)CC1 ZINC001229139564 942423727 /nfs/dbraw/zinc/42/37/27/942423727.db2.gz 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C[C@@H]1[C@H](C)SCCN1C(=O)N=c1[nH]n(C)cc1C#N ZINC000610821388 346453906 /nfs/dbraw/zinc/45/39/06/346453906.db2.gz OOMJGYAKKKTELD-BDAKNGLRSA-N 0 1 279.369 1.071 20 30 CDEDMN CC#CC[C@@H](CO)NCc1cc(C(F)(F)F)nn1C ZINC000641768039 365828442 /nfs/dbraw/zinc/82/84/42/365828442.db2.gz UXGFQBFERDNPDC-VIFPVBQESA-N 0 1 275.274 1.303 20 30 CDEDMN CC#CC[C@H](CO)NCc1cc(F)ccc1OC ZINC000641767413 365830797 /nfs/dbraw/zinc/83/07/97/365830797.db2.gz KMHPJKZHQCGXOY-CYBMUJFWSA-N 0 1 251.301 1.698 20 30 CDEDMN Cn1cc(C#N)c(=NC(=O)NCC23CCC(CC2)C3)[nH]1 ZINC000611140977 346619521 /nfs/dbraw/zinc/61/95/21/346619521.db2.gz QGMYWZGMDXHZKM-UHFFFAOYSA-N 0 1 273.340 1.415 20 30 CDEDMN CC(C)(CO)N1CCN(Cc2ccc(C#N)s2)CC1 ZINC000611272190 346732404 /nfs/dbraw/zinc/73/24/04/346732404.db2.gz FDHSBYULTCNHKB-UHFFFAOYSA-N 0 1 279.409 1.508 20 30 CDEDMN N#CCCN(CCC#N)C(=O)c1cccc2c[nH]nc21 ZINC000067676845 347555639 /nfs/dbraw/zinc/55/56/39/347555639.db2.gz SCASZBWVYOBVSK-UHFFFAOYSA-N 0 1 267.292 1.832 20 30 CDEDMN C[C@@H]1CN(C(=O)N=c2[nH]n(C)cc2C#N)[C@H]1c1ccccc1 ZINC000614182042 348027233 /nfs/dbraw/zinc/02/72/33/348027233.db2.gz BAYWKXXXFYKJPL-BXUZGUMPSA-N 0 1 295.346 1.939 20 30 CDEDMN C[C@@H](CC[NH+](C)C)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614299973 348065181 /nfs/dbraw/zinc/06/51/81/348065181.db2.gz XMNGPKBVAXZBKP-JTQLQIEISA-N 0 1 261.325 1.334 20 30 CDEDMN C=C[C@H](C(=O)OC)N1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000619719100 348189845 /nfs/dbraw/zinc/18/98/45/348189845.db2.gz UBZLFKCHQHWNPC-WDEREUQCSA-N 0 1 264.329 1.020 20 30 CDEDMN C=C[C@H](C(=O)OC)N1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000619719100 348189847 /nfs/dbraw/zinc/18/98/47/348189847.db2.gz UBZLFKCHQHWNPC-WDEREUQCSA-N 0 1 264.329 1.020 20 30 CDEDMN C=CCNC(=O)CN(CCCc1ccccc1)CCOC ZINC000065959116 348970031 /nfs/dbraw/zinc/97/00/31/348970031.db2.gz WRBHSZZPIPJJQS-UHFFFAOYSA-N 0 1 290.407 1.870 20 30 CDEDMN CN(C)C(=O)CN1CCN(CCCCC(C)(C)C#N)CC1 ZINC000618273401 349422892 /nfs/dbraw/zinc/42/28/92/349422892.db2.gz RFFDGQCZTOOENK-UHFFFAOYSA-N 0 1 294.443 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C=C[C@@](C)(O)CC(=O)N1CCN(CCOC)[C@@H](CCC)C1 ZINC000431810859 361051208 /nfs/dbraw/zinc/05/12/08/361051208.db2.gz JAERHCQNJWDLIN-GOEBONIOSA-N 0 1 298.427 1.273 20 30 CDEDMN C=CCNC(=O)CN[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000180861275 189280725 /nfs/dbraw/zinc/28/07/25/189280725.db2.gz NZWJDIRXDMBIBW-NSHDSACASA-N 0 1 278.352 1.657 20 30 CDEDMN C=CCN(CCOC)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000434349282 361324204 /nfs/dbraw/zinc/32/42/04/361324204.db2.gz HDELZUMNEQWVIF-OAHLLOKOSA-N 0 1 295.427 1.847 20 30 CDEDMN C#CCNC(=O)[C@@H](C)N(C)C[C@H](C)c1nccs1 ZINC000248435376 361415236 /nfs/dbraw/zinc/41/52/36/361415236.db2.gz ABMRHCCABYKCHP-WDEREUQCSA-N 0 1 265.382 1.316 20 30 CDEDMN Cn1cc(CN[C@H](CO)CC(F)(F)F)cc1C#N ZINC000359689220 361409107 /nfs/dbraw/zinc/40/91/07/361409107.db2.gz SGUYSFOMIFPNKO-VIFPVBQESA-N 0 1 261.247 1.300 20 30 CDEDMN NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H]2CCCc3cn[nH]c32)O1 ZINC000329321553 361478516 /nfs/dbraw/zinc/47/85/16/361478516.db2.gz FEUBQKAIGSDFAU-KXUCPTDWSA-N 0 1 278.312 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/nfs/dbraw/zinc/14/05/63/1163140563.db2.gz GAAIJRSCDNIXIY-CABCVRRESA-N 0 1 260.381 1.638 20 30 CDEDMN CC#CCN1C[C@H](NC(=O)CC(C)(C)O)CC[C@@H]1C ZINC001132013615 1163145145 /nfs/dbraw/zinc/14/51/45/1163145145.db2.gz LVPWXPJGDGCNQD-QWHCGFSZSA-N 0 1 266.385 1.140 20 30 CDEDMN C#CCN1C[C@@H]2CCN(C(=O)CCc3nccs3)[C@@H]2C1 ZINC001076586188 1160779039 /nfs/dbraw/zinc/77/90/39/1160779039.db2.gz LTMWPNVPGNMACV-QWHCGFSZSA-N 0 1 289.404 1.242 20 30 CDEDMN C#CCN1C[C@@H](NC(=O)CC2(COC)CC2)CC[C@H]1C ZINC001132029190 1163152071 /nfs/dbraw/zinc/15/20/71/1163152071.db2.gz IJYBHSLSVDPHOG-KGLIPLIRSA-N 0 1 278.396 1.405 20 30 CDEDMN C#CCN1CC(C)(C)CC[C@H]1CNC(=O)[C@]12C[C@H]1COC2 ZINC001089644782 1161237781 /nfs/dbraw/zinc/23/77/81/1161237781.db2.gz LVFNMMOOPOHLEH-ZQIUZPCESA-N 0 1 290.407 1.263 20 30 CDEDMN C=C(C)CCN1C[C@H]2OCCN(C(=O)c3ccco3)[C@H]2C1 ZINC001082981266 1161580726 /nfs/dbraw/zinc/58/07/26/1161580726.db2.gz PNPDZHVQLJNCIK-DZGCQCFKSA-N 0 1 290.363 1.771 20 30 CDEDMN CC#CCN1C[C@H](NC(=O)COCC(F)F)CC[C@@H]1C ZINC001132202697 1163199304 /nfs/dbraw/zinc/19/93/04/1163199304.db2.gz KCNKYPIBBXEQKT-NWDGAFQWSA-N 0 1 288.338 1.261 20 30 CDEDMN C[C@]1(C(=O)[O-])CC[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC001604500304 1163210698 /nfs/dbraw/zinc/21/06/98/1163210698.db2.gz VGARXSIMWBONLU-YPMHNXCESA-N 0 1 266.341 1.228 20 30 CDEDMN CCc1ccc(CCn2cnc(-c3nn[nH]n3)c2C#N)cc1 ZINC001604522838 1163217745 /nfs/dbraw/zinc/21/77/45/1163217745.db2.gz DDIXVZGPAQABJQ-UHFFFAOYSA-N 0 1 293.334 1.740 20 30 CDEDMN CC[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C(C)(C)C(=O)[O-] ZINC001605420269 1163560023 /nfs/dbraw/zinc/56/00/23/1163560023.db2.gz DMBDWTQBRKGXEK-CYBMUJFWSA-N 0 1 276.336 1.777 20 30 CDEDMN C=C(Cl)CNCCNC(=O)c1ncn(C(C)(C)C)n1 ZINC001133815371 1163914139 /nfs/dbraw/zinc/91/41/39/1163914139.db2.gz PZYCEJHGDDRFTP-UHFFFAOYSA-N 0 1 285.779 1.105 20 30 CDEDMN C=CCCC(=O)N[C@H](C)C[C@H](C)NCc1cn(CC)nn1 ZINC001133884549 1163944202 /nfs/dbraw/zinc/94/42/02/1163944202.db2.gz QVMQSRMERGGKLD-QWHCGFSZSA-N 0 1 293.415 1.637 20 30 CDEDMN C[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1CCCSCC#N ZINC001607445282 1164182584 /nfs/dbraw/zinc/18/25/84/1164182584.db2.gz CXHHFBPAGQXTGG-GHMZBOCLSA-N 0 1 256.371 1.818 20 30 CDEDMN N#Cc1[nH]cnc1NC(=O)Cc1ccc2[nH]ccc2n1 ZINC001187413893 1164365537 /nfs/dbraw/zinc/36/55/37/1164365537.db2.gz JMKIBVOVJCGTBW-UHFFFAOYSA-N 0 1 266.264 1.339 20 30 CDEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC1CCOCC1 ZINC001114382971 1164559876 /nfs/dbraw/zinc/55/98/76/1164559876.db2.gz TUHZGUAYXPMBMH-QLPKVWCKSA-N 0 1 290.407 1.263 20 30 CDEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)CC(F)F ZINC001114395558 1164578357 /nfs/dbraw/zinc/57/83/57/1164578357.db2.gz UVEFOYQZJHQDIQ-IAZYJMLFSA-N 0 1 270.323 1.347 20 30 CDEDMN C[C@@H](C(=O)[O-])[N@@H+](Cc1cnc2c(C#N)cnn2c1)C1CCC1 ZINC001609641635 1165025567 /nfs/dbraw/zinc/02/55/67/1165025567.db2.gz NOGLIFBKCHGHOE-JTQLQIEISA-N 0 1 299.334 1.429 20 30 CDEDMN N#Cc1c(C[NH+]2CCC(O)CC2)cccc1C(=O)[O-] ZINC001610623231 1165383233 /nfs/dbraw/zinc/38/32/33/1165383233.db2.gz KRCPCPBMTAOQNH-UHFFFAOYSA-N 0 1 260.293 1.213 20 30 CDEDMN N#CCOc1ccc(CN2CCc3nncn3CC2)cc1 ZINC001137115409 1165968346 /nfs/dbraw/zinc/96/83/46/1165968346.db2.gz MNHHLBAGZNXBMX-UHFFFAOYSA-N 0 1 283.335 1.239 20 30 CDEDMN CC(=O)c1cc(C(O)=C(C#N)c2nccn2C)n(C)c1 ZINC001649166929 1166512552 /nfs/dbraw/zinc/51/25/52/1166512552.db2.gz CSLJRZQPRLTLJC-NSHDSACASA-N 0 1 270.292 1.451 20 30 CDEDMN C=CCCC(=O)NCCCNCc1nnc(C(C)C)n1C ZINC001155579630 1167240494 /nfs/dbraw/zinc/24/04/94/1167240494.db2.gz IFQFRXXBQZBBCE-UHFFFAOYSA-N 0 1 293.415 1.501 20 30 CDEDMN C[C@H]1CCCN(Cc2cn3cc(C#N)ccc3n2)[C@H]1CO ZINC001237609197 1167396137 /nfs/dbraw/zinc/39/61/37/1167396137.db2.gz ODACQCOTVJBGRN-WFASDCNBSA-N 0 1 284.363 1.799 20 30 CDEDMN C=CCOC(=O)N1CCN[C@H](Cc2ccccc2)C1 ZINC000062656025 1169069643 /nfs/dbraw/zinc/06/96/43/1169069643.db2.gz OINKJBDSZTWZBH-CQSZACIVSA-N 0 1 260.337 1.826 20 30 CDEDMN N#Cc1ccc2nc(NC(=O)CCc3cn[nH]c3)[nH]c2c1 ZINC001648094770 1169096145 /nfs/dbraw/zinc/09/61/45/1169096145.db2.gz SABPLLSUNWJRHX-UHFFFAOYSA-N 0 1 280.291 1.729 20 30 CDEDMN C[N@H+](Cc1cc(C#N)cs1)C[C@@H]1C[C@H]1C(=O)[O-] ZINC001573876644 1170815857 /nfs/dbraw/zinc/81/58/57/1170815857.db2.gz MDBXGDCULRUADE-GXSJLCMTSA-N 0 1 250.323 1.772 20 30 CDEDMN N#Cc1ccc(O[C@@H]2CC[N@H+](C[C@@H]3C[C@H]3C(=O)[O-])C2)nc1 ZINC001574250317 1170932566 /nfs/dbraw/zinc/93/25/66/1170932566.db2.gz XYDXGJPJIPLBNY-YNEHKIRRSA-N 0 1 287.319 1.127 20 30 CDEDMN C#CCN(Cc1c[nH]nn1)c1nnc(C(C)C)n1[C@@H]1C[C@H]1C ZINC001574954642 1171060553 /nfs/dbraw/zinc/06/05/53/1171060553.db2.gz MECSSSSETMBUFL-DGCLKSJQSA-N 0 1 299.382 1.740 20 30 CDEDMN C=CC(C)(C)C(=O)N[C@H]1CCCN(Cc2c[nH]nn2)[C@@H]1C ZINC001575066824 1171102023 /nfs/dbraw/zinc/10/20/23/1171102023.db2.gz YERDGTAYOLONMZ-YPMHNXCESA-N 0 1 291.399 1.486 20 30 CDEDMN COc1ccc(OC(=O)OCCc2c[nH]nn2)cc1C#N ZINC001577073540 1171594324 /nfs/dbraw/zinc/59/43/24/1171594324.db2.gz VRCGIPOXAWVXBA-UHFFFAOYSA-N 0 1 288.263 1.443 20 30 CDEDMN COc1ccc(OC(=O)OCCc2cnn[nH]2)cc1C#N ZINC001577073540 1171594333 /nfs/dbraw/zinc/59/43/33/1171594333.db2.gz VRCGIPOXAWVXBA-UHFFFAOYSA-N 0 1 288.263 1.443 20 30 CDEDMN N#CCN(Cc1c[nH]nn1)Cc1cc2cccnc2o1 ZINC001577706282 1171723557 /nfs/dbraw/zinc/72/35/57/1171723557.db2.gz AXKCHGVYYXAWLV-UHFFFAOYSA-N 0 1 268.280 1.472 20 30 CDEDMN N#CCn1cc(NC(=O)c2ccc(-c3cn[nH]n3)cc2)cn1 ZINC001577710016 1171724653 /nfs/dbraw/zinc/72/46/53/1171724653.db2.gz LYRGSEDRLBECPS-UHFFFAOYSA-N 0 1 293.290 1.444 20 30 CDEDMN COC(=O)c1[nH]c2ccccc2c1CN[C@H]1CNC[C@H]1C#N ZINC001578847917 1172024855 /nfs/dbraw/zinc/02/48/55/1172024855.db2.gz XOVKFYXQMLVDSQ-YGRLFVJLSA-N 0 1 298.346 1.156 20 30 CDEDMN C#CC[C@@H](COC)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001588334302 1173036423 /nfs/dbraw/zinc/03/64/23/1173036423.db2.gz SNASWKVNOUDJQQ-LBPRGKRZSA-N 0 1 289.314 1.134 20 30 CDEDMN CC(C)(C)[C@H](C#N)OC(=O)c1ccc(-c2nn[nH]n2)o1 ZINC001589086112 1173123065 /nfs/dbraw/zinc/12/30/65/1173123065.db2.gz SSMCCGZVIGTRLS-VIFPVBQESA-N 0 1 275.268 1.555 20 30 CDEDMN CC[C@@H]1CCC[C@@H]1CNc1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001590507694 1173444087 /nfs/dbraw/zinc/44/40/87/1173444087.db2.gz KGWHKYKFQKWZMY-NXEZZACHSA-N 0 1 298.354 1.767 20 30 CDEDMN Cc1nc(-c2nn[nH]n2)c(C#N)n1Cc1cccc(F)c1 ZINC001592335906 1173856473 /nfs/dbraw/zinc/85/64/73/1173856473.db2.gz MNUKTJCLZWXRFN-UHFFFAOYSA-N 0 1 283.270 1.431 20 30 CDEDMN Cc1cc(C#N)ccc1C(=O)O[C@@H]1C[C@H](C(=O)[O-])[N@@H+](C)C1 ZINC001600075269 1174352876 /nfs/dbraw/zinc/35/28/76/1174352876.db2.gz QGAZCVYUNPDNAM-DGCLKSJQSA-N 0 1 288.303 1.181 20 30 CDEDMN N#Cc1cccc(C[N@@H+]2CCSC[C@@H](C(=O)[O-])C2)n1 ZINC001601122506 1174750486 /nfs/dbraw/zinc/75/04/86/1174750486.db2.gz MMEUSVBZZPUMFQ-JTQLQIEISA-N 0 1 277.349 1.203 20 30 CDEDMN N#Cc1cncc(C[N@H+]2CC[C@](C(=O)[O-])(C(F)(F)F)C2)c1 ZINC001601131264 1174755693 /nfs/dbraw/zinc/75/56/93/1174755693.db2.gz WJCWPFCUKULNRS-LBPRGKRZSA-N 0 1 299.252 1.792 20 30 CDEDMN N#Cc1cncc(C[N@@H+]2CC[C@](C(=O)[O-])(C(F)(F)F)C2)c1 ZINC001601131264 1174755694 /nfs/dbraw/zinc/75/56/94/1174755694.db2.gz WJCWPFCUKULNRS-LBPRGKRZSA-N 0 1 299.252 1.792 20 30 CDEDMN CCCCN1CCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC001686985506 1174811441 /nfs/dbraw/zinc/81/14/41/1174811441.db2.gz HBPXBQVIWKAMFH-UHFFFAOYSA-N 0 1 260.341 1.444 20 30 CDEDMN C#CC[N@@H+]1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)[O-])C2)C1 ZINC001602720933 1175374246 /nfs/dbraw/zinc/37/42/46/1175374246.db2.gz MLQYOCAHPYQELS-BWBHSNQOSA-N 0 1 293.363 1.374 20 30 CDEDMN C=C[C@@H](C(=O)[O-])N1CC[NH+](Cc2ccsc2)CC1 ZINC001602806182 1175409063 /nfs/dbraw/zinc/40/90/63/1175409063.db2.gz UIIYVECFXFRJMC-LBPRGKRZSA-N 0 1 266.366 1.505 20 30 CDEDMN C=CCCCCCNc1ccnc(-c2nn[nH]n2)n1 ZINC001602837747 1175426707 /nfs/dbraw/zinc/42/67/07/1175426707.db2.gz HIKNCKWVGOZSST-UHFFFAOYSA-N 0 1 259.317 1.237 20 30 CDEDMN CC(C)c1nc(-c2nn[nH]n2)c(N=NCC2(C)COC2)o1 ZINC001603407438 1175550888 /nfs/dbraw/zinc/55/08/88/1175550888.db2.gz YFIGKKUXQGOFMH-UHFFFAOYSA-N 0 1 291.315 1.412 20 30 CDEDMN C[C@H](CC#N)NCCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC001603442038 1175552796 /nfs/dbraw/zinc/55/27/96/1175552796.db2.gz GWFLHMAVKHTJBX-SNVBAGLBSA-N 0 1 299.338 1.087 20 30 CDEDMN C=CC(C)(C)CC(=O)NCC[C@H](C)NCc1cn(C)nn1 ZINC001714471699 1179159013 /nfs/dbraw/zinc/15/90/13/1179159013.db2.gz MIWWPBPTOFRSJC-LBPRGKRZSA-N 0 1 293.415 1.402 20 30 CDEDMN C#CCN(C(=O)[C@H]1CC1(C)C)C1CCN(CC#CC)CC1 ZINC001724044510 1181632197 /nfs/dbraw/zinc/63/21/97/1181632197.db2.gz UFOYNOXLVNLURN-MRXNPFEDSA-N 0 1 286.419 1.982 20 30 CDEDMN C=CC(C)(C)C(=O)NCCCN(C)Cc1cnc(C)nc1 ZINC001752039104 1184811251 /nfs/dbraw/zinc/81/12/51/1184811251.db2.gz JYPOKCPTQKBWGS-UHFFFAOYSA-N 0 1 290.411 1.935 20 30 CDEDMN C#Cc1ccc(C(=O)NCCN2CCN(CC=C)CC2)cc1 ZINC001752370755 1184853756 /nfs/dbraw/zinc/85/37/56/1184853756.db2.gz OGDUREVIPWICBT-UHFFFAOYSA-N 0 1 297.402 1.201 20 30 CDEDMN C=CCN1CC[C@H](NC(=O)CCc2nc3ccccc3[nH]2)C1 ZINC001752392020 1184857511 /nfs/dbraw/zinc/85/75/11/1184857511.db2.gz RQWYZTVRCOCYMF-ZDUSSCGKSA-N 0 1 298.390 1.872 20 30 CDEDMN CC[C@@H](CN1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC(C)C)OC ZINC001752534863 1184877449 /nfs/dbraw/zinc/87/74/49/1184877449.db2.gz UEBKOHLXEHLVDS-XHSDSOJGSA-N 0 1 292.423 1.746 20 30 CDEDMN C#Cc1cccc(NC(=O)CN[C@H](C)CNC(=O)CC)c1 ZINC001752855934 1184934048 /nfs/dbraw/zinc/93/40/48/1184934048.db2.gz JAHHDIBHRYEJNC-GFCCVEGCSA-N 0 1 287.363 1.111 20 30 CDEDMN CC#CCN(C)CCNC(=O)c1cc2ccccc2c(=O)[nH]1 ZINC001753052409 1185020266 /nfs/dbraw/zinc/02/02/66/1185020266.db2.gz BCQQJQYDRBDRLU-UHFFFAOYSA-N 0 1 297.358 1.625 20 30 CDEDMN C#CCN(C)CCNC(=O)c1ccnn1[C@@H](C)CC ZINC001753050631 1185020405 /nfs/dbraw/zinc/02/04/05/1185020405.db2.gz OBHQOTFZZVBYLS-LBPRGKRZSA-N 0 1 262.357 1.149 20 30 CDEDMN C#CCN(C)CCNC(=O)c1ccc(C)nc1C1CC1 ZINC001753058082 1185025579 /nfs/dbraw/zinc/02/55/79/1185025579.db2.gz JBZNXLOVRJNZSP-UHFFFAOYSA-N 0 1 271.364 1.562 20 30 CDEDMN C#CCN(C)CCNC(=O)c1cc2ccc(OC)cc2[nH]1 ZINC001753058998 1185025948 /nfs/dbraw/zinc/02/59/48/1185025948.db2.gz OQFISYFUZSLTAU-UHFFFAOYSA-N 0 1 285.347 1.471 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ZINC001356609106 969440652 /nfs/dbraw/zinc/44/06/52/969440652.db2.gz DASIEZGTTJBIHE-HZPDHXFCSA-N 0 1 271.364 1.157 20 30 CDEDMN N#C[C@H](C(=O)c1cnn(C2CCC2)c1)c1ccncn1 ZINC001518076205 970008158 /nfs/dbraw/zinc/00/81/58/970008158.db2.gz KXZQWIATCXANBM-LBPRGKRZSA-N 0 1 267.292 1.888 20 30 CDEDMN N#CC(C(=O)c1cnn(C2CCC2)c1)c1ccncn1 ZINC001518076205 970008167 /nfs/dbraw/zinc/00/81/67/970008167.db2.gz KXZQWIATCXANBM-LBPRGKRZSA-N 0 1 267.292 1.888 20 30 CDEDMN C=C(C)CN(CC)C(=O)NC[C@H](C)N1CCN(C)CC1 ZINC001521617975 970326942 /nfs/dbraw/zinc/32/69/42/970326942.db2.gz OCNYAPGSCFNPEB-AWEZNQCLSA-N 0 1 282.432 1.230 20 30 CDEDMN C[C@@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)[C@@H]1C(=O)[O-] ZINC001603408726 973079541 /nfs/dbraw/zinc/07/95/41/973079541.db2.gz BISUHEAKVOBQSJ-AGIUHOORSA-N 0 1 280.368 1.616 20 30 CDEDMN C=C(Cl)CN[C@@H](CNC(=O)c1cccnc1)C1CC1 ZINC001417968459 973503055 /nfs/dbraw/zinc/50/30/55/973503055.db2.gz RECHJABVACUBKW-ZDUSSCGKSA-N 0 1 279.771 1.932 20 30 CDEDMN C=C(Cl)CNC[C@@H](C)NC(=O)CCc1ccon1 ZINC001497856396 973549378 /nfs/dbraw/zinc/54/93/78/973549378.db2.gz JWRDANMUWYONDT-SNVBAGLBSA-N 0 1 271.748 1.454 20 30 CDEDMN C=C(Cl)CNC1(CNC(=O)CCn2ccnc2)CC1 ZINC001375455007 974388521 /nfs/dbraw/zinc/38/85/21/974388521.db2.gz GXLBMJMOTXOYJX-UHFFFAOYSA-N 0 1 282.775 1.264 20 30 CDEDMN C=C(Cl)CNC[C@H]1CCCN1C(=O)C1=COCCO1 ZINC001375748139 974469112 /nfs/dbraw/zinc/46/91/12/974469112.db2.gz ZFXATBWHAHAFMU-LLVKDONJSA-N 0 1 286.759 1.208 20 30 CDEDMN C=C(Br)CN[C@@H](CNC(=O)COC)C1CC1 ZINC001376185820 974594284 /nfs/dbraw/zinc/59/42/84/974594284.db2.gz SAAXKJFBGZNKFZ-JTQLQIEISA-N 0 1 291.189 1.026 20 30 CDEDMN C=C(Cl)CN[C@H](C)CNC(=O)Cc1[nH]cnc1C ZINC001376854236 974795121 /nfs/dbraw/zinc/79/51/21/974795121.db2.gz DDGVIMURUWWZDD-SECBINFHSA-N 0 1 270.764 1.107 20 30 CDEDMN C=C(Cl)CN1CCC(CCNC(=O)CCOC)CC1 ZINC001401066039 975446587 /nfs/dbraw/zinc/44/65/87/975446587.db2.gz CINOBWJEQSKKSL-UHFFFAOYSA-N 0 1 288.819 1.994 20 30 CDEDMN C=C(Cl)CNC[C@H](C)N(C)C(=O)c1n[nH]cc1C ZINC001378769367 975484572 /nfs/dbraw/zinc/48/45/72/975484572.db2.gz RCRVCVBLTKVWJD-JTQLQIEISA-N 0 1 270.764 1.521 20 30 CDEDMN C[C@@H](C#N)C(=O)NC[C@H]1C[C@H](NCc2cscn2)C1 ZINC001397631821 975664128 /nfs/dbraw/zinc/66/41/28/975664128.db2.gz XOGGTZDWNKAQJR-DCAQKATOSA-N 0 1 278.381 1.287 20 30 CDEDMN C=C(Cl)CNC[C@H](C)NC(=O)c1cccc2ncnn21 ZINC001379520299 975902005 /nfs/dbraw/zinc/90/20/05/975902005.db2.gz JXVZCSLKLAIJIH-JTQLQIEISA-N 0 1 293.758 1.190 20 30 CDEDMN C=C(Cl)CNC[C@H](C)NC(=O)c1cc(Cl)no1 ZINC001379596107 975943321 /nfs/dbraw/zinc/94/33/21/975943321.db2.gz JAIJODTZVISGRC-ZETCQYMHSA-N 0 1 278.139 1.788 20 30 CDEDMN C=C(Cl)CN[C@H]1CCN(C(=O)CC2(OC)CCC2)C1 ZINC001398485911 976004304 /nfs/dbraw/zinc/00/43/04/976004304.db2.gz JKUVJRGEBZUXGL-LBPRGKRZSA-N 0 1 286.803 1.889 20 30 CDEDMN C=C(Cl)CNC[C@H](O)CNC(=O)C1(F)CCCCC1 ZINC001406295439 976112278 /nfs/dbraw/zinc/11/22/78/976112278.db2.gz UXTIJHYNXMZLPW-NSHDSACASA-N 0 1 292.782 1.478 20 30 CDEDMN C=C(Cl)CN[C@@H](C)CNC(=O)c1cnn(CC)c1 ZINC001390332474 976240047 /nfs/dbraw/zinc/24/00/47/976240047.db2.gz DDLMQLZJIFZAOB-JTQLQIEISA-N 0 1 270.764 1.363 20 30 CDEDMN C=C(Cl)CN[C@@H](C)CNC(=O)c1csc(=O)[nH]1 ZINC001399033955 976300416 /nfs/dbraw/zinc/30/04/16/976300416.db2.gz UYCGZVBOVQLQQI-ZETCQYMHSA-N 0 1 275.761 1.309 20 30 CDEDMN C=C(Cl)CNC1(CNC(=O)c2ccc(=O)[nH]n2)CCC1 ZINC001407773092 976761431 /nfs/dbraw/zinc/76/14/31/976761431.db2.gz RJCVEDJIRWGQOT-UHFFFAOYSA-N 0 1 296.758 1.177 20 30 CDEDMN CCC(=O)N[C@H](C)C1CN(Cc2ccc(C#N)cc2)C1 ZINC001381766849 977007440 /nfs/dbraw/zinc/00/74/40/977007440.db2.gz FMNXHZSWELVUEZ-GFCCVEGCSA-N 0 1 271.364 1.905 20 30 CDEDMN CC[C@@H](F)C(=O)NCCN(C)Cc1ccc(F)c(C#N)c1 ZINC001403635853 977116351 /nfs/dbraw/zinc/11/63/51/977116351.db2.gz BFQDMTNOMVHZJE-CYBMUJFWSA-N 0 1 295.333 1.993 20 30 CDEDMN C=C(Br)CNC[C@@H](C)NC(=O)COC(C)C ZINC001392467950 977435491 /nfs/dbraw/zinc/43/54/91/977435491.db2.gz XSKUPSYOZDSATP-SNVBAGLBSA-N 0 1 293.205 1.414 20 30 CDEDMN C=C(Cl)CNC[C@H](C)NC(=O)c1[nH]c(C)nc1C ZINC001392593360 977498238 /nfs/dbraw/zinc/49/82/38/977498238.db2.gz FTHSFRGTJHTRAI-QMMMGPOBSA-N 0 1 270.764 1.487 20 30 CDEDMN CC[C@H](C)[N@H+](CC(=O)[O-])C[C@@H](O)CC1(C#N)CCOCC1 ZINC001594979225 982764894 /nfs/dbraw/zinc/76/48/94/982764894.db2.gz FAEITJWEBOLSMD-STQMWFEESA-N 0 1 298.383 1.243 20 30 CDEDMN C#CC[C@H]([NH2+]C1CCN(CCC(C)C)CC1)C(=O)[O-] ZINC001588421476 983441152 /nfs/dbraw/zinc/44/11/52/983441152.db2.gz JZKQPXZSKWWXKW-AWEZNQCLSA-N 0 1 266.385 1.563 20 30 CDEDMN C#CC[N@H+](C[C@H]1CC(C(=O)[O-])=C(C)O1)C(C)(C)C ZINC001588468234 983500519 /nfs/dbraw/zinc/50/05/19/983500519.db2.gz SHZPLMPCPSLDNW-LLVKDONJSA-N 0 1 251.326 1.868 20 30 CDEDMN C=C(CCC(=O)[O-])C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001588622969 983726059 /nfs/dbraw/zinc/72/60/59/983726059.db2.gz HXEIPTNIOLAQKI-CHWSQXEVSA-N 0 1 280.368 1.541 20 30 CDEDMN C=C(CCC(=O)[O-])C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001588624665 983733877 /nfs/dbraw/zinc/73/38/77/983733877.db2.gz ROOLNIJOGKZOSW-AWEZNQCLSA-N 0 1 294.395 1.646 20 30 CDEDMN CC[N@H+](CCOC)Cc1cccc(C(=O)[O-])c1C#N ZINC001596340285 983786623 /nfs/dbraw/zinc/78/66/23/983786623.db2.gz CUOSFSSQLNQUDN-UHFFFAOYSA-N 0 1 262.309 1.725 20 30 CDEDMN CC[N@@H+](CCOC)Cc1cccc(C(=O)[O-])c1C#N ZINC001596340285 983786624 /nfs/dbraw/zinc/78/66/24/983786624.db2.gz CUOSFSSQLNQUDN-UHFFFAOYSA-N 0 1 262.309 1.725 20 30 CDEDMN C=C[C@@H](C(=O)[O-])[N@@H+](C)C[C@]1(O)CCc2ccccc21 ZINC001588664661 983802608 /nfs/dbraw/zinc/80/26/08/983802608.db2.gz SXYBITRCHVVRND-DZGCQCFKSA-N 0 1 261.321 1.391 20 30 CDEDMN C=C[C@@H](C(=O)[O-])[N@@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC001588669267 983811187 /nfs/dbraw/zinc/81/11/87/983811187.db2.gz HTALUGHASMRPSB-HZSPNIEDSA-N 0 1 261.321 1.161 20 30 CDEDMN C=C[C@H](CC)CC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)[O-])C1 ZINC001588691296 983880276 /nfs/dbraw/zinc/88/02/76/983880276.db2.gz XCOSYSIEEXCDKI-VXGBXAGGSA-N 0 1 268.357 1.064 20 30 CDEDMN C=CCC[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC001588805626 984254573 /nfs/dbraw/zinc/25/45/73/984254573.db2.gz IFLRACTVKZNYQF-CHWSQXEVSA-N 0 1 280.368 1.206 20 30 CDEDMN C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H](C(=O)[O-])[C@H]1C ZINC001588825119 984298207 /nfs/dbraw/zinc/29/82/07/984298207.db2.gz AODGCUHFIRCKQA-FRRDWIJNSA-N 0 1 280.368 1.371 20 30 CDEDMN CC[C@@H](F)C(=O)NCCNCc1cc(C#N)ccc1OC ZINC001132431904 1163285435 /nfs/dbraw/zinc/28/54/35/1163285435.db2.gz FHGVOFYKQGZHPA-CYBMUJFWSA-N 0 1 293.342 1.521 20 30 CDEDMN C[C@@H]1CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC[C@H]1[NH3+] ZINC001594502531 985692980 /nfs/dbraw/zinc/69/29/80/985692980.db2.gz SZWVTTOGNCOARW-HONMWMINSA-N 0 1 273.336 1.353 20 30 CDEDMN C[C@@H]1C[N@@H+](Cc2occc2C(=O)[O-])C[C@H](C)N1CC#N ZINC001594550356 986254492 /nfs/dbraw/zinc/25/44/92/986254492.db2.gz LNCUASODOYWQSL-PHIMTYICSA-N 0 1 277.324 1.396 20 30 CDEDMN C[C@@H]1C[N@H+](Cc2occc2C(=O)[O-])C[C@H](C)N1CC#N ZINC001594550356 986254502 /nfs/dbraw/zinc/25/45/02/986254502.db2.gz LNCUASODOYWQSL-PHIMTYICSA-N 0 1 277.324 1.396 20 30 CDEDMN CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](O)[C@H]1C(=O)[O-] ZINC001589554211 987299313 /nfs/dbraw/zinc/29/93/13/987299313.db2.gz YBEGJJYOQUZLQG-NEPJUHHUSA-N 0 1 268.357 1.616 20 30 CDEDMN C[C@@H]1C[NH+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)C[C@@H](C)C1=O ZINC001599864569 989223005 /nfs/dbraw/zinc/22/30/05/989223005.db2.gz VIGHMGZFGMATLM-GYSYKLTISA-N 0 1 286.331 1.841 20 30 CDEDMN CN(CCC#N)c1ccc(C[N@@H+]2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cc1 ZINC001598469060 991995588 /nfs/dbraw/zinc/99/55/88/991995588.db2.gz RCQWIJVBJQPURN-ZSHCYNCHSA-N 0 1 299.374 1.799 20 30 CDEDMN C[N@@H+](CCc1cccc(C#N)c1)Cc1cnc(C(=O)[O-])cn1 ZINC001598500267 992426672 /nfs/dbraw/zinc/42/66/72/992426672.db2.gz OWXTULNFZZICNJ-UHFFFAOYSA-N 0 1 296.330 1.721 20 30 CDEDMN C[N@@H+](CCc1cccc(C#N)c1)C[C@@H]1[C@H](C(=O)[O-])C1(F)F ZINC001598500359 992427229 /nfs/dbraw/zinc/42/72/29/992427229.db2.gz UUZDCUFBRRGCCB-CHWSQXEVSA-N 0 1 294.301 1.998 20 30 CDEDMN C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCC(=O)NCC(=O)[O-] ZINC001593698158 996162031 /nfs/dbraw/zinc/16/20/31/996162031.db2.gz GXYSXXIOMPLHRR-NSHDSACASA-N 0 1 289.335 1.142 20 30 CDEDMN CO[C@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)[C@H](C(=O)[O-])C1 ZINC001599122891 997772237 /nfs/dbraw/zinc/77/22/37/997772237.db2.gz DXMFZISIBNEJDP-KBPBESRZSA-N 0 1 292.310 1.761 20 30 CDEDMN COCC#CC[NH+]1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC001599137749 998072871 /nfs/dbraw/zinc/07/28/71/998072871.db2.gz CBEKLMNNQNUCQA-UHFFFAOYSA-N 0 1 294.376 1.671 20 30 CDEDMN CC[N@@H+](C)[C@@H]1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC001605407384 1163555371 /nfs/dbraw/zinc/55/53/71/1163555371.db2.gz QHUSHFUGLHOSID-HUUCEWRRSA-N 0 1 287.363 1.710 20 30 CDEDMN CCN(C)[C@@H]1CC[N@@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC001605407384 1163555377 /nfs/dbraw/zinc/55/53/77/1163555377.db2.gz QHUSHFUGLHOSID-HUUCEWRRSA-N 0 1 287.363 1.710 20 30 CDEDMN CCN(C)[C@@H]1CC[N@H+]([C@@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC001605407384 1163555383 /nfs/dbraw/zinc/55/53/83/1163555383.db2.gz QHUSHFUGLHOSID-HUUCEWRRSA-N 0 1 287.363 1.710 20 30 CDEDMN C=C1CC(C)(C(=O)NCCNCc2cccnc2OC)C1 ZINC001133570162 1163790424 /nfs/dbraw/zinc/79/04/24/1163790424.db2.gz MDLSWOWXSKLGMF-UHFFFAOYSA-N 0 1 289.379 1.652 20 30 CDEDMN C=CCCC(=O)N1CCCC[C@H]1CNCc1cnns1 ZINC001674366841 1173936763 /nfs/dbraw/zinc/93/67/63/1173936763.db2.gz UOVSXLLRPHPCBS-LBPRGKRZSA-N 0 1 294.424 1.975 20 30 CDEDMN C[C@@H]1CCCC[C@]1(C)NC(=O)N[C@@H]1CNC[C@H]1C#N ZINC001576682616 1171490913 /nfs/dbraw/zinc/49/09/13/1171490913.db2.gz XXCNKSVBWMVASA-BYNQJWBRSA-N 0 1 264.373 1.366 20 30 CDEDMN C[C@@H]1CN(C(=O)NCCc2ccc(C#N)cc2)C[C@@H](C)N1 ZINC001576780739 1171515702 /nfs/dbraw/zinc/51/57/02/1171515702.db2.gz PPWARJHIUDZANX-CHWSQXEVSA-N 0 1 286.379 1.493 20 30 CDEDMN Cc1nc(N2CCN(C(C)(C)CO)CC2)ccc1C#N ZINC000589863519 342515890 /nfs/dbraw/zinc/51/58/90/342515890.db2.gz AYYAEOCHQNCYTI-UHFFFAOYSA-N 0 1 274.368 1.155 20 30 CDEDMN COc1ccc(CN2CCC[C@H](CO)C2)cc1C#N ZINC000087832756 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C=CCCC(=O)NCCC[N@H+](C)CC(=O)NCC1CCC1 ZINC001235480617 944169434 /nfs/dbraw/zinc/16/94/34/944169434.db2.gz OADXQZVAOIJWNU-UHFFFAOYSA-N 0 1 295.427 1.307 20 30 CDEDMN C=CCCC(=O)NCCCN(C)CC(=O)NCC1CCC1 ZINC001235480617 944169437 /nfs/dbraw/zinc/16/94/37/944169437.db2.gz OADXQZVAOIJWNU-UHFFFAOYSA-N 0 1 295.427 1.307 20 30 CDEDMN N#CC1CCN(Cc2ccccc2OCCO)CC1 ZINC001237198826 944691222 /nfs/dbraw/zinc/69/12/22/944691222.db2.gz YMXBQWSUYIHIBA-UHFFFAOYSA-N 0 1 260.337 1.793 20 30 CDEDMN N#Cc1cc(CN2C[C@H]3CCCC(=O)[C@@H]3C2)ccn1 ZINC001237464591 944794874 /nfs/dbraw/zinc/79/48/74/944794874.db2.gz FPODIFBFESHZJC-TZMCWYRMSA-N 0 1 255.321 1.754 20 30 CDEDMN N#Cc1ccc([N-]S(=O)(=O)CC[NH3+])c2ccccc12 ZINC001237596847 944866680 /nfs/dbraw/zinc/86/66/80/944866680.db2.gz RQQURFPTRQZYAV-UHFFFAOYSA-N 0 1 275.333 1.412 20 30 CDEDMN N#C[C@@H]1CCCN(Cc2cccc(C(N)=O)c2)CC1 ZINC001237694941 944930155 /nfs/dbraw/zinc/93/01/55/944930155.db2.gz RSTIEXXNWPJVOS-GFCCVEGCSA-N 0 1 257.337 1.911 20 30 CDEDMN C=CCC[C@H](C)NCc1nnc(C(=O)OCC)o1 ZINC001258716671 945390991 /nfs/dbraw/zinc/39/09/91/945390991.db2.gz AODJHDPGJSFHIB-VIFPVBQESA-N 0 1 253.302 1.691 20 30 CDEDMN C#Cc1cc(=NS(=O)(=O)c2ccccc2OC)cc[nH]1 ZINC001259294543 945550646 /nfs/dbraw/zinc/55/06/46/945550646.db2.gz UFQHSQJMQRMBCS-UHFFFAOYSA-N 0 1 288.328 1.294 20 30 CDEDMN C#Cc1cc(NS(=O)(=O)c2ccccc2OC)ccn1 ZINC001259294543 945550653 /nfs/dbraw/zinc/55/06/53/945550653.db2.gz UFQHSQJMQRMBCS-UHFFFAOYSA-N 0 1 288.328 1.294 20 30 CDEDMN N#Cc1cncc(NS(=O)(=O)C2CCCC2)n1 ZINC001259794249 945634292 /nfs/dbraw/zinc/63/42/92/945634292.db2.gz YWPFBOSOCVPYEJ-UHFFFAOYSA-N 0 1 252.299 1.033 20 30 CDEDMN N#Cc1nc(-c2cnn([C@H]3CCOC3)c2)cc2[nH]cnc21 ZINC001240616850 945939554 /nfs/dbraw/zinc/93/95/54/945939554.db2.gz QYWVTFFGOBBKIZ-JTQLQIEISA-N 0 1 280.291 1.654 20 30 CDEDMN C=C[C@@H](COC)NC(=O)NCc1n[nH]c(C(C)(C)C)n1 ZINC001261295505 946042293 /nfs/dbraw/zinc/04/22/93/946042293.db2.gz AOERSBWEONGMLQ-VIFPVBQESA-N 0 1 281.360 1.102 20 30 CDEDMN CCc1nc(C#N)c(C#N)nc1C1=CCN(C)CC1 ZINC001241316575 946214199 /nfs/dbraw/zinc/21/41/99/946214199.db2.gz AODCACVQXBPJCN-UHFFFAOYSA-N 0 1 253.309 1.501 20 30 CDEDMN N#Cc1nc(-c2cnc3n[nH]cc3c2)cc2[nH]cnc21 ZINC001241421045 946255788 /nfs/dbraw/zinc/25/57/88/946255788.db2.gz DPZPKHRHEZQGGT-UHFFFAOYSA-N 0 1 261.248 1.768 20 30 CDEDMN COc1cccc(C2=C3C(=NC(=O)C[C@@H]3C)N=CN2)c1C#N ZINC001242297636 946657930 /nfs/dbraw/zinc/65/79/30/946657930.db2.gz OKMMWWXRZKAGLQ-VIFPVBQESA-N 0 1 294.314 1.874 20 30 CDEDMN COC(=O)c1ccc(-c2ccc(O)c(C#N)c2)c(C#N)n1 ZINC001242565142 946797349 /nfs/dbraw/zinc/79/73/49/946797349.db2.gz NPMNQQRCOMKVOS-UHFFFAOYSA-N 0 1 279.255 1.984 20 30 CDEDMN N#Cc1cc(CN[C@@H]2CCS(=O)(=O)C2)ccc1Cl ZINC001254327925 947371062 /nfs/dbraw/zinc/37/10/62/947371062.db2.gz ZARQTUGBEIKUPB-LLVKDONJSA-N 0 1 284.768 1.488 20 30 CDEDMN COc1ccc(CN[C@@H]2CC[C@@H](C#N)C2)nc1OC ZINC001254647302 947567438 /nfs/dbraw/zinc/56/74/38/947567438.db2.gz GAMQYQGGAXKUHV-GHMZBOCLSA-N 0 1 261.325 1.881 20 30 CDEDMN N#C[C@@H]1CC[C@H](N2CCC[C@@H](NC(=O)N3CCCC3)C2)C1 ZINC001254676203 947590057 /nfs/dbraw/zinc/59/00/57/947590057.db2.gz IZWRDGRQDRGVRB-KFWWJZLASA-N 0 1 290.411 1.948 20 30 CDEDMN N#C[C@@H]1CC[C@@H](N2CCC[C@@H](NC(=O)c3ccncc3)C2)C1 ZINC001254677596 947593198 /nfs/dbraw/zinc/59/31/98/947593198.db2.gz UZHBDDGUYXONTF-FVQBIDKESA-N 0 1 298.390 1.968 20 30 CDEDMN N#Cc1cnc(CN[C@H]2CC3CCN(CC3)C2)s1 ZINC001254846221 947623920 /nfs/dbraw/zinc/62/39/20/947623920.db2.gz SDQCIXYSYSWSEJ-NSHDSACASA-N 0 1 262.382 1.589 20 30 CDEDMN CC[C@@H](CC#N)N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001255170802 947764489 /nfs/dbraw/zinc/76/44/89/947764489.db2.gz YHWRZWMDYSVGOV-SOUVJXGZSA-N 0 1 263.385 1.474 20 30 CDEDMN CCOC(=O)N1CC[C@@H](N2CCC[C@@H](CC#N)C2)C1 ZINC001256036937 948173172 /nfs/dbraw/zinc/17/31/72/948173172.db2.gz AVTSTNOSWSKKNJ-QWHCGFSZSA-N 0 1 265.357 1.843 20 30 CDEDMN N#CC1CCC(N2CCN(C(=O)C3CC3)CC2)CC1 ZINC001256968937 948464751 /nfs/dbraw/zinc/46/47/51/948464751.db2.gz STOGDMKCKMGTPP-UHFFFAOYSA-N 0 1 261.369 1.623 20 30 CDEDMN Cc1ccc2nc(CN3CCC(=O)[C@H](C#N)C3)[nH]c2c1 ZINC001248842498 949218746 /nfs/dbraw/zinc/21/87/46/949218746.db2.gz WVLWIHVYMYJITF-LLVKDONJSA-N 0 1 268.320 1.786 20 30 CDEDMN N#Cc1ccn2ncc(CN3CCC[C@@]4(CCO4)C3)c2c1 ZINC001249113385 949389636 /nfs/dbraw/zinc/38/96/36/949389636.db2.gz HUGGHYSWLZQIQH-MRXNPFEDSA-N 0 1 282.347 1.961 20 30 CDEDMN C#CCOC[C@@H](O)CN[C@@H](c1ccccc1)c1ccccn1 ZINC001251888158 950920643 /nfs/dbraw/zinc/92/06/43/950920643.db2.gz PBSJLFPYQZTCEC-WMZOPIPTSA-N 0 1 296.370 1.771 20 30 CDEDMN C=CCOC[C@@H](O)CN[C@H]1CCOc2cc(F)cc(F)c21 ZINC001252493653 951365028 /nfs/dbraw/zinc/36/50/28/951365028.db2.gz RJFAUXGFTCNNEA-AAEUAGOBSA-N 0 1 299.317 1.942 20 30 CDEDMN CCCCOC[C@H](O)C[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001252506945 951391692 /nfs/dbraw/zinc/39/16/92/951391692.db2.gz KSPRYTFFZNFFTP-OLZOCXBDSA-N 0 1 285.409 1.438 20 30 CDEDMN CCCCOC[C@H](O)C[N@H+]1CCC2SC(=O)C=C2C1 ZINC001252506945 951391701 /nfs/dbraw/zinc/39/17/01/951391701.db2.gz KSPRYTFFZNFFTP-OLZOCXBDSA-N 0 1 285.409 1.438 20 30 CDEDMN CCCCOC[C@@H](O)CNCc1cc(C#N)co1 ZINC001252539576 951426500 /nfs/dbraw/zinc/42/65/00/951426500.db2.gz FDYZSTOWUOKLLP-LBPRGKRZSA-N 0 1 252.314 1.418 20 30 CDEDMN C=CCC[C@@H](O)CN(C)[C@H](C(=O)OC)[C@@H](C)CC ZINC001252601658 951495926 /nfs/dbraw/zinc/49/59/26/951495926.db2.gz BGGWBSFMFMDXFV-XQQFMLRXSA-N 0 1 257.374 1.833 20 30 CDEDMN C=CCC[C@@H](O)CN[C@@H](CC(=O)OC)c1ccccn1 ZINC001252620609 951513818 /nfs/dbraw/zinc/51/38/18/951513818.db2.gz XLUGWFWRUSPHSO-OCCSQVGLSA-N 0 1 278.352 1.603 20 30 CDEDMN C=C[C@@H](O)CN1CCc2c(c(COCC3CC3)nn2C)C1 ZINC001253581653 951971577 /nfs/dbraw/zinc/97/15/77/951971577.db2.gz JRTIEJQBLGVMDN-CYBMUJFWSA-N 0 1 291.395 1.252 20 30 CDEDMN C=C[C@@H](O)CN1CCN(Cc2c(F)cccc2F)CC1 ZINC001253583843 951973557 /nfs/dbraw/zinc/97/35/57/951973557.db2.gz ADSMMJFXIZNKKK-GFCCVEGCSA-N 0 1 282.334 1.629 20 30 CDEDMN CC(C)(C)OC(=O)[C@H](O)CN1CCC[C@@H](CC#N)C1 ZINC001253682253 952032303 /nfs/dbraw/zinc/03/23/03/952032303.db2.gz SGZMGRYSZZAVLZ-NWDGAFQWSA-N 0 1 268.357 1.315 20 30 CDEDMN N#Cc1cccc(-c2n[nH]c(NC(=O)[C@@H]3CCCOC3)n2)c1 ZINC001363745019 953736974 /nfs/dbraw/zinc/73/69/74/953736974.db2.gz URWFWZDUPSMTMQ-GFCCVEGCSA-N 0 1 297.318 1.708 20 30 CDEDMN N#CC[C@H](C(=O)N1CC[C@@H](c2nn[nH]n2)C1)c1ccccc1 ZINC001363214974 971987670 /nfs/dbraw/zinc/98/76/70/971987670.db2.gz ADLDKHMYZDFNJB-OLZOCXBDSA-N 0 1 296.334 1.213 20 30 CDEDMN CN(C)c1ccc(C#N)cc1C[N@H+]1CC[C@@](C)(C(=O)[O-])C1 ZINC001593711230 954189276 /nfs/dbraw/zinc/18/92/76/954189276.db2.gz SXWKLUFBIOYUOV-MRXNPFEDSA-N 0 1 287.363 1.921 20 30 CDEDMN C[C@@H]1[C@H](C)[N@H+](C[C@H](O)c2cccc(C#N)c2)CCN1C ZINC001363225944 971995751 /nfs/dbraw/zinc/99/57/51/971995751.db2.gz HDTFKQSXZMOOKN-WWGRRREGSA-N 0 1 273.380 1.616 20 30 CDEDMN Cn1ccc(NN=Cc2ccc([N+](=O)[O-])s2)n1 ZINC001326240767 954281758 /nfs/dbraw/zinc/28/17/58/954281758.db2.gz AMBMPQFSUASNPV-UHFFFAOYSA-N 0 1 251.271 1.836 20 30 CDEDMN Cc1c(C(=O)N[C@](C)(C#N)CN(C)C)ccc2cncn21 ZINC001326715949 954507922 /nfs/dbraw/zinc/50/79/22/954507922.db2.gz PQZVQZHBWHQTTD-OAHLLOKOSA-N 0 1 285.351 1.216 20 30 CDEDMN N#Cc1ccc(C2=CCN(Cc3nnc[nH]3)CC2)cc1 ZINC001327519910 954917289 /nfs/dbraw/zinc/91/72/89/954917289.db2.gz OPQKSGFFCAHNBM-UHFFFAOYSA-N 0 1 265.320 1.966 20 30 CDEDMN C#CCN(Cc1ccc(OC)c(OCC(N)=O)c1)C1CC1 ZINC001327945831 955126136 /nfs/dbraw/zinc/12/61/36/955126136.db2.gz NMFGLEQAECXGNB-UHFFFAOYSA-N 0 1 288.347 1.157 20 30 CDEDMN C=C(Cl)CNC1(CNC(=O)c2ccc(C)nn2)CCC1 ZINC001421744906 955518634 /nfs/dbraw/zinc/51/86/34/955518634.db2.gz FQFQTEGFLSRWCN-UHFFFAOYSA-N 0 1 294.786 1.780 20 30 CDEDMN COCC(=O)N(C)[C@@H](C)CNCc1ccc(C#N)cc1F ZINC001421851712 955594377 /nfs/dbraw/zinc/59/43/77/955594377.db2.gz MCBOIUXPHCACQW-NSHDSACASA-N 0 1 293.342 1.280 20 30 CDEDMN CCC(=O)NCCN(C)Cc1ccc(OC)c(C#N)c1 ZINC001492176632 955667439 /nfs/dbraw/zinc/66/74/39/955667439.db2.gz HCPAQQRVAIXHKM-UHFFFAOYSA-N 0 1 275.352 1.525 20 30 CDEDMN C[C@@H](NC(=O)Nc1cccc(CC#N)c1)c1nnc[nH]1 ZINC001365200221 955718218 /nfs/dbraw/zinc/71/82/18/955718218.db2.gz JIFDYGCEFXJRTJ-SECBINFHSA-N 0 1 270.296 1.753 20 30 CDEDMN C=C(Cl)CNC[C@@H](O)CNC(=O)C1(C)CCCC1 ZINC001422347426 955954182 /nfs/dbraw/zinc/95/41/82/955954182.db2.gz OIJAJNWTMKQSBW-LLVKDONJSA-N 0 1 274.792 1.386 20 30 CDEDMN C=C(Cl)CNC[C@@H](C)NC(=O)c1cn(C)nc1CC ZINC001422520124 956115287 /nfs/dbraw/zinc/11/52/87/956115287.db2.gz YNKJIBDNDFQGMN-SNVBAGLBSA-N 0 1 284.791 1.443 20 30 CDEDMN C[C@@H]1[C@H](NC(=O)C(=O)/C=C/c2ccc(F)cc2)CC[N@H+]1C ZINC001303802470 956120117 /nfs/dbraw/zinc/12/01/17/956120117.db2.gz XCXSNRZWANYXCD-AZLLNVJASA-N 0 1 290.338 1.617 20 30 CDEDMN C[C@@H]1[C@H](NC(=O)C(=O)/C=C/c2ccc(F)cc2)CCN1C ZINC001303802470 956120122 /nfs/dbraw/zinc/12/01/22/956120122.db2.gz XCXSNRZWANYXCD-AZLLNVJASA-N 0 1 290.338 1.617 20 30 CDEDMN C=C[C@H](COC)NC(=O)CN(C)CCc1ccccc1 ZINC001329856423 956143407 /nfs/dbraw/zinc/14/34/07/956143407.db2.gz BNIJYXJMASKLNE-OAHLLOKOSA-N 0 1 276.380 1.478 20 30 CDEDMN C=C[C@@H](COC)NC(=O)CN(C)CCc1ccccc1 ZINC001329856422 956145043 /nfs/dbraw/zinc/14/50/43/956145043.db2.gz BNIJYXJMASKLNE-HNNXBMFYSA-N 0 1 276.380 1.478 20 30 CDEDMN N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)CC1 ZINC001594604080 956159761 /nfs/dbraw/zinc/15/97/61/956159761.db2.gz NYWZMKGRMFLUAN-NWDGAFQWSA-N 0 1 266.341 1.228 20 30 CDEDMN N#CCCCCCC(=O)N1CC[C@H](c2nc[nH]n2)C1 ZINC001330452305 956430945 /nfs/dbraw/zinc/43/09/45/956430945.db2.gz IYIDAWJRLGKNHP-NSHDSACASA-N 0 1 261.329 1.595 20 30 CDEDMN CC(C)c1[nH+]ccn1CC(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC001363468076 972189913 /nfs/dbraw/zinc/18/99/13/972189913.db2.gz YHSYLPOJDJTDAL-UHFFFAOYSA-N 0 1 283.295 1.112 20 30 CDEDMN C=C(Cl)CN[C@H](CNC(=O)Cc1cncs1)C1CC1 ZINC001366031614 956524968 /nfs/dbraw/zinc/52/49/68/956524968.db2.gz HTZLKVSQSCEJMO-GFCCVEGCSA-N 0 1 299.827 1.923 20 30 CDEDMN C#CCNCC(=O)N[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC001339975450 956684143 /nfs/dbraw/zinc/68/41/43/956684143.db2.gz 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C[C@@H](C#N)C[N@@H+](C)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000825966613 601312253 /nfs/dbraw/zinc/31/22/53/601312253.db2.gz IHFXKSYLTGNQFA-GWCFXTLKSA-N 0 1 257.293 1.775 20 30 CDEDMN C#CC[C@H]1CC[N@H+](Cc2c(C)nn(CCC(=O)[O-])c2C)C1 ZINC001602701521 1175365598 /nfs/dbraw/zinc/36/55/98/1175365598.db2.gz MGMGESWVNCAMNU-AWEZNQCLSA-N 0 1 289.379 1.820 20 30 CDEDMN C#CCOc1ccccc1C[NH2+]C1CN(C(=O)[O-])C1 ZINC000823466492 604419791 /nfs/dbraw/zinc/41/97/91/604419791.db2.gz BLNJWADEPBSMDX-UHFFFAOYSA-N 0 1 260.293 1.150 20 30 CDEDMN C#CCOCC[N@@H+]1CCCC[C@H]1c1ccc(C(=O)[O-])n1C ZINC001602728338 1175377703 /nfs/dbraw/zinc/37/77/03/1175377703.db2.gz ROYLHEUPWDZSRT-AWEZNQCLSA-N 0 1 290.363 1.900 20 30 CDEDMN C=C(CCC(=O)[O-])C(=O)NC[C@@]12CC[N@@H+](C1)CCC2 ZINC001602782002 1175398661 /nfs/dbraw/zinc/39/86/61/1175398661.db2.gz HPHOTXDMDGBWRX-CQSZACIVSA-N 0 1 266.341 1.010 20 30 CDEDMN C=CC[C@H](C(=O)[O-])[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC001602835158 1175423039 /nfs/dbraw/zinc/42/30/39/1175423039.db2.gz KPRSYWSVXYKQTH-VXGBXAGGSA-N 0 1 282.384 1.629 20 30 CDEDMN C=CCC(F)(F)C(=O)N1CC[NH+](C(C)(C)C(=O)[O-])CC1 ZINC001602843108 1175429747 /nfs/dbraw/zinc/42/97/47/1175429747.db2.gz VLLDMVUZANPMLB-UHFFFAOYSA-N 0 1 290.310 1.205 20 30 CDEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@]23C[C@H]2CCCC3)C1 ZINC000972282936 613083499 /nfs/dbraw/zinc/08/34/99/613083499.db2.gz IMJBIAWTUSWNBI-IIAWOOMASA-N 0 1 260.381 1.733 20 30 CDEDMN C#C[C@H]1CCCCN1C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000890650987 617249643 /nfs/dbraw/zinc/24/96/43/617249643.db2.gz UTGWIZOAONWZQX-VIFPVBQESA-N 0 1 276.296 1.508 20 30 CDEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)C1=CCOCC1 ZINC000960256374 612970982 /nfs/dbraw/zinc/97/09/82/612970982.db2.gz FVRSTBFORDXLFU-IAGOWNOFSA-N 0 1 296.370 1.338 20 30 CDEDMN C#CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1C[C@@H]1C ZINC000960291532 612971359 /nfs/dbraw/zinc/97/13/59/612971359.db2.gz QHRZAGGBWZQUMB-DANNLKNASA-N 0 1 268.360 1.647 20 30 CDEDMN C#CCCN1C[C@@H](NC(=O)c2cnc(C)s2)C(C)(C)C1 ZINC000972853139 613032761 /nfs/dbraw/zinc/03/27/61/613032761.db2.gz JRMMCJBDRWQJGR-CYBMUJFWSA-N 0 1 291.420 1.915 20 30 CDEDMN C#CCCN1C[C@H](NC(=O)c2csnn2)C(C)(C)C1 ZINC000974910061 613038984 /nfs/dbraw/zinc/03/89/84/613038984.db2.gz XUKCPUVABBRGAC-NSHDSACASA-N 0 1 278.381 1.002 20 30 CDEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC000972375432 613082854 /nfs/dbraw/zinc/08/28/54/613082854.db2.gz DPRRGVPDTQERLH-RBSFLKMASA-N 0 1 262.397 1.835 20 30 CDEDMN C#CCN(C)[C@@H]1CCN(C(=O)[C@@H]2Cc3c(cccc3C)O2)C1 ZINC000972740723 613083155 /nfs/dbraw/zinc/08/31/55/613083155.db2.gz ROFHYUUCIZAGIU-PBHICJAKSA-N 0 1 298.386 1.464 20 30 CDEDMN C#CCN(C)[C@@H]1CCN(C(=O)c2csc(C3CC3)n2)C1 ZINC000980537381 613088025 /nfs/dbraw/zinc/08/80/25/613088025.db2.gz QINZTTMKYIRWQS-GFCCVEGCSA-N 0 1 289.404 1.800 20 30 CDEDMN C#CCN(C)[C@H]1CCN(C(=O)C2(C(F)F)CCCC2)C1 ZINC000972162808 613088877 /nfs/dbraw/zinc/08/88/77/613088877.db2.gz OSJFLHHMYCKQQR-LBPRGKRZSA-N 0 1 284.350 1.978 20 30 CDEDMN C#CCN(C)[C@H]1CCN(C(=O)Cc2ccccc2)C1 ZINC000971808446 613090956 /nfs/dbraw/zinc/09/09/56/613090956.db2.gz IYQRTYZRYPRHRF-HNNXBMFYSA-N 0 1 256.349 1.395 20 30 CDEDMN C#CCN(C)[C@H]1CCN(C(=O)c2ccc(F)nc2)C1 ZINC000971219061 613094885 /nfs/dbraw/zinc/09/48/85/613094885.db2.gz VVGRSTCSGGTSEP-LBPRGKRZSA-N 0 1 261.300 1.000 20 30 CDEDMN C#CCN(C)[C@H]1CCN(C(=O)c2cncc3[nH]ccc32)C1 ZINC000971865948 613096213 /nfs/dbraw/zinc/09/62/13/613096213.db2.gz KNCOFGXVHDNNJL-LBPRGKRZSA-N 0 1 282.347 1.342 20 30 CDEDMN C#CCN1CCC2(CC1)CN(C(=O)CCC1CC1)CCO2 ZINC000949053931 613139567 /nfs/dbraw/zinc/13/95/67/613139567.db2.gz PCQCHJOSOBBRNV-UHFFFAOYSA-N 0 1 290.407 1.503 20 30 CDEDMN C#CCN1CCCC2(CN(C(=O)[C@@H]3CC3(F)F)C2)C1 ZINC000981755754 613142123 /nfs/dbraw/zinc/14/21/23/613142123.db2.gz RORHFMOPCLCSPK-NSHDSACASA-N 0 1 268.307 1.199 20 30 CDEDMN C#CCN1CCCC2(CN(C(=O)c3csnc3C)C2)C1 ZINC000981723227 613145590 /nfs/dbraw/zinc/14/55/90/613145590.db2.gz MZJCNDREISOWJH-UHFFFAOYSA-N 0 1 289.404 1.623 20 30 CDEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1cc(C)no1 ZINC000968747047 613146817 /nfs/dbraw/zinc/14/68/17/613146817.db2.gz FUKDJXFJFIHUOT-CYBMUJFWSA-N 0 1 275.352 1.591 20 30 CDEDMN C#CCN1CCCCC[C@H]1CNC(=O)c1c(C)cnn1C ZINC000968994460 613148701 /nfs/dbraw/zinc/14/87/01/613148701.db2.gz UEKHCAUOBBDXSZ-AWEZNQCLSA-N 0 1 288.395 1.336 20 30 CDEDMN C#Cc1ccc(C(=O)N2CCN(CC3CCC3)CC2)cn1 ZINC000957381282 613170213 /nfs/dbraw/zinc/17/02/13/613170213.db2.gz KQGJVFJPJGQMQX-UHFFFAOYSA-N 0 1 283.375 1.621 20 30 CDEDMN C#CCN1CC[C@@H](C)[C@@H](NC(=O)Cc2occc2C)C1 ZINC000968238389 613214260 /nfs/dbraw/zinc/21/42/60/613214260.db2.gz ZBBAGGGVCDINET-OCCSQVGLSA-N 0 1 274.364 1.590 20 30 CDEDMN C#CCN1CC[C@@H](NC(=O)c2cncs2)C[C@@H]1C ZINC000947099975 613241184 /nfs/dbraw/zinc/24/11/84/613241184.db2.gz TVEMTQJLPCTLNE-WDEREUQCSA-N 0 1 263.366 1.359 20 30 CDEDMN C#CCN1CC[C@@H](NC(=O)c2cncs2)C[C@H]1C ZINC000947099972 613241431 /nfs/dbraw/zinc/24/14/31/613241431.db2.gz TVEMTQJLPCTLNE-GHMZBOCLSA-N 0 1 263.366 1.359 20 30 CDEDMN C#CCN1CC[C@@H](NC(=O)c2coc(OCC)n2)[C@H](C)C1 ZINC000942270718 613242832 /nfs/dbraw/zinc/24/28/32/613242832.db2.gz FXLGTTYIRPRHNR-VXGBXAGGSA-N 0 1 291.351 1.147 20 30 CDEDMN C=C(C)CCN1CCN(C(=O)[C@@]2(C)CCC(=O)NC2)CC1 ZINC000949793073 613259707 /nfs/dbraw/zinc/25/97/07/613259707.db2.gz MJPCRIMLCIICKG-INIZCTEOSA-N 0 1 293.411 1.013 20 30 CDEDMN C=C(C)CCN1CCN(C(=O)c2[nH]c(C)nc2C)CC1 ZINC000950565022 613261270 /nfs/dbraw/zinc/26/12/70/613261270.db2.gz NAEVGTRVEHSYAC-UHFFFAOYSA-N 0 1 276.384 1.751 20 30 CDEDMN C#CCN1CC[C@H](NC(=O)c2c[nH]nc2CCC)C[C@@H]1C ZINC000947479518 613265013 /nfs/dbraw/zinc/26/50/13/613265013.db2.gz NGZHREPDJMFLFR-STQMWFEESA-N 0 1 288.395 1.578 20 30 CDEDMN C#CCN1CC[C@H](NC(=O)c2cc3cccn3cn2)[C@H](C)C1 ZINC000942177651 613267149 /nfs/dbraw/zinc/26/71/49/613267149.db2.gz YEJXVIZENIYXJW-HIFRSBDPSA-N 0 1 296.374 1.408 20 30 CDEDMN C#CCN1CC[C@H](NC(=O)c2ccc3cc[nH]c3n2)[C@H](C)C1 ZINC000942147483 613269888 /nfs/dbraw/zinc/26/98/88/613269888.db2.gz KSIVHFQAWMPTPP-OCCSQVGLSA-N 0 1 296.374 1.636 20 30 CDEDMN C#CCN1CC[C@H](NC(=O)c2cn(CC)cn2)C[C@@H]1C ZINC000947934030 613273440 /nfs/dbraw/zinc/27/34/40/613273440.db2.gz IULCZWDTBAMWRT-STQMWFEESA-N 0 1 274.368 1.119 20 30 CDEDMN C#CCN1CC[C@H](NC(=O)c2occc2C)C[C@@H]1C ZINC000947055836 613278410 /nfs/dbraw/zinc/27/84/10/613278410.db2.gz BQMDNDSPFIGESB-STQMWFEESA-N 0 1 260.337 1.804 20 30 CDEDMN C#CCN1C[C@]2(C)CN(C(=O)c3n[nH]cc3C)C[C@]2(C)C1 ZINC000982277702 613294325 /nfs/dbraw/zinc/29/43/25/613294325.db2.gz UWEPCSJOKPFMBW-IYBDPMFKSA-N 0 1 286.379 1.135 20 30 CDEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2cncs2)C1 ZINC000969359616 613300998 /nfs/dbraw/zinc/30/09/98/613300998.db2.gz WNXYNNNOUMXMHH-SNVBAGLBSA-N 0 1 265.382 1.769 20 30 CDEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2cn(C(C)C)nn2)C1 ZINC000970658322 613301000 /nfs/dbraw/zinc/30/10/00/613301000.db2.gz XWFHCKJADOBBHL-GFCCVEGCSA-N 0 1 291.399 1.485 20 30 CDEDMN C=C(C)CN1CC([C@@H](C)NC(=O)c2coc(CC)n2)C1 ZINC000969516807 613301322 /nfs/dbraw/zinc/30/13/22/613301322.db2.gz DXXFQYJCPSYORB-LLVKDONJSA-N 0 1 277.368 1.863 20 30 CDEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2cn3cccnc3n2)C1 ZINC000970048564 613303786 /nfs/dbraw/zinc/30/37/86/613303786.db2.gz VKFXPIZRTNISQQ-LBPRGKRZSA-N 0 1 299.378 1.356 20 30 CDEDMN C=C(C)CN1CC([C@H](C)NC(=O)c2ncoc2C)C1 ZINC000969361629 613304482 /nfs/dbraw/zinc/30/44/82/613304482.db2.gz KPMPJUIKAJIRFB-JTQLQIEISA-N 0 1 263.341 1.609 20 30 CDEDMN