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1182573148 /nfs/dbraw/zinc/57/31/48/1182573148.db2.gz OWHZNFNOQPFUQE-UHFFFAOYSA-N 0 1 281.359 1.838 10 30 CDEEMN CC#CCN(CC)CCNC(=O)[C@H](C)c1c(C)noc1C ZINC001731811502 1182599524 /nfs/dbraw/zinc/59/95/24/1182599524.db2.gz MPBMVTLZNBGSFR-GFCCVEGCSA-N 0 1 291.395 1.856 10 30 CDEEMN CC#CCN1CCC[C@@H]1CNC(=O)[C@H](C)n1cccn1 ZINC001731820906 1182607860 /nfs/dbraw/zinc/60/78/60/1182607860.db2.gz DYRTYGVQBTVENW-UONOGXRCSA-N 0 1 274.368 1.048 10 30 CDEEMN COCC#CCN1CC[C@@H](CNC(=O)c2ccsc2)C1 ZINC001731838948 1182617520 /nfs/dbraw/zinc/61/75/20/1182617520.db2.gz BJOOUDPEARUOGT-ZDUSSCGKSA-N 0 1 292.404 1.450 10 30 CDEEMN CC#CCN(CCNC(=O)CCOC(C)C)C1CC1 ZINC001731871153 1182639957 /nfs/dbraw/zinc/63/99/57/1182639957.db2.gz AGZWFLINTIXSET-UHFFFAOYSA-N 0 1 266.385 1.405 10 30 CDEEMN CC#CCN(CCNC(=O)c1ccccn1)C1CC1 ZINC001731872777 1182641242 /nfs/dbraw/zinc/64/12/42/1182641242.db2.gz ZLVRYHYRNRHAKU-UHFFFAOYSA-N 0 1 257.337 1.299 10 30 CDEEMN C=C(C)CCC(=O)NCCN(Cc1n[nH]c(C)n1)C1CC1 ZINC001731876486 1182645374 /nfs/dbraw/zinc/64/53/74/1182645374.db2.gz CZNGRACLWUVICG-UHFFFAOYSA-N 0 1 291.399 1.550 10 30 CDEEMN CN(CCNCc1ccccc1C#N)C(=O)Cc1cnc[nH]1 ZINC001731957187 1182699336 /nfs/dbraw/zinc/69/93/36/1182699336.db2.gz BXFFKGTYEPMRDB-UHFFFAOYSA-N 0 1 297.362 1.072 10 30 CDEEMN C=CCC[C@@H](C)N1CC(NC(=O)COc2cc(C)on2)C1 ZINC001732103021 1182771125 /nfs/dbraw/zinc/77/11/25/1182771125.db2.gz INKKOQZPLWYZBB-LLVKDONJSA-N 0 1 293.367 1.517 10 30 CDEEMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)CCCCOC ZINC001732145082 1182801741 /nfs/dbraw/zinc/80/17/41/1182801741.db2.gz HCLOUYUXEIPUKV-KBPBESRZSA-N 0 1 264.369 1.112 10 30 CDEEMN C=CCOCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)C1CC1 ZINC001732150778 1182807550 /nfs/dbraw/zinc/80/75/50/1182807550.db2.gz MQNAUISPMREJSO-KBMXLJTQSA-N 0 1 292.423 1.910 10 30 CDEEMN CC/C(C)=C\C(=O)N(C)[C@@H]1CCN(CC#CCOC)C1 ZINC001732159799 1182822098 /nfs/dbraw/zinc/82/20/98/1182822098.db2.gz ADYZFBVHZXHWKN-IKESIWSLSA-N 0 1 278.396 1.525 10 30 CDEEMN C=C(Cl)CNC[C@@H](C)N(C)C(=O)[C@H](C)OCC ZINC001732412229 1182950841 /nfs/dbraw/zinc/95/08/41/1182950841.db2.gz UHNJTSPJCBPIQJ-MNOVXSKESA-N 0 