C=C(C)CN1CCCN(C(=O)c2cn(CCC)nn2)CC1 ZINC000983046587 613312497 /nfs/dbraw/zinc/31/24/97/613312497.db2.gz DSEWOUTZAIGJKO-UHFFFAOYSA-N 0 1 291.399 1.412 20 30 CDEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)c1ccco1 ZINC000961746233 613316180 /nfs/dbraw/zinc/31/61/80/613316180.db2.gz UGZGNOPWSTVGDL-NMKXLXIOSA-N 0 1 258.321 1.063 20 30 CDEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1ccccc1F ZINC000962003964 613316312 /nfs/dbraw/zinc/31/63/12/613316312.db2.gz SCZJMINTLMJSJT-LVNYTYFRSA-N 0 1 298.361 1.609 20 30 CDEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(F)s1 ZINC000962976506 613319357 /nfs/dbraw/zinc/31/93/57/613319357.db2.gz QAOJPAGTODNMKY-GDGBQDQQSA-N 0 1 264.325 1.180 20 30 CDEDMN C=C(C)CN1CCN(C(=O)[C@H]2CCc3[nH]cnc3C2)CC1 ZINC000957104933 613319597 /nfs/dbraw/zinc/31/95/97/613319597.db2.gz NBJIDFATNWITHE-ZDUSSCGKSA-N 0 1 288.395 1.235 20 30 CDEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncc2ccccc21 ZINC000962726497 613321447 /nfs/dbraw/zinc/32/14/47/613321447.db2.gz LWOIGPCBLRQOJV-FVQHAEBGSA-N 0 1 291.354 1.528 20 30 CDEDMN C=C(C)CN1CC[C@@H](C)[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC000965183694 613324507 /nfs/dbraw/zinc/32/45/07/613324507.db2.gz UCKHMPJQHRNHPW-YPMHNXCESA-N 0 1 262.357 1.426 20 30 CDEDMN C=C(C)CN1CC[C@H](C)[C@@H](NC(=O)c2cc(CC)n[nH]2)C1 ZINC000965268585 613332396 /nfs/dbraw/zinc/33/23/96/613332396.db2.gz MXGJLXYPRGLATE-WFASDCNBSA-N 0 1 290.411 1.988 20 30 CDEDMN C=C(C)CN1CC[C@H](C)[C@H](NC(=O)c2ocnc2C)C1 ZINC000965852318 613334569 /nfs/dbraw/zinc/33/45/69/613334569.db2.gz VPMWYUPQYFNETF-WCQYABFASA-N 0 1 277.368 1.999 20 30 CDEDMN C=C(Cl)CN1CCCN(C(=O)c2cnc(C)[nH]2)CC1 ZINC000980842774 613374013 /nfs/dbraw/zinc/37/40/13/613374013.db2.gz LWHCNOCFHMECAI-UHFFFAOYSA-N 0 1 282.775 1.619 20 30 CDEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)c2coc(OC)n2)C1 ZINC000969480733 613386129 /nfs/dbraw/zinc/38/61/29/613386129.db2.gz ZIAIOQJZPOQFLA-SECBINFHSA-N 0 1 285.731 1.240 20 30 CDEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2nocc2C)C[C@@H]1C ZINC000939479887 613387095 /nfs/dbraw/zinc/38/70/95/613387095.db2.gz MCALKLCKUMDLCJ-KWQFWETISA-N 0 1 283.759 1.786 20 30 CDEDMN C=C1CC(C)(C(=O)N(C)C2CN(C(=O)c3ccn[nH]3)C2)C1 ZINC000955253891 613392927 /nfs/dbraw/zinc/39/29/27/613392927.db2.gz QTVVHDVRQSRTOX-UHFFFAOYSA-N 0 1 288.351 1.049 20 30 CDEDMN C=CCCN1CCN(C(=O)[C@H]2CCO[C@@H](C)C2)CC1 ZINC000952440348 613508480 /nfs/dbraw/zinc/50/84/80/613508480.db2.gz YAEWUWJUBNDLFY-KBPBESRZSA-N 0 1 266.385 1.522 20 30 CDEDMN C=CCCN1CCN(C(=O)c2nncc3ccccc32)CC1 ZINC000949243275 613512822 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575249378 /nfs/dbraw/zinc/24/93/78/575249378.db2.gz XBIKMOUOXZDTAC-CYBMUJFWSA-N 0 1 274.364 1.874 20 30 CDEDMN N#CCCCOC(=O)c1ccc(-c2nnc[nH]2)cc1 ZINC000770563602 575468132 /nfs/dbraw/zinc/46/81/32/575468132.db2.gz ACQMTCINEUZPPA-UHFFFAOYSA-N 0 1 256.265 1.932 20 30 CDEDMN C#CC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)[O-] ZINC000736080809 575555879 /nfs/dbraw/zinc/55/58/79/575555879.db2.gz YFKCLYGHXZFUTN-ZDUSSCGKSA-N 0 1 289.331 1.711 20 30 CDEDMN C#CC[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1CC(=O)[O-] ZINC000736080809 575555880 /nfs/dbraw/zinc/55/58/80/575555880.db2.gz YFKCLYGHXZFUTN-ZDUSSCGKSA-N 0 1 289.331 1.711 20 30 CDEDMN C#CCN1CCC(C(=O)O[C@@H](C)c2nc(C)no2)CC1 ZINC000772114777 575662397 /nfs/dbraw/zinc/66/23/97/575662397.db2.gz AYGQEACCFRVXHB-JTQLQIEISA-N 0 1 277.324 1.327 20 30 CDEDMN C[C@@H](C[N@@H+](C)Cc1ccc(OCC#N)cc1)C(=O)[O-] ZINC000736576592 575695248 /nfs/dbraw/zinc/69/52/48/575695248.db2.gz DYQOCCGAMLNKBM-NSHDSACASA-N 0 1 262.309 1.741 20 30 CDEDMN C[C@@H](C#N)C(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC000736672193 575716443 /nfs/dbraw/zinc/71/64/43/575716443.db2.gz IZISQQQHSKFHPV-VIFPVBQESA-N 0 1 255.281 1.248 20 30 CDEDMN C[C@@H](C#N)C(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC000736672193 575716444 /nfs/dbraw/zinc/71/64/44/575716444.db2.gz IZISQQQHSKFHPV-VIFPVBQESA-N 0 1 255.281 1.248 20 30 CDEDMN C=CC[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccncc1 ZINC000764278915 575896807 /nfs/dbraw/zinc/89/68/07/575896807.db2.gz GCFHLSTUVXVDLA-JTQLQIEISA-N 0 1 287.279 1.760 20 30 CDEDMN CN(C)[C@@H]1CCC[N@@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000737359242 575946416 /nfs/dbraw/zinc/94/64/16/575946416.db2.gz OVALOJRTPMJTOR-CABCVRRESA-N 0 1 287.363 1.710 20 30 CDEDMN CN(C)[C@@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000737359242 575946417 /nfs/dbraw/zinc/94/64/17/575946417.db2.gz OVALOJRTPMJTOR-CABCVRRESA-N 0 1 287.363 1.710 20 30 CDEDMN CCCn1cc(C(=O)C(C#N)C(=O)Nc2ccccn2)nn1 ZINC000766616952 576116080 /nfs/dbraw/zinc/11/60/80/576116080.db2.gz 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/nfs/dbraw/zinc/39/81/11/682398111.db2.gz QADIRQCBMVLGHZ-NSHDSACASA-N 0 1 294.786 1.291 20 30 CDEDMN C#CCCN1CC[C@@H](NC(=O)c2ccc(C)nc2OC)C1 ZINC001015803320 682425079 /nfs/dbraw/zinc/42/50/79/682425079.db2.gz MADZNRCFDJLQHP-CYBMUJFWSA-N 0 1 287.363 1.226 20 30 CDEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c([nH]1)CCC2 ZINC001039458175 682431778 /nfs/dbraw/zinc/43/17/78/682431778.db2.gz ILNLMLMPUZXPBA-CABCVRRESA-N 0 1 297.402 1.816 20 30 CDEDMN CC#CCN1CCC[C@@H](NC(=O)c2cccc(C)n2)[C@@H]1C ZINC000993069305 682449880 /nfs/dbraw/zinc/44/98/80/682449880.db2.gz KDFLNJUTPRUENG-LSDHHAIUSA-N 0 1 285.391 1.996 20 30 CDEDMN C[C@@H]1CC(=NC(=O)c2cc(-c3ccccc3)nn2C)NO1 ZINC000827497016 682450143 /nfs/dbraw/zinc/45/01/43/682450143.db2.gz QVGIINRKZCNOTP-SNVBAGLBSA-N 0 1 284.319 1.939 20 30 CDEDMN C=CCN1CC[C@@H](N(CC)C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001033902685 682450657 /nfs/dbraw/zinc/45/06/57/682450657.db2.gz NYVPMPFQHLMWAH-XUWVNRHRSA-N 0 1 292.423 1.910 20 30 CDEDMN CCc1nc(C)c(C(C)=NNC2=NC[C@H](C)N2)s1 ZINC000779804233 682453412 /nfs/dbraw/zinc/45/34/12/682453412.db2.gz CANCAOVZBFWRGY-ZETCQYMHSA-N 0 1 265.386 1.675 20 30 CDEDMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCCO1 ZINC001032292011 682460428 /nfs/dbraw/zinc/46/04/28/682460428.db2.gz BIORWBBUVQFHCK-KKUMJFAQSA-N 0 1 276.380 1.254 20 30 CDEDMN C=CCN1CCC[C@H](NC(=O)c2ncccc2F)[C@H]1C ZINC000994089497 682462159 /nfs/dbraw/zinc/46/21/59/682462159.db2.gz CHBHKTMTYRSZNM-YPMHNXCESA-N 0 1 277.343 1.989 20 30 CDEDMN C=CCn1cccc1C(=O)NC1CN(CC2CCC2)C1 ZINC001030447822 682462572 /nfs/dbraw/zinc/46/25/72/682462572.db2.gz NINQLKWRPZAENC-UHFFFAOYSA-N 0 1 273.380 1.888 20 30 CDEDMN C#C[C@@H](NCc1ccc2nccnc2c1)[C@@H]1CCCO1 ZINC000873108026 682467053 /nfs/dbraw/zinc/46/70/53/682467053.db2.gz BEXWLEMGWYCINJ-CJNGLKHVSA-N 0 1 267.332 1.900 20 30 CDEDMN C=CC1CCN(C(=O)NCCCc2nc[nH]n2)CC1 ZINC000923143565 682479609 /nfs/dbraw/zinc/47/96/09/682479609.db2.gz RRALBVFZGFXQAJ-UHFFFAOYSA-N 0 1 263.345 1.345 20 30 CDEDMN C#CCC[NH+]1CCC2(C[C@H]2NC(=O)c2ncccc2[O-])CC1 ZINC001016590733 682496276 /nfs/dbraw/zinc/49/62/76/682496276.db2.gz JYMSGRDBTHBUGJ-CQSZACIVSA-N 0 1 299.374 1.395 20 30 CDEDMN CC#CCN1CC[C@@H](N(C)C(=O)c2ccc3[nH]ccc3n2)C1 ZINC001033265874 682497909 /nfs/dbraw/zinc/49/79/09/682497909.db2.gz DOGGRKJVVPEFRQ-CYBMUJFWSA-N 0 1 296.374 1.733 20 30 CDEDMN C#CCN1CC[C@@]2(NC(=O)c3oncc3C)CCC[C@H]12 ZINC000992372255 682502931 /nfs/dbraw/zinc/50/29/31/682502931.db2.gz VFGQXRBVYIWULY-WFASDCNBSA-N 0 1 273.336 1.343 20 30 CDEDMN C=CCN1CC[C@@H](N(CC)C(=O)c2ccncn2)C1 ZINC001033988720 682503551 /nfs/dbraw/zinc/50/35/51/682503551.db2.gz OYZMEKHZEBYQAU-GFCCVEGCSA-N 0 1 260.341 1.199 20 30 CDEDMN N#C[C@H]1CNC[C@@H]1NC(=O)c1cncc2ccccc21 ZINC000852875195 682514041 /nfs/dbraw/zinc/51/40/41/682514041.db2.gz HBIVIXUKZOKEEB-FZMZJTMJSA-N 0 1 266.304 1.076 20 30 CDEDMN C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]ccc1C ZINC001039368792 682553788 /nfs/dbraw/zinc/55/37/88/682553788.db2.gz IYDGDRDCZJBXRK-KGLIPLIRSA-N 0 1 271.364 1.635 20 30 CDEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]ccc1C ZINC001039368792 682553794 /nfs/dbraw/zinc/55/37/94/682553794.db2.gz IYDGDRDCZJBXRK-KGLIPLIRSA-N 0 1 271.364 1.635 20 30 CDEDMN C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C1CC1)[NH+](C)C ZINC001017616314 682555677 /nfs/dbraw/zinc/55/56/77/682555677.db2.gz AAEHZLKPXBVVDP-XHSDSOJGSA-N 0 1 291.439 1.578 20 30 CDEDMN CC(C)N(C)c1ccc(C=NN2CCC[C@@H]2CO)cn1 ZINC000841658152 682590779 /nfs/dbraw/zinc/59/07/79/682590779.db2.gz WUCIDFYSXHGXFQ-CQSZACIVSA-N 0 1 276.384 1.717 20 30 CDEDMN C#CCN1C[C@@H]2CCN(C(=O)C3C(C)(C)C3(C)C)[C@@H]2C1 ZINC001075651451 682595505 /nfs/dbraw/zinc/59/55/05/682595505.db2.gz DEMJUSRNKCUSSE-QWHCGFSZSA-N 0 1 274.408 1.835 20 30 CDEDMN C#CCN1CC[C@H]2[C@H]1CCCN2C(=O)COc1ccccc1 ZINC001049863472 682599483 /nfs/dbraw/zinc/59/94/83/682599483.db2.gz MLKRTOSWVPBOEC-SJORKVTESA-N 0 1 298.386 1.764 20 30 CDEDMN N#Cc1csc(CNC(=O)[C@@H]2CCCc3[nH]ncc32)n1 ZINC000887982148 682606583 /nfs/dbraw/zinc/60/65/83/682606583.db2.gz VHGMXRCEULLOMQ-SECBINFHSA-N 0 1 287.348 1.474 20 30 CDEDMN N#Cc1ccc(OC[C@H](O)CN2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000844452682 682616259 /nfs/dbraw/zinc/61/62/59/682616259.db2.gz XDEBRDZJMJGZMN-BNOWGMLFSA-N 0 1 294.301 1.495 20 30 CDEDMN C#CCN1CCCC[C@H]1CNC(=O)c1[nH]c(C)cc1C ZINC001024510476 682624532 /nfs/dbraw/zinc/62/45/32/682624532.db2.gz OFPBFJZLXXPULH-AWEZNQCLSA-N 0 1 273.380 1.849 20 30 CDEDMN C#CCN1CC[C@](C)(NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1 ZINC001046499097 682631169 /nfs/dbraw/zinc/63/11/69/682631169.db2.gz OLNZOAZJUHCNLJ-AYDFFVQHSA-N 0 1 276.380 1.015 20 30 CDEDMN C=CCN1CC(CNC(=O)c2cnn(CCCC)c2C)C1 ZINC001032115914 682638766 /nfs/dbraw/zinc/63/87/66/682638766.db2.gz IAHQDXLUXGUENV-UHFFFAOYSA-N 0 1 290.411 1.839 20 30 CDEDMN CC#CCN1CC[C@H](N(C)C(=O)c2ccccc2)C1 ZINC001032885798 682646410 /nfs/dbraw/zinc/64/64/10/682646410.db2.gz UXSBLUUSGBVLJU-HNNXBMFYSA-N 0 1 256.349 1.856 20 30 CDEDMN Cc1cc(NC(=O)[C@@H]2CCCN2C(C)C)nn1CCC#N ZINC000935182185 682656112 /nfs/dbraw/zinc/65/61/12/682656112.db2.gz BAXVNGGTZWEFKK-ZDUSSCGKSA-N 0 1 289.383 1.917 20 30 CDEDMN C=CCN1CC[C@@H](NC(=O)c2ccc3cc[nH]c3n2)C1 ZINC001014812404 682663426 /nfs/dbraw/zinc/66/34/26/682663426.db2.gz RTGSYIQDVHEOCS-GFCCVEGCSA-N 0 1 270.336 1.553 20 30 CDEDMN C#CCOc1ncccc1C(=O)NC[C@@H]1CCN1C(C)C ZINC001038928174 682665216 /nfs/dbraw/zinc/66/52/16/682665216.db2.gz KXQSWBROOPMFHI-ZDUSSCGKSA-N 0 1 287.363 1.306 20 30 CDEDMN C[C@H](C#N)C(=O)N1CCC[C@H]1CN(C)Cc1cccnc1 ZINC000960494735 682678187 /nfs/dbraw/zinc/67/81/87/682678187.db2.gz NXCHCCJKNYCAKD-HIFRSBDPSA-N 0 1 286.379 1.664 20 30 CDEDMN Cc1[nH]c2ccccc2c1C=NNC1=NC[C@@H](C)N1 ZINC000779801668 682683619 /nfs/dbraw/zinc/68/36/19/682683619.db2.gz VZZRIZVAGQCIQB-SECBINFHSA-N 0 1 255.325 1.748 20 30 CDEDMN CC#CCN1CC[C@](C)(NC(=O)c2[nH]nc3ccccc32)C1 ZINC001046812215 682695250 /nfs/dbraw/zinc/69/52/50/682695250.db2.gz SZMLHBOCNMQWLB-KRWDZBQOSA-N 0 1 296.374 1.780 20 30 CDEDMN C[C@@H](C#N)OCCN1CCN(CCc2ccncc2)CC1 ZINC000931342494 682695909 /nfs/dbraw/zinc/69/59/09/682695909.db2.gz HBVPOOHDCQFQMT-HNNXBMFYSA-N 0 1 288.395 1.170 20 30 CDEDMN C#CCCN1CC[C@@H](N(CC)C(=O)c2snnc2C)C1 ZINC001033748071 682699255 /nfs/dbraw/zinc/69/92/55/682699255.db2.gz RANRUVTUQSGUSU-GFCCVEGCSA-N 0 1 292.408 1.406 20 30 CDEDMN Cc1c(Cl)cccc1NC(=O)N[C@@H]1CNC[C@@H]1C#N ZINC000841005612 682702757 /nfs/dbraw/zinc/70/27/57/682702757.db2.gz FFHMBDFBQLYXAI-JOYOIKCWSA-N 0 1 278.743 1.882 20 30 CDEDMN CN(C)Cc1ccoc1C(=O)N1CCC[C@H](NCC#N)C1 ZINC001000025645 682715059 /nfs/dbraw/zinc/71/50/59/682715059.db2.gz LEGYIBDRUUISGD-ZDUSSCGKSA-N 0 1 290.367 1.059 20 30 CDEDMN C=CCN1C[C@@H]2CCN(C(=O)c3c(Cl)cnn3C)[C@@H]2C1 ZINC001075799549 682716397 /nfs/dbraw/zinc/71/63/97/682716397.db2.gz FPXSWTBNRBPWKP-CMPLNLGQSA-N 0 1 294.786 1.406 20 30 CDEDMN C=CCN1CCC[C@@H](NC(=O)c2ccncn2)[C@@H]1C ZINC000994019493 682721817 /nfs/dbraw/zinc/72/18/17/682721817.db2.gz HLWDTHHPAZUPHT-NWDGAFQWSA-N 0 1 260.341 1.245 20 30 CDEDMN CC#CCN1CCC(N(C)C(=O)c2[nH]c(C)nc2C)CC1 ZINC001006009966 682747153 /nfs/dbraw/zinc/74/71/53/682747153.db2.gz ZIKFOIROPKADCM-UHFFFAOYSA-N 0 1 288.395 1.586 20 30 CDEDMN C=CCN1CC[C@@](C)(NC(=O)c2conc2CC)C1 ZINC001046597410 682783787 /nfs/dbraw/zinc/78/37/87/682783787.db2.gz INSICYJSAJQIPZ-CQSZACIVSA-N 0 1 263.341 1.617 20 30 CDEDMN CC(=O)N1CC[C@H](NCc2cc(C#N)ccc2F)C1 ZINC001018383534 682801571 /nfs/dbraw/zinc/80/15/71/682801571.db2.gz GCEFDPBXYZTYKJ-ZDUSSCGKSA-N 0 1 261.300 1.408 20 30 CDEDMN CCCN(C(=O)C#Cc1ccccc1)[C@H]1CCN(C)C1 ZINC000843986809 682802076 /nfs/dbraw/zinc/80/20/76/682802076.db2.gz AJSOJBREVCEITN-INIZCTEOSA-N 0 1 270.376 1.981 20 30 CDEDMN N#CC1(COC(=O)c2ccc3c(C=O)[nH]nc3c2)CC1 ZINC000775877912 682815497 /nfs/dbraw/zinc/81/54/97/682815497.db2.gz PHCAUUCMDCLYBK-UHFFFAOYSA-N 0 1 269.260 1.836 20 30 CDEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)c1cccc(N2CCCC2)c1 ZINC000852827956 682820881 /nfs/dbraw/zinc/82/08/81/682820881.db2.gz QTTKBYLASVQESG-HIFRSBDPSA-N 0 1 284.363 1.128 20 30 CDEDMN CCC(=NNC1=NC[C@H](C)N1)c1ccc(N(C)C)cc1 ZINC000779805550 682821054 /nfs/dbraw/zinc/82/10/54/682821054.db2.gz OLJMCTIMMBZOBP-NSHDSACASA-N 0 1 273.384 1.804 20 30 CDEDMN C=CCNC(=O)[C@@H](C)N(C)C[C@](C)(O)c1ccccc1 ZINC000823585823 682823387 /nfs/dbraw/zinc/82/33/87/682823387.db2.gz RLQKEFQMJXHPHW-CJNGLKHVSA-N 0 1 276.380 1.517 20 30 CDEDMN C#CCN1CCC(N(C)C(=O)c2ccn3ccnc3c2)CC1 ZINC001005707016 682824653 /nfs/dbraw/zinc/82/46/53/682824653.db2.gz FKMRUUTWJKFQHY-UHFFFAOYSA-N 0 1 296.374 1.504 20 30 CDEDMN C=C(CO)C(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000791344364 682825556 /nfs/dbraw/zinc/82/55/56/682825556.db2.gz LATNXOKSNUJALU-ZDUSSCGKSA-N 0 1 278.352 1.390 20 30 CDEDMN COc1cnc2ccccc2c1C(=O)N[C@@H]1CNC[C@H]1C#N ZINC000834499294 682826743 /nfs/dbraw/zinc/82/67/43/682826743.db2.gz GXMWMKRMPDLCKT-ZWNOBZJWSA-N 0 1 296.330 1.085 20 30 CDEDMN CC(C)(C)c1nc(CN2CCN(CCC#N)CC2)n[nH]1 ZINC000590115369 682827154 /nfs/dbraw/zinc/82/71/54/682827154.db2.gz OKLNMFBFPNPMPD-UHFFFAOYSA-N 0 1 276.388 1.133 20 30 CDEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cccnc1 ZINC001024301191 682831216 /nfs/dbraw/zinc/83/12/16/682831216.db2.gz VTIKZNSZBTUOLZ-AWEZNQCLSA-N 0 1 259.353 1.852 20 30 CDEDMN C#C[C@@H](NC(=O)c1cc(F)cc2nc[nH]c21)[C@H]1CCCO1 ZINC000775328452 682831801 /nfs/dbraw/zinc/83/18/01/682831801.db2.gz ZKQMQMORNFCGOV-DGCLKSJQSA-N 0 1 287.294 1.613 20 30 CDEDMN CC#CCN1CCCC[C@H](NC(=O)c2nccc(C)n2)C1 ZINC001034186760 682833647 /nfs/dbraw/zinc/83/36/47/682833647.db2.gz KHUNPDBKRIBDTF-AWEZNQCLSA-N 0 1 286.379 1.393 20 30 CDEDMN C[C@]1(C#N)CN(C(=O)c2nc[nH]c2C(F)(F)F)CCO1 ZINC000887690164 682835318 /nfs/dbraw/zinc/83/53/18/682835318.db2.gz HLAQTRBTKZARJJ-JTQLQIEISA-N 0 1 288.229 1.183 20 30 CDEDMN C#CCCN1C[C@@H](NC(=O)c2ccns2)CC[C@@H]1C ZINC001071547861 682836277 /nfs/dbraw/zinc/83/62/77/682836277.db2.gz YTHGKJJSUKFVTL-RYUDHWBXSA-N 0 1 277.393 1.749 20 30 CDEDMN C#CC[N@@H+]1CC[C@](C)(NC(=O)c2cc[nH]c2C(C)C)C1 ZINC001046563453 682837421 /nfs/dbraw/zinc/83/74/21/682837421.db2.gz NPRAAVYNMLFBCM-INIZCTEOSA-N 0 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CC#CCN1C[C@@H](C)[C@H](NC(=O)c2cnc3[nH]ccc3c2)C1 ZINC001079907954 924446767 /nfs/dbraw/zinc/44/67/67/924446767.db2.gz ATFHCBIJTQKNDY-IUODEOHRSA-N 0 1 296.374 1.588 20 30 CDEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2cn3ccc(C)cc3n2)C1 ZINC001080063074 924480235 /nfs/dbraw/zinc/48/02/35/924480235.db2.gz NOONOPWHOGCDOE-ZIAGYGMSSA-N 0 1 298.390 1.879 20 30 CDEDMN C=CCN1C[C@@H](C)[C@H](NC(=O)c2ccc3ccncc3n2)C1 ZINC001080141128 924489620 /nfs/dbraw/zinc/48/96/20/924489620.db2.gz WGCYPHABJRLYSY-MLGOLLRUSA-N 0 1 296.374 1.866 20 30 CDEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001080177434 924498647 /nfs/dbraw/zinc/49/86/47/924498647.db2.gz LFJJXUNRJAVBCB-DGXTUMSLSA-N 0 1 274.408 1.882 20 30 CDEDMN C#CCN1C[C@@H](C)[C@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC001080206115 924502198 /nfs/dbraw/zinc/50/21/98/924502198.db2.gz JMCANPSLOMIIAR-TZMCWYRMSA-N 0 1 260.381 1.636 20 30 CDEDMN C=CCOCCN1CCCN(C(=O)c2cscn2)CC1 ZINC001195211003 924502585 /nfs/dbraw/zinc/50/25/85/924502585.db2.gz 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C=C(C)CN1C[C@@H](NC(=O)Cc2occc2C)[C@H](OC)C1 ZINC001082114536 924867851 /nfs/dbraw/zinc/86/78/51/924867851.db2.gz MTJYPTVWDICSAD-UKRRQHHQSA-N 0 1 292.379 1.522 20 30 CDEDMN C=C(C)CN1C[C@@H](O)[C@H](NC(=O)[C@H](C)C(C)C)C1 ZINC001196558990 924939687 /nfs/dbraw/zinc/93/96/87/924939687.db2.gz CSYADESVWNANAA-JHJVBQTASA-N 0 1 254.374 1.016 20 30 CDEDMN Cc1[nH]ncc1C(=O)N1CCc2cc(C#N)ccc21 ZINC001142045699 936967369 /nfs/dbraw/zinc/96/73/69/936967369.db2.gz HJTPIGQDGGJVHK-UHFFFAOYSA-N 0 1 252.277 1.793 20 30 CDEDMN C#CCCN1C[C@H]2OCCN(C(=O)[C@H]3CC=CCC3)[C@H]2C1 ZINC001082997274 925067856 /nfs/dbraw/zinc/06/78/56/925067856.db2.gz RACRDAIXYXYPDY-HRCADAONSA-N 0 1 288.391 1.278 20 30 CDEDMN C#CCCN1CC[C@@H]2CN(C(=O)c3ccsc3)[C@@H]2C1 ZINC001084176092 925171657 /nfs/dbraw/zinc/17/16/57/925171657.db2.gz IKYIWEQXYBLDSE-TZMCWYRMSA-N 0 1 274.389 1.918 20 30 CDEDMN C#CCCN1CC[C@@H]2CN(C(=O)c3ccncc3F)[C@@H]2C1 ZINC001084249065 925188866 /nfs/dbraw/zinc/18/88/66/925188866.db2.gz HYCQDPGJCPKOCJ-IUODEOHRSA-N 0 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/nfs/dbraw/zinc/37/63/19/925376319.db2.gz ABKQBACAXOXDKU-YYIAUSFCSA-N 0 1 286.419 1.979 20 30 CDEDMN Cc1ncc(S(=O)(=O)Nc2ccc(CC#N)cc2)n1C ZINC001198392815 925423211 /nfs/dbraw/zinc/42/32/11/925423211.db2.gz ZQUXEZPIKDTMBQ-UHFFFAOYSA-N 0 1 290.348 1.595 20 30 CDEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)c3cnn4cc[nH]c34)[C@@H]2C1 ZINC001084797432 925430457 /nfs/dbraw/zinc/43/04/57/925430457.db2.gz WNFPKACFFSJPAQ-TZMCWYRMSA-N 0 1 299.378 1.385 20 30 CDEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@H]3Cc4cccnc4C3)[C@@H]2C1 ZINC001084798313 925430480 /nfs/dbraw/zinc/43/04/80/925430480.db2.gz JWLKYMMVPNACQN-BFYDXBDKSA-N 0 1 297.402 1.515 20 30 CDEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@H](C)C3CCOCC3)[C@@H]2C1 ZINC001084873540 925472216 /nfs/dbraw/zinc/47/22/16/925472216.db2.gz KOYVJJJCPGSHTQ-NUEKZKHPSA-N 0 1 292.423 1.768 20 30 CDEDMN C=CCC(CC=C)C(=O)N[C@@H]1CCN(CC#CC)C[C@H]1O ZINC001099848817 925498828 /nfs/dbraw/zinc/49/88/28/925498828.db2.gz YOYCXKHVVMRJLN-HZPDHXFCSA-N 0 1 290.407 1.330 20 30 CDEDMN C=CCCC(=O)NC[C@@H]1CN(CC(=O)NC(C)C)C[C@H]1C ZINC001101805474 937014446 /nfs/dbraw/zinc/01/44/46/937014446.db2.gz RJICQGDYDWXZJG-ZIAGYGMSSA-N 0 1 295.427 1.161 20 30 CDEDMN CCOCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)C#CC(C)(C)C)C2 ZINC001110531877 925710590 /nfs/dbraw/zinc/71/05/90/925710590.db2.gz QRJGILCGBMEACG-KFWWJZLASA-N 0 1 292.423 1.794 20 30 CDEDMN C=CCCC(=O)N1CCC(NCc2cnn(CC)n2)CC1 ZINC001199726036 925831768 /nfs/dbraw/zinc/83/17/68/925831768.db2.gz MNYVXHSUNROEGM-UHFFFAOYSA-N 0 1 291.399 1.345 20 30 CDEDMN C=C(C)CN1CC[C@]2(CCN(Cc3nnc(C)o3)C2)C1=O ZINC001273792381 925901664 /nfs/dbraw/zinc/90/16/64/925901664.db2.gz QVQAONKQYCSKSO-HNNXBMFYSA-N 0 1 290.367 1.379 20 30 CDEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cc(C)n[nH]1 ZINC001085503457 926089563 /nfs/dbraw/zinc/08/95/63/926089563.db2.gz XQXKQOMMDQDUSL-LBPRGKRZSA-N 0 1 262.357 1.441 20 30 CDEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)c1cc(C)[nH]n1 ZINC001085503457 926089571 /nfs/dbraw/zinc/08/95/71/926089571.db2.gz XQXKQOMMDQDUSL-LBPRGKRZSA-N 0 1 262.357 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ZINC000878820734 687023590 /nfs/dbraw/zinc/02/35/90/687023590.db2.gz DNQZTQXJQHHWJF-SECBINFHSA-N 0 1 295.293 1.160 20 30 CDEDMN CCCCCCCN1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000778954168 687024333 /nfs/dbraw/zinc/02/43/33/687024333.db2.gz FPRDZPXHGXIMDR-LLVKDONJSA-N 0 1 253.346 1.193 20 30 CDEDMN CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccn(C)n1 ZINC001049902937 687024951 /nfs/dbraw/zinc/02/49/51/687024951.db2.gz VQVVUFWGMJONDS-LSDHHAIUSA-N 0 1 286.379 1.122 20 30 CDEDMN CC#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccn(C)n1 ZINC001049902937 687024953 /nfs/dbraw/zinc/02/49/53/687024953.db2.gz VQVVUFWGMJONDS-LSDHHAIUSA-N 0 1 286.379 1.122 20 30 CDEDMN C#CCN1CC[C@H]2CCN(C(=O)C(F)=C(C)C)C[C@@H]21 ZINC001042014631 687027455 /nfs/dbraw/zinc/02/74/55/687027455.db2.gz VLRDPFYSIRLOBH-STQMWFEESA-N 0 1 264.344 1.806 20 30 CDEDMN CN1CCC[C@@H]1C(=O)N[C@H]1C[C@H](Nc2ccc(C#N)nc2)C1 ZINC001059167043 687029341 /nfs/dbraw/zinc/02/93/41/687029341.db2.gz CAQMENZJTYHTAX-RBSFLKMASA-N 0 1 299.378 1.107 20 30 CDEDMN C#CCN1CC[C@@](C)(NC(=O)c2cccn2C(C)C)C1 ZINC001046839809 687035407 /nfs/dbraw/zinc/03/54/07/687035407.db2.gz WMDPATBQNLPAKI-MRXNPFEDSA-N 0 1 273.380 1.896 20 30 CDEDMN C=CC[N@@H+]1CCC[C@@H](NC(=O)Cc2cnccc2C)C1 ZINC001007519670 687038049 /nfs/dbraw/zinc/03/80/49/687038049.db2.gz SYQVDHBFGGTMOQ-OAHLLOKOSA-N 0 1 273.380 1.699 20 30 CDEDMN C=CCN1CCC[C@@H](NC(=O)Cc2cnccc2C)C1 ZINC001007519670 687038052 /nfs/dbraw/zinc/03/80/52/687038052.db2.gz