1 262.781 1.600 10 30 CDEEMN C#CCN(C)CCN(C)C(=O)[C@@H](CCC)c1ccccn1 ZINC001732590462 1183034752 /nfs/dbraw/zinc/03/47/52/1183034752.db2.gz UMMFIRNSECABFB-HNNXBMFYSA-N 0 1 287.407 1.989 10 30 CDEEMN CC#CCN(C)CCN(C)C(=O)c1cccc2nc[nH]c21 ZINC001732595272 1183037760 /nfs/dbraw/zinc/03/77/60/1183037760.db2.gz QEHUOWPEFBFDDX-UHFFFAOYSA-N 0 1 284.363 1.590 10 30 CDEEMN CCN(CCN[C@@H](C)c1n[nH]c(C)n1)C(=O)C#CC1CC1 ZINC001732772691 1183119718 /nfs/dbraw/zinc/11/97/18/1183119718.db2.gz OKICWWTYNHOKGZ-NSHDSACASA-N 0 1 289.383 1.026 10 30 CDEEMN C#CCN(C)C[C@H](C)NC(=O)C1([C@H]2CCCCO2)CCC1 ZINC001733041360 1183258971 /nfs/dbraw/zinc/25/89/71/1183258971.db2.gz AEMBDWIGKSFLFQ-LSDHHAIUSA-N 0 1 292.423 1.796 10 30 CDEEMN C#CCN(C)C[C@H](C)NC(=O)[C@@H](C)CCCOC ZINC001733059875 1183269154 /nfs/dbraw/zinc/26/91/54/1183269154.db2.gz KWHSZKPGYHXZMH-STQMWFEESA-N 0 1 254.374 1.119 10 30 CDEEMN C#CCCCC(=O)N(C)CCCNCc1nocc1C ZINC001733095680 1183288565 /nfs/dbraw/zinc/28/85/65/1183288565.db2.gz NXUBPXSDAMGQAC-UHFFFAOYSA-N 0 1 277.368 1.725 10 30 CDEEMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCN1CCCOC ZINC001733227128 1183355290 /nfs/dbraw/zinc/35/52/90/1183355290.db2.gz RVPSYKPDKFDNEV-KKUMJFAQSA-N 0 1 296.411 1.195 10 30 CDEEMN C#CCN1CCC[C@](C)(CNC(=O)CC[C@H]2CCCO2)C1 ZINC001733456729 1183437483 /nfs/dbraw/zinc/43/74/83/1183437483.db2.gz TXWJIINWQUVJFU-NVXWUHKLSA-N 0 1 292.423 1.797 10 30 CDEEMN C#CCCCCC(=O)NCC1(O)CN(CC2CCCC2)C1 ZINC001733498543 1183450344 /nfs/dbraw/zinc/45/03/44/1183450344.db2.gz GLYZAMGGLQAULL-UHFFFAOYSA-N 0 1 292.423 1.533 10 30 CDEEMN C=CCNC(=O)CN1CCC[C@H](NC(=O)C2CCC2)CC1 ZINC001733752963 1183519172 /nfs/dbraw/zinc/51/91/72/1183519172.db2.gz DAWHSMBIEVBSIQ-AWEZNQCLSA-N 0 1 293.411 1.059 10 30 CDEEMN CCC(CC)C(=O)N1CCC[C@@H]1CN(C)CC#CCOC ZINC001733924852 1183568198 /nfs/dbraw/zinc/56/81/98/1183568198.db2.gz 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C=C(C)CN1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)COC ZINC001266498746 895072016 /nfs/dbraw/zinc/07/20/16/895072016.db2.gz CJJZMWNXLGBECO-KFWWJZLASA-N 0 1 280.412 1.910 10 30 CDEEMN CC#CCN(C)CCNC(=O)C1([C@@H]2CCCCO2)CCC1 ZINC001480889080 895948566 /nfs/dbraw/zinc/94/85/66/895948566.db2.gz GCJSSHDBZDRETK-HNNXBMFYSA-N 0 1 292.423 1.797 10 30 CDEEMN C=CCCC(=O)N1CCC[C@@H](CNCc2nncs2)C1 ZINC001266778065 896032821 /nfs/dbraw/zinc/03/28/21/896032821.db2.gz HNZNCTCITKVFQJ-LBPRGKRZSA-N 0 1 294.424 1.833 10 30 CDEEMN CC#CCN1CCCC[C@H]1CNC(=O)Cc1cccnc1 ZINC001266840303 896162215 /nfs/dbraw/zinc/16/22/15/896162215.db2.gz RVBAHCXOKIBCOW-INIZCTEOSA-N 0 1 285.391 1.618 10 30 CDEEMN C[C@H](CNC(=O)c1cnn(C)c1)NCC#Cc1ccccc1 ZINC001266921726 896346271 /nfs/dbraw/zinc/34/62/71/896346271.db2.gz ICKAZQUYXDPPRG-CQSZACIVSA-N 0 1 296.374 1.180 10 30 CDEEMN Cc1nc(C)c(CN[C@H](C)CNC(=O)C#CC(C)C)o1 ZINC001266934826 896390227 /nfs/dbraw/zinc/39/02/27/896390227.db2.gz AANTVNJRVXXHDC-LLVKDONJSA-N 0 1 277.368 1.545 10 30 CDEEMN C=CCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2CCF ZINC001279541014 896398225 /nfs/dbraw/zinc/39/82/25/896398225.db2.gz IFYOPXKWUHUEFG-OLZOCXBDSA-N 0 1 254.349 1.987 10 30 CDEEMN C#CCN1CC[C@@H]2[C@@H]1CCCN2C(=O)COC(C)(C)C ZINC001279556859 896600480 /nfs/dbraw/zinc/60/04/80/896600480.db2.gz SLVJIMLYQNYUBP-UONOGXRCSA-N 0 1 278.396 1.500 10 30 CDEEMN C#CCN(C)CCNC(=O)c1coc(C(F)F)c1 ZINC001267213635 897170230 /nfs/dbraw/zinc/17/02/30/897170230.db2.gz SHXZBYARNKOEAI-UHFFFAOYSA-N 0 1 256.252 1.512 10 30 CDEEMN CC#CCN(C)CCNC(=O)c1ccc(COC)c(F)c1 ZINC001267227105 897230175 /nfs/dbraw/zinc/23/01/75/897230175.db2.gz COLNCAAODCTXEG-UHFFFAOYSA-N 0 1 292.354 1.657 10 30 CDEEMN C#CCN(C)CCNC(=O)COc1ccc2c(c1)CCC2 ZINC001267229935 897236079 /nfs/dbraw/zinc/23/60/79/897236079.db2.gz QCBJRHGYMZSEEV-UHFFFAOYSA-N 0 1 286.375 1.235 10 30 CDEEMN C#CCN(CC)CCNC(=O)CCCC1CCOCC1 ZINC001267242652 897303237 /nfs/dbraw/zinc/30/32/37/897303237.db2.gz TXLCWCWUSHFCJG-UHFFFAOYSA-N 0 1 280.412 1.655 10 30 CDEEMN CC#CCN1CCC[C@@H]1CNC(=O)Cc1ccc(F)cc1 ZINC001267281260 897457189 /nfs/dbraw/zinc/45/71/89/897457189.db2.gz KLXYYPDCNRJAOO-MRXNPFEDSA-N 0 1 288.366 1.972 10 30 CDEEMN C#CCN[C@H](CNC(=O)c1ccn[nH]1)c1ccccc1 ZINC001267351297 897682881 /nfs/dbraw/zinc/68/28/81/897682881.db2.gz QOKPFYIPZBZXTH-CQSZACIVSA-N 0 1 268.320 1.104 10 30 CDEEMN C#CCN(C)CCNC(=O)c1ccc(-c2ncon2)cc1 ZINC001480937132 897776640 /nfs/dbraw/zinc/77/66/40/897776640.db2.gz AFWDJUIWKMYNTR-UHFFFAOYSA-N 0 1 