SYQVDHBFGGTMOQ-OAHLLOKOSA-N 0 1 273.380 1.699 20 30 CDEDMN C=C(C)CCN1CC[C@@H]1CNC(=O)c1coc(C(N)=O)c1 ZINC001038556527 687040611 /nfs/dbraw/zinc/04/06/11/687040611.db2.gz WUGLWRZBEMTRCM-GFCCVEGCSA-N 0 1 291.351 1.149 20 30 CDEDMN C=C(C)CN1CC[C@@H](NC(=O)c2cc(C3CC3)on2)C1 ZINC001015429263 687046758 /nfs/dbraw/zinc/04/67/58/687046758.db2.gz HFORTCBWKSIMDR-GFCCVEGCSA-N 0 1 275.352 1.932 20 30 CDEDMN C=C[C@H](CC(=O)N[C@@H]1CNC[C@@H]1C#N)c1ccccc1 ZINC000844194818 687050142 /nfs/dbraw/zinc/05/01/42/687050142.db2.gz MUKUWQJJTSFXIJ-VHDGCEQUSA-N 0 1 269.348 1.574 20 30 CDEDMN CCCCCCCNC(=O)NC[C@H]1CN(C)CCN1C ZINC000858111658 687051106 /nfs/dbraw/zinc/05/11/06/687051106.db2.gz NKYODTWSYALULV-AWEZNQCLSA-N 0 1 284.448 1.502 20 30 CDEDMN C=CC[N@H+]1CC[C@]2(NC(=O)c3ncccc3O)CCC[C@H]12 ZINC000990350158 687057885 /nfs/dbraw/zinc/05/78/85/687057885.db2.gz BBCDVZFGSZNPGD-XJKSGUPXSA-N 0 1 287.363 1.700 20 30 CDEDMN C=CC[N@@H+]1CC[C@]2(NC(=O)c3ncccc3[O-])CCC[C@H]12 ZINC000990350158 687057889 /nfs/dbraw/zinc/05/78/89/687057889.db2.gz BBCDVZFGSZNPGD-XJKSGUPXSA-N 0 1 287.363 1.700 20 30 CDEDMN CCN1CC[C@H]1CNC(=O)N1CCC(CC#N)CC1 ZINC000883896116 687062111 /nfs/dbraw/zinc/06/21/11/687062111.db2.gz JCATVJYLUJAVKW-ZDUSSCGKSA-N 0 1 264.373 1.416 20 30 CDEDMN CC[N@H+]1CC[C@H]1CNC(=O)N1CCC(CC#N)CC1 ZINC000883896116 687062109 /nfs/dbraw/zinc/06/21/09/687062109.db2.gz JCATVJYLUJAVKW-ZDUSSCGKSA-N 0 1 264.373 1.416 20 30 CDEDMN CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccn(C)n1 ZINC001049902934 687062242 /nfs/dbraw/zinc/06/22/42/687062242.db2.gz 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/nfs/dbraw/zinc/08/38/00/687083800.db2.gz SQQRCBGABYADEM-UHFFFAOYSA-N 0 1 289.379 1.845 20 30 CDEDMN C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(OC)cc2OC)C1 ZINC001016091688 687097900 /nfs/dbraw/zinc/09/79/00/687097900.db2.gz JEZPWALSNCKUEG-LBPRGKRZSA-N 0 1 290.363 1.694 20 30 CDEDMN C=CCN1CC[C@H](NC(=O)c2ccc(OC)cc2OC)C1 ZINC001016091688 687097901 /nfs/dbraw/zinc/09/79/01/687097901.db2.gz JEZPWALSNCKUEG-LBPRGKRZSA-N 0 1 290.363 1.694 20 30 CDEDMN CC#CCN1CC2(C1)CCN(C(=O)c1cc(C)ncn1)CC2 ZINC001035686818 687097940 /nfs/dbraw/zinc/09/79/40/687097940.db2.gz QUUOUTIMBCLDLJ-UHFFFAOYSA-N 0 1 298.390 1.346 20 30 CDEDMN C#CC[N@H+]1C[C@H]2CN(C(=O)c3ccc(C)c(C)c3)C[C@H]2C1 ZINC001049198886 687098110 /nfs/dbraw/zinc/09/81/10/687098110.db2.gz JVXXYGJBMUDOTM-CALCHBBNSA-N 0 1 282.387 1.940 20 30 CDEDMN C=CCN1CC[C@@H](NC(=O)c2ccc(NC(C)=O)cn2)C1 ZINC001014661865 687100692 /nfs/dbraw/zinc/10/06/92/687100692.db2.gz LCVHXXRQHDOIGI-CYBMUJFWSA-N 0 1 288.351 1.030 20 30 CDEDMN CC#CCN1C[C@@H]2CCCN(C(=O)c3ncoc3C)[C@@H]2C1 ZINC001049991091 687105710 /nfs/dbraw/zinc/10/57/10/687105710.db2.gz AELDEVWFVWHAIH-UONOGXRCSA-N 0 1 287.363 1.543 20 30 CDEDMN C#CC[C@H]1CCN(CC(=O)Nc2ncccc2C)C1 ZINC000886365761 687106166 /nfs/dbraw/zinc/10/61/66/687106166.db2.gz OYJQMAJBENTZKJ-ZDUSSCGKSA-N 0 1 257.337 1.674 20 30 CDEDMN C=C[C@H](CO)NC[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000852714188 687108890 /nfs/dbraw/zinc/10/88/90/687108890.db2.gz DQRSFWNZEVBXJN-YPMHNXCESA-N 0 1 262.309 1.148 20 30 CDEDMN C=CCN1CC[C@@H](NC(=O)[C@@H]2CCCc3n[nH]cc32)C1 ZINC001014446867 687108972 /nfs/dbraw/zinc/10/89/72/687108972.db2.gz JNVRZZVWUWDJJS-VXGBXAGGSA-N 0 1 274.368 1.206 20 30 CDEDMN C=CC[N@@H+]1CCC[C@H](NC(=O)c2[nH]cnc2C)[C@@H]1C ZINC000994547379 687109785 /nfs/dbraw/zinc/10/97/85/687109785.db2.gz MGCKVHFUFHHGJE-RYUDHWBXSA-N 0 1 262.357 1.487 20 30 CDEDMN C=CCN1CCC[C@H](NC(=O)c2[nH]cnc2C)[C@@H]1C ZINC000994547379 687109786 /nfs/dbraw/zinc/10/97/86/687109786.db2.gz MGCKVHFUFHHGJE-RYUDHWBXSA-N 0 1 262.357 1.487 20 30 CDEDMN C=CCN1CCCC[C@@H](NC(=O)c2ccncc2F)C1 ZINC001034139130 687110354 /nfs/dbraw/zinc/11/03/54/687110354.db2.gz VCDFJZNDEGOZKT-GFCCVEGCSA-N 0 1 277.343 1.991 20 30 CDEDMN C=CCN1CCCC[C@H]1CNC(=O)c1coc(C)n1 ZINC001024401611 687112261 /nfs/dbraw/zinc/11/22/61/687112261.db2.gz FKWGCLRRKCOBIK-LBPRGKRZSA-N 0 1 263.341 1.753 20 30 CDEDMN C#CC1CCN([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC1 ZINC000830326403 687114004 /nfs/dbraw/zinc/11/40/04/687114004.db2.gz NQHYIAIKBHOKMZ-OAHLLOKOSA-N 0 1 286.379 1.261 20 30 CDEDMN C#C[C@@H](NC(=O)NCc1cc(CC)[nH]n1)C(C)(C)C ZINC000808275440 687117778 /nfs/dbraw/zinc/11/77/78/687117778.db2.gz WQPOGRGNDFDGPP-GFCCVEGCSA-N 0 1 262.357 1.819 20 30 CDEDMN C=C(Cl)CN[C@@H]1CN(C(=O)c2[nH]c(=O)[nH]c2C)C[C@H]1C ZINC001054780141 687121059 /nfs/dbraw/zinc/12/10/59/687121059.db2.gz LSNWRVWZRFUFNG-GMSGAONNSA-N 0 1 298.774 1.226 20 30 CDEDMN COc1ccc(F)c(NC(=O)N[C@@H]2CNC[C@@H]2C#N)c1 ZINC000841140297 687132410 /nfs/dbraw/zinc/13/24/10/687132410.db2.gz CCTRZWYQMXBWAE-QPUJVOFHSA-N 0 1 278.287 1.067 20 30 CDEDMN C[C@@H]1CCN(CC#N)C[C@H]1NC(=O)c1ccc2cncn2c1 ZINC000967396053 687145105 /nfs/dbraw/zinc/14/51/05/687145105.db2.gz AAJROQPUUFXYTI-IUODEOHRSA-N 0 1 297.362 1.298 20 30 CDEDMN CCC(=O)N[C@H]1C[C@@H](NCc2ccccc2C#N)C1 ZINC001021742829 687145401 /nfs/dbraw/zinc/14/54/01/687145401.db2.gz ISCBRGRPRMEZBQ-OKILXGFUSA-N 0 1 257.337 1.705 20 30 CDEDMN CCc1nc([C@@H](C)NC(=O)C#Cc2cccs2)n[nH]1 ZINC000828030974 687152410 /nfs/dbraw/zinc/15/24/10/687152410.db2.gz JBDIPGFTDKZTMA-SECBINFHSA-N 0 1 274.349 1.658 20 30 CDEDMN C#CCN1CC=C(CNC(=O)c2cc(C(C)C)n[nH]2)CC1 ZINC001001180771 687153922 /nfs/dbraw/zinc/15/39/22/687153922.db2.gz HXJXUSRYIQMORY-UHFFFAOYSA-N 0 1 286.379 1.528 20 30 CDEDMN C#CCN1CCC(C)(NC(=O)c2nc(C)oc2C)CC1 ZINC001045598052 687168890 /nfs/dbraw/zinc/16/88/90/687168890.db2.gz GFZHNIFVOPJPEM-UHFFFAOYSA-N 0 1 275.352 1.509 20 30 CDEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)Nc1cccc(C(F)(F)F)n1 ZINC000841182284 687169058 /nfs/dbraw/zinc/16/90/58/687169058.db2.gz GEOOPKFXTMLGIB-SFYZADRCSA-N 0 1 299.256 1.333 20 30 CDEDMN C#CCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C1C=CC=CC=C1 ZINC001017591029 687183704 /nfs/dbraw/zinc/18/37/04/687183704.db2.gz NBLCJOKXJCTPKW-CALCHBBNSA-N 0 1 282.387 1.983 20 30 CDEDMN C#CCN1CC[C@](C)(NC(=O)[C@H]2Cc3ccncc3C2)C1 ZINC001046621181 687200610 /nfs/dbraw/zinc/20/06/10/687200610.db2.gz UPUKJZAOBWMVMD-YOEHRIQHSA-N 0 1 283.375 1.010 20 30 CDEDMN C=C(C)CN1CC(CNC(=O)c2ccc(COC)o2)C1 ZINC001031830770 687219652 /nfs/dbraw/zinc/21/96/52/687219652.db2.gz LOLMMRICUSOPPR-UHFFFAOYSA-N 0 1 278.352 1.664 20 30 CDEDMN C#C[C@H](NC(=O)NC[C@H]1CCN1CC)c1ccc(F)cc1 ZINC000883660541 687244473 /nfs/dbraw/zinc/24/44/73/687244473.db2.gz NJUFRKQRCLCYJI-CABCVRRESA-N 0 1 289.354 1.893 20 30 CDEDMN C=CCN1CC(CNC(=O)[C@@H]2C[C@]2(C)C(C)C)C1 ZINC001032093760 687245351 /nfs/dbraw/zinc/24/53/51/687245351.db2.gz FMZQOMZGLRKJDE-DZGCQCFKSA-N 0 1 250.386 1.903 20 30 CDEDMN C#CCN1CCCC[C@H]1CNC(=O)c1cccn1CC ZINC001024802796 687264212 /nfs/dbraw/zinc/26/42/12/687264212.db2.gz ZOZSEKBXTGPISE-AWEZNQCLSA-N 0 1 273.380 1.726 20 30 CDEDMN C[C@@H](C#N)C(=O)N1CCC[C@H]1CN(C)Cc1ccccn1 ZINC000960494101 687280196 /nfs/dbraw/zinc/28/01/96/687280196.db2.gz MMWFJPKQWUTNQO-ZFWWWQNUSA-N 0 1 286.379 1.664 20 30 CDEDMN C#CCN1CC[C@@H]2[C@H]1CCCN2C(=O)c1oncc1C ZINC001049822115 687287899 /nfs/dbraw/zinc/28/78/99/687287899.db2.gz LJCYTXQONOBIAE-CHWSQXEVSA-N 0 1 273.336 1.295 20 30 CDEDMN C[C@]1(C(=O)C(C#N)c2ccncn2)COc2ccccc2O1 ZINC000860655838 687295560 /nfs/dbraw/zinc/29/55/60/687295560.db2.gz ALQOAYGFPUYXOU-BDJLRTHQSA-N 0 1 295.298 1.883 20 30 CDEDMN C#CCN1CCCC[C@H](NC(=O)C[C@H]2CCOC2)C1 ZINC001034137115 687301182 /nfs/dbraw/zinc/30/11/82/687301182.db2.gz DLTNDBSTVVZWCA-KGLIPLIRSA-N 0 1 264.369 1.017 20 30 CDEDMN C#Cc1cccnc1N1CCN(C(C)(C)COC)CC1 ZINC000853700762 687310537 /nfs/dbraw/zinc/31/05/37/687310537.db2.gz UIZORFCMXOZSKH-UHFFFAOYSA-N 0 1 273.380 1.610 20 30 CDEDMN C#CCCN1CC[C@@H]1CNC(=O)c1cn(C(C)C)nc1C ZINC001038906944 687326060 /nfs/dbraw/zinc/32/60/60/687326060.db2.gz 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XZDVJARVFCCOKS-NSHDSACASA-N 0 1 291.355 1.049 20 30 CDEDMN C=CCN(CC(=O)[O-])C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000908745524 628355772 /nfs/dbraw/zinc/35/57/72/628355772.db2.gz NPIFMUSDBOVCHJ-NSHDSACASA-N 0 1 295.339 1.165 20 30 CDEDMN C=C(C)C[C@H](NC(=O)C[N@H+](C)C1CCC1)C(=O)[O-] ZINC000910292482 629000394 /nfs/dbraw/zinc/00/03/94/629000394.db2.gz PQUWKDHTBZEPOA-NSHDSACASA-N 0 1 254.330 1.006 20 30 CDEDMN N#Cc1ccc(N2CCN(C(=O)Cc3c[nH]cn3)CC2)cc1 ZINC000913478882 630499614 /nfs/dbraw/zinc/49/96/14/630499614.db2.gz RSYVQKFZYHBSJF-UHFFFAOYSA-N 0 1 295.346 1.173 20 30 CDEDMN Cc1ccc(OCC(=O)NCC#CCN(C)C)cc1C ZINC000913513162 630518289 /nfs/dbraw/zinc/51/82/89/630518289.db2.gz ATZSBCBRMNCDOG-UHFFFAOYSA-N 0 1 274.364 1.363 20 30 CDEDMN CC(=O)c1csc(C(=O)NCC#CCN(C)C)c1 ZINC000913518216 630522717 /nfs/dbraw/zinc/52/27/17/630522717.db2.gz IONANTQILBYKFL-UHFFFAOYSA-N 0 1 264.350 1.246 20 30 CDEDMN CN(C)CC#CCNC(=O)CCSCc1ccccc1 ZINC000913521632 630527224 /nfs/dbraw/zinc/52/72/24/630527224.db2.gz HEFOERRWYHVUPG-UHFFFAOYSA-N 0 1 290.432 1.991 20 30 CDEDMN N#CCC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 ZINC000914034802 630985727 /nfs/dbraw/zinc/98/57/27/630985727.db2.gz HHJZXQYWIGBDHO-OAHLLOKOSA-N 0 1 284.294 1.937 20 30 CDEDMN C=CCN(CC(=O)N[C@@H](C(=O)OC)[C@H](C)CC)C(C)C ZINC000917071496 632142101 /nfs/dbraw/zinc/14/21/01/632142101.db2.gz SRNJEOUNHKKXPY-TZMCWYRMSA-N 0 1 284.400 1.587 20 30 CDEDMN C=CCN(CC(=O)N(CC)C[C@H](C)C#N)C(C)C ZINC000917168134 632167756 /nfs/dbraw/zinc/16/77/56/632167756.db2.gz PEKSJSMXJJLSJH-CYBMUJFWSA-N 0 1 251.374 1.891 20 30 CDEDMN N#CCOc1ccc(C=NNc2ncnc3nc[nH]c32)cc1 ZINC000917555156 632240628 /nfs/dbraw/zinc/24/06/28/632240628.db2.gz GUOVIFUFSAFRDG-UHFFFAOYSA-N 0 1 293.290 1.701 20 30 CDEDMN C[C@H](COCc1ccccc1)Cn1c(=O)[nH]cc(C#N)c1=O ZINC000917859030 632291493 /nfs/dbraw/zinc/29/14/93/632291493.db2.gz LWSXZMCULABKSZ-LBPRGKRZSA-N 0 1 299.330 1.261 20 30 CDEDMN C=C(Cl)CN1C[C@@H](C(=O)NCCOC)CC[C@@H]1C ZINC000921112051 632884006 /nfs/dbraw/zinc/88/40/06/632884006.db2.gz OBJYXTMCLGMSSN-RYUDHWBXSA-N 0 1 274.792 1.602 20 30 CDEDMN C#C[C@H](C)Oc1ccc(COC(=O)CCc2nc[nH]n2)cc1 ZINC000788054585 633031897 /nfs/dbraw/zinc/03/18/97/633031897.db2.gz XJJZLSWZYJCMCF-LBPRGKRZSA-N 0 1 299.330 1.881 20 30 CDEDMN C=CC[C@@H]1CCC[N@H+](CC(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)C1 ZINC001602854874 1175434900 /nfs/dbraw/zinc/43/49/00/1175434900.db2.gz AJQMSLXEWOKUJH-UMVBOHGHSA-N 0 1 296.411 1.890 20 30 CDEDMN CN1CC(CNc2ncc(Br)nc2C#N)C1 ZINC001170254130 1162325792 /nfs/dbraw/zinc/32/57/92/1162325792.db2.gz KDICQQATUOITLA-UHFFFAOYSA-N 0 1 282.145 1.084 20 30 CDEDMN CC(C)(S)CNc1cccc(=NN2C(=O)CCC2=O)[nH]1 ZINC001170305429 1162329865 /nfs/dbraw/zinc/32/98/65/1162329865.db2.gz YWLARMNNTKTVBG-UHFFFAOYSA-N 0 1 294.380 1.678 20 30 CDEDMN C#CC[NH2+]CCCC[C@@H](C)NC(=O)c1ncccc1[O-] ZINC001170329463 1162338614 /nfs/dbraw/zinc/33/86/14/1162338614.db2.gz WCIFNDHULHZJNG-GFCCVEGCSA-N 0 1 275.352 1.299 20 30 CDEDMN CCOCCC[N@H+]1CCC(=NN[C@H](CC)C(=O)[O-])[C@H](C)C1 ZINC000793078379 1162390244 /nfs/dbraw/zinc/39/02/44/1162390244.db2.gz LNPIAXAAYKYTDU-CHWSQXEVSA-N 0 1 299.415 1.564 20 30 CDEDMN CCC[C@H](C)CC(=O)N[C@@H]1[C@H]2CN(CC#CCOC)C[C@H]21 ZINC001114018006 1162401454 /nfs/dbraw/zinc/40/14/54/1162401454.db2.gz WIOXVNPUDLYKJQ-LJIGWXMPSA-N 0 1 292.423 1.509 20 30 CDEDMN Cc1noc(C(=O)NCCNCc2ccccc2C#N)c1C ZINC001130067908 1162530163 /nfs/dbraw/zinc/53/01/63/1162530163.db2.gz DREPXEFHSRLQSP-UHFFFAOYSA-N 0 1 298.346 1.683 20 30 CDEDMN C=CCn1cc(-c2nn[nH]n2)c2ccsc2c1=O ZINC001602882287 1175442806 /nfs/dbraw/zinc/44/28/06/1175442806.db2.gz GYFOVILHNOFJQK-UHFFFAOYSA-N 0 1 259.294 1.429 20 30 CDEDMN C=CCN1CCN([C@H]2CC[C@@H](C(=O)OC)C2)CC1 ZINC001170548868 1162839759 /nfs/dbraw/zinc/83/97/59/1162839759.db2.gz GYZRSLXVRWQMQQ-OLZOCXBDSA-N 0 1 252.358 1.132 20 30 CDEDMN C=CCCC(=O)N1C[C@@H](C)O[C@]2(CCN(CC#CC)C2)C1 ZINC001131649622 1162990176 /nfs/dbraw/zinc/99/01/76/1162990176.db2.gz LVZQNUBUTDFLHS-WBVHZDCISA-N 0 1 290.407 1.668 20 30 CDEDMN C=CCN1CC[C@H](NC(=O)C(C)(C)C2CC2)[C@H](O)C1 ZINC001090502861 1163052273 /nfs/dbraw/zinc/05/22/73/1163052273.db2.gz GJERFJQDXUJUHY-QWHCGFSZSA-N 0 1 266.385 1.160 20 30 CDEDMN C=CCOCC(=O)N[C@H]1CC[C@@H](C)N(CC=C)C1 ZINC001131942615 1163117878 /nfs/dbraw/zinc/11/78/78/1163117878.db2.gz FEAVKPLMSLGQDF-OLZOCXBDSA-N 0 1 252.358 1.344 20 30 CDEDMN CN1CCC[C@H](Oc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC001228767510 1160486331 /nfs/dbraw/zinc/48/63/31/1160486331.db2.gz ADGAGNTXLPHAJK-NSHDSACASA-N 0 1 261.281 1.939 20 30 CDEDMN C=CCN1CCC[C@H](NC(=O)COCCCOC)[C@H]1C ZINC001755721618 1160490286 /nfs/dbraw/zinc/49/02/86/1160490286.db2.gz OVPDMXVRZMIMLU-KGLIPLIRSA-N 0 1 284.400 1.195 20 30 CDEDMN C=CCN(CCNC(=O)c1c(C)ccn1C)CCOC ZINC001755837993 1160622805 /nfs/dbraw/zinc/62/28/05/1160622805.db2.gz GBIULZUJGGTQKI-UHFFFAOYSA-N 0 1 279.384 1.198 20 30 CDEDMN C#CCN1C[C@@H]2CCN(C(=O)c3ccc(CF)cc3)[C@@H]2C1 ZINC001076619573 1160782180 /nfs/dbraw/zinc/78/21/80/1160782180.db2.gz LUJBLOGVPBLBDC-JKSUJKDBSA-N 0 1 286.350 1.936 20 30 CDEDMN C#CCOCCC(=O)NCCN[C@H](C)c1ccccc1F ZINC001127027348 1160894003 /nfs/dbraw/zinc/89/40/03/1160894003.db2.gz OPVOHLFMQYTQSC-CYBMUJFWSA-N 0 1 292.354 1.632 20 30 CDEDMN C=CCCC(=O)NC[C@@]1(C)CN(C[C@H]2CCOC2)CCO1 ZINC001107802119 1161325193 /nfs/dbraw/zinc/32/51/93/1161325193.db2.gz JJAZNHKEMZIZQV-ZBFHGGJFSA-N 0 1 296.411 1.196 20 30 CDEDMN C=CCCCN1CCN(C(=O)c2cccn(C)c2=O)CC1 ZINC001113552538 1162219968 /nfs/dbraw/zinc/21/99/68/1162219968.db2.gz LPDKDIZGAHFUPH-UHFFFAOYSA-N 0 1 289.379 1.109 20 30 CDEDMN C=CCCOCC(=O)N1CCN(CC[C@@H]2CCOC2)CC1 ZINC001113709648 1162262951 /nfs/dbraw/zinc/26/29/51/1162262951.db2.gz XPPVZOPAYHNVTF-OAHLLOKOSA-N 0 1 296.411 1.150 20 30 CDEDMN CCOC1CC(CN=Nc2oc(C)nc2-c2nn[nH]n2)C1 ZINC001604406917 1163179499 /nfs/dbraw/zinc/17/94/99/1163179499.db2.gz LXAZCOXSJDUAAS-UHFFFAOYSA-N 0 1 291.315 1.376 20 30 CDEDMN CC1(C#N)CC[NH+](Cc2cccc(C(=O)[O-])n2)CC1 ZINC001604483615 1163201799 /nfs/dbraw/zinc/20/17/99/1163201799.db2.gz UXIQIPODJCUHJS-UHFFFAOYSA-N 0 1 259.309 1.905 20 30 CDEDMN C#CCN1C[C@H](NC(=O)CCc2cnccn2)CC[C@@H]1C ZINC001132406055 1163272551 /nfs/dbraw/zinc/27/25/51/1163272551.db2.gz CBQNKGYUYDMTSS-DZGCQCFKSA-N 0 1 286.379 1.012 20 30 CDEDMN C=C[C@@H](C)[C@H](C)C(=O)NCCNCc1cccc(OC)n1 ZINC001132569138 1163377571 /nfs/dbraw/zinc/37/75/71/1163377571.db2.gz LIVCJWSRAGXYQB-OLZOCXBDSA-N 0 1 291.395 1.754 20 30 CDEDMN Cc1c(C(=O)NCCNCC#Cc2ccccc2)ccn1C ZINC001133492887 1163750963 /nfs/dbraw/zinc/75/09/63/1163750963.db2.gz SJYPLOKHMKUOIP-UHFFFAOYSA-N 0 1 295.386 1.705 20 30 CDEDMN C[N@H+]1C[C@@H](OC(=O)c2csc(C#N)c2)C[C@]1(C)C(=O)[O-] ZINC001606206621 1163810501 /nfs/dbraw/zinc/81/05/01/1163810501.db2.gz BSKZROIHBWKYMK-TVQRCGJNSA-N 0 1 294.332 1.324 20 30 CDEDMN N#Cc1ccc([C@H](C(=O)[O-])[N@H+]2CCC3(COC3)C2)cc1 ZINC001608199582 1164448542 /nfs/dbraw/zinc/44/85/42/1164448542.db2.gz NHPURAIKYCKPKA-CYBMUJFWSA-N 0 1 272.304 1.406 20 30 CDEDMN C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H](C(=O)[O-])[C@H]1C ZINC001609226221 1164858486 /nfs/dbraw/zinc/85/84/86/1164858486.db2.gz IXFDLRVOTUCBPQ-AGIUHOORSA-N 0 1 282.384 1.595 20 30 CDEDMN C=C[C@@H](C(=O)[O-])[N@H+]1CCc2ccc(C(=O)OC)cc2C1 ZINC001609264311 1164872089 /nfs/dbraw/zinc/87/20/89/1164872089.db2.gz KWJBEIGMBZPSKC-ZDUSSCGKSA-N 0 1 275.304 1.471 20 30 CDEDMN N#CC1(CCn2cc(-c3nn[nH]n3)ccc2=O)CCCCC1 ZINC001609493426 1164975881 /nfs/dbraw/zinc/97/58/81/1164975881.db2.gz IXYHKOSOXKZSOH-UHFFFAOYSA-N 0 1 298.350 1.893 20 30 CDEDMN N#Cc1cccc(OCC(=O)Nc2cccc3[nH]nnc32)c1 ZINC001624594074 1165850742 /nfs/dbraw/zinc/85/07/42/1165850742.db2.gz CBUIBHCBDHWQMK-UHFFFAOYSA-N 0 1 293.286 1.847 20 30 CDEDMN C#CC[N@H+](CC)[C@H](C)CNC(=O)c1cccc2c1OCC2 ZINC001155423504 1167168648 /nfs/dbraw/zinc/16/86/48/1167168648.db2.gz IULYXFFDIKTEKU-CYBMUJFWSA-N 0 1 286.375 1.695 20 30 CDEDMN N#Cc1cc(Cl)cnc1NCc1noc2c1CNCC2 ZINC001155498252 1167199493 /nfs/dbraw/zinc/19/94/93/1167199493.db2.gz UCRZIPHAVYJJAG-UHFFFAOYSA-N 0 1 289.726 1.852 20 30 CDEDMN C=CCCC(=O)NCCCNCc1nnc2n1CCCC2 ZINC001155579653 1167239515 /nfs/dbraw/zinc/23/95/15/1167239515.db2.gz IZUVWTITURIPND-UHFFFAOYSA-N 0 1 291.399 1.177 20 30 CDEDMN C=CCCC(=O)NCCCN[C@H](C)c1nnc(C)[nH]1 ZINC001155586699 1167244308 /nfs/dbraw/zinc/24/43/08/1167244308.db2.gz GCMQUYRKEVVUBS-SNVBAGLBSA-N 0 1 265.361 1.236 20 30 CDEDMN CN(Cc1n[nH]c(=O)o1)C(=O)C1(c2cccc(C#N)c2)CC1 ZINC001646010278 1167608641 /nfs/dbraw/zinc/60/86/41/1167608641.db2.gz NMBCDYWMKWLSSR-UHFFFAOYSA-N 0 1 298.302 1.337 20 30 CDEDMN Cn1ccnc1C(C#N)C(=O)[C@H]1CC(=O)c2ccccc21 ZINC001646841951 1168186581 /nfs/dbraw/zinc/18/65/81/1168186581.db2.gz KEBCSCMZMMMJSM-QWHCGFSZSA-N 0 1 279.299 1.967 20 30 CDEDMN CCCN1CCC[C@@H]1C(=O)Nc1cnc(OC)c(C#N)c1 ZINC001650211007 1169867191 /nfs/dbraw/zinc/86/71/91/1169867191.db2.gz WOZTVIGNRPUIQJ-CYBMUJFWSA-N 0 1 288.351 1.775 20 30 CDEDMN N#CCc1cccc2c1CC[N@H+](C[C@@H]1C[C@H]1C(=O)[O-])C2 ZINC001574241122 1170926527 /nfs/dbraw/zinc/92/65/27/1170926527.db2.gz HZJLAHWGMQJFLW-DZGCQCFKSA-N 0 1 270.332 1.831 20 30 CDEDMN C#C[C@H](C)N(C)C(=O)[C@@H](N)c1ccc(Br)cc1 ZINC001574458502 1170984198 /nfs/dbraw/zinc/98/41/98/1170984198.db2.gz RVUHQHHKUGTJOG-CABZTGNLSA-N 0 1 295.180 1.929 20 30 CDEDMN C=CC[C@H](CO)CNC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC001574888954 1171039724 /nfs/dbraw/zinc/03/97/24/1171039724.db2.gz JQNRRKZBZQLUSJ-BBRMVZONSA-N 0 1 299.374 1.046 20 30 CDEDMN C#CCN(Cc1c[nH]nn1)c1nnc(C2CC2)n1CC(=C)C ZINC001574954809 1171061268 /nfs/dbraw/zinc/06/12/68/1171061268.db2.gz OGGWMJCGPYSUAC-UHFFFAOYSA-N 0 1 297.366 1.490 20 30 CDEDMN CC1(C)CC[C@@H]1Nc1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001575672147 1171240240 /nfs/dbraw/zinc/24/02/40/1171240240.db2.gz JZTWHWXSYQIASP-QMMMGPOBSA-N 0 1 270.300 1.129 20 30 CDEDMN N#Cc1ccncc1C(=O)Nc1ccc2[nH]c(CN)nc2c1 ZINC001580081110 1172345943 /nfs/dbraw/zinc/34/59/43/1172345943.db2.gz TVMBRUHKHHXMOY-UHFFFAOYSA-N 0 1 292.302 1.541 20 30 CDEDMN C=CCN(Cc1cnc2ccc(-c3nn[nH]n3)cn12)C1CC1 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ZINC001015206849 730380173 /nfs/dbraw/zinc/38/01/73/730380173.db2.gz RBOXPMBWAIFXPI-AWEZNQCLSA-N 0 1 288.395 1.782 20 30 CDEDMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1cn2c(n1)CCC2 ZINC001032410660 730381844 /nfs/dbraw/zinc/38/18/44/730381844.db2.gz NZKMBOUABKRFCP-STQMWFEESA-N 0 1 286.379 1.304 20 30 CDEDMN COc1cc(C(C)=NNC2=N[C@@H]3CCCC[C@H]3N2)ccn1 ZINC000782252463 730389604 /nfs/dbraw/zinc/38/96/04/730389604.db2.gz AFTJCDRXHQNBMJ-CHWSQXEVSA-N 0 1 287.367 1.674 20 30 CDEDMN C=CCN1CC[C@@H](NC(=O)c2cc(C)nc3cc(C)nn32)C1 ZINC001016295375 730391641 /nfs/dbraw/zinc/39/16/41/730391641.db2.gz RZXYKXAMERBHCJ-CYBMUJFWSA-N 0 1 299.378 1.336 20 30 CDEDMN CC(C)(C(=O)N[C@H]1CNC[C@H]1C#N)c1ccccc1 ZINC000834516433 730393340 /nfs/dbraw/zinc/39/33/40/730393340.db2.gz IONOUJLALXFMGB-YPMHNXCESA-N 0 1 257.337 1.192 20 30 CDEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)c1csc(-c2ccccc2)n1 ZINC000834511215 730395974 /nfs/dbraw/zinc/39/59/74/730395974.db2.gz JMSNMGBNQYFLBO-NEPJUHHUSA-N 0 1 298.371 1.651 20 30 CDEDMN N#C[C@H]1CNC[C@H]1NC(=O)c1cc2c(cccc2F)s1 ZINC000834505199 730398130 /nfs/dbraw/zinc/39/81/30/730398130.db2.gz JIULKIGHQZLMQY-GZMMTYOYSA-N 0 1 289.335 1.882 20 30 CDEDMN C#CCN1CC[C@@H]2CCN(C(=O)Cc3cnc(C)o3)C[C@@H]21 ZINC001042090426 730405292 /nfs/dbraw/zinc/40/52/92/730405292.db2.gz LBFOVWARKUWUGK-HIFRSBDPSA-N 0 1 287.363 1.082 20 30 CDEDMN C=C(Cl)CN[C@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1C ZINC001054439275 730415479 /nfs/dbraw/zinc/41/54/79/730415479.db2.gz PEFHUIKZJYMKOS-KCJUWKMLSA-N 0 1 268.748 1.212 20 30 CDEDMN C=CCN1CC[C@H]([N@@H+](CC(=O)[O-])C2CCCC2)C1=O ZINC001609373644 1164913528 /nfs/dbraw/zinc/91/35/28/1164913528.db2.gz KBTJUDYCPICLPS-LBPRGKRZSA-N 0 1 266.341 1.103 20 30 CDEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1C=CC=CC=C1)C2 ZINC001095481071 1166739556 /nfs/dbraw/zinc/73/95/56/1166739556.db2.gz QIXLDYJJWQMPQG-PMPSAXMXSA-N 0 1 268.360 1.640 20 30 CDEDMN Cc1ccc(C(=O)N[C@H]2CNC[C@H]2C#N)c(F)c1Cl ZINC000834506623 1167047634 /nfs/dbraw/zinc/04/76/34/1167047634.db2.gz UNUVYHAVGACKMO-SCZZXKLOSA-N 0 1 281.718 1.629 20 30 CDEDMN Cn1cncc1CNCc1cccc(OCC#N)c1 ZINC000388380194 1167373206 /nfs/dbraw/zinc/37/32/06/1167373206.db2.gz MGPUONOJUXWZIO-UHFFFAOYSA-N 0 1 256.309 1.612 20 30 CDEDMN CC#CC[C@@H](N)C(=O)Nc1cnc2onc(C)c2c1 ZINC001574969307 1167644082 /nfs/dbraw/zinc/64/40/82/1167644082.db2.gz FPXJEZKXEXBYHE-LLVKDONJSA-N 0 1 258.281 1.210 20 30 CDEDMN C=CCC1(C(=O)N[C@@H]2CCCN(CCO)C2)CCC1 ZINC001566629154 1168362823 /nfs/dbraw/zinc/36/28/23/1168362823.db2.gz SQLMOERJIKQUKY-CYBMUJFWSA-N 0 1 266.385 1.306 20 30 CDEDMN C#CCN1CC[C@H](NC(=O)c2ccc(OC)c(C)c2)[C@H]1C ZINC001088921440 912296811 /nfs/dbraw/zinc/29/68/11/912296811.db2.gz JXKNWINQRFYRTB-HIFRSBDPSA-N 0 1 286.375 1.829 20 30 CDEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc3ncccn3n2)[C@H]1C ZINC001088934180 912325048 /nfs/dbraw/zinc/32/50/48/912325048.db2.gz NRSPQSVTIOYJFE-OLZOCXBDSA-N 