284.319 1.031 10 30 CDEEMN C=CCN1CC[C@H](N(CCC)C(=O)c2cccc(=O)[nH]2)C1 ZINC001267455120 897924616 /nfs/dbraw/zinc/92/46/16/897924616.db2.gz VWXJGIJUJCDDMQ-ZDUSSCGKSA-N 0 1 289.379 1.900 10 30 CDEEMN C=CCN1CC[C@H](N(CCC)C(=O)[C@@H]2CCOC2)C1 ZINC001267538927 898288911 /nfs/dbraw/zinc/28/89/11/898288911.db2.gz QGBKUFMLQIVAIY-KGLIPLIRSA-N 0 1 266.385 1.522 10 30 CDEEMN C=CCN1CC[C@@H](N(CCC)C(=O)c2ccc(=O)[nH]c2)C1 ZINC001267548491 898321321 /nfs/dbraw/zinc/32/13/21/898321321.db2.gz GOSKHCCIDLDRHL-CQSZACIVSA-N 0 1 289.379 1.900 10 30 CDEEMN C=CCN1CCN(CCN(C)C(=O)[C@H]2CCC2(C)C)CC1 ZINC001267574389 898472715 /nfs/dbraw/zinc/47/27/15/898472715.db2.gz FQKSAPOABJMGMV-OAHLLOKOSA-N 0 1 293.455 1.685 10 30 CDEEMN CC#CCN(CC)CCNC(=O)c1cn2nccc2nc1C ZINC001481008811 898478520 /nfs/dbraw/zinc/47/85/20/898478520.db2.gz VTVCXVLJGSUMIP-UHFFFAOYSA-N 0 1 299.378 1.113 10 30 CDEEMN CC#CCN1CCC[C@@H]1CNC(=O)Cc1ccsc1 ZINC001481024712 898534385 /nfs/dbraw/zinc/53/43/85/898534385.db2.gz HXQVALJFCOYHRP-CQSZACIVSA-N 0 1 276.405 1.895 10 30 CDEEMN C#CCN1CCC[C@@H]1CNC(=O)/C=C/c1ccc[nH]1 ZINC001481035799 898603431 /nfs/dbraw/zinc/60/34/31/898603431.db2.gz NYBNMHCFWUZLIB-HSBSLETESA-N 0 1 257.337 1.242 10 30 CDEEMN CC#CCN1CCC[C@H]1CNC(=O)Cc1ncccc1F ZINC001481054906 898698002 /nfs/dbraw/zinc/69/80/02/898698002.db2.gz VQKZRXDUYOBXEC-ZDUSSCGKSA-N 0 1 289.354 1.367 10 30 CDEEMN C#CCN1CCC[C@H]1CNC(=O)C[C@@H](C)n1cccn1 ZINC001481064436 898722455 /nfs/dbraw/zinc/72/24/55/898722455.db2.gz PUJOCDOSNQFOIG-KGLIPLIRSA-N 0 1 274.368 1.048 10 30 CDEEMN C=C[C@](C)(O)CC(=O)NC[C@@H]1CCN(C/C=C/Cl)C1 ZINC001481090867 898792086 /nfs/dbraw/zinc/79/20/86/898792086.db2.gz GRTNMCJLHZWZRQ-JRCXTIHVSA-N 0 1 286.803 1.504 10 30 CDEEMN C=C(C)[C@@H](CC(=O)N[C@@H]1CCCN(CC#CC)C1)OCC ZINC001267613933 898932433 /nfs/dbraw/zinc/93/24/33/898932433.db2.gz YMJMHJNRIRZALE-HZPDHXFCSA-N 0 1 292.423 1.962 10 30 CDEEMN CCCN(CC#CCOC)CCNC(=O)[C@]12C[C@H]1CCC2 ZINC001481142556 898968406 /nfs/dbraw/zinc/96/84/06/898968406.db2.gz KPHORHHODOIHSK-NVXWUHKLSA-N 0 1 292.423 1.655 10 30 CDEEMN C=CCC[C@H](C)N1CC(NC(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001267667588 899213355 /nfs/dbraw/zinc/21/33/55/899213355.db2.gz COWIORPWNOUDQI-JSGCOSHPSA-N 0 1 293.411 1.152 10 30 CDEEMN C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)C1(COCC)CC1 ZINC001267709712 899341872 /nfs/dbraw/zinc/34/18/72/899341872.db2.gz VALHRRMGVGPCKH-KBPBESRZSA-N 0 1 278.396 1.664 10 30 CDEEMN C=C(Cl)CNCCN(C)C(=O)c1ncoc1CC ZINC001481216977 899415555 /nfs/dbraw/zinc/41/55/55/899415555.db2.gz XBVNQYVPCOWEFL-UHFFFAOYSA-N 0 1 271.748 1.651 10 30 CDEEMN CC#CCN1CC[C@@H](NC(=O)CCc2csc(C)n2)C1 ZINC001267749699 899573554 /nfs/dbraw/zinc/57/35/54/899573554.db2.gz NKOXMKHWQMOJGP-CYBMUJFWSA-N 0 1 291.420 1.598 10 30 CDEEMN C=C[C@](C)(O)CC(=O)NCc1ccc(CNCCF)cc1 ZINC001267936045 900005800 /nfs/dbraw/zinc/00/58/00/900005800.db2.gz DVXOFURZXWRXHL-INIZCTEOSA-N 0 1 294.370 1.689 10 30 CDEEMN C=C(C)C(C)(C)C(=O)NC[C@H](C)CNCc1nnc(C)[nH]1 ZINC001267999993 900234200 /nfs/dbraw/zinc/23/42/00/900234200.db2.gz USSYECIDXMUHDY-LLVKDONJSA-N 0 1 293.415 1.557 10 30 CDEEMN C#CCCN1CC[C@@H](N(CCC)C(=O)c2cocn2)C1 ZINC001481393938 900540167 /nfs/dbraw/zinc/54/01/67/900540167.db2.gz ANLBXFKYDAJVSG-CYBMUJFWSA-N 0 1 275.352 1.624 10 30 CDEEMN CC(C)(C(=O)NCC[C@@H]1CCN(CC#N)C1)c1cnc[nH]1 ZINC001481459708 900746289 /nfs/dbraw/zinc/74/62/89/900746289.db2.gz SJEGTYUNSUJNPR-GFCCVEGCSA-N 0 1 289.383 1.039 10 30 CDEEMN C=CCN1CCN(CCN(C)C(=O)[C@@H]2CC[C@H](F)C2)CC1 ZINC001481471992 900828113 /nfs/dbraw/zinc/82/81/13/900828113.db2.gz UBMHRABSGPLOIP-CABCVRRESA-N 0 1 297.418 1.387 10 30 CDEEMN C=C(C)CCN1CC(NC(=O)CCCCOC)C1 ZINC001481548604 901169550 /nfs/dbraw/zinc/16/95/50/901169550.db2.gz CZIZWPWHDDNMKQ-UHFFFAOYSA-N 0 1 254.374 1.570 10 30 CDEEMN C=CCC[C@H](C)N1CC(NC(=O)Cc2ccoc2)C1 ZINC001481552908 901197593 /nfs/dbraw/zinc/19/75/93/901197593.db2.gz DWBXZKVLRYTHEB-LBPRGKRZSA-N 0 1 262.353 1.977 10 30 CDEEMN C=C(Cl)CN[C@@H](C)[C@@H](C)NC(=O)C#CC1CC1 ZINC001282128522 901528928 /nfs/dbraw/zinc/52/89/28/901528928.db2.gz LYXZUSPGZVBIQD-WDEREUQCSA-N 0 1 254.761 1.635 10 30 CDEEMN C#CCN1CC[C@H]2CN(C(=O)CCCC(C)=O)CC[C@@H]21 ZINC001268261595 901694796 /nfs/dbraw/zinc/69/47/96/901694796.db2.gz FBCGRVXTRNVODI-GJZGRUSLSA-N 0 1 276.380 1.302 10 30 CDEEMN C=CCCC(=O)N[C@H]1CCC[C@@H]1CNCc1cnn(C)n1 ZINC001268270238 901716458 /nfs/dbraw/zinc/71/64/58/901716458.db2.gz