0 1 299.378 1.498 20 30 CDEDMN C=C(C)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(F)F)C2 ZINC001095092065 912375365 /nfs/dbraw/zinc/37/53/65/912375365.db2.gz APXYDXGGEZBWRN-VWYCJHECSA-N 0 1 258.312 1.939 20 30 CDEDMN C=CCOC1CCC(N2CC[C@H](S(C)(=O)=O)C2)CC1 ZINC001173327606 912427059 /nfs/dbraw/zinc/42/70/59/912427059.db2.gz POFJHOISTMAITR-RUXDESIVSA-N 0 1 287.425 1.619 20 30 CDEDMN CC(=O)[C@@H]1CN(C2CCC(CC#N)CC2)CCO1 ZINC001173341523 912433778 /nfs/dbraw/zinc/43/37/78/912433778.db2.gz YOHVENBQFJLSFV-RUXDESIVSA-N 0 1 250.342 1.749 20 30 CDEDMN C#Cc1ccc(C(=O)N[C@H]2CCN(CC=C)[C@@H]2C)nc1 ZINC001088987958 912442551 /nfs/dbraw/zinc/44/25/51/912442551.db2.gz YHWUGHNAEUOGOD-OCCSQVGLSA-N 0 1 269.348 1.442 20 30 CDEDMN C#CCN1CC[C@H](NC(=O)c2ccc(N(C)C)cc2)[C@H]1C ZINC001089003070 912464410 /nfs/dbraw/zinc/46/44/10/912464410.db2.gz WIZPVDPMNLMBBI-CJNGLKHVSA-N 0 1 285.391 1.578 20 30 CDEDMN CC(C)(CNC(=O)C(C#N)Cc1cccs1)C(N)=O ZINC001177916911 915022782 /nfs/dbraw/zinc/02/27/82/915022782.db2.gz MQTRDXVCHSMINI-VIFPVBQESA-N 0 1 279.365 1.058 20 30 CDEDMN C=CCCN1C[C@@H](O)[C@H](NC(=O)c2cc(OC)cs2)C1 ZINC001077499448 912769100 /nfs/dbraw/zinc/76/91/00/912769100.db2.gz HTKVMNMQEDOJOW-VXGBXAGGSA-N 0 1 296.392 1.108 20 30 CDEDMN CC#CCN1CCCO[C@H](CNC(=O)C2(CF)CCC2)C1 ZINC001150343522 913053893 /nfs/dbraw/zinc/05/38/93/913053893.db2.gz ZABQXQMXMXSWKC-CQSZACIVSA-N 0 1 296.386 1.357 20 30 CDEDMN CCc1cc(C(=O)Nc2cc(C#N)ccc2O)n[nH]1 ZINC000176396720 913196428 /nfs/dbraw/zinc/19/64/28/913196428.db2.gz VMORYBWBYYZKIT-UHFFFAOYSA-N 0 1 256.265 1.802 20 30 CDEDMN N#C[C@H]1CN(C(=O)c2cc3c(Cl)[nH]ccc-3n2)CCO1 ZINC001174575812 913215568 /nfs/dbraw/zinc/21/55/68/913215568.db2.gz UILJABOGQVIVTA-QMMMGPOBSA-N 0 1 290.710 1.581 20 30 CDEDMN C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCO2)CC(C)(C)C1 ZINC001089310785 913520164 /nfs/dbraw/zinc/52/01/64/913520164.db2.gz WEDSBONEKMKGAB-KBPBESRZSA-N 0 1 278.396 1.405 20 30 CDEDMN C[C@@H](F)CCN1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC001038174936 894567567 /nfs/dbraw/zinc/56/75/67/894567567.db2.gz KSBGORXKVUKFCW-ZWNOBZJWSA-N 0 1 278.331 1.439 20 30 CDEDMN CCN(CC#CCOC)CCNC(=O)[C@H]1CC1(C)C ZINC001266385512 894648604 /nfs/dbraw/zinc/64/86/04/894648604.db2.gz FIIALEJSTJZHFO-CYBMUJFWSA-N 0 1 266.385 1.120 20 30 CDEDMN C=CCN1C(=O)CC[C@@]12CCCN(Cc1c[nH]nn1)CC2 ZINC001203201890 895039329 /nfs/dbraw/zinc/03/93/29/895039329.db2.gz RUHLCXLYKQRXJS-OAHLLOKOSA-N 0 1 289.383 1.338 20 30 CDEDMN N#C[C@@H]1CNC[C@H]1NC(=O)c1ccc(Br)cc1 ZINC000834507095 895483767 /nfs/dbraw/zinc/48/37/67/895483767.db2.gz YATQRUWCSUXZGZ-MWLCHTKSSA-N 0 1 294.152 1.290 20 30 CDEDMN C=C(Br)CN[C@@H](COC)[C@H]1CCCO1 ZINC000308500559 896051864 /nfs/dbraw/zinc/05/18/64/896051864.db2.gz GIWWGHCVUQKATJ-VHSXEESVSA-N 0 1 264.163 1.679 20 30 CDEDMN C=C(Cl)CN[C@@H](C)CNC(=O)c1ccn(C)c1 ZINC001266932008 896378757 /nfs/dbraw/zinc/37/87/57/896378757.db2.gz DBSXHYBSLFBCFC-JTQLQIEISA-N 0 1 255.749 1.486 20 30 CDEDMN C=C(C)C(=O)NCCCNc1ccc2nc(C)[nH]c2n1 ZINC001167669656 897421779 /nfs/dbraw/zinc/42/17/79/897421779.db2.gz LZQAXMKUWSMGGT-UHFFFAOYSA-N 0 1 273.340 1.761 20 30 CDEDMN C=CCN1CCCO[C@@H](CNC(=O)[C@@H](C)SC)C1 ZINC001149264524 897728647 /nfs/dbraw/zinc/72/86/47/897728647.db2.gz TVIHXLGCNJYBRM-NEPJUHHUSA-N 0 1 272.414 1.131 20 30 CDEDMN Cc1nc2c(cccc2C(=O)N2CC[C@@H](N(C)CC#N)C2)[nH]1 ZINC000972672519 897821375 /nfs/dbraw/zinc/82/13/75/897821375.db2.gz AVPJIWZCHQWJHF-GFCCVEGCSA-N 0 1 297.362 1.541 20 30 CDEDMN C#CCCS(=O)(=O)N(CCN(C)C)Cc1ccccc1 ZINC000288523803 897931562 /nfs/dbraw/zinc/93/15/62/897931562.db2.gz CDXIMPWOAKVBPP-UHFFFAOYSA-N 0 1 294.420 1.403 20 30 CDEDMN C=CC1CCN(CN2C[C@@](C)(COC)CC2=O)CC1 ZINC000177144283 898117998 /nfs/dbraw/zinc/11/79/98/898117998.db2.gz XDCWSZHSYQGISU-HNNXBMFYSA-N 0 1 266.385 1.727 20 30 CDEDMN C=CCN1CCCC[C@H]1CNC(=O)c1cc2ncccn2n1 ZINC001024721159 898226858 /nfs/dbraw/zinc/22/68/58/898226858.db2.gz XHTBSGHIFMQERE-ZDUSSCGKSA-N 0 1 299.378 1.500 20 30 CDEDMN Cn1cc(C(=O)C(C#N)c2ncc(Cl)n2C)cn1 ZINC001123234365 914263971 /nfs/dbraw/zinc/26/39/71/914263971.db2.gz UJGXATOUWZKKFG-MRVPVSSYSA-N 0 1 263.688 1.297 20 30 CDEDMN C#CCN1CCC[C@H](NC(=O)C2C=CC=CC=C2)[C@@H]1C ZINC000993413819 914309763 /nfs/dbraw/zinc/30/97/63/914309763.db2.gz MWVDEMWFSHZPOY-HOCLYGCPSA-N 0 1 270.376 1.887 20 30 CDEDMN CC#CCN1CCCO[C@@H](CNC(=O)C[C@@H]2C=CCC2)C1 ZINC001149135932 899436123 /nfs/dbraw/zinc/43/61/23/899436123.db2.gz AVJPSBOTTUEFKD-CVEARBPZSA-N 0 1 290.407 1.573 20 30 CDEDMN C=CCN1CCC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H]1C ZINC000993690206 914389133 /nfs/dbraw/zinc/38/91/33/914389133.db2.gz QXIHGFKIYXLIFV-ODXJTPSBSA-N 0 1 264.369 1.034 20 30 CDEDMN C#CCN1CCC2(CC1)CN(C(=O)[C@H](F)CC)C[C@@H](C)O2 ZINC001098623553 900342945 /nfs/dbraw/zinc/34/29/45/900342945.db2.gz KAXYPJQKVHNEEE-ZIAGYGMSSA-N 0 1 296.386 1.450 20 30 CDEDMN C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001027380442 900468967 /nfs/dbraw/zinc/46/89/67/900468967.db2.gz DORIFWPPXXGDLB-ZDUSSCGKSA-N 0 1 289.379 1.900 20 30 CDEDMN C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2ncccc2[O-])C1 ZINC001027380442 900468977 /nfs/dbraw/zinc/46/89/77/900468977.db2.gz DORIFWPPXXGDLB-ZDUSSCGKSA-N 0 1 289.379 1.900 20 30 CDEDMN CC[C@H](F)CN1CCC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC001027812415 900836225 /nfs/dbraw/zinc/83/62/25/900836225.db2.gz FNZOTCRVAAELNJ-QWHCGFSZSA-N 0 1 292.358 1.829 20 30 CDEDMN CC#CCN1CCC[C@H]1CNC(=O)c1cc[nH]c1C ZINC001027816004 900842164 /nfs/dbraw/zinc/84/21/64/900842164.db2.gz SFTSBRDXPWETBY-ZDUSSCGKSA-N 0 1 259.353 1.541 20 30 CDEDMN C#CCN1CCC[C@H]1CNC(=O)c1ccc2c(c1)NC(=O)C2 ZINC001027898082 900959738 /nfs/dbraw/zinc/95/97/38/900959738.db2.gz CWNZFTHOQPWYKX-AWEZNQCLSA-N 0 1 297.358 1.009 20 30 CDEDMN C#CC[C@@H](NC(=O)c1sccc1CN(C)C)C(=O)OC ZINC000837944066 901050884 /nfs/dbraw/zinc/05/08/84/901050884.db2.gz CXYWKZIKDYMDOR-LLVKDONJSA-N 0 1 294.376 1.104 20 30 CDEDMN Cc1ncc(CO)c(CNc2ccnc(CC#N)c2)c1O ZINC001167822459 901095296 /nfs/dbraw/zinc/09/52/96/901095296.db2.gz QBMYPNUQFSONBD-UHFFFAOYSA-N 0 1 284.319 1.083 20 30 CDEDMN N#C[C@H]1CCCCN1C(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC001177177177 914519507 /nfs/dbraw/zinc/51/95/07/914519507.db2.gz WVPIBDZXTXUCLU-GHMZBOCLSA-N 0 1 258.325 1.419 20 30 CDEDMN Cc1ccc2n[nH]c(C(=O)N3CCCN(CC#N)CC3)c2c1 ZINC000981541978 901336328 /nfs/dbraw/zinc/33/63/28/901336328.db2.gz CBNDMNBZRAUWFO-UHFFFAOYSA-N 0 1 297.362 1.543 20 30 CDEDMN CC(C)[C@H](C(=O)OCC#Cc1ccccn1)N(C)C ZINC001343694780 901613588 /nfs/dbraw/zinc/61/35/88/901613588.db2.gz QFLFIXBXXWTVGK-CQSZACIVSA-N 0 1 260.337 1.563 20 30 CDEDMN C=CCCOCC(=O)NCCCNCc1nnc(C)s1 ZINC001177260699 914574660 /nfs/dbraw/zinc/57/46/60/914574660.db2.gz SWRXQTLIGLTTAU-UHFFFAOYSA-N 0 1 298.412 1.035 20 30 CDEDMN C=C(Cl)CN[C@@H](CC)CNC(=O)c1cn[nH]c(=O)c1 ZINC001481823022 902173685 /nfs/dbraw/zinc/17/36/85/902173685.db2.gz VEYUDFQPLWFEKU-JTQLQIEISA-N 0 1 284.747 1.033 20 30 CDEDMN C=C[C@](C)(O)CC(=O)NCCNCc1c(C)onc1CC ZINC001126359774 902259929 /nfs/dbraw/zinc/25/99/29/902259929.db2.gz BOXVMHMRSRJIQA-HNNXBMFYSA-N 0 1 295.383 1.078 20 30 CDEDMN CC(=O)C=C(C)NC(=O)CSc1n[nH]c(=S)s1 ZINC001177343901 914610500 /nfs/dbraw/zinc/61/05/00/914610500.db2.gz VNNVHWGBZDRCIV-HYXAFXHYSA-N 0 1 289.407 1.528 20 30 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290.342 1.392 20 30 CDEDMN Oc1ccc(F)c(CN=Nc2cnccn2)c1F ZINC000794489616 736339157 /nfs/dbraw/zinc/33/91/57/736339157.db2.gz YIFYFZVXLULADH-UHFFFAOYSA-N 0 1 250.208 1.906 20 30 CDEDMN C=CCN1CCCC[C@H]1CNC(=O)[C@@H]1CCC(=O)N(C)C1 ZINC001024818430 736340388 /nfs/dbraw/zinc/34/03/88/736340388.db2.gz WXBBLTNOAVNGNO-KGLIPLIRSA-N 0 1 293.411 1.012 20 30 CDEDMN COc1ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc1C(=O)[O-] ZINC001610336218 1165290604 /nfs/dbraw/zinc/29/06/04/1165290604.db2.gz PAWGJHXXDDWCRN-GFCCVEGCSA-N 0 1 287.319 1.927 20 30 CDEDMN C=CCCCC(=O)OC[C@@H](C)CN1CCOCC1 ZINC001516973650 969960498 /nfs/dbraw/zinc/96/04/98/969960498.db2.gz PUOYBZXQTXWWGP-ZDUSSCGKSA-N 0 1 255.358 1.854 20 30 CDEDMN Cc1ccnc(NCc2noc3c2CNCC3)c1C#N ZINC001155494854 1167196169 /nfs/dbraw/zinc/19/61/69/1167196169.db2.gz IQCYBTLKXHPNNX-UHFFFAOYSA-N 0 1 269.308 1.508 20 30 CDEDMN CCOC(=O)c1cnoc1Nc1ccncc1C#N ZINC001214002619 1167366150 /nfs/dbraw/zinc/36/61/50/1167366150.db2.gz XZVIDPOQFIWGPU-UHFFFAOYSA-N 0 1 258.237 1.283 20 30 CDEDMN COC(=O)c1cc(CNC[C@H](O)CC(C)(C)C#N)oc1C ZINC001646010870 1167609460 /nfs/dbraw/zinc/60/94/60/1167609460.db2.gz UPJOUIMDOFWMPO-LLVKDONJSA-N 0 1 294.351 1.765 20 30 CDEDMN C=C(CCC(=O)[O-])C(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC001602774774 1167829401 /nfs/dbraw/zinc/82/94/01/1167829401.db2.gz WINNAOJLKIUDSL-STQMWFEESA-N 0 1 282.384 1.739 20 30 CDEDMN CC(CC(C)(C)CC(=O)[O-])=NNCCC[NH+]1CCOCC1 ZINC001604124161 1167851681 /nfs/dbraw/zinc/85/16/81/1167851681.db2.gz VVPQATHWYLKRHG-UHFFFAOYSA-N 0 1 299.415 1.565 20 30 CDEDMN C=C(Cl)CNC[C@H](C)N(C)C(=O)c1cocn1 ZINC001568263622 1168099785 /nfs/dbraw/zinc/09/97/85/1168099785.db2.gz YSSDPWKBDBMVRB-VIFPVBQESA-N 0 1 257.721 1.477 20 30 CDEDMN C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=C)C)[C@@H]2C)nn1 ZINC001088907059 912245226 /nfs/dbraw/zinc/24/52/26/912245226.db2.gz YDSVLJBDXRIGDM-OLZOCXBDSA-N 0 1 289.383 1.233 20 30 CDEDMN CC#CCN1CC[C@H](NC(=O)c2cnn3ccccc23)[C@H]1C ZINC001088927204 912311278 /nfs/dbraw/zinc/31/12/78/912311278.db2.gz WIGMJTMCIHGTEZ-HIFRSBDPSA-N 0 1 296.374 1.550 20 30 CDEDMN CC#CCN1CC[C@H](NC(=O)c2ccc3nccn3c2)[C@H]1C ZINC001088973532 912414142 /nfs/dbraw/zinc/41/41/42/912414142.db2.gz UFXWNFDMJIHCMY-HIFRSBDPSA-N 0 1 296.374 1.550 20 30 CDEDMN N#Cc1ccc(-c2noc(-c3ccncc3O)n2)nc1 ZINC001212722642 912422642 /nfs/dbraw/zinc/42/26/42/912422642.db2.gz RZTDZOJNMLAYIC-UHFFFAOYSA-N 0 1 265.232 1.771 20 30 CDEDMN C=CCOC(=O)[C@H](CC(C)C)N[C@@H]1CCN(CC)C1 ZINC001173351523 912446332 /nfs/dbraw/zinc/44/63/32/912446332.db2.gz BRNVBKZUTSHMIP-KGLIPLIRSA-N 0 1 268.401 1.814 20 30 CDEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)C1CC1)C2 ZINC001110169406 912450512 /nfs/dbraw/zinc/45/05/12/912450512.db2.gz PGRNUMLYZSOUPZ-RZFFKMDDSA-N 0 1 260.381 1.777 20 30 CDEDMN C#CCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1ccsc1)C2 ZINC001095131386 912518075 /nfs/dbraw/zinc/51/80/75/912518075.db2.gz QMERBNVXFYPBFN-RDBSUJKOSA-N 0 1 274.389 1.645 20 30 CDEDMN CCOC(=O)C[C@@H](CC#N)Oc1n[nH]c(=O)cc1Cl ZINC001233585130 912893391 /nfs/dbraw/zinc/89/33/91/912893391.db2.gz ADXDDOGACSAQOR-SSDOTTSWSA-N 0 1 285.687 1.450 20 30 CDEDMN C#CC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2Cc1ccc[nH]1 ZINC001272346488 912907850 /nfs/dbraw/zinc/90/78/50/912907850.db2.gz UQQOPUINJWMSCY-GJZGRUSLSA-N 0 1 285.391 1.849 20 30 CDEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)C[C@H](C)SC ZINC001233770705 913044856 /nfs/dbraw/zinc/04/48/56/913044856.db2.gz MAVJJTHABIUVCS-QWHCGFSZSA-N 0 1 268.426 1.684 20 30 CDEDMN C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1cc(C#N)ccc1O ZINC000176409078 913215982 /nfs/dbraw/zinc/21/59/82/913215982.db2.gz CBQKGCHZLDGRBR-ZYHUDNBSSA-N 0 1 290.319 1.786 20 30 CDEDMN C#Cc1nccnc1N=C1CCC2(CC1)OCCO2 ZINC001174638421 913262173 /nfs/dbraw/zinc/26/21/73/913262173.db2.gz QTERWSZNRVQZBL-UHFFFAOYSA-N 0 1 257.293 1.681 20 30 CDEDMN CC(C)=Nc1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001174795613 913355398 /nfs/dbraw/zinc/35/53/98/913355398.db2.gz VQSVXHYVPBXLRR-UHFFFAOYSA-N 0 1 282.325 1.419 20 30 CDEDMN N#Cc1ccc(CCN2C[C@H](F)C[C@H](CO)C2)cc1 ZINC001208920504 894390274 /nfs/dbraw/zinc/39/02/74/894390274.db2.gz JMOBLOLUBPCHGT-LSDHHAIUSA-N 0 1 262.328 1.753 20 30 CDEDMN COc1ccncc1N=C(NO)c1ccccc1N ZINC001176124790 913970652 /nfs/dbraw/zinc/97/06/52/913970652.db2.gz QNGPHEKWFKBVJG-UHFFFAOYSA-N 0 1 258.281 1.730 20 30 CDEDMN C#CCCN1C[C@@H](NC(=O)C2(CC=C)CCC2)[C@H](OC)C1 ZINC001213397690 897551140 /nfs/dbraw/zinc/55/11/40/897551140.db2.gz TVPBDOKHFUJRRD-HUUCEWRRSA-N 0 1 290.407 1.572 20 30 CDEDMN N#Cc1ccccc1CNCCNC(=O)Cc1cccnc1 ZINC001125705631 897744264 /nfs/dbraw/zinc/74/42/64/897744264.db2.gz LXEAHHHTHVUZCM-UHFFFAOYSA-N 0 1 294.358 1.402 20 30 CDEDMN C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001024406819 898049096 /nfs/dbraw/zinc/04/90/96/898049096.db2.gz GVGQRFPATUVICG-GFCCVEGCSA-N 0 1 275.352 1.558 20 30 CDEDMN C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ncccc1[O-] ZINC001024406819 898049104 /nfs/dbraw/zinc/04/91/04/898049104.db2.gz GVGQRFPATUVICG-GFCCVEGCSA-N 0 1 275.352 1.558 20 30 CDEDMN O=C(C#CC1CC1)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1CCF ZINC001087357262 898524385 /nfs/dbraw/zinc/52/43/85/898524385.db2.gz NQLDFPFWDHMALN-JJXSEGSLSA-N 0 1 290.382 1.538 20 30 CDEDMN C=CCN(CC=C)C(=O)[C@@H](C)Sc1nnc(C)[nH]1 ZINC000193372397 899533197 /nfs/dbraw/zinc/53/31/97/899533197.db2.gz JXUJYKDGIMRJIF-SECBINFHSA-N 0 1 266.370 1.794 20 30 CDEDMN C=CCN(CC=C)C(=O)[C@@H](C)Sc1nc(C)n[nH]1 ZINC000193372397 899533199 /nfs/dbraw/zinc/53/31/99/899533199.db2.gz JXUJYKDGIMRJIF-SECBINFHSA-N 0 1 266.370 1.794 20 30 CDEDMN C#CCCCCC(=O)NCCNCc1cc(OC)ccn1 ZINC001125967392 900287416 /nfs/dbraw/zinc/28/74/16/900287416.db2.gz UKXFDDUEMNKVFC-UHFFFAOYSA-N 0 1 289.379 1.490 20 30 CDEDMN Cc1ncc(C#N)cc1NC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC001177172596 914496141 /nfs/dbraw/zinc/49/61/41/914496141.db2.gz IXOIFAZIDUQQDP-LLVKDONJSA-N 0 1 281.319 1.728 20 30 CDEDMN C=CCNC(=O)[C@H]1CC12CCN(Cc1[nH]cnc1C)CC2 ZINC001272660689 914498456 /nfs/dbraw/zinc/49/84/56/914498456.db2.gz DVQAISMVNGRUED-CYBMUJFWSA-N 0 1 288.395 1.622 20 30 CDEDMN N#C[C@H]1CC[C@H](Nc2ncnc3c2CNCC3)CC1 ZINC001167840447 901292602 /nfs/dbraw/zinc/29/26/02/901292602.db2.gz AIKQGTCZYLFIDI-XYPYZODXSA-N 0 1 257.341 1.617 20 30 CDEDMN Cc1nc(C)c(CN2CC(CNC(=O)[C@@H](C)C#N)C2)s1 ZINC001481617250 901473058 /nfs/dbraw/zinc/47/30/58/901473058.db2.gz BVSBQEMUNYYXIH-VIFPVBQESA-N 0 1 292.408 1.468 20 30 CDEDMN C=C[C@](C)(O)CC(=O)NCCNCc1ccccc1Cl ZINC001126364903 902358588 /nfs/dbraw/zinc/35/85/88/902358588.db2.gz CRHLALJYNBCGDK-HNNXBMFYSA-N 0 1 296.798 1.873 20 30 CDEDMN C=C(Cl)CNC[C@H](C)NC(=O)c1cc(C2CC2)n[nH]1 ZINC001498119493 902406976 /nfs/dbraw/zinc/40/69/76/902406976.db2.gz ZOCAHPHZXVBLRU-VIFPVBQESA-N 0 1 282.775 1.748 20 30 CDEDMN C=C(C)CN1C[C@@H](NC(=O)C[C@@H]2C=CCC2)[C@@H](O)C1 ZINC001083329475 902530839 /nfs/dbraw/zinc/53/08/39/902530839.db2.gz KBQKKPAUQWOBIC-MCIONIFRSA-N 0 1 264.369 1.080 20 30 CDEDMN C#CCN1CC[C@]2(CCC[N@H+]2Cc2cccnc2)C1=O ZINC001272949397 921121744 /nfs/dbraw/zinc/12/17/44/921121744.db2.gz VPPRBNPYSOYXJP-MRXNPFEDSA-N 0 1 269.348 1.282 20 30 CDEDMN C#CCN1CC[C@]2(CCCN2Cc2cccnc2)C1=O ZINC001272949397 921121751 /nfs/dbraw/zinc/12/17/51/921121751.db2.gz VPPRBNPYSOYXJP-MRXNPFEDSA-N 0 1 269.348 1.282 20 30 CDEDMN O=C(C#Cc1ccccn1)N1CC2(CCN2C2CCCC2)C1 ZINC001270346182 904549263 /nfs/dbraw/zinc/54/92/63/904549263.db2.gz BKCUAOQNKAZPER-UHFFFAOYSA-N 0 1 295.386 1.662 20 30 CDEDMN C=C(Cl)CNC[C@@H](C)N(C)C(=O)Cc1nonc1C ZINC001482348717 905156460 /nfs/dbraw/zinc/15/64/60/905156460.db2.gz WHIKQWBZTZHDGN-SECBINFHSA-N 0 1 286.763 1.110 20 30 CDEDMN CC#CCN(C)[C@@H]1CCN(C(=O)c2ccccn2)C1 ZINC001188626023 921129851 /nfs/dbraw/zinc/12/98/51/921129851.db2.gz LFFVYBMZZNADGQ-CYBMUJFWSA-N 0 1 257.337 1.251 20 30 CDEDMN C#CCN1CC[C@H](NC(=O)c2ccnc(F)c2)[C@H]1CC ZINC001087517962 905348156 /nfs/dbraw/zinc/34/81/56/905348156.db2.gz RXMJBHZKHKTYHP-QWHCGFSZSA-N 0 1 275.327 1.437 20 30 CDEDMN C=CCNC(=O)[C@@H](C)N(C)[C@@H]1CCN(C(=O)CCC)C1 ZINC001188643173 921146071 /nfs/dbraw/zinc/14/60/71/921146071.db2.gz ULISLXUTUOOFBJ-CHWSQXEVSA-N 0 1 281.400 1.010 20 30 CDEDMN COCC#CCN(C)[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC001188665628 921161286 /nfs/dbraw/zinc/16/12/86/921161286.db2.gz PRCHDUZAJJWWNR-MRXNPFEDSA-N 0 1 286.375 1.483 20 30 CDEDMN CC#CCN1CC[C@H](NC(=O)c2cncnc2)[C@H]1CC ZINC001087551426 905632869 /nfs/dbraw/zinc/63/28/69/905632869.db2.gz BMFXNIITILJWQK-UONOGXRCSA-N 0 1 272.352 1.083 20 30 CDEDMN C#CCN1CC[C@H](NC(=O)c2c(C)ccn2C)[C@H]1CC ZINC001087552554 905634845 /nfs/dbraw/zinc/63/48/45/905634845.db2.gz LQRSMZRVKXXPAW-UONOGXRCSA-N 0 1 273.380 1.549 20 30 CDEDMN COCC#CCN(C)[C@H]1CCN(C(=O)C=C(C)C)C1 ZINC001188716045 921166328 /nfs/dbraw/zinc/16/63/28/921166328.db2.gz CIPKQZHCCPJJRK-AWEZNQCLSA-N 0 1 264.369 1.135 20 30 CDEDMN CC#CCN1CC[C@H](NC(=O)C2CC(OC)C2)[C@H]1CC ZINC001087615640 905721878 /nfs/dbraw/zinc/72/18/78/905721878.db2.gz FMLDFJLWWOHEGE-PFSRBDOWSA-N 0 1 278.396 1.404 20 30 CDEDMN C#CCN1CC[C@H](NC(=O)C2(C3CC3)CC2)[C@H]1CC ZINC001087614959 905723053 /nfs/dbraw/zinc/72/30/53/905723053.db2.gz WEBQEIXODMHZLM-UONOGXRCSA-N 0 1 260.381 1.779 20 30 CDEDMN C=CC[N@@H+]1CC[C@H](NC(=O)c2cnc3nccn3c2)[C@H]1CC ZINC001087657904 905740730 /nfs/dbraw/zinc/74/07/30/905740730.db2.gz CEQWIADCPUKSBQ-UONOGXRCSA-N 0 1 299.378 1.498 20 30 CDEDMN C#CCN1CC[C@H](NC(=O)C(C)(C)c2c[nH]cn2)[C@H]1CC ZINC001087797515 905858178 /nfs/dbraw/zinc/85/81/78/905858178.db2.gz SXUFGJXCXLMSJC-QWHCGFSZSA-N 0 1 288.395 1.290 20 30 CDEDMN C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]2C1 ZINC001087944221 906042215 /nfs/dbraw/zinc/04/22/15/906042215.db2.gz PAAHFIFBVCKQCE-OLZOCXBDSA-N 0 1 287.363 1.367 20 30 CDEDMN C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]2C1 ZINC001087944221 906042233 /nfs/dbraw/zinc/04/22/33/906042233.db2.gz PAAHFIFBVCKQCE-OLZOCXBDSA-N 0 1 287.363 1.367 20 30 CDEDMN CC#CCN(C)[C@@H]1CCN(C(=O)c2snnc2C)C1 ZINC001188811432 921203204 /nfs/dbraw/zinc/20/32/04/921203204.db2.gz COWHMFBBFVVIEJ-LLVKDONJSA-N 0 1 278.381 1.016 20 30 CDEDMN CC#CCN1CCC(NC(=O)c2cnc(C3CC3)o2)CC1 ZINC001003045379 921285511 /nfs/dbraw/zinc/28/55/11/921285511.db2.gz NAFFTFJGGTWVLO-UHFFFAOYSA-N 0 1 287.363 1.770 20 30 CDEDMN COC(=O)[C@@]1(C)CCN(Cc2cc(C#N)ccn2)C1 ZINC001168115427 907162597 /nfs/dbraw/zinc/16/25/97/907162597.db2.gz RLXFJCVHUJCXIV-AWEZNQCLSA-N 0 1 259.309 1.338 20 30 CDEDMN C=C(C)CN1CC[C@H](NC(=O)c2cnsn2)[C@H]1C ZINC001088481084 907419028 /nfs/dbraw/zinc/41/90/28/907419028.db2.gz LNEFSKOULGZRKY-ZJUUUORDSA-N 0 1 266.370 1.307 20 30 CDEDMN CCC[C@H](OC)C(=O)NC1CCN(CC#CCOC)CC1 ZINC001228579427 907475693 /nfs/dbraw/zinc/47/56/93/907475693.db2.gz JVDOCVNKDOLIBH-HNNXBMFYSA-N 0 1 296.411 1.032 20 30 CDEDMN C=CCN1CC[C@H](NC(=O)C2CCCCC2)[C@H](O)C1 ZINC001090020423 921365464 /nfs/dbraw/zinc/36/54/64/921365464.db2.gz MCCYJNJRKRAKIH-UONOGXRCSA-N 0 1 266.385 1.304 20 30 CDEDMN C=CCN1CC[C@H](NC(=O)c2c(C3CC3)cnn2C)[C@H]1C ZINC001088612523 908297751 /nfs/dbraw/zinc/29/77/51/908297751.db2.gz VVMZEFGGTSDKFV-RISCZKNCSA-N 0 1 288.395 1.676 20 30 CDEDMN C=C(C)CN1C[C@@H](NC(=O)/C=C\C2CC2)[C@H](OC)C1 ZINC001212087279 908519850 /nfs/dbraw/zinc/51/98/50/908519850.db2.gz RATHYSYSKMGXRG-YOIVVXPQSA-N 0 1 264.369 1.344 20 30 CDEDMN CC#CCN1CC[C@H](NC(=O)c2cc(OCC)n[nH]2)[C@H]1C ZINC001088653245 908738332 /nfs/dbraw/zinc/73/83/32/908738332.db2.gz DWNCNCWKLARTCL-NEPJUHHUSA-N 0 1 290.367 1.024 20 30 CDEDMN CC#CCN1CC[C@H](NC(=O)c2cnn(C)c2Cl)[C@H]1C ZINC001088665987 908757839 /nfs/dbraw/zinc/75/78/39/908757839.db2.gz XPBKKAAEZJTNON-PWSUYJOCSA-N 0 1 294.786 1.289 20 30 CDEDMN CC#CCN1CC[C@H](NC(=O)c2cccc(C)c2)[C@H](O)C1 ZINC001090042573 921450976 /nfs/dbraw/zinc/45/09/76/921450976.db2.gz SKCJIVLLRNVIRC-JKSUJKDBSA-N 0 1 286.375 1.183 20 30 CDEDMN C#CCN1CC[C@H](NC(=O)c2ccnc3[nH]c(C)nc32)[C@H]1C ZINC001088763253 909355667 /nfs/dbraw/zinc/35/56/67/909355667.db2.gz XISYAGOYMZWPGV-MFKMUULPSA-N 0 1 297.362 1.092 20 30 CDEDMN O=C(C#CC1CC1)NCCNCc1ccccc1Cl ZINC001126881433 909513753 /nfs/dbraw/zinc/51/37/53/909513753.db2.gz SOGAKUMCHQDGBQ-UHFFFAOYSA-N 0 1 276.767 1.959 20 30 CDEDMN C#CCN1CC[C@H](NC(=O)c2cc(C)nc(OC)c2)[C@H]1C ZINC001088821652 909648541 /nfs/dbraw/zinc/64/85/41/909648541.db2.gz HAMVUSUVJCIQNF-OCCSQVGLSA-N 0 1 287.363 1.224 20 30 CDEDMN CC#CCN(C)[C@@H]1CCN(C(=O)c2ncoc2CC)C1 ZINC001189490108 921515072 /nfs/dbraw/zinc/51/50/72/921515072.db2.gz PNZIYJAXVXCDAL-GFCCVEGCSA-N 0 1 275.352 1.407 20 30 CDEDMN C=CCN1C[C@@H](O)[C@H](NC(=O)C=C2CCCCC2)C1 ZINC001076787226 910046811 /nfs/dbraw/zinc/04/68/11/910046811.db2.gz JMAGNOIFHYOBEJ-ZIAGYGMSSA-N 0 1 264.369 1.224 20 30 CDEDMN C=CCCN1C[C@@H](O)[C@H](NC(=O)c2nc(C)sc2C)C1 ZINC001077210809 910216938 /nfs/dbraw/zinc/21/69/38/910216938.db2.gz RUCYFGPUSAEJFF-VXGBXAGGSA-N 0 1 295.408 1.111 20 30 CDEDMN N#Cc1ccc2c(c1)ncnc2Nc1nccnc1CN ZINC001171441929 910553540 /nfs/dbraw/zinc/55/35/40/910553540.db2.gz WBPHTENXXUEFAG-UHFFFAOYSA-N 0 1 277.291 1.494 20 30 CDEDMN C#CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ncccc1[O-])C2 ZINC001094903196 911614809 /nfs/dbraw/zinc/61/48/09/911614809.db2.gz KWGOYHBAPZGRGZ-XQQFMLRXSA-N 0 1 285.347 1.003 20 30 CDEDMN CC(C)(C)OC(=O)N1CC[C@H](NCCF)C[C@H]1C#N ZINC001172970227 912111404 /nfs/dbraw/zinc/11/14/04/912111404.db2.gz DJOQTBALQIGFIS-QWRGUYRKSA-N 0 1 271.336 1.837 20 30 CDEDMN N#CC(Cc1cccs1)C(=O)N1C[C@H](CO)C[C@H](F)C1 