JJAYNIWJVNVQOO-OCCSQVGLSA-N 0 1 291.399 1.156 10 30 CDEEMN C=C(C)CCC(=O)NC[C@H](O)CNC/C(Cl)=C\Cl ZINC001268304875 901800957 /nfs/dbraw/zinc/80/09/57/901800957.db2.gz BSLPQVIXRNRHAQ-IGLBNKAOSA-N 0 1 295.210 1.728 10 30 CDEEMN C=CCC(C)(C)C(=O)N[C@H]1CCN(CCn2cccn2)C1 ZINC001481693853 901812966 /nfs/dbraw/zinc/81/29/66/901812966.db2.gz ACFKMBZADCTIJS-AWEZNQCLSA-N 0 1 290.411 1.676 10 30 CDEEMN C=CCCC(=O)N[C@@H]1CCN([C@H](CCCC)C(N)=O)C1 ZINC001481699668 901825972 /nfs/dbraw/zinc/82/59/72/901825972.db2.gz LUSQPBFRSMJBEM-CHWSQXEVSA-N 0 1 281.400 1.187 10 30 CDEEMN C#Cc1ccc(C(=O)N[C@@H](C)CCNCc2ccon2)cn1 ZINC001268412872 902027558 /nfs/dbraw/zinc/02/75/58/902027558.db2.gz CNGXPCXPXYXEDX-LBPRGKRZSA-N 0 1 298.346 1.349 10 30 CDEEMN C=C(C)C(C)(C)C(=O)NC1CN([C@@H](C)c2n[nH]c(C)n2)C1 ZINC001268432959 902048353 /nfs/dbraw/zinc/04/83/53/902048353.db2.gz KQAJYKOTWYIOJQ-JTQLQIEISA-N 0 1 291.399 1.577 10 30 CDEEMN CC[C@H](CNC(=O)C#CC(C)C)NCc1cnns1 ZINC001481809606 902164305 /nfs/dbraw/zinc/16/43/05/902164305.db2.gz MEMQARBHABFEFJ-LLVKDONJSA-N 0 1 280.397 1.182 10 30 CDEEMN C=C(Cl)CNCC=CCNC(=O)c1n[nH]c(C)c1C ZINC001268518417 902491416 /nfs/dbraw/zinc/49/14/16/902491416.db2.gz HRKZZCZJDCGGTJ-SNAWJCMRSA-N 0 1 282.775 1.655 10 30 CDEEMN C=C(Cl)CNC/C=C\CNC(=O)c1nc(C)oc1C ZINC001268607120 902817100 /nfs/dbraw/zinc/81/71/00/902817100.db2.gz ILUCUMOUCDKELF-PLNGDYQASA-N 0 1 283.759 1.920 10 30 CDEEMN C=C(C)CCN1CCO[C@@H](CNC(=O)CC2CCC2)C1 ZINC001482183396 902849788 /nfs/dbraw/zinc/84/97/88/902849788.db2.gz CBPSFWKKIGVIHS-HNNXBMFYSA-N 0 1 280.412 1.960 10 30 CDEEMN C=C1CC(C)(C(=O)N[C@H](C)CNCc2cc(C)n(C)n2)C1 ZINC001268660920 902915145 /nfs/dbraw/zinc/91/51/45/902915145.db2.gz ASRUDADGKCDEHD-GFCCVEGCSA-N 0 1 290.411 1.679 10 30 CDEEMN C=CC(C)(C)C(=O)N[C@@H](C)CNCc1cccnc1OC ZINC001268700352 902980925 /nfs/dbraw/zinc/98/09/25/902980925.db2.gz OPLUNEIRFXZZJU-LBPRGKRZSA-N 0 1 291.395 1.897 10 30 CDEEMN C=CC(C)(C)C(=O)N[C@@H](C)CN(C)Cc1n[nH]c(C)n1 ZINC001268741781 903067818 /nfs/dbraw/zinc/06/78/18/903067818.db2.gz YHPQFODUZIBJLC-JTQLQIEISA-N 0 1 279.388 1.262 10 30 CDEEMN C=CCOCCN1CC(CNC(=O)[C@H]2CC23CCC3)C1 ZINC001268883670 903212355 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293.411 1.010 10 30 CDEEMN C=CCN1CC[C@@H](N(C)C[C@@H](C)NC(=O)CC2CC2)C1=O ZINC001483302091 910820742 /nfs/dbraw/zinc/82/07/42/910820742.db2.gz MKHNUZZDYVEZED-TZMCWYRMSA-N 0 1 293.411 1.010 10 30 CDEEMN C=CCOCC(=O)N[C@@H](C)CN(C)CCC(F)(F)F ZINC001483319029 910860376 /nfs/dbraw/zinc/86/03/76/910860376.db2.gz FDUMJHQHHUWGBS-JTQLQIEISA-N 0 1 282.306 1.578 10 30 CDEEMN CC#CCN(C)C[C@H](C)NC(=O)c1ccc2ncn(C)c2n1 ZINC001483384910 911039063 /nfs/dbraw/zinc/03/90/63/911039063.db2.gz STDGOHZRYYZYAH-LBPRGKRZSA-N 0 1 299.378 1.042 10 30 CDEEMN C=CCCC(=O)NC[C@H]1CCN1Cc1n[nH]c(C(C)C)n1 ZINC001483637568 912103868 /nfs/dbraw/zinc/10/38/68/912103868.db2.gz YWGWEPDSYJEWCZ-GFCCVEGCSA-N 0 1 291.399 1.585 10 30 CDEEMN COCC#CCN1CC[C@](C)(NC(=O)/C=C(/C)C2CC2)C1 ZINC001484032235 915304613 /nfs/dbraw/zinc/30/46/13/915304613.db2.gz LQWREWUCYWPIHM-AINHQSCGSA-N 0 1 290.407 1.573 10 30 CDEEMN C#CCN1CC[C@](C)(NC(=O)C[C@@H](C)n2cccn2)C1 ZINC001484065710 915374505 /nfs/dbraw/zinc/37/45/05/915374505.db2.gz 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DCRAZSGVWXLGPV-CYBMUJFWSA-N 0 1 274.368 1.278 10 30 CDEEMN C#CCCCN1CCN(C(=O)c2cc(C)[nH]n2)C[C@H]1C ZINC000839114016 796621360 /nfs/dbraw/zinc/62/13/60/796621360.db2.gz DCRAZSGVWXLGPV-CYBMUJFWSA-N 0 1 274.368 1.278 10 30 CDEEMN C#CCNC(=O)CN[C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000775270401 796694917 /nfs/dbraw/zinc/69/49/17/796694917.db2.gz WLBKQWGUNAUNGV-ZDUSSCGKSA-N 0 1 299.374 1.213 10 30 CDEEMN C#CCOc1ccccc1CN1CC[C@@](O)(C(F)F)C1 ZINC000824726439 796702095 /nfs/dbraw/zinc/70/20/95/796702095.db2.gz MKYZLMHOBUGHEA-HNNXBMFYSA-N 0 1 281.302 1.901 10 30 CDEEMN CN1CC[C@@H]1CNC(=O)Nc1ccc(F)c(C#N)c1 ZINC000930189535 796719986 /nfs/dbraw/zinc/71/99/86/796719986.db2.gz XDFXGKHRYVTHFO-LLVKDONJSA-N 0 1 262.288 1.523 10 30 CDEEMN N#Cc1cc(C(=O)OCCCNC(=O)C(F)(F)F)co1 ZINC000870007720 796759482 /nfs/dbraw/zinc/75/94/82/796759482.db2.gz CSKNBZLYIAQZHH-UHFFFAOYSA-N 0 1 290.197 1.377 10 30 CDEEMN N#CC[C@H](C(=O)NCCCc1nc[nH]n1)c1ccccc1 ZINC001633880158 1166456888 /nfs/dbraw/zinc/45/68/88/1166456888.db2.gz HJWPMMWFGZYQRR-ZDUSSCGKSA-N 0 1 283.335 1.551 10 30 CDEEMN C#CCN1CCC(C(=O)N(C)C2(COC)CCC2)CC1 ZINC000874938052 796822860 /nfs/dbraw/zinc/82/28/60/796822860.db2.gz HZOSBBXGCJOVRX-UHFFFAOYSA-N 0 1 278.396 1.359 10 30 CDEEMN C=CC[C@H](C(=O)OC)N1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000878661463 796828205 /nfs/dbraw/zinc/82/82/05/796828205.db2.gz DCGGOPIZOMHWKZ-CHWSQXEVSA-N 0 1 296.411 1.718 10 30 CDEEMN C#CCN1CCC(NC(=O)NCC(C)(C)C(C)(C)O)CC1 ZINC000922776988 796884209 /nfs/dbraw/zinc/88/42/09/796884209.db2.gz OPANSNBYAXJISD-UHFFFAOYSA-N 0 1 295.427 1.180 10 30 CDEEMN CCc1nc([C@@H](C)NC(=O)c2sccc2CC#N)n[nH]1 ZINC000867085425 796932290 /nfs/dbraw/zinc/93/22/90/796932290.db2.gz URTUPEWYKUFMRN-MRVPVSSYSA-N 0 1 289.364 1.986 10 30 CDEEMN C#CCC(CC#C)C(=O)N1C[C@@H](C)N(CC)C[C@H]1C ZINC000807178674 797013150 /nfs/dbraw/zinc/01/31/50/797013150.db2.gz QYSRASCCYQBXLC-ZIAGYGMSSA-N 0 1 260.381 1.590 10 30 CDEEMN C#Cc1ccc(NC(=O)CCN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000929759024 797041078 /nfs/dbraw/zinc/04/10/78/797041078.db2.gz HZAFVXFKWLGACQ-IYBDPMFKSA-N 0 1 284.359 1.860 10 30 CDEEMN C#CCCCCCN1CC[C@H](OC)C[C@H]1C(=O)OC ZINC000878382271 797188469 /nfs/dbraw/zinc/18/84/69/797188469.db2.gz LSFWQQGBVKMPIJ-KBPBESRZSA-N 0 1 267.369 1.832 10 30 CDEEMN C=CC[C@@H](C(=O)OC)N1CCC(Cn2ccnn2)CC1 ZINC000878297097 797287599 /nfs/dbraw/zinc/28/75/99/797287599.db2.gz WAIZJHXRHQIZFT-ZDUSSCGKSA-N 0 1 278.356 1.108 10 30 CDEEMN C=C(Cl)C[C@@H](NC(=O)[C@@H](C)N(C)C)C(=O)OCC ZINC000825147522 797325862 /nfs/dbraw/zinc/32/58/62/797325862.db2.gz NOYRPKFTNIWKGG-NXEZZACHSA-N 0 1 276.764 1.127 10 30 CDEEMN C#C[C@H](NCc1cc(C)c(C(=O)OC)[nH]1)[C@@H]1CCCO1 ZINC000877418139 797328295 /nfs/dbraw/zinc/32/82/95/797328295.db2.gz VUHUBYBCGPKNHQ-STQMWFEESA-N 0 1 276.336 1.380 10 30 CDEEMN CO[C@H]1CCCN(NC(=O)N=c2s[nH]c(C)c2C#N)C1 ZINC000931341079 797382954 /nfs/dbraw/zinc/38/29/54/797382954.db2.gz CQOYWSVDPFIZSY-VIFPVBQESA-N 0 1 295.368 1.471 10 30 CDEEMN CC(C)(Cc1ccc(C#N)cc1)NC(=O)Cc1nnc[nH]1 ZINC000928696981 797515834 /nfs/dbraw/zinc/51/58/34/797515834.db2.gz BEBMVZHRYSHPFD-UHFFFAOYSA-N 0 1 283.335 1.356 10 30 CDEEMN C[C@H](C(=O)N1CCC[C@@](C#N)(c2ccccn2)C1)N(C)C ZINC000824395266 797525725 /nfs/dbraw/zinc/52/57/25/797525725.db2.gz FTSPACBXJNXMOJ-CJNGLKHVSA-N 0 1 286.379 1.415 10 30 CDEEMN C#CCN1CCC(NC(=O)CNc2ccc(C#N)cc