ZINC001177907784 915013912 /nfs/dbraw/zinc/01/39/12/915013912.db2.gz DYDUYOAKPBVYKA-WOPDTQHZSA-N 0 1 296.367 1.609 20 30 CDEDMN N#C[C@H](Cc1cccs1)C(=O)NCc1cnc[nH]1 ZINC001177904904 915014473 /nfs/dbraw/zinc/01/44/73/915014473.db2.gz PXMNRDIVZOXIFW-VIFPVBQESA-N 0 1 260.322 1.470 20 30 CDEDMN CN1C[C@H](CNC(=O)C(C#N)Cc2cccs2)CC1=O ZINC001177916445 915024573 /nfs/dbraw/zinc/02/45/73/915024573.db2.gz WKYSFHOXMSCIQP-WDEREUQCSA-N 0 1 291.376 1.025 20 30 CDEDMN C[C@H]1OCC[C@H]1CNC(=O)C(C#N)Cc1cccs1 ZINC001177917762 915026493 /nfs/dbraw/zinc/02/64/93/915026493.db2.gz WTONNWGRRFETBY-GRYCIOLGSA-N 0 1 278.377 1.972 20 30 CDEDMN C=CCN1CC(C)(C)CC[C@@H]1CNC(=O)c1ncn(C)n1 ZINC001089634611 915027515 /nfs/dbraw/zinc/02/75/15/915027515.db2.gz CXMVHHZBTDVHDL-GFCCVEGCSA-N 0 1 291.399 1.222 20 30 CDEDMN N#CC(Cc1cccs1)C(=O)NCCc1nncs1 ZINC001177918304 915031402 /nfs/dbraw/zinc/03/14/02/915031402.db2.gz UUFPEVLEAQTFFJ-VIFPVBQESA-N 0 1 292.389 1.641 20 30 CDEDMN CC[C@H](C)[C@@H](CO)NC(=O)C(C#N)Cc1cccs1 ZINC001177918004 915032174 /nfs/dbraw/zinc/03/21/74/915032174.db2.gz YZEUMRYZBYKWEC-GMXVVIOVSA-N 0 1 280.393 1.954 20 30 CDEDMN C=C1CC=C(F)C=C1NC(=O)CN1CCN(C(C)C)CC1 ZINC001180351184 916276336 /nfs/dbraw/zinc/27/63/36/916276336.db2.gz RNOXUTWAVUHKBB-UHFFFAOYSA-N 0 1 293.386 1.826 20 30 CDEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(C)c1C)C2 ZINC001097801038 936384169 /nfs/dbraw/zinc/38/41/69/936384169.db2.gz MMJWXRFOEZKCML-YUELXQCFSA-N 0 1 273.380 1.855 20 30 CDEDMN N#CC1(CC(=O)N2CCN3CC[C@H]3C2)CCCCC1 ZINC001181363498 917021710 /nfs/dbraw/zinc/02/17/10/917021710.db2.gz VXMMYEKAFFXNED-ZDUSSCGKSA-N 0 1 261.369 1.767 20 30 CDEDMN C=CCOCC(=O)N1CC[C@@H](NCc2ccns2)C1 ZINC001181617906 917220753 /nfs/dbraw/zinc/22/07/53/917220753.db2.gz HVZONCYKGODBDH-LLVKDONJSA-N 0 1 281.381 1.036 20 30 CDEDMN C=C(Br)CNCCNC(=O)C[C@@H](C)OC ZINC001124621448 917504642 /nfs/dbraw/zinc/50/46/42/917504642.db2.gz NFVVLVDZBXRXTO-SECBINFHSA-N 0 1 279.178 1.026 20 30 CDEDMN C=CCN1CC[C@@]2(CCN(Cc3ccn(C)n3)C2)C1=O ZINC001272733675 917732384 /nfs/dbraw/zinc/73/23/84/917732384.db2.gz NPRHRDFZCRDZSR-OAHLLOKOSA-N 0 1 274.368 1.031 20 30 CDEDMN C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCc1ccco1)C2 ZINC001110282593 917807578 /nfs/dbraw/zinc/80/75/78/917807578.db2.gz JCOQRSVQVYORGK-YUELXQCFSA-N 0 1 272.348 1.567 20 30 CDEDMN N#C[C@@H]1CN(Cc2cccc3c2OC(F)(F)O3)CCC1=O ZINC001138068659 936463532 /nfs/dbraw/zinc/46/35/32/936463532.db2.gz MTFHBDORGCVKRQ-SNVBAGLBSA-N 0 1 294.257 1.923 20 30 CDEDMN N#Cc1cc[nH]c1NC(=O)[C@@H]1CCCN1CC1CC1 ZINC001182553896 917940086 /nfs/dbraw/zinc/94/00/86/917940086.db2.gz RORIBDMHQMIPIF-LBPRGKRZSA-N 0 1 258.325 1.699 20 30 CDEDMN C[C@H](C(=O)N1CCN2CC[C@@H]2C1)c1ccc(C#N)cc1 ZINC001182792969 918130943 /nfs/dbraw/zinc/13/09/43/918130943.db2.gz JMAMLODSNAMDNS-SWLSCSKDSA-N 0 1 269.348 1.578 20 30 CDEDMN C=CCCC(=O)NC[C@]12CCC[C@H]1N(CC(=O)NC)CC2 ZINC001107319734 918334734 /nfs/dbraw/zinc/33/47/34/918334734.db2.gz SGBPIZQMUHDMFI-CZUORRHYSA-N 0 1 293.411 1.059 20 30 CDEDMN C=CCN1C[C@@H](NC(=O)[C@H](C)C#N)CC2(CCOCC2)C1 ZINC001099571296 918571284 /nfs/dbraw/zinc/57/12/84/918571284.db2.gz DUGDDASXRMBXKB-KGLIPLIRSA-N 0 1 291.395 1.319 20 30 CDEDMN C#CCOc1ccc(CN2CC3(CN(C)C3)C2)cc1OC ZINC001138348158 936523912 /nfs/dbraw/zinc/52/39/12/936523912.db2.gz PHTARSWDVOHJQZ-UHFFFAOYSA-N 0 1 286.375 1.455 20 30 CDEDMN C=C(C)CCN1CCO[C@@](C)(CNC(=O)c2ccc[nH]2)C1 ZINC001107734815 918702734 /nfs/dbraw/zinc/70/27/34/918702734.db2.gz LZCDPBQPTYEXSK-INIZCTEOSA-N 0 1 291.395 1.802 20 30 CDEDMN C=CCCN1CCO[C@@](C)(CNC(=O)COCC2CC2)C1 ZINC001107765750 918767742 /nfs/dbraw/zinc/76/77/42/918767742.db2.gz CTYMRWYNDQMRNO-INIZCTEOSA-N 0 1 296.411 1.196 20 30 CDEDMN C=CCCC(=O)NC[C@]1(C)CN(CC[C@@H](C)F)CCO1 ZINC001107802398 918809775 /nfs/dbraw/zinc/80/97/75/918809775.db2.gz QOVPTSVVRXWBSI-UKRRQHHQSA-N 0 1 286.391 1.908 20 30 CDEDMN C=CCOCC(=O)NC[C@@]1(C)CN(CC2CCC2)CCO1 ZINC001107811345 918817747 /nfs/dbraw/zinc/81/77/47/918817747.db2.gz LDQJINDRLKCCJR-INIZCTEOSA-N 0 1 296.411 1.196 20 30 CDEDMN Cc1[nH]c(=O)[nH]c(=O)c1CN(CCC#N)C1CCCC1 ZINC001138468702 936539633 /nfs/dbraw/zinc/53/96/33/936539633.db2.gz ZWENGDYPSJLDTM-UHFFFAOYSA-N 0 1 276.340 1.855 20 30 CDEDMN C=CCCN1CCO[C@](C)(CNC(=O)CC[C@H](C)OC)C1 ZINC001107886888 918993184 /nfs/dbraw/zinc/99/31/84/918993184.db2.gz PRFGPINQYQRDDK-GOEBONIOSA-N 0 1 298.427 1.585 20 30 CDEDMN C=CCN1C[C@H](NC(=O)[C@H](F)CC)CC2(CCOCC2)C1 ZINC001099587078 918995786 /nfs/dbraw/zinc/99/57/86/918995786.db2.gz PGDWJYFRJZWKHT-ZIAGYGMSSA-N 0 1 298.402 1.908 20 30 CDEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)C#CC(C)C)C1 ZINC001107926719 919056412 /nfs/dbraw/zinc/05/64/12/919056412.db2.gz NEEGWMATQDNGGC-QGZVFWFLSA-N 0 1 292.423 1.819 20 30 CDEDMN C=CCCN1CCO[C@@](C)(CNC(=O)[C@@H]2CC2(F)F)C1 ZINC001107925563 919057558 /nfs/dbraw/zinc/05/75/58/919057558.db2.gz SYLKCZOGRJAMSY-AAEUAGOBSA-N 0 1 288.338 1.425 20 30 CDEDMN CC(C)C#CC(=O)NC[C@@]1(C)CN(C(C)C)CCO1 ZINC001107929929 919061082 /nfs/dbraw/zinc/06/10/82/919061082.db2.gz CFTDHBKUJLDAJI-HNNXBMFYSA-N 0 1 266.385 1.261 20 30 CDEDMN N#C[C@@H]1CN(Cc2cnn(-c3ccc(F)cc3)c2)CCC1=O ZINC001138652690 936555475 /nfs/dbraw/zinc/55/54/75/936555475.db2.gz FWUQRJRIQVAWJX-CYBMUJFWSA-N 0 1 298.321 1.926 20 30 CDEDMN N#C[C@@H]1CN(Cc2cccc3ccnn32)CCC1=O ZINC001138806315 936570884 /nfs/dbraw/zinc/57/08/84/936570884.db2.gz JEXJTHGFZBDPMJ-LLVKDONJSA-N 0 1 254.293 1.249 20 30 CDEDMN C=CCCCC(=O)N1CC[C@@H]([NH2+]Cc2nnc(C)[nH]2)C1 ZINC001185305225 919531251 /nfs/dbraw/zinc/53/12/51/919531251.db2.gz SCWXZYJJLWRINE-GFCCVEGCSA-N 0 1 277.372 1.160 20 30 CDEDMN C=CCOc1ccccc1C[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC001139029441 936589900 /nfs/dbraw/zinc/58/99/00/936589900.db2.gz YFOJTJALVWJTSH-CABCVRRESA-N 0 1 277.364 1.427 20 30 CDEDMN C=CCOc1ccccc1CN1CC[C@H](CO)[C@@H](O)C1 ZINC001139029441 936589902 /nfs/dbraw/zinc/58/99/02/936589902.db2.gz YFOJTJALVWJTSH-CABCVRRESA-N 0 1 277.364 1.427 20 30 CDEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)COCCC)C2 ZINC001110362281 919571864 /nfs/dbraw/zinc/57/18/64/919571864.db2.gz BWDKZKLZBGOIAZ-MCIONIFRSA-N 0 1 264.369 1.158 20 30 CDEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)CCOCC)C2 ZINC001110372486 919797160 /nfs/dbraw/zinc/79/71/60/919797160.db2.gz KCAOCSIFMMLIQJ-UPJWGTAASA-N 0 1 252.358 1.321 20 30 CDEDMN C=C(C)CN1CC[C@]2(CCCN2CC(OC)OC)C1=O ZINC001272861086 919926869 /nfs/dbraw/zinc/92/68/69/919926869.db2.gz JPZSSFDHNRXGHI-OAHLLOKOSA-N 0 1 282.384 1.248 20 30 CDEDMN C=CCCN1CCO[C@@](C)(CNC(=O)C2(C3CC3)CC2)C1 ZINC001108014573 919946523 /nfs/dbraw/zinc/94/65/23/919946523.db2.gz BOAWQONBTRVEAD-INIZCTEOSA-N 0 1 292.423 1.960 20 30 CDEDMN COCC#CCN1C[C@@H]2CCN(C(=O)c3ccccc3)[C@@H]2C1 ZINC001186673996 920149843 /nfs/dbraw/zinc/14/98/43/920149843.db2.gz GLJMFUAFMGRPMY-DLBZAZTESA-N 0 1 298.386 1.483 20 30 CDEDMN C#CCCCN1CC2(C1)COCC(=O)N2[C@@H](C)CC ZINC001273537683 920418425 /nfs/dbraw/zinc/41/84/25/920418425.db2.gz KLDMLCRGEGNXPE-ZDUSSCGKSA-N 0 1 264.369 1.112 20 30 CDEDMN COC[C@]12COC[C@H]1CN(Cc1cc(F)cc(C#N)c1)C2 ZINC001139874577 936655306 /nfs/dbraw/zinc/65/53/06/936655306.db2.gz DDLHFCJKFHWVAT-GDBMZVCRSA-N 0 1 290.338 1.792 20 30 CDEDMN C=CCOCC(=O)N1CC[C@H]2C[N@H+](C/C=C\Cl)C[C@H]21 ZINC001187280297 920447058 /nfs/dbraw/zinc/44/70/58/920447058.db2.gz IOLBEGCCIHHRMG-QMVVBGKPSA-N 0 1 284.787 1.474 20 30 CDEDMN C=CCOCC(=O)N1CC[C@H]2CN(C/C=C\Cl)C[C@H]21 ZINC001187280297 920447065 /nfs/dbraw/zinc/44/70/65/920447065.db2.gz IOLBEGCCIHHRMG-QMVVBGKPSA-N 0 1 284.787 1.474 20 30 CDEDMN C[S@@](=O)c1ccccc1C(=O)Nc1nc[nH]c1C#N ZINC001187820504 920672962 /nfs/dbraw/zinc/67/29/62/920672962.db2.gz RSOPEBIMGXYDJG-LJQANCHMSA-N 0 1 274.305 1.271 20 30 CDEDMN C=CCS(=O)(=O)Nc1cnc(C(F)(F)F)cn1 ZINC001259923247 945707715 /nfs/dbraw/zinc/70/77/15/945707715.db2.gz ZNVUPJXQDQRZAY-UHFFFAOYSA-N 0 1 267.232 1.423 20 30 CDEDMN CN(C)C(=O)CCN(C)Cc1ccc(C#N)cc1F ZINC001140139152 936682349 /nfs/dbraw/zinc/68/23/49/936682349.db2.gz JDXUEBYFJNBUHB-UHFFFAOYSA-N 0 1 263.316 1.607 20 30 CDEDMN C#CCN1CCC2(CN(C(=O)c3ccc4c(c3)CCO4)C2)C1 ZINC001073010024 936715145 /nfs/dbraw/zinc/71/51/45/936715145.db2.gz WBKWLMMSGZQOOL-UHFFFAOYSA-N 0 1 296.370 1.403 20 30 CDEDMN CCCCCNC(=O)C(C#N)C(=O)CSC1CC1 ZINC000835056813 936715533 /nfs/dbraw/zinc/71/55/33/936715533.db2.gz OSVPAAFWWSJNQV-LLVKDONJSA-N 0 1 268.382 1.897 20 30 CDEDMN C=CC(C)(C)CC(=O)N1CC[C@@H](N(C)CC#CCOC)C1 ZINC001190398311 921987552 /nfs/dbraw/zinc/98/75/52/921987552.db2.gz VHUUTNDUDPBQRO-OAHLLOKOSA-N 0 1 292.423 1.771 20 30 CDEDMN C=CCCOCC(=O)N1CC[C@H]2CN(C[C@H](F)CC)C[C@H]21 ZINC001190431108 922009107 /nfs/dbraw/zinc/00/91/07/922009107.db2.gz SUKMVQRUAQPYEB-RRFJBIMHSA-N 0 1 298.402 1.860 20 30 CDEDMN COC(=O)[C@@H]1CC[C@@H](C)N(Cc2ccc(C#N)nc2)C1 ZINC001140540267 936722347 /nfs/dbraw/zinc/72/23/47/936722347.db2.gz OXZKTZNQQUXSLQ-DGCLKSJQSA-N 0 1 273.336 1.727 20 30 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C#CCN1CC[C@H](N(C)C(=O)C2C(C)(C)C2(C)C)C1 ZINC001032988765 740926130 /nfs/dbraw/zinc/92/61/30/740926130.db2.gz MWFXNBJCKIOPRL-LBPRGKRZSA-N 0 1 262.397 1.835 20 30 CDEDMN C=CCCn1cc(CN[C@](C)(CC)CC(=O)OC)nn1 ZINC000846831116 740927223 /nfs/dbraw/zinc/92/72/23/740927223.db2.gz JJGMNIFQZSHGQW-CQSZACIVSA-N 0 1 280.372 1.676 20 30 CDEDMN C=C(C)CN1CC[C@H]1CNC(=O)[C@H]1CCCc2n[nH]cc21 ZINC001038247957 740936074 /nfs/dbraw/zinc/93/60/74/740936074.db2.gz XFSRZTVOZFTQDI-STQMWFEESA-N 0 1 288.395 1.596 20 30 CDEDMN Cc1c(C(=O)N(C)[C@H]2CCN(CC#N)C2)ccc2cncn21 ZINC001033219621 740936577 /nfs/dbraw/zinc/93/65/77/740936577.db2.gz JWORDZILRJHJNS-AWEZNQCLSA-N 0 1 297.362 1.313 20 30 CDEDMN C#CCN1CCC[C@H]1CNC(=O)c1cc(C)n(C)c1C ZINC001028304457 740957112 /nfs/dbraw/zinc/95/71/12/740957112.db2.gz TWLGTWCLLXCFOI-AWEZNQCLSA-N 0 1 273.380 1.469 20 30 CDEDMN C=C(Cl)CN1CCC[C@@H](NC(=O)Cc2cnc[nH]2)C1 ZINC001008679651 740973276 /nfs/dbraw/zinc/97/32/76/740973276.db2.gz FQSMODXICMMYAE-LLVKDONJSA-N 0 1 282.775 1.285 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288.355 1.087 20 30 CDEDMN C=CCN1CC[C@H](NC(=O)c2cnn(-c3cccnc3)c2)C1 ZINC001014710419 741040769 /nfs/dbraw/zinc/04/07/69/741040769.db2.gz GXGFVTUYMHOWKY-AWEZNQCLSA-N 0 1 297.362 1.257 20 30 CDEDMN C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@]3(F)CCOC3)C2)C1 ZINC001040353609 741050637 /nfs/dbraw/zinc/05/06/37/741050637.db2.gz JWVWTUQRUJQYLJ-HZPDHXFCSA-N 0 1 294.370 1.063 20 30 CDEDMN Cc1ccc(C)c2c1CCCC2=NNC1=NCCN1 ZINC000841661862 741053526 /nfs/dbraw/zinc/05/35/26/741053526.db2.gz SVRSCBGWSBETQZ-UHFFFAOYSA-N 0 1 256.353 1.893 20 30 CDEDMN N#CC[C@@H](O)CN1CC=C(c2ccc(O)cc2)CC1 ZINC000929176212 741059930 /nfs/dbraw/zinc/05/99/30/741059930.db2.gz YRSLPHGQGGTNIK-OAHLLOKOSA-N 0 1 258.321 1.756 20 30 CDEDMN CC#CCN1CCC(NC(=O)c2c[nH]c3ncccc23)CC1 ZINC001004173319 741133311 /nfs/dbraw/zinc/13/33/11/741133311.db2.gz GZIHFXMHVQNRJN-UHFFFAOYSA-N 0 1 296.374 1.780 20 30 CDEDMN C=CC[C@@H]1CCCN(CN2CC(=O)N(C(C)C)C2=O)C1 ZINC000853536504 741133605 /nfs/dbraw/zinc/13/36/05/741133605.db2.gz 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[O-]C(=[NH+]CCn1ccnc1)N1CCC[C@@H]1C1CCOCC1 ZINC000329409865 361502890 /nfs/dbraw/zinc/50/28/90/361502890.db2.gz BROAVTYPQOKQFU-CQSZACIVSA-N 0 1 292.383 1.688 20 30 CDEDMN CN(CC(=O)NCc1nnc(C2CC2)o1)[C@@H]1CCSC1 ZINC000329388612 361496967 /nfs/dbraw/zinc/49/69/67/361496967.db2.gz RKTKPAHCCWKQGN-SNVBAGLBSA-N 0 1 296.396 1.841 20 30 CDEDMN C=CCOc1ccc(C(=O)NCCN2CC[C@H](O)C2)cc1 ZINC000629911644 364143201 /nfs/dbraw/zinc/14/32/01/364143201.db2.gz PKFVGPVYSXGTKT-AWEZNQCLSA-N 0 1 290.363 1.048 20 30 CDEDMN C#CCNC(=O)CCN1CCO[C@H](C2CCCCC2)C1 ZINC000491203234 364858210 /nfs/dbraw/zinc/85/82/10/364858210.db2.gz UITKZKMZOJSJSU-HNNXBMFYSA-N 0 1 278.396 1.407 20 30 CDEDMN C=CCN1CC[C@H](n2cc([C@H](N)c3ccccc3)nn2)C1=O ZINC000641109269 365064063 /nfs/dbraw/zinc/06/40/63/365064063.db2.gz QDCNQVHAAIIYPM-LSDHHAIUSA-N 0 1 297.362 1.286 20 30 CDEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)NCC[C@@H]1CC=CCC1 ZINC001580044213 1172331242 /nfs/dbraw/zinc/33/12/42/1172331242.db2.gz XWDOJBMEXOSASP-UPJWGTAASA-N 0 1 262.357 1.144 20 30 CDEDMN CN(CC(=O)N1CCC(CCC#N)CC1)[C@H]1CCSC1 ZINC000516573288 366878704 /nfs/dbraw/zinc/87/87/04/366878704.db2.gz YERLSJFJDGAXHH-AWEZNQCLSA-N 0 1 295.452 1.966 20 30 CDEDMN C[C@@](O)(CNCc1ccc(C#N)cc1)C(F)(F)F ZINC000270450757 366881242 /nfs/dbraw/zinc/88/12/42/366881242.db2.gz CDNPICGSCZZTHW-LLVKDONJSA-N 0 1 258.243 1.961 20 30 CDEDMN CC[C@@H](CC#N)NC(=O)CSc1nnc(C)[nH]1 ZINC000358075777 367412064 /nfs/dbraw/zinc/41/20/64/367412064.db2.gz GYRAAPYNJINKTK-QMMMGPOBSA-N 0 1 253.331 1.014 20 30 CDEDMN CC[C@@H](CC#N)NC(=O)CSc1nc(C)n[nH]1 ZINC000358075777 367412070 /nfs/dbraw/zinc/41/20/70/367412070.db2.gz GYRAAPYNJINKTK-QMMMGPOBSA-N 0 1 253.331 1.014 20 30 CDEDMN C[C@@H](C(=O)N[C@]1(C#N)CCOC1)N(C)Cc1ccccc1 ZINC000358464672 367702627 /nfs/dbraw/zinc/70/26/27/367702627.db2.gz UCGVCRKGCSLINI-BBRMVZONSA-N 0 1 287.363 1.306 20 30 CDEDMN C=CCOCCCC(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000358674228 367865486 /nfs/dbraw/zinc/86/54/86/367865486.db2.gz HLRLYBIBSUDKCI-BETUJISGSA-N 0 1 254.374 1.520 20 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285.343 1.165 20 30 CDEDMN Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H]1CCCN1C ZINC000224010669 371212644 /nfs/dbraw/zinc/21/26/44/371212644.db2.gz FOKDKMOTFSIVBU-CYBMUJFWSA-N 0 1 293.392 1.239 20 30 CDEDMN CCC[C@@H](O)CN1CCN(c2ccccc2C#N)CC1 ZINC000297242225 371973585 /nfs/dbraw/zinc/97/35/85/371973585.db2.gz UVOBEYVWKRUBSR-OAHLLOKOSA-N 0 1 273.380 1.841 20 30 CDEDMN CC(=Cc1ccc(O)c(CO)c1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000193609065 372048128 /nfs/dbraw/zinc/04/81/28/372048128.db2.gz AUTIWJXMRNNNTK-UITAMQMPSA-N 0 1 297.314 1.708 20 30 CDEDMN CCS(=O)(=O)C[C@@H](C)NCc1cc(C#N)cs1 ZINC000177700149 372109267 /nfs/dbraw/zinc/10/92/67/372109267.db2.gz KHSIRRLTJHGYRJ-SECBINFHSA-N 0 1 272.395 1.533 20 30 CDEDMN CC#CCCCC(=O)Nc1cc(C(=O)OCC)[nH]n1 ZINC000185035243 372659208 /nfs/dbraw/zinc/65/92/08/372659208.db2.gz YBQPTAFAUWCABG-UHFFFAOYSA-N 0 1 263.297 1.719 20 30 CDEDMN C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)s2)CN1C1CC1 ZINC000333073143 205006924 /nfs/dbraw/zinc/00/69/24/205006924.db2.gz PDISJSYAFVCNPP-ZJUUUORDSA-N 0 1 275.377 1.975 20 30 CDEDMN CN1CCC[C@H]1C(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000269593881 373024174 /nfs/dbraw/zinc/02/41/74/373024174.db2.gz DELVABRPZACAHC-AWEZNQCLSA-N 0 1 269.348 1.758 20 30 CDEDMN CCN(CC(=O)NC1(C#N)CCCCC1)C[C@H](C)O ZINC000352203164 284397441 /nfs/dbraw/zinc/39/74/41/284397441.db2.gz PQMZVEFQJRNASY-LBPRGKRZSA-N 0 1 267.373 1.032 20 30 CDEDMN CCC(C#N)(CC)C(=O)N[C@@H]1CCC[N@@H+](CCOC)C1 ZINC000398941682 373704365 /nfs/dbraw/zinc/70/43/65/373704365.db2.gz HRSXGHHZWRVPOJ-CYBMUJFWSA-N 0 1 281.400 1.543 20 30 CDEDMN CCC(C#N)(CC)C(=O)N[C@@H]1CCCN(CCOC)C1 ZINC000398941682 373704376 /nfs/dbraw/zinc/70/43/76/373704376.db2.gz HRSXGHHZWRVPOJ-CYBMUJFWSA-N 0 1 281.400 1.543 20 30 CDEDMN C[C@H]1[C@H](N2CCOCC2)CCN1Cc1cc(C#N)cs1 ZINC000356264549 373837338 /nfs/dbraw/zinc/83/73/38/373837338.db2.gz SWSZOXAKCCIFFX-SWLSCSKDSA-N 0 1 291.420 1.915 20 30 CDEDMN N#Cc1cccc(CCNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000359931173 373991440 /nfs/dbraw/zinc/99/14/40/373991440.db2.gz ILETWHWFTHELSY-OAHLLOKOSA-N 0 1 298.390 1.637 20 30 CDEDMN C=CCOc1ccccc1CN[C@H]1CS(=O)(=O)C[C@@H]1C ZINC000342412937 374141559 /nfs/dbraw/zinc/14/15/59/374141559.db2.gz HYAFEYVAGBVQPH-JSGCOSHPSA-N 0 1 295.404 1.774 20 30 CDEDMN CCOC(=O)[C@@H]1NCC[C@@H]1N[C@@H](C)c1ccc(C#N)cc1 ZINC000422978190 374366672 /nfs/dbraw/zinc/36/66/72/374366672.db2.gz YQJBCJTYFSARTO-TUKIKUTGSA-N 0 1 287.363 1.502 20 30 CDEDMN C[C@@H]1CC(=O)NCCN1CCOc1cccc(C#N)c1 ZINC000375845186 374517300 /nfs/dbraw/zinc/51/73/00/374517300.db2.gz XUOZJIKXXCGXGA-GFCCVEGCSA-N 0 1 273.336 1.147 20 30 CDEDMN N#Cc1cc(N[C@@H]2CCCC[C@H]2N2CCOCC2)ccn1 ZINC000376399779 374554772 /nfs/dbraw/zinc/55/47/72/374554772.db2.gz YWWLDGKGTZVPIB-HZPDHXFCSA-N 0 1 286.379 1.430 20 30 CDEDMN CCN1C[C@@H](C)N(C(=O)N[C@@H]2CC[C@H](C#N)C2)C[C@@H]1C ZINC000425612363 374656609 /nfs/dbraw/zinc/65/66/09/374656609.db2.gz QBOAMKDKKOQDCW-RFQIPJPRSA-N 0 1 278.400 1.803 20 30 CDEDMN N#Cc1ccc(CN[C@H](CO)[C@H]2CCCO2)c(Cl)c1 ZINC000447921899 374723697 /nfs/dbraw/zinc/72/36/97/374723697.db2.gz MYQBLSNDZVKFRN-ZIAGYGMSSA-N 0 1 280.755 1.841 20 30 CDEDMN N#CCNC(=O)CN1CC[C@H](Cc2ccccc2)C1 ZINC000124178967 374766368 /nfs/dbraw/zinc/76/63/68/374766368.db2.gz VPXDEGDLCQPOKS-CQSZACIVSA-N 0 1 257.337 1.191 20 30 CDEDMN C=CCNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000042925869 374883448 /nfs/dbraw/zinc/88/34/48/374883448.db2.gz WYKALLGAORSLSR-UHFFFAOYSA-N 0 1 298.390 1.962 20 30 CDEDMN C=CCNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000042925869 374883455 /nfs/dbraw/zinc/88/34/55/374883455.db2.gz WYKALLGAORSLSR-UHFFFAOYSA-N 0 1 298.390 1.962 20 30 CDEDMN CC[C@@H](C)[C@@H](OC)C(=O)N=c1[nH]n(C(C)C)cc1C#N ZINC000331143303 374895635 /nfs/dbraw/zinc/89/56/35/374895635.db2.gz FUWGXHYVNQXIFH-ZYHUDNBSSA-N 0 1 278.356 1.757 20 30 CDEDMN C[C@@H](O)CN1CCN(Cc2cccc(C#N)c2F)[C@H](C)C1 ZINC000330397903 374852014 /nfs/dbraw/zinc/85/20/14/374852014.db2.gz HHYVJDZHHRDFSO-CHWSQXEVSA-N 0 1 291.370 1.584 20 30 CDEDMN C[C@@H]1CCN(Cc2nnc(-c3cccc(C#N)c3)o2)[C@H]1CO 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ZINC000328796244 375973535 /nfs/dbraw/zinc/97/35/35/375973535.db2.gz CXPFQWIBVTWNQE-SRVKXCTJSA-N 0 1 283.372 1.419 20 30 CDEDMN Cc1cc(=O)c(C(=O)N[C@@H](C)c2nnc[nH]2)cn1C1CC1 ZINC000328800398 375975521 /nfs/dbraw/zinc/97/55/21/375975521.db2.gz YJGGTOOZJUKTJS-VIFPVBQESA-N 0 1 287.323 1.676 20 30 CDEDMN COC1(C(=O)N[C@H]2CCCc3cn[nH]c32)CCOCC1 ZINC000328803627 375975750 /nfs/dbraw/zinc/97/57/50/375975750.db2.gz KBNHQSNWVHVZMG-NSHDSACASA-N 0 1 279.340 1.939 20 30 CDEDMN CC[C@H]([NH+]=C([O-])N[C@@H]1CCc2c[nH]nc2C1)[C@H]1CCCO1 ZINC000328870035 375995480 /nfs/dbraw/zinc/99/54/80/375995480.db2.gz PITWTQAREAXDDS-MBNYWOFBSA-N 0 1 292.383 1.728 20 30 CDEDMN CC[C@H](NC([O-])=[NH+][C@@H]1CCc2c[nH]nc2C1)[C@H]1CCCO1 ZINC000328870035 375995489 /nfs/dbraw/zinc/99/54/89/375995489.db2.gz PITWTQAREAXDDS-MBNYWOFBSA-N 0 1 292.383 1.728 20 30 CDEDMN O=C(CN1CCC[C@@H]1[C@@H]1CCCO1)NC[C@H]1CCCO1 ZINC000328872272 375995526 /nfs/dbraw/zinc/99/55/26/375995526.db2.gz DTYGRUSLBWTHLP-MCIONIFRSA-N 0 1 282.384 1.765 20 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N#Cc1ccc([C@H](C(=O)[O-])[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC001608199709 1164448446 /nfs/dbraw/zinc/44/84/46/1164448446.db2.gz OLRZVIQJURYVTK-GRYCIOLGSA-N 0 1 278.258 1.881 20 30 CDEDMN C#C[C@H](NCc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCO1 ZINC001609018983 1164724986 /nfs/dbraw/zinc/72/49/86/1164724986.db2.gz KFCJKZQFVUJJLG-KBPBESRZSA-N 0 1 283.335 1.137 20 30 CDEDMN C=CC[C@@H]1[N@@H+](C[C@@](C)(O)C(=O)[O-])CCCC1(C)C ZINC001609324616 1164904617 /nfs/dbraw/zinc/90/46/17/1164904617.db2.gz HAHVNCBXFYLUPM-SMDDNHRTSA-N 0 1 255.358 1.889 20 30 CDEDMN C[C@H](CCC#N)C[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC001609738197 1165061829 /nfs/dbraw/zinc/06/18/29/1165061829.db2.gz WCKKESDFWPFWDY-GHMZBOCLSA-N 0 1 256.371 1.818 20 30 CDEDMN N#Cc1ccc(C[NH+]2CCC([C@H](O)C(=O)[O-])CC2)c(F)c1 ZINC001610628154 1165385533 /nfs/dbraw/zinc/38/55/33/1165385533.db2.gz PYFNXSSVMKYBLQ-AWEZNQCLSA-N 0 1 292.310 1.355 20 30 CDEDMN C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)N(CC)CCF ZINC001155325911 1167128043 /nfs/dbraw/zinc/12/80/43/1167128043.db2.gz KUWIBACUDGEPSX-UPJWGTAASA-N 0 1 272.364 1.374 20 30 CDEDMN Cn1nccc1C(=O)Nc1nc(-c2cccc(C#N)c2)n[nH]1 ZINC001641930117 1167146994 /nfs/dbraw/zinc/14/69/94/1167146994.db2.gz OXBFYRHOOWUKMN-UHFFFAOYSA-N 0 1 293.290 1.329 20 30 CDEDMN C=CCCC(=O)NCCCNCc1csc(COC)n1 ZINC001155579493 1167239223 /nfs/dbraw/zinc/23/92/23/1167239223.db2.gz CFLFHTIGYWTWAU-UHFFFAOYSA-N 0 1 297.424 1.852 20 30 CDEDMN C=CCCC(=O)NCCCNCc1nccn1C(F)F ZINC001155580075 1167239720 /nfs/dbraw/zinc/23/97/20/1167239720.db2.gz PXVXMXWHUXDTBL-UHFFFAOYSA-N 0 1 286.326 1.840 20 30 CDEDMN C=CCN1CCC[C@H]1CNC(=O)c1ccn2ncnc2c1 ZINC001155593564 1167249790 /nfs/dbraw/zinc/24/97/90/1167249790.db2.gz CGNNIGJAQBXANK-ZDUSSCGKSA-N 0 1 285.351 1.110 20 30 CDEDMN Cc1nc2ccc(Cn3ccc(C#N)cc3=O)cc2[nH]1 ZINC001644091106 1167293167 /nfs/dbraw/zinc/29/31/67/1167293167.db2.gz ISTCQANMXCJABG-UHFFFAOYSA-N 0 1 264.288 1.953 20 30 CDEDMN CC(C)(C)N1CCN(C(=O)Nc2cccc(C#N)n2)CC1 ZINC001647238388 1168478231 /nfs/dbraw/zinc/47/82/31/1168478231.db2.gz WCFBOWJOFISSNJ-UHFFFAOYSA-N 0 1 287.367 1.901 20 30 CDEDMN CCC[C@@H](C#N)NC(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC001577325172 1171642794 /nfs/dbraw/zinc/64/27/94/1171642794.db2.gz QKSNHWBDLXGIOT-FZMZJTMJSA-N 0 1 290.323 1.577 20 30 CDEDMN Cc1ccc(C#N)cc1C(=O)NCc1cc(N)ccn1 ZINC001579658350 1172235748 /nfs/dbraw/zinc/23/57/48/1172235748.db2.gz LONZGITWFBZCED-UHFFFAOYSA-N 0 1 266.304 1.774 20 30 CDEDMN N#Cc1ccc2nc(NC(=O)c3cnn(CCF)c3)[nH]c2c1 ZINC001587347505 1172982880 /nfs/dbraw/zinc/98/28/80/1172982880.db2.gz ONMQRVNYTGGTBN-UHFFFAOYSA-N 0 1 298.281 1.853 20 30 CDEDMN C#CC[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001588337674 1173042176 /nfs/dbraw/zinc/04/21/76/1173042176.db2.gz URZPVJMWSXKLHE-JTQLQIEISA-N 0 1 273.365 1.773 20 30 CDEDMN C#CC[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001588337674 1173042186 /nfs/dbraw/zinc/04/21/86/1173042186.db2.gz URZPVJMWSXKLHE-JTQLQIEISA-N 0 1 273.365 1.773 20 30 CDEDMN C#CC[C@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001588337674 1173042191 /nfs/dbraw/zinc/04/21/91/1173042191.db2.gz URZPVJMWSXKLHE-JTQLQIEISA-N 0 1 273.365 1.773 20 30 CDEDMN CC(C)(C)c1coc(Cn2cnc(-c3nn[nH]n3)c2C#N)n1 ZINC001589234351 1173130570 /nfs/dbraw/zinc/13/05/70/1173130570.db2.gz PFXORXPSRUMNLE-UHFFFAOYSA-N 0 1 298.310 1.269 20 30 CDEDMN CC1(C)CC[C@H](Cn2cnc(-c3nn[nH]n3)c2C#N)OC1 ZINC001590091080 1173254087 /nfs/dbraw/zinc/25/40/87/1173254087.db2.gz WPFSOXZAPSENMH-SECBINFHSA-N 0 1 287.327 1.140 20 30 CDEDMN CN(Cc1ccccc1-c1nn[nH]n1)[C@H]1CCC[C@H]1C#N ZINC001591147787 1173581786 /nfs/dbraw/zinc/58/17/86/1173581786.db2.gz CVDOMJMHCSHMOT-FZMZJTMJSA-N 0 1 282.351 1.991 20 30 CDEDMN N#CC[C@@]1(O)CC[N@@H+](Cc2cc(C(=O)[O-])cs2)C1 ZINC001601062337 1174721828 /nfs/dbraw/zinc/72/18/28/1174721828.db2.gz IDVMHXGOUDBCAW-GFCCVEGCSA-N 0 1 266.322 1.297 20 30 CDEDMN C#CCOc1ccccc1C[N@@H+]1CC[C@@H](C(=O)[O-])[C@@H]1C ZINC001602733862 1175376977 /nfs/dbraw/zinc/37/69/77/1175376977.db2.gz 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C[C@@H]1CCCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)CC1 ZINC001603897246 1175676282 /nfs/dbraw/zinc/67/62/82/1175676282.db2.gz FTQXNCZHQBPQPM-SECBINFHSA-N 0 1 284.327 1.155 20 30 CDEDMN C#CCN1CC[C@@H](NC(=O)CCc2ccc(N(C)C)cc2)C1 ZINC001713083792 1178354405 /nfs/dbraw/zinc/35/44/05/1178354405.db2.gz UIAWZYXOZHCIGH-MRXNPFEDSA-N 0 1 299.418 1.509 20 30 CDEDMN C=C(Cl)CNC[C@H](C)NC(=O)c1cnc(C)cn1 ZINC001715965972 1179946052 /nfs/dbraw/zinc/94/60/52/1179946052.db2.gz VSQJGDKPFFULEN-JTQLQIEISA-N 0 1 268.748 1.245 20 30 CDEDMN N#Cc1cnn(-c2ccccn2)c1NS(=O)(=O)C1CC1 ZINC000170550899 1181216205 /nfs/dbraw/zinc/21/62/05/1181216205.db2.gz CRHUIZRRRHGMNN-UHFFFAOYSA-N 0 1 289.320 1.043 20 30 CDEDMN C#CCOCCC(=O)NCCN(C)Cc1ccsc1 ZINC001753048986 1182205339 /nfs/dbraw/zinc/20/53/39/1182205339.db2.gz NHHIGIUFLYIKCU-UHFFFAOYSA-N 0 1 280.393 1.336 20 30 CDEDMN CC#CCN1CC[C@@H](N(CC)C(=O)CCn2cccc2)C1 ZINC001753458373 1184544986 /nfs/dbraw/zinc/54/49/86/1184544986.db2.gz GTOOEZGQBJJBFZ-MRXNPFEDSA-N 0 1 287.407 1.824 20 30 CDEDMN C#CCCN1CCN(CCNC(=O)C[C@@H](C)C2CC2)CC1 ZINC001752381560 1184854806 /nfs/dbraw/zinc/85/48/06/1184854806.db2.gz IRSRNOODLZTZDP-OAHLLOKOSA-N 0 1 291.439 1.180 20 30 CDEDMN C=CCN1CCN(CCNC(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC001752367873 1184855015 /nfs/dbraw/zinc/85/50/15/1184855015.db2.gz WXTFBJYGGDRRAE-HUUCEWRRSA-N 0 1 293.455 1.588 20 30 CDEDMN C=C(C)CN1CCN(CCNC(=O)[C@@H](C)[C@H](C)CC)CC1 ZINC001752375279 1184855424 /nfs/dbraw/zinc/85/54/24/1184855424.db2.gz VSDOBJZQGCHVEF-CVEARBPZSA-N 0 1 295.471 1.979 20 30 CDEDMN C=C/C(C)=C\CC(=O)N[C@@H]1[C@H]2CN(CC#CCOC)C[C@H]21 ZINC001752845367 1184931911 /nfs/dbraw/zinc/93/19/11/1184931911.db2.gz QNEAODDVJKGTLR-QUONPWQJSA-N 0 1 288.391 1.205 20 30 CDEDMN C#CCN(C)CCNC(=O)[C@@H]1CCc2ccc(OC)cc21 ZINC001753051500 1185020052 /nfs/dbraw/zinc/02/00/52/1185020052.db2.gz FJKZIJYWWIOCRB-OAHLLOKOSA-N 0 1 286.375 1.406 20 30 CDEDMN C#CCN(CC)CCNC(=O)c1scc2c1OCCO2 ZINC001753092718 1185054988 /nfs/dbraw/zinc/05/49/88/1185054988.db2.gz KVTQUSNLKCYYFU-UHFFFAOYSA-N 0 1 294.376 1.204 20 30 CDEDMN CC#CCN(CCNC(=O)COCC1CCCC1)C1CC1 ZINC001753156331 1185091370 /nfs/dbraw/zinc/09/13/70/1185091370.db2.gz QFIDNKPMAPCOIF-UHFFFAOYSA-N 0 1 292.423 1.797 20 30 CDEDMN CN(CCNCc1ccccc1C#N)C(=O)[C@@H]1CC12CC2 ZINC001753234481 1185125925 /nfs/dbraw/zinc/12/59/25/1185125925.db2.gz AESHIYFWRVWAKQ-HNNXBMFYSA-N 0 1 283.375 1.906 20 30 CDEDMN C#CCN[C@H](CNC(=O)c1ccc(OC)o1)c1ccccc1 ZINC001753313211 1185150141 /nfs/dbraw/zinc/15/01/41/1185150141.db2.gz VLIJOLUYOGLVBD-CQSZACIVSA-N 0 1 298.342 1.982 20 30 CDEDMN C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001753435309 1185206880 /nfs/dbraw/zinc/20/68/80/1185206880.db2.gz PVELPELEJUNIMI-LBPRGKRZSA-N 0 1 292.383 1.536 20 30 CDEDMN C=CCCC[N@H+]1CC[C@H](N(C)C(=O)c2[nH]nc(C)c2[O-])C1 ZINC001753435309 1185206886 /nfs/dbraw/zinc/20/68/86/1185206886.db2.gz PVELPELEJUNIMI-LBPRGKRZSA-N 0 1 292.383 1.536 20 30 CDEDMN C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)c2[nH]nc(C)c2[O-])C1 ZINC001753435309 1185206892 /nfs/dbraw/zinc/20/68/92/1185206892.db2.gz PVELPELEJUNIMI-LBPRGKRZSA-N 0 1 292.383 1.536 20 30 CDEDMN CC[C@H](CNC(=O)C#CC1CC1)N[C@H](C)c1cnccn1 ZINC001753472095 1185225842 /nfs/dbraw/zinc/22/58/42/1185225842.db2.gz ZNWNRNWXCSFARL-TZMCWYRMSA-N 0 1 286.379 1.435 20 30 CDEDMN CC#CC[NH2+][C@H]1CC[C@H](NC(=O)c2ncccc2[O-])CC1 ZINC001753582962 1185258539 /nfs/dbraw/zinc/25/85/39/1185258539.db2.gz RZOVLABMZQHMSF-JOCQHMNTSA-N 0 1 287.363 1.441 20 30 CDEDMN CCc1cnc(CNCC[C@@H](C)NC(=O)[C@@H](C)C#N)o1 ZINC001753953572 1185406910 /nfs/dbraw/zinc/40/69/10/1185406910.db2.gz PQMZEGPLTFVUJF-WDEREUQCSA-N 0 1 278.356 1.381 20 30 CDEDMN C=C(Cl)CNCCN(CC)C(=O)C(=O)C(C)(C)C ZINC001754039273 1185437157 /nfs/dbraw/zinc/43/71/57/1185437157.db2.gz RZTFPZIEQRCGBO-UHFFFAOYSA-N 0 1 274.792 1.792 20 30 CDEDMN CC#CCCCC(=O)NC/C=C\CNCc1cnn(C)c1 ZINC001754159051 1185487413 /nfs/dbraw/zinc/48/74/13/1185487413.db2.gz LOAXKIVCULEBCO-FPLPWBNLSA-N 0 1 288.395 1.376 20 30 CDEDMN CC#CCN(C)C[C@@H](C)NC(=O)[C@@H]1CCO[C@H]1CC ZINC001754317890 1185574412 /nfs/dbraw/zinc/57/44/12/1185574412.db2.gz JHLKQAVWHMUREK-MCIONIFRSA-N 0 1 266.385 1.261 20 30 CDEDMN C#CCCN1CC[C@@H]1CNC(=O)C1(CCOC)CC1 ZINC001754484551 1185637994 /nfs/dbraw/zinc/63/79/94/1185637994.db2.gz CNEFVLQMAOJVFQ-CYBMUJFWSA-N 0 1 264.369 1.017 20 30 CDEDMN C#CCCN1CC[C@H]1CNC(=O)Cc1c(F)cccc1F ZINC001754492260 1185640296 /nfs/dbraw/zinc/64/02/96/1185640296.db2.gz ZFPWKXJMISSJTH-LBPRGKRZSA-N 0 1 292.329 1.721 20 30 CDEDMN C=C[C@@](C)(O)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC ZINC001754551365 1185665571 /nfs/dbraw/zinc/66/55/71/1185665571.db2.gz BZEAINSPYWZYGK-VNHYZAJKSA-N 0 1 266.385 1.399 20 30 CDEDMN C=C(C)CN1CCC[C@@](CO)(NC(=O)C[C@@H](C)COC)C1 ZINC001754859272 1185749591 /nfs/dbraw/zinc/74/95/91/1185749591.db2.gz SVKQNFRSOMAMIM-GDBMZVCRSA-N 0 1 298.427 1.178 20 30 CDEDMN COCC#CCN1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC1 ZINC001754862921 1185750423 /nfs/dbraw/zinc/75/04/23/1185750423.db2.gz UCGWVMLSRZHEHN-GJZGRUSLSA-N 0 1 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GBCFZRZITPXBRI-JTQLQIEISA-N 0 1 285.303 1.944 20 30 CDEDMN C[C@H](CS)Oc1[nH]c(=O)nc2ccc(C(N)=O)cc21 ZINC001234516575 943875508 /nfs/dbraw/zinc/87/55/08/943875508.db2.gz WGXFXNLHBVFSSB-ZCFIWIBFSA-N 0 1 279.321 1.131 20 30 CDEDMN C=CC(C)(C)CC(=O)N(C)C[C@H]1CCN1CCCO ZINC001234555182 943890453 /nfs/dbraw/zinc/89/04/53/943890453.db2.gz RCPCMHCDABTQEN-CYBMUJFWSA-N 0 1 268.401 1.504 20 30 CDEDMN C=CCN1CC[C@H]1CN(C)C(=O)CCc1cnn(C)c1C ZINC001234593157 943907307 /nfs/dbraw/zinc/90/73/07/943907307.db2.gz FZIFGMCYXYPELK-HNNXBMFYSA-N 0 1 290.411 1.380 20 30 CDEDMN C=CC[C@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C(=O)[O-] ZINC001263630785 943923429 /nfs/dbraw/zinc/92/34/29/943923429.db2.gz XLUGQHYCUIYIJC-NEPJUHHUSA-N 0 1 268.357 1.254 20 30 CDEDMN C=C(CC)C(=O)Nc1ccc(N2CCN(C)CC2)nc1 ZINC001263704034 943943668 /nfs/dbraw/zinc/94/36/68/943943668.db2.gz JEFMGNFMAHTWQU-UHFFFAOYSA-N 0 1 274.368 1.738 20 30 CDEDMN CC(C)NC(=O)N1CCO[C@H]2C[N@@H+](CCCCC#N)C[C@H]21 ZINC001277952350 944198068 /nfs/dbraw/zinc/19/80/68/944198068.db2.gz YSUDJXKMXOCAFL-KGLIPLIRSA-N 0 1 294.399 1.183 20 30 CDEDMN CC(C)NC(=O)N1CCO[C@H]2CN(CCCCC#N)C[C@H]21 ZINC001277952350 944198073 /nfs/dbraw/zinc/19/80/73/944198073.db2.gz YSUDJXKMXOCAFL-KGLIPLIRSA-N 0 1 294.399 1.183 20 30 CDEDMN C=CCOCCN1CC[C@@H](NC(=O)c2ccc(F)cc2)C1 ZINC001265267750 944298716 /nfs/dbraw/zinc/29/87/16/944298716.db2.gz BFHOYNLTCNDUTO-OAHLLOKOSA-N 0 1 292.354 1.832 20 30 CDEDMN Cc1nc(C#N)cnc1-c1ccc(N2CCN(C)CC2)nc1 ZINC001235966983 944333448 /nfs/dbraw/zinc/33/34/48/944333448.db2.gz FBWVSMQFSRWLIM-UHFFFAOYSA-N 0 1 294.362 1.471 20 30 CDEDMN CCCC(=O)NC[C@H](C)NCc1ccccc1C#N ZINC001265748557 944489150 /nfs/dbraw/zinc/48/91/50/944489150.db2.gz NIKLZBSWWVMUMT-LBPRGKRZSA-N 0 1 259.353 1.953 20 30 CDEDMN COC(=O)[C@H]1C[C@H](C)CN(Cc2ccnc(C#N)c2)C1 ZINC001237461892 944794847 /nfs/dbraw/zinc/79/48/47/944794847.db2.gz BRXYQYTUSFOAJL-AAEUAGOBSA-N 0 1 273.336 1.584 20 30 CDEDMN CC[C@H]1N(Cc2ccnc(C#N)c2)CCC[C@]12CCC(=O)N2 ZINC001237461849 944795776 /nfs/dbraw/zinc/79/57/76/944795776.db2.gz FEPJFCAETNQVJT-WBVHZDCISA-N 0 1 298.390 1.976 20 30 CDEDMN C=CCC[C@@H](C)N1[C@H]2COC[C@@H]1C[C@H](C(=O)OC)C2 ZINC001258733295 945395460 /nfs/dbraw/zinc/39/54/60/945395460.db2.gz YQAJEFACVQNDEO-SYQHCUMBSA-N 0 1 267.369 1.994 20 30 CDEDMN N#Cc1cccc(S(=O)(=O)Nc2ccc(O)cc2O)c1 ZINC001259117402 945487255 /nfs/dbraw/zinc/48/72/55/945487255.db2.gz MSGXQNJBYJCFTM-UHFFFAOYSA-N 0 1 290.300 1.770 20 30 CDEDMN CC(C)(C)n1ncc(C#N)c1NS(=O)(=O)C1CC1 ZINC001259269985 945521314 /nfs/dbraw/zinc/52/13/14/945521314.db2.gz KELJZVNBWREQSI-UHFFFAOYSA-N 0 1 268.342 1.414 20 30 CDEDMN COc1ccc(NS(=O)(=O)C2CC2)c(C#N)c1 ZINC001259275456 945528969 /nfs/dbraw/zinc/52/89/69/945528969.db2.gz VNKXXXNGFHOQIU-UHFFFAOYSA-N 0 1 252.295 1.471 20 30 CDEDMN Cc1cc(C[C@@H](C)NC(=O)Nc2ccnc(C#N)c2)n[nH]1 ZINC001476945259 971156325 /nfs/dbraw/zinc/15/63/25/971156325.db2.gz IFTBEKUXFVVGGQ-SECBINFHSA-N 0 1 284.323 1.738 20 30 CDEDMN CN(C)C(=O)[C@@]12C[C@@H]1CN(Cc1ccc(C#N)cc1F)C2 ZINC001278305971 945660113 /nfs/dbraw/zinc/66/01/13/945660113.db2.gz NUOPIEXPCJCABA-CZUORRHYSA-N 0 1 287.338 1.607 20 30 CDEDMN C=CCS(=O)(=O)Nc1ncccc1OC(F)(F)F ZINC001259922960 945706769 /nfs/dbraw/zinc/70/67/69/945706769.db2.gz LYGAZPSQBHUASN-UHFFFAOYSA-N 0 1 282.243 1.908 20 30 CDEDMN C#Cc1cc(=NS(=O)(=O)c2sccc2C)cc[nH]1 ZINC001260062005 945782399 /nfs/dbraw/zinc/78/23/99/945782399.db2.gz AVHWWIQSTHAYDN-UHFFFAOYSA-N 0 1 278.358 1.656 20 30 CDEDMN COc1nc(Cl)c(C=NNc2nccn2C)n1C ZINC001261236712 946010307 /nfs/dbraw/zinc/01/03/07/946010307.db2.gz UAJAPAFQCTZRLZ-UHFFFAOYSA-N 0 1 268.708 1.262 20 30 CDEDMN CCCCCCCCCN(C)C(=O)C(=O)N1CCNCC1 ZINC001261423664 946109990 /nfs/dbraw/zinc/10/99/90/946109990.db2.gz BCNOJFDJJCJQNJ-UHFFFAOYSA-N 0 1 297.443 1.627 20 30 CDEDMN C=C(C)C[C@@H]([NH2+]Cc1ccc(OCCOC)o1)C(=O)[O-] ZINC001262383763 946630432 /nfs/dbraw/zinc/63/04/32/946630432.db2.gz JIALVNAITOSTDB-GFCCVEGCSA-N 0 1 283.324 1.814 20 30 CDEDMN CN1CCN(c2nccc(-c3cccnc3C#N)n2)CC1 ZINC001242311799 946663759 /nfs/dbraw/zinc/66/37/59/946663759.db2.gz UMYDNCUUYVILLT-UHFFFAOYSA-N 0 1 280.335 1.162 20 30 CDEDMN CC#Cc1cncc(-c2cc(N3CCN(C)CC3)ncn2)c1 ZINC001242939223 946938330 /nfs/dbraw/zinc/93/83/30/946938330.db2.gz AXKAGUCJPHWNIK-UHFFFAOYSA-N 0 1 293.374 1.662 20 30 CDEDMN CN1CCN(c2cccc(-c3nccnc3C#N)c2)CC1 ZINC001243669429 947171969 /nfs/dbraw/zinc/17/19/69/947171969.db2.gz WZYWYYMYTXLROK-UHFFFAOYSA-N 0 1 279.347 1.767 20 30 CDEDMN N#Cc1ccc(N2CCN([C@@H]3CCCOC3)CC2)cc1 ZINC001254384595 947409469 /nfs/dbraw/zinc/40/94/69/947409469.db2.gz PPTXDRFZFBUOSM-MRXNPFEDSA-N 0 1 271.364 1.859 20 30 CDEDMN N#C[C@@H]1CC[C@@H](N2Cc3ccnn3CC[C@H]2CO)C1 ZINC001254676608 947589003 /nfs/dbraw/zinc/58/90/03/947589003.db2.gz MNCJHRJMGNIZTA-BZPMIXESSA-N 0 1 260.341 1.142 20 30 CDEDMN N#C[C@@H]1CC[C@@H](N2CCC[C@@H](NC(=O)c3ccccn3)C2)C1 ZINC001254677678 947593320 /nfs/dbraw/zinc/59/33/20/947593320.db2.gz VZFIVROMBLQERI-RBSFLKMASA-N 0 1 298.390 1.968 20 30 CDEDMN CCOC(=O)C1=C(O)CCN([C@@H](CC)CC#N)CC1 ZINC001255172714 947764678 /nfs/dbraw/zinc/76/46/78/947764678.db2.gz RNPRAZYQCFWWCH-RYUDHWBXSA-N 0 1 266.341 1.523 20 30 CDEDMN CCOC(=O)N1[C@@H]2CC[C@H]1C[C@@H](N1CC[C@@H](C#N)C1)C2 ZINC001255209713 947780720 /nfs/dbraw/zinc/78/07/20/947780720.db2.gz HCLXWKKGCUTNRI-IGQOVBAYSA-N 0 1 277.368 1.984 20 30 CDEDMN N#Cc1nc(-c2ccc3nncn3c2)cc2[nH]cnc21 ZINC001245658416 947800823 /nfs/dbraw/zinc/80/08/23/947800823.db2.gz VRTMKBNSWKPGRP-UHFFFAOYSA-N 0 1 261.248 1.539 20 30 CDEDMN C[C@H](Cc1ccc(C#N)cc1)NC1(C(F)(F)F)CNC1 ZINC001246251949 948057079 /nfs/dbraw/zinc/05/70/79/948057079.db2.gz GOZAWWXPXVUMPL-SNVBAGLBSA-N 0 1 283.297 1.983 20 30 CDEDMN C[C@@]1(C#N)CCN(C2CCN(C(=O)C(F)(F)F)CC2)C1 ZINC001255989968 948151150 /nfs/dbraw/zinc/15/11/50/948151150.db2.gz FWNVSQOFDFQOAR-LBPRGKRZSA-N 0 1 289.301 1.775 20 30 CDEDMN N#Cc1ncc(NS(=O)(=O)c2ccc(F)cc2F)cn1 ZINC001255998035 948153745 /nfs/dbraw/zinc/15/37/45/948153745.db2.gz JILFBSJBTWMFNJ-UHFFFAOYSA-N 0 1 296.258 1.427 20 30 CDEDMN CCc1cc(C#N)ccc1CN1CC(N2CCN(C)CC2)C1 ZINC001248752432 949125557 /nfs/dbraw/zinc/12/55/57/949125557.db2.gz LIDOHPQXNHIADE-UHFFFAOYSA-N 0 1 298.434 1.552 20 30 CDEDMN N#Cc1ccn2ncc(CN3CCC[C@H](CO)C3)c2c1 ZINC001249082236 949369382 /nfs/dbraw/zinc/36/93/82/949369382.db2.gz LUUVLWYRANTMPE-ZDUSSCGKSA-N 0 1 270.336 1.410 20 30 CDEDMN CCC[N@@H+](CC(=O)[O-])Cc1cccc(F)c1C#N ZINC001589669701 949923565 /nfs/dbraw/zinc/92/35/65/949923565.db2.gz UPLCDRCMZLOSGQ-UHFFFAOYSA-N 0 1 250.273 1.994 20 30 CDEDMN C#CC[N@H+](CCCCC1CCOCC1)CC(=O)[O-] ZINC000305897115 950587360 /nfs/dbraw/zinc/58/73/60/950587360.db2.gz OBXCCKFWDVPMHC-UHFFFAOYSA-N 0 1 253.342 1.603 20 30 CDEDMN C=CCOCc1[nH]nc2c1CN(C[C@H](O)CC)C2 ZINC001251768731 950799033 /nfs/dbraw/zinc/79/90/33/950799033.db2.gz GRJFGXXOBOETFZ-SNVBAGLBSA-N 0 1 251.330 1.199 20 30 CDEDMN C#CCOC[C@H](O)CNCc1nc2cc(Cl)ccc2[nH]1 ZINC001251880926 950907127 /nfs/dbraw/zinc/90/71/27/950907127.db2.gz KKBWAEPFQDHGBY-LLVKDONJSA-N 0 1 293.754 1.317 20 30 CDEDMN C=CCOC[C@@H](O)CN1CCN(c2cccc(O)c2)CC1 ZINC001252471403 951322544 /nfs/dbraw/zinc/32/25/44/951322544.db2.gz XFTOVACPIXJZKN-INIZCTEOSA-N 0 1 292.379 1.078 20 30 CDEDMN C=CCOC[C@@H](O)CNCc1ncccc1C(F)(F)F ZINC001252485552 951350886 /nfs/dbraw/zinc/35/08/86/951350886.db2.gz LVUNGFUCBLHVFA-JTQLQIEISA-N 0 1 290.285 1.754 20 30 CDEDMN C=C[C@](C)(O)C[N@@H+](CCC(=O)OC)Cc1ccco1 ZINC001252554080 951443452 /nfs/dbraw/zinc/44/34/52/951443452.db2.gz AXQORNPLKHLEGW-AWEZNQCLSA-N 0 1 267.325 1.582 20 30 CDEDMN C=C[C@@](C)(O)CN1CCc2nc(C3CC3)ncc2C1 ZINC001252559319 951455849 /nfs/dbraw/zinc/45/58/49/951455849.db2.gz VVWIPMOBGGHYMC-OAHLLOKOSA-N 0 1 259.353 1.649 20 30 CDEDMN C=C[C@](C)(O)CNCC(=O)c1ccc(F)cc1F ZINC001252573622 951467529 /nfs/dbraw/zinc/46/75/29/951467529.db2.gz HMNRMVQJQUFHEL-ZDUSSCGKSA-N 0 1 255.264 1.674 20 30 CDEDMN CC[C@H](CC#N)NC[C@@H](O)COc1ccc(OC)cc1 ZINC001252735990 951617898 /nfs/dbraw/zinc/61/78/98/951617898.db2.gz CNGNICHKAIKKFB-CHWSQXEVSA-N 0 1 278.352 1.717 20 30 CDEDMN COc1ccccc1OC[C@@H](O)CNCC1(C#N)CCC1 ZINC001252904213 951700509 /nfs/dbraw/zinc/70/05/09/951700509.db2.gz SKWPXDQGHRGHAP-ZDUSSCGKSA-N 0 1 290.363 1.718 20 30 CDEDMN C=C[C@@H](O)CNc1cnc2cccc(C(=O)OC)n12 ZINC001253574701 951961228 /nfs/dbraw/zinc/96/12/28/951961228.db2.gz ZZSFPDOASWDJRH-SECBINFHSA-N 0 1 261.281 1.080 20 30 CDEDMN C=C[C@H](O)CNc1c(F)cccc1N1CCN(C)CC1 ZINC001253596322 951986279 /nfs/dbraw/zinc/98/62/79/951986279.db2.gz ONMRCCXCYSRNDW-LBPRGKRZSA-N 0 1 279.359 1.536 20 30 CDEDMN CCCS(=O)(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC001253626092 952002640 /nfs/dbraw/zinc/00/26/40/952002640.db2.gz ATRVUAOLWSWIIC-UHFFFAOYSA-N 0 1 290.348 1.896 20 30 CDEDMN C#CCN(C(=O)c1ccn(-c2ccncc2)n1)C1CC1 ZINC001324672407 953510785 /nfs/dbraw/zinc/51/07/85/953510785.db2.gz MWGBISBCFOQCHT-UHFFFAOYSA-N 0 1 266.304 1.505 20 30 CDEDMN C=C(C)CONC(=O)N1CCN(C(C)(C)C)CC1 ZINC001326505580 954412622 /nfs/dbraw/zinc/41/26/22/954412622.db2.gz JJSRPRCWVRXVJS-UHFFFAOYSA-N 0 1 255.362 1.620 20 30 CDEDMN C=C(Cl)CN[C@H](C)CNC(=O)c1cnn(CC(C)C)c1 ZINC001491623840 955322094 /nfs/dbraw/zinc/32/20/94/955322094.db2.gz IUGCCESROQLKSI-GFCCVEGCSA-N 0 1 298.818 2.000 20 30 CDEDMN C#CCCN(CCOC)C(=O)c1ccn(-c2ccncc2)n1 ZINC001328594764 955364324 /nfs/dbraw/zinc/36/43/24/955364324.db2.gz UYJYKEOXHCTRDI-UHFFFAOYSA-N 0 1 298.346 1.379 20 30 CDEDMN C[C@H](CCC#N)C[NH2+]C1CCN(CC(=O)[O-])CC1 ZINC001589013241 955399753 /nfs/dbraw/zinc/39/97/53/955399753.db2.gz RQGGTJZKSCKYTO-LLVKDONJSA-N 0 1 253.346 1.065 20 30 CDEDMN C[C@H]1CCN(CC(=O)Nc2nc3cc(C#N)ccc3[nH]2)C1 ZINC001363361234 972111732 /nfs/dbraw/zinc/11/17/32/972111732.db2.gz UYTOERNDHFVMHA-JTQLQIEISA-N 0 1 283.335 1.715 20 30 CDEDMN N#CC1(C(=O)NC[C@H](O)c2cnc[nH]2)CCCCC1 ZINC001303581287 956104356 /nfs/dbraw/zinc/10/43/56/956104356.db2.gz SEMGYAJUIOHOAJ-NSHDSACASA-N 0 1 262.313 1.033 20 30 CDEDMN N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)CC1 ZINC001594604081 956160372 /nfs/dbraw/zinc/16/03/72/956160372.db2.gz NYWZMKGRMFLUAN-RYUDHWBXSA-N 0 1 266.341 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291.182 1.534 20 30 CDEDMN C=C(Cl)CN[C@H](C)CNC(=O)c1n[nH]c2c1CCCC2 ZINC001366305329 956724479 /nfs/dbraw/zinc/72/44/79/956724479.db2.gz PWFCLAFLNIPSAZ-SNVBAGLBSA-N 0 1 296.802 1.749 20 30 CDEDMN C=CCCC[C@@H](C)NC(=O)Nc1nn[nH]c1C(=O)NC ZINC001311172180 956732792 /nfs/dbraw/zinc/73/27/92/956732792.db2.gz LUFULUXNGYHRAT-MRVPVSSYSA-N 0 1 280.332 1.031 20 30 CDEDMN CC(C)C(CNC(=O)NCC#CCN(C)C)C(C)C ZINC001312529660 956804093 /nfs/dbraw/zinc/80/40/93/956804093.db2.gz MUCOFVKRGJEAGW-UHFFFAOYSA-N 0 1 267.417 1.779 20 30 CDEDMN C#CCNCC(=O)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC001341539593 956808191 /nfs/dbraw/zinc/80/81/91/956808191.db2.gz QSABIOYRLBUQLY-UHFFFAOYSA-N 0 1 292.329 1.894 20 30 CDEDMN C=C(Cl)CNC1(CNC(=O)[C@@H]2CCCO2)CCC1 ZINC001424148046 957137485 /nfs/dbraw/zinc/13/74/85/957137485.db2.gz ANHXUXDXRBIJOS-NSHDSACASA-N 0 1 272.776 1.546 20 30 CDEDMN C[C@@H](C[N@@H+](C)CCOc1ccc(C#N)cc1)C(=O)[O-] ZINC000042705995 957425821 /nfs/dbraw/zinc/42/58/21/957425821.db2.gz WRBOQZJDWRCHDI-NSHDSACASA-N 0 1 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CDEDMN C=CCOCC(=O)N(C)Cc1cc(C(C)(C)C)[nH]n1 ZINC000347505283 526685630 /nfs/dbraw/zinc/68/56/30/526685630.db2.gz XVYOJJBJPBVJLS-UHFFFAOYSA-N 0 1 265.357 1.868 20 30 CDEDMN C=CCOCCCN1CCN(Cc2ccccn2)CC1 ZINC000347975501 526755374 /nfs/dbraw/zinc/75/53/74/526755374.db2.gz WFSGELXDMBETAC-UHFFFAOYSA-N 0 1 275.396 1.792 20 30 CDEDMN C=CCOc1cccc(CN[C@H]2CCCS(=O)(=O)C2)c1 ZINC000344526118 526904896 /nfs/dbraw/zinc/90/48/96/526904896.db2.gz LDKLQFIRWQDGJL-AWEZNQCLSA-N 0 1 295.404 1.918 20 30 CDEDMN C#CCOc1ccc(CN[C@H](C)CS(=O)(=O)CC)cc1 ZINC000113349757 527106575 /nfs/dbraw/zinc/10/65/75/527106575.db2.gz VASBRYOVTILJMN-CYBMUJFWSA-N 0 1 295.404 1.611 20 30 CDEDMN CC1(C)C[C@@H]1C[NH+]=C([O-])N[C@H]1CCc2c[nH]nc2C1 ZINC000329822634 527706992 /nfs/dbraw/zinc/70/69/92/527706992.db2.gz HGQBFVIOQYVCNR-MNOVXSKESA-N 0 1 262.357 1.817 20 30 CDEDMN CC(C)C(=O)N1CCCC[C@H]1C(=O)NCCN1CCC1 ZINC000328856282 538442230 /nfs/dbraw/zinc/44/22/30/538442230.db2.gz XUZLKAVQVNOIRI-ZDUSSCGKSA-N 0 1 281.400 1.686 20 30 CDEDMN Cc1nnc2n1C[C@H](C[NH+]=C([O-])N1CCCC[C@H]1C)CC2 ZINC000329623487 538597294 /nfs/dbraw/zinc/59/72/94/538597294.db2.gz GBLRSKWACLKYML-YPMHNXCESA-N 0 1 291.399 1.937 20 30 CDEDMN CCN(CC)c1ccc(C=NN[C@H](C)CO)cc1F ZINC000749815848 574548484 /nfs/dbraw/zinc/54/84/84/574548484.db2.gz KLXGKIFRRLLGGT-LLVKDONJSA-N 0 1 267.348 1.976 20 30 CDEDMN N#Cc1ccccc1C=CC(=O)OCCc1c[nH]nn1 ZINC000750719126 574605803 /nfs/dbraw/zinc/60/58/03/574605803.db2.gz AAEDWVYRQCIHKU-WAYWQWQTSA-N 0 1 268.276 1.475 20 30 CDEDMN N#Cc1ccccc1C=CC(=O)OCCc1cnn[nH]1 ZINC000750719126 574605805 /nfs/dbraw/zinc/60/58/05/574605805.db2.gz AAEDWVYRQCIHKU-WAYWQWQTSA-N 0 1 268.276 1.475 20 30 CDEDMN C=CCNC(=O)COC(=O)c1[nH]c(-c2ccccc2)nc1C ZINC000728725459 574643529 /nfs/dbraw/zinc/64/35/29/574643529.db2.gz SCTAQWNJELXJMV-UHFFFAOYSA-N 0 1 299.330 1.844 20 30 CDEDMN N#CC(C(=O)C[C@H]1CCOC1)C(=O)NC1CCCC1 ZINC000740536856 574644197 /nfs/dbraw/zinc/64/41/97/574644197.db2.gz XTYYADLDVXGDRU-ZYHUDNBSSA-N 0 1 264.325 1.181 20 30 CDEDMN CCCCCCN(C)CC(=O)Nc1cnn(CC#N)c1 ZINC000735655917 575495934 /nfs/dbraw/zinc/49/59/34/575495934.db2.gz KRMGTEFYJSDGNA-UHFFFAOYSA-N 0 1 277.372 1.857 20 30 CDEDMN CCn1cc(CN=Nc2ccccc2S(C)(=O)=O)cn1 ZINC000732532006 575091193 /nfs/dbraw/zinc/09/11/93/575091193.db2.gz CJKNJALECYTDSE-UHFFFAOYSA-N 0 1 292.364 1.753 20 30 CDEDMN C#CCNC(=O)CCNCc1ccc(Br)cn1 ZINC000733798504 575139563 /nfs/dbraw/zinc/13/95/63/575139563.db2.gz UCUNMHQZEVBJGB-UHFFFAOYSA-N 0 1 296.168 1.073 20 30 CDEDMN N#Cc1ccc(O)c(NC(=O)C2(C(=O)NC3CC3)CCC2)c1 ZINC000759720351 576422662 /nfs/dbraw/zinc/42/26/62/576422662.db2.gz AKIUDMLOBISDFK-UHFFFAOYSA-N 0 1 299.330 1.651 20 30 CDEDMN C[C@@H]1CC(=O)NCCN1Cc1ccc(OCC#N)cc1 ZINC000761055435 576538961 /nfs/dbraw/zinc/53/89/61/576538961.db2.gz JLXCEDZSYWESMB-GFCCVEGCSA-N 0 1 273.336 1.299 20 30 CDEDMN C#CCNC(=O)CN[C@@H](C)c1ccccc1OC(C)C ZINC000774978169 575258130 /nfs/dbraw/zinc/25/81/30/575258130.db2.gz HBQPBCJEUBSXFF-ZDUSSCGKSA-N 0 1 274.364 1.874 20 30 CDEDMN C=C(C)C[NH+]1CCC(Nc2cccc(-c3nnn[n-]3)n2)CC1 ZINC000735399125 575464112 /nfs/dbraw/zinc/46/41/12/575464112.db2.gz PLPHOWRAYSYZCH-UHFFFAOYSA-N 0 1 299.382 1.714 20 30 CDEDMN C=C(C)C[NH+]1CCC(Nc2cccc(-c3nn[n-]n3)n2)CC1 ZINC000735399125 575464115 /nfs/dbraw/zinc/46/41/15/575464115.db2.gz PLPHOWRAYSYZCH-UHFFFAOYSA-N 0 1 299.382 1.714 20 30 CDEDMN C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H](CC(C)C)NC(=O)[O-] ZINC000736079033 575555459 /nfs/dbraw/zinc/55/54/59/575555459.db2.gz GDNPIWGPRXXLIB-OLZOCXBDSA-N 0 1 296.367 1.310 20 30 CDEDMN C=CCCC[N@H+](C)[C@H](C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000736102508 575563208 /nfs/dbraw/zinc/56/32/08/575563208.db2.gz LXQHPZQDAHWKEO-GFCCVEGCSA-N 0 1 282.384 1.596 20 30 CDEDMN CC(C)NC(=O)C(C#N)C(=O)COC1(C)CCC1 ZINC000772971351 575770125 /nfs/dbraw/zinc/77/01/25/575770125.db2.gz MACNYRHIFFSCHE-SNVBAGLBSA-N 0 1 252.314 1.179 20 30 CDEDMN CC(=NN1CC[NH+](C)CC1)c1cccc(C(=O)[O-])c1 ZINC000764646521 575930073 /nfs/dbraw/zinc/93/00/73/575930073.db2.gz ABEFFMBMJSUAPF-UHFFFAOYSA-N 0 1 261.325 1.356 20 30 CDEDMN N#CC(C(=O)NC1CCCCC1)C(=O)[C@H]1C[C@]12CCOC2 ZINC000764758882 575944876 /nfs/dbraw/zinc/94/48/76/575944876.db2.gz GRJNZEKLIJSJQD-ZENOOKHLSA-N 0 1 290.363 1.571 20 30 CDEDMN Cn1cc(C[N@@H+](C)[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cn1 ZINC000737497340 575975802 /nfs/dbraw/zinc/97/58/02/575975802.db2.gz ZZBXGKASDKJLJZ-CQSZACIVSA-N 0 1 284.319 1.549 20 30 CDEDMN C[C@H]1CC(=NC(=O)c2ncc(Br)s2)NO1 ZINC000765476683 576027809 /nfs/dbraw/zinc/02/78/09/576027809.db2.gz PKYWYQNZJNPNEQ-BYPYZUCNSA-N 0 1 290.142 1.758 20 30 CDEDMN C#CCCCCNC(=O)N1C[C@H](C)N(CC)C[C@H]1C ZINC000765737837 576052875 /nfs/dbraw/zinc/05/28/75/576052875.db2.gz IGNOYQRMCCTHCR-UONOGXRCSA-N 0 1 265.401 1.914 20 30 CDEDMN C#Cc1ccc(C(=O)N[C@@H]2CCCc3cn[nH]c32)nc1 ZINC000766691317 576123058 /nfs/dbraw/zinc/12/30/58/576123058.db2.gz LIKWVYSTCJRNQX-GFCCVEGCSA-N 0 1 266.304 1.593 20 30 CDEDMN C[C@@H]1CC(=NC(=O)c2coc(C3CCOCC3)n2)NO1 ZINC000768132567 576259744 /nfs/dbraw/zinc/25/97/44/576259744.db2.gz PWAKGXMDOPWIHJ-MRVPVSSYSA-N 0 1 279.296 1.421 20 30 CDEDMN C#CCSCCNC(=O)N1CCN(C(C)C)CC1 ZINC000740490523 576478542 /nfs/dbraw/zinc/47/85/42/576478542.db2.gz FAVZFEOFOPXIEL-UHFFFAOYSA-N 0 1 269.414 1.088 20 30 CDEDMN N#C[C@@H](C(=O)C[C@@H]1CSCCS1)c1ccncn1 ZINC000760355680 576479758 /nfs/dbraw/zinc/47/97/58/576479758.db2.gz FDWNYDOWWPKPRV-NXEZZACHSA-N 0 1 279.390 1.892 20 30 CDEDMN C#CCCCC(=O)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000760524043 576490929 /nfs/dbraw/zinc/49/09/29/576490929.db2.gz DFBJZUMDDRAVOO-ZDUSSCGKSA-N 0 1 266.385 1.094 20 30 CDEDMN N#CC(C(=O)[C@@H]1CCSC1)c1nnc2n1CCCCC2 ZINC000762068727 576617637 /nfs/dbraw/zinc/61/76/37/576617637.db2.gz WLMILGNMQWGWRJ-MNOVXSKESA-N 0 1 290.392 1.934 20 30 CDEDMN Cc1ncsc1C=NNc1ncnc2nc[nH]c21 ZINC000743439126 576639904 /nfs/dbraw/zinc/63/99/04/576639904.db2.gz SAASSYIXOCEYFT-UHFFFAOYSA-N 0 1 259.298 1.564 20 30 CDEDMN C#CCNCC(=O)NC[C@H]1CCCc2ccccc21 ZINC000746513996 576781338 /nfs/dbraw/zinc/78/13/38/576781338.db2.gz QUBJCQVWWRWQAD-CQSZACIVSA-N 0 1 256.349 1.446 20 30 CDEDMN COc1ccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)cc1 ZINC000753935385 576866924 /nfs/dbraw/zinc/86/69/24/576866924.db2.gz ODSQQGJWDGVCPR-KBPBESRZSA-N 0 1 272.352 1.889 20 30 CDEDMN Cc1n[nH]c(C)c1C=NNC1=N[C@H]2CCCC[C@@H]2N1 ZINC000753935704 576867026 /nfs/dbraw/zinc/86/70/26/576867026.db2.gz PILVSOGVMJRYRG-RYUDHWBXSA-N 0 1 260.345 1.220 20 30 CDEDMN Cc1cnn(CC(=O)Nc2cc(C#N)ccc2O)c1 ZINC000748411160 576911506 /nfs/dbraw/zinc/91/15/06/576911506.db2.gz YDFTXXLSKFGKHO-UHFFFAOYSA-N 0 1 256.265 1.408 20 30 CDEDMN Cn1ncc2c1nc[nH+]c2[N-]N=Cc1cccc(F)c1O ZINC000755644086 576953583 /nfs/dbraw/zinc/95/35/83/576953583.db2.gz GAXLLHKZWYZMFS-UHFFFAOYSA-N 0 1 286.270 1.654 20 30 CDEDMN C=C(C)[C@H](CC(=O)NO[C@H]1CCCCO1)OCC ZINC000755825578 576963593 /nfs/dbraw/zinc/96/35/93/576963593.db2.gz YEKLWJHRHYYAIF-AAEUAGOBSA-N 0 1 257.330 1.932 20 30 CDEDMN O=S1(=O)C=C(NNc2nc(C(F)(F)F)cs2)CC1 ZINC000755905707 576966898 /nfs/dbraw/zinc/96/68/98/576966898.db2.gz SXFHMHJTXUOBNJ-UHFFFAOYSA-N 0 1 299.299 1.748 20 30 CDEDMN Oc1c(F)cc(C=NNC2CCOCC2)cc1F ZINC000757588913 577043849 /nfs/dbraw/zinc/04/38/49/577043849.db2.gz BREAPKZXPHCCKJ-UHFFFAOYSA-N 0 1 256.252 1.773 20 30 CDEDMN CC(C#N)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000757604749 577045769 /nfs/dbraw/zinc/04/57/69/577045769.db2.gz NOBQGDXJNVPJKD-GMTAPVOTSA-N 0 1 292.339 1.021 20 30 CDEDMN C[C@H]1CN(C)CC1N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000752156525 577091154 /nfs/dbraw/zinc/09/11/54/577091154.db2.gz CFDAJHCDUUUXLF-QMMMGPOBSA-N 0 1 293.283 1.852 20 30 CDEDMN C[C@H]1CN(C)CC1N=Nc1nc2ccccc2c(=O)n1C ZINC000752162774 577091205 /nfs/dbraw/zinc/09/12/05/577091205.db2.gz HIIMHPLVNSTVCY-JTQLQIEISA-N 0 1 285.351 1.283 20 30 CDEDMN CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000817853349 597087801 /nfs/dbraw/zinc/08/78/01/597087801.db2.gz LZLHKDFMWURCJY-IUODEOHRSA-N 0 1 295.383 1.228 20 30 CDEDMN N#Cc1ccc(C(=O)OC[C@@H]2CCC[N@@H+]2CC(=O)[O-])cc1 ZINC000819095973 597453963 /nfs/dbraw/zinc/45/39/63/597453963.db2.gz PPDUSMKNHQMBDO-ZDUSSCGKSA-N 0 1 288.303 1.264 20 30 CDEDMN N#Cc1ccc(OCC[N@@H+]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000062134627 597525652 /nfs/dbraw/zinc/52/56/52/597525652.db2.gz SADJFXOYECIREL-GFCCVEGCSA-N 0 1 260.293 1.344 20 30 CDEDMN N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000019775074 600139847 /nfs/dbraw/zinc/13/98/47/600139847.db2.gz BBMDJCVXAKIJKW-LBPRGKRZSA-N 0 1 287.319 1.293 20 30 CDEDMN N#Cc1ccc(OCC[N@@H+]2CC[C@@](F)(C(=O)[O-])C2)cc1 ZINC000833071683 601439220 /nfs/dbraw/zinc/43/92/20/601439220.db2.gz MVUQZWIOUBWOKN-AWEZNQCLSA-N 0 1 278.283 1.436 20 30 CDEDMN C[C@@H]1C[N@@H+](Cc2cn3ccccc3c2C#N)C[C@@H]1C(=O)[O-] ZINC000111255116 601539014 /nfs/dbraw/zinc/53/90/14/601539014.db2.gz GXABSWZSZULXMK-RISCZKNCSA-N 0 1 283.331 1.963 20 30 CDEDMN C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833364066 604611725 /nfs/dbraw/zinc/61/17/25/604611725.db2.gz DJWYYGALSRPXLW-BFHYXJOUSA-N 0 1 293.363 1.518 20 30 CDEDMN C#CC[N@H+]1CCC[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])C1 ZINC001602720772 1175373682 /nfs/dbraw/zinc/37/36/82/1175373682.db2.gz GVUVLUFWZFOXDL-GFCCVEGCSA-N 0 1 280.368 1.091 20 30 CDEDMN C#CC[N@@H+]1CCC[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])C1 ZINC001602720772 1175373685 /nfs/dbraw/zinc/37/36/85/1175373685.db2.gz GVUVLUFWZFOXDL-GFCCVEGCSA-N 0 1 280.368 1.091 20 30 CDEDMN C#CC[N@H+]1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1 ZINC001602720150 1175374436 /nfs/dbraw/zinc/37/44/36/1175374436.db2.gz KWVGHLFVMAXRIA-NWDGAFQWSA-N 0 1 265.259 1.698 20 30 CDEDMN C[C@H](O)[C@H]1CCC[N@H+]([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000833529415 604925663 /nfs/dbraw/zinc/92/56/63/604925663.db2.gz RKJXRBKWYSIFHM-CQDKDKBSSA-N 0 1 288.347 1.777 20 30 CDEDMN C[C@H](O)[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000833529418 604925812 /nfs/dbraw/zinc/92/58/12/604925812.db2.gz RKJXRBKWYSIFHM-TUKIKUTGSA-N 0 1 288.347 1.777 20 30 CDEDMN C=CCC(CC=C)C(=O)N1CC[N@H+](CCC(=O)[O-])C[C@H]1C ZINC000833369603 605112731 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ZINC001230849587 942712043 /nfs/dbraw/zinc/71/20/43/942712043.db2.gz RKXHWYBSUHPQLD-RYUDHWBXSA-N 0 1 256.415 1.847 20 30 CDEDMN C=C(C)CN1CC[C@H]1CN(C)C(=O)CCC(=O)NCC ZINC001231197394 942815109 /nfs/dbraw/zinc/81/51/09/942815109.db2.gz BLLDZFDDKJSSIT-ZDUSSCGKSA-N 0 1 281.400 1.012 20 30 CDEDMN C=C1O[C@H](CC)C(=O)C1Oc1nc(C)cc(O)c1[N+](=O)[O-] ZINC001231264589 942838634 /nfs/dbraw/zinc/83/86/34/942838634.db2.gz SEOCVKJUZGIPTC-SECBINFHSA-N 0 1 294.263 1.992 20 30 CDEDMN CN(C)CC#CCNC(=O)CCNc1ccccc1 ZINC001332705729 942900982 /nfs/dbraw/zinc/90/09/82/942900982.db2.gz AWMHCIMGFMJIGR-UHFFFAOYSA-N 0 1 259.353 1.170 20 30 CDEDMN C=C(Cl)CN[C@@H](C)CN(C)C(=O)C(C)(C)F ZINC001283555422 942923294 /nfs/dbraw/zinc/92/32/94/942923294.db2.gz SCXLYNQGDMCABK-VIFPVBQESA-N 0 1 250.745 1.924 20 30 CDEDMN N#C[C@@H]1CN(Cc2cc3ncccc3[nH]2)CCC1=O ZINC001232065290 943120243 /nfs/dbraw/zinc/12/02/43/943120243.db2.gz REOWRRVVLFUFDQ-SNVBAGLBSA-N 0 1 254.293 1.477 20 30 CDEDMN CC[N@H+]1CCCN(Cc2cc(C#N)ccc2[O-])CC1 ZINC001232673191 943354705 /nfs/dbraw/zinc/35/47/05/943354705.db2.gz BXZJQIPLZMUURC-UHFFFAOYSA-N 0 1 259.353 1.791 20 30 CDEDMN CCN1CCC[N@H+](Cc2cc(C#N)ccc2[O-])CC1 ZINC001232673191 943354709 /nfs/dbraw/zinc/35/47/09/943354709.db2.gz BXZJQIPLZMUURC-UHFFFAOYSA-N 0 1 259.353 1.791 20 30 CDEDMN CCN1CCC[N@@H+](Cc2cc(C#N)ccc2[O-])CC1 ZINC001232673191 943354713 /nfs/dbraw/zinc/35/47/13/943354713.db2.gz BXZJQIPLZMUURC-UHFFFAOYSA-N 0 1 259.353 1.791 20 30 CDEDMN N#Cc1ccc([O-])c(C[N@@H+]2C[C@H](F)C[C@H]2CO)c1 ZINC001232673790 943355394 /nfs/dbraw/zinc/35/53/94/943355394.db2.gz NKUZBBALFZKCCX-NEPJUHHUSA-N 0 1 250.273 1.169 20 30 CDEDMN Cn1ncc2c1CN(Cc1cc(C#N)ccc1O)C2 ZINC001232679390 943362765 /nfs/dbraw/zinc/36/27/65/943362765.db2.gz IQZQMWSVVBGYCK-UHFFFAOYSA-N 0 1 254.293 1.513 20 30 CDEDMN CC[C@@H]1N(Cc2cccc(C#N)n2)CCC[C@]12CCC(=O)N2 ZINC001232924220 943435137 /nfs/dbraw/zinc/43/51/37/943435137.db2.gz VGVWHJMUBSOEON-RDJZCZTQSA-N 0 1 298.390 1.976 20 30 CDEDMN COCCCCN1CCN(Cc2cccc(C#N)n2)CC1 ZINC001232927052 943437650 /nfs/dbraw/zinc/43/76/50/943437650.db2.gz OICNIZQMHZLETE-UHFFFAOYSA-N 0 1 288.395 1.497 20 30 CDEDMN Cc1ccc(CN2CCN(CCCO)CC2)c(C#N)c1 ZINC001232964104 943448444 /nfs/dbraw/zinc/44/84/44/943448444.db2.gz PZNKGELLOGTWBN-UHFFFAOYSA-N 0 1 273.380 1.367 20 30 CDEDMN N#Cc1cc[nH]c1CN1CC(N2CCC(F)CC2)C1 ZINC001233047442 943475051 /nfs/dbraw/zinc/47/50/51/943475051.db2.gz ZGZHBZLRZCIZAZ-UHFFFAOYSA-N 0 1 262.332 1.504 20 30 CDEDMN N#Cc1ccc(C[N@H+]2CCC[C@]3(CCCC(=O)N3)C2)c([O-])c1 ZINC001233384631 943571538 /nfs/dbraw/zinc/57/15/38/943571538.db2.gz BPEGQIQLOCBYNS-QGZVFWFLSA-N 0 1 299.374 1.899 20 30 CDEDMN N#Cc1ccc(C[N@H+]2CCC[C@]3(CCNC3=O)C2)c([O-])c1 ZINC001233383982 943571605 /nfs/dbraw/zinc/57/16/05/943571605.db2.gz CLNAEOMKDAZLBI-INIZCTEOSA-N 0 1 285.347 1.366 20 30 CDEDMN C=CCN1CC[C@H](N(C)CCCNC(=O)C=C(C)C)C1=O ZINC001233544882 943613629 /nfs/dbraw/zinc/61/36/29/943613629.db2.gz PASWZILWORMSEQ-AWEZNQCLSA-N 0 1 293.411 1.178 20 30 CDEDMN C=CCNC(=O)[C@H](C)N(C)CCCNC(=O)C=C(C)C ZINC001233552732 943616177 /nfs/dbraw/zinc/61/61/77/943616177.db2.gz KWVDRMKUKRFYKA-ZDUSSCGKSA-N 0 1 281.400 1.081 20 30 CDEDMN N#Cc1ccc2nc(=O)[nH]c(OC[C@@H]3CCCO3)c2c1 ZINC001234531222 943882278 /nfs/dbraw/zinc/88/22/78/943882278.db2.gz VRVHGFGTZZIEEH-JTQLQIEISA-N 0 1 271.276 1.765 20 30 CDEDMN CCNc1ccc(C#N)cc1NC(=O)CCCc1nn[nH]n1 ZINC001362253801 971077589 /nfs/dbraw/zinc/07/75/89/971077589.db2.gz UZQXNKKYKLAOTA-UHFFFAOYSA-N 0 1 299.338 1.465 20 30 CDEDMN C=C(Cl)CN[C@@H](C)CNC(=O)c1ccncc1C ZINC001265773356 944503774 /nfs/dbraw/zinc/50/37/74/944503774.db2.gz UFOCVTVTOPLUTR-NSHDSACASA-N 0 1 267.760 1.850 20 30 CDEDMN C=CCC[C@@H](C)NC1(C(=O)OC)CCN(C)CC1 ZINC001258721633 945393755 /nfs/dbraw/zinc/39/37/55/945393755.db2.gz BJDJVAIGTCXNCW-GFCCVEGCSA-N 0 1 254.374 1.568 20 30 CDEDMN Cn1ncc(NS(=O)(=O)Cc2ccc(F)cc2)c1C#N ZINC001259247760 945511455 /nfs/dbraw/zinc/51/14/55/945511455.db2.gz GESMJRGNLWDORP-UHFFFAOYSA-N 0 1 294.311 1.373 20 30 CDEDMN N#Cc1cnc(NS(=O)(=O)c2ccccn2)c(Cl)c1 ZINC001259282342 945541565 /nfs/dbraw/zinc/54/15/65/945541565.db2.gz NIIQXBLZXUORTO-UHFFFAOYSA-N 0 1 294.723 1.802 20 30 CDEDMN N#Cc1ccnc(-c2ccc(C(=O)N3CCNCC3)cc2)n1 ZINC001240108339 945677922 /nfs/dbraw/zinc/67/79/22/945677922.db2.gz TVAYULFWSCPANE-UHFFFAOYSA-N 0 1 293.330 1.061 20 30 CDEDMN C#CC[N@H+](CC(=O)[O-])C[C@@H]1CCCC12CCOCC2 ZINC001602695670 971311400 /nfs/dbraw/zinc/31/14/00/971311400.db2.gz OTYHTUDRCDLOMJ-ZDUSSCGKSA-N 0 1 265.353 1.603 20 30 CDEDMN COc1ccccc1C1(NCC(=O)NCC#N)CCC1 ZINC001254146044 947302985 /nfs/dbraw/zinc/30/29/85/947302985.db2.gz XRCNCPJXXHPWJH-UHFFFAOYSA-N 0 1 273.336 1.304 20 30 CDEDMN CN1CCN(c2nccc(-c3ccc(C#N)cc3N)n2)CC1 ZINC001244083951 947306049 /nfs/dbraw/zinc/30/60/49/947306049.db2.gz DQYORWUOCGODCR-UHFFFAOYSA-N 0 1 294.362 1.349 20 30 CDEDMN C=CCN1CC[C@@H]([NH2+][C@H](C(=O)[O-])c2ccccc2)C1=O ZINC001602723182 971394584 /nfs/dbraw/zinc/39/45/84/971394584.db2.gz SBTXXNFKFPPUJE-OLZOCXBDSA-N 0 1 274.320 1.189 20 30 CDEDMN CCOc1ccc([C@@H](CO)N[C@H]2CC[C@H](C#N)C2)cn1 ZINC001254635423 947564476 /nfs/dbraw/zinc/56/44/76/947564476.db2.gz PKJHQBJCEIIQSN-FPMFFAJLSA-N 0 1 275.352 1.796 20 30 CDEDMN CS(=O)(=O)N1C[C@H]2CCCN([C@H]3CC[C@@H](C#N)C3)[C@H]2C1 ZINC001254663937 947581502 /nfs/dbraw/zinc/58/15/02/947581502.db2.gz FBJACGPYCUUBLR-MQYQWHSLSA-N 0 1 297.424 1.034 20 30 CDEDMN N#C[C@@H]1CC[C@H](N2CCN(CCc3ccccn3)CC2)C1 ZINC001254668543 947585157 /nfs/dbraw/zinc/58/51/57/947585157.db2.gz IMYJBKYOXMXQBU-WBVHZDCISA-N 0 1 284.407 1.934 20 30 CDEDMN N#Cc1ncc(C2=CC[C@@H](N3CCOCC3)CC2)nc1C#N ZINC001245420283 947664942 /nfs/dbraw/zinc/66/49/42/947664942.db2.gz SSWOKYUKQXUGOJ-CYBMUJFWSA-N 0 1 295.346 1.488 20 30 CDEDMN CC[C@@H](CC#N)N1CCn2cc(CN3CCCC3)nc2C1 ZINC001255168870 947761079 /nfs/dbraw/zinc/76/10/79/947761079.db2.gz XOJGBQITWMFGAG-HNNXBMFYSA-N 0 1 287.411 1.987 20 30 CDEDMN CC[C@H](CC#N)N1CCn2cc(CN3CCCC3)nc2C1 ZINC001255168871 947761476 /nfs/dbraw/zinc/76/14/76/947761476.db2.gz XOJGBQITWMFGAG-OAHLLOKOSA-N 0 1 287.411 1.987 20 30 CDEDMN CCOC(=O)C1CCC(NC2(C#N)CCN(C)CC2)CC1 ZINC001255257227 947791025 /nfs/dbraw/zinc/79/10/25/947791025.db2.gz XRNBVNSOUYXWPE-UHFFFAOYSA-N 0 1 293.411 1.686 20 30 CDEDMN C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001255863285 948118002 /nfs/dbraw/zinc/11/80/02/948118002.db2.gz IBZZLVIJFSNQMD-KWBADKCTSA-N 0 1 266.316 1.582 20 30 CDEDMN CCOC(=O)N1CCC(N(CC)CCC#N)CC1 ZINC001256243581 948254714 /nfs/dbraw/zinc/25/47/14/948254714.db2.gz TYTKZFVMEPPCDF-UHFFFAOYSA-N 0 1 253.346 1.843 20 30 CDEDMN N#CC1CCC(N2CC[C@](O)(CF)[C@@H](F)C2)CC1 ZINC001256964700 948465191 /nfs/dbraw/zinc/46/51/91/948465191.db2.gz ARLILUHQRSTYLD-TYUFSLCMSA-N 0 1 258.312 1.813 20 30 CDEDMN C=CCOC(=O)N1CCN(C2CCC3(COC3)CC2)CC1 ZINC001257912835 948665290 /nfs/dbraw/zinc/66/52/90/948665290.db2.gz SNQZUZKCKLLQSU-UHFFFAOYSA-N 0 1 294.395 1.886 20 30 CDEDMN C=CCCNC(=S)N1CCN(C)CC12CCCC2 ZINC001247636538 948694789 /nfs/dbraw/zinc/69/47/89/948694789.db2.gz TYMFMKSWZDARPI-UHFFFAOYSA-N 0 1 267.442 1.997 20 30 CDEDMN C=CCCNC(=S)N[C@H]1CCN(Cc2ccncc2)C1 ZINC001247680245 948703475 /nfs/dbraw/zinc/70/34/75/948703475.db2.gz UBJHHUYMBHBSRI-AWEZNQCLSA-N 0 1 290.436 1.696 20 30 CDEDMN C[N@@H+](CCCC(=O)[O-])CC(=O)Nc1sccc1C#N ZINC000042717386 948884913 /nfs/dbraw/zinc/88/49/13/948884913.db2.gz QIGCLBZQSGDCGC-UHFFFAOYSA-N 0 1 281.337 1.355 20 30 CDEDMN C[C@H](C#N)Oc1ccccc1NC(=O)CCc1c[nH]nn1 ZINC001362680542 971523895 /nfs/dbraw/zinc/52/38/95/971523895.db2.gz GKEWGIDXHZGSNC-SNVBAGLBSA-N 0 1 285.307 1.667 20 30 CDEDMN C[C@H](C#N)Oc1ccccc1NC(=O)CCc1cnn[nH]1 ZINC001362680542 971523905 /nfs/dbraw/zinc/52/39/05/971523905.db2.gz GKEWGIDXHZGSNC-SNVBAGLBSA-N 0 1 285.307 1.667 20 30 CDEDMN C[C@H]1CN(Cc2cnn3ccc(C#N)cc23)CC[C@@H]1O ZINC001249082558 949374293 /nfs/dbraw/zinc/37/42/93/949374293.db2.gz YAGNXKKCWRANKE-NHYWBVRUSA-N 0 1 270.336 1.409 20 30 CDEDMN N#Cc1ccc2cc(CN3CCC[C@H](O)C3)[nH]c2c1 ZINC001249426425 949595022 /nfs/dbraw/zinc/59/50/22/949595022.db2.gz PYKVPYAFENYHRX-AWEZNQCLSA-N 0 1 255.321 1.996 20 30 CDEDMN C#CCN1CCN(Cc2ccc3c(c2)N(CC)CC3)CC1 ZINC001249664602 949739806 /nfs/dbraw/zinc/73/98/06/949739806.db2.gz JRNKGZYCKIMXSR-UHFFFAOYSA-N 0 1 283.419 1.820 20 30 CDEDMN C[C@H](C(=O)[O-])[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CC1 ZINC001602819896 971622790 /nfs/dbraw/zinc/62/27/90/971622790.db2.gz MANISBFKVRGBFZ-SECBINFHSA-N 0 1 289.291 1.904 20 30 CDEDMN C[C@H](C(=O)[O-])[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CC1 ZINC001602819896 971622797 /nfs/dbraw/zinc/62/27/97/971622797.db2.gz MANISBFKVRGBFZ-SECBINFHSA-N 0 1 289.291 1.904 20 30 CDEDMN Nc1ccccc1C(=Nc1ccc2cncn2c1)NO ZINC001250331756 950120011 /nfs/dbraw/zinc/12/00/11/950120011.db2.gz BTONCNBBZRYTJG-UHFFFAOYSA-N 0 1 267.292 1.974 20 30 CDEDMN CC(C)(C)CCCNc1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001573845419 950230354 /nfs/dbraw/zinc/23/03/54/950230354.db2.gz ZBRITXRIUSQPKL-UHFFFAOYSA-N 0 1 286.343 1.767 20 30 CDEDMN CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC001589719709 950405196 /nfs/dbraw/zinc/40/51/96/950405196.db2.gz HCWOCUFKQKZBTE-UPJWGTAASA-N 0 1 295.383 1.037 20 30 CDEDMN C=CCOC[C@H]1c2c(ncn2C)CCN1C[C@H](O)CC ZINC001251771464 950802234 /nfs/dbraw/zinc/80/22/34/950802234.db2.gz SSHSXWFWLBJLLQ-OCCSQVGLSA-N 0 1 279.384 1.293 20 30 CDEDMN C#CCOC[C@@H](O)CN[C@@H](c1ncccc1Cl)C1CC1 ZINC001251902837 950941702 /nfs/dbraw/zinc/94/17/02/950941702.db2.gz AFFARKRHBYEEFX-GXTWGEPZSA-N 0 1 294.782 1.786 20 30 CDEDMN C=CCOC[C@@H](O)CN1CCc2cccc(OC)c2C1 ZINC001252455059 951295996 /nfs/dbraw/zinc/29/59/96/951295996.db2.gz WTFUCBVNBSEABF-AWEZNQCLSA-N 0 1 277.364 1.617 20 30 CDEDMN C=C(Br)CN[C@@H](C)CNC(=O)CC(C)(C)O ZINC001480454675 971736985 /nfs/dbraw/zinc/73/69/85/971736985.db2.gz VENYRLOBXRUFNW-VIFPVBQESA-N 0 1 293.205 1.150 20 30 CDEDMN C=CCOC[C@H](O)CNCc1cc(OCC)ccn1 ZINC001252492188 951363465 /nfs/dbraw/zinc/36/34/65/951363465.db2.gz BJXIDHHWTXLKIW-CYBMUJFWSA-N 0 1 266.341 1.133 20 30 CDEDMN C=C[C@](C)(O)CN1CCN(c2ccccc2F)CC1 ZINC001252549343 951438786 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332155776 /nfs/dbraw/zinc/15/57/76/332155776.db2.gz IRLURMJQOOCASX-GFCCVEGCSA-N 0 1 298.346 1.223 20 30 CDEDMN C#C[C@@H](CC)NCc1cccc(S(C)(=O)=O)c1 ZINC000491252642 332174540 /nfs/dbraw/zinc/17/45/40/332174540.db2.gz JCKDDTMCJHNICG-LBPRGKRZSA-N 0 1 251.351 1.592 20 30 CDEDMN C#C[C@H](C)N(C)C(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000491326058 332190151 /nfs/dbraw/zinc/19/01/51/332190151.db2.gz JMBXSZSIYJNCDN-KBPBESRZSA-N 0 1 281.400 1.006 20 30 CDEDMN C#CCN1CCC(C(=O)OCc2cc(C(C)=O)no2)CC1 ZINC000491405144 332205782 /nfs/dbraw/zinc/20/57/82/332205782.db2.gz GYQPDAYNNHUWLP-UHFFFAOYSA-N 0 1 290.319 1.266 20 30 CDEDMN C#C[C@@H](NC(=O)N1CCN(CC)C[C@@H]1CC)C(C)C ZINC000491658587 332269541 /nfs/dbraw/zinc/26/95/41/332269541.db2.gz LHHLKGWLGJGWMT-UONOGXRCSA-N 0 1 265.401 1.770 20 30 CDEDMN C#CCN1CCC(C(=O)OCCOCC(C)C)CC1 ZINC000491741859 332320558 /nfs/dbraw/zinc/32/05/58/332320558.db2.gz PSVJGDSGEMHQHN-UHFFFAOYSA-N 0 1 267.369 1.547 20 30 CDEDMN C#C[C@@H](CC)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 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275.352 1.569 20 30 CDEDMN C=CCN1CCC[C@@H](NC(=O)c2cncnc2CC)[C@H]1C ZINC000994416846 1161205948 /nfs/dbraw/zinc/20/59/48/1161205948.db2.gz ALLVRYIZUKEMNW-IUODEOHRSA-N 0 1 288.395 1.808 20 30 CDEDMN C=CCN1CC(CNC(=O)c2csnc2C)C1 ZINC001031623899 1161220872 /nfs/dbraw/zinc/22/08/72/1161220872.db2.gz JPMMIUNZWRVMFD-UHFFFAOYSA-N 0 1 251.355 1.299 20 30 CDEDMN C=CCCN1C[C@@H](O)[C@H](NC(=O)c2cc(C(C)C)no2)C1 ZINC001077775425 1161331363 /nfs/dbraw/zinc/33/13/63/1161331363.db2.gz XCNXSXGBBWSJNA-CHWSQXEVSA-N 0 1 293.367 1.149 20 30 CDEDMN C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CC#CC)C[C@H]1C ZINC001080473951 1161562589 /nfs/dbraw/zinc/56/25/89/1161562589.db2.gz FTVDNKOUUVTMRK-TUVASFSCSA-N 0 1 276.380 1.037 20 30 CDEDMN CC#CCN1CC[C@@H]2CCN(C(=O)[C@H](OC)C3CC3)C[C@@H]21 ZINC001084931376 1161917443 /nfs/dbraw/zinc/91/74/43/1161917443.db2.gz QTMUGFFOYHFNLW-VNQPRFMTSA-N 0 1 290.407 1.358 20 30 CDEDMN Cc1ccc2nc(C=NNc3cnn(C)c3)cn2c1 ZINC000789054641 1162070242 /nfs/dbraw/zinc/07/02/42/1162070242.db2.gz 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278.396 1.359 20 30 CDEDMN C=CCN1CC[C@@H](N(C)C(=O)c2conc2COC)C1 ZINC001033576918 922267544 /nfs/dbraw/zinc/26/75/44/922267544.db2.gz XYAMAXGFXUMAIJ-LLVKDONJSA-N 0 1 279.340 1.153 20 30 CDEDMN C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@H]2CC)C1 ZINC001033561066 922268449 /nfs/dbraw/zinc/26/84/49/922268449.db2.gz FOEXMSPKUIBXSC-ZIAGYGMSSA-N 0 1 293.411 1.106 20 30 CDEDMN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(CC)on1)C2 ZINC001098241942 936747288 /nfs/dbraw/zinc/74/72/88/936747288.db2.gz YRRRWMNGXFOJAW-KYOSRNDESA-N 0 1 287.363 1.595 20 30 CDEDMN C#CCN1CC[C@@H](N(C)C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001033602659 922281022 /nfs/dbraw/zinc/28/10/22/922281022.db2.gz GSDDNZXGZPZTHY-RBSFLKMASA-N 0 1 262.397 1.979 20 30 CDEDMN C=CCN1CC[C@H](N(C)C(=O)[C@@H]2Cc3cccnc3C2)C1 ZINC001033617550 922285584 /nfs/dbraw/zinc/28/55/84/922285584.db2.gz PYVBTNRXQXJPRF-CABCVRRESA-N 0 1 285.391 1.515 20 30 CDEDMN CC#CCN1CC[C@@H](N(C)C(=O)Cc2ccccc2F)C1 ZINC001033633384 922295058 /nfs/dbraw/zinc/29/50/58/922295058.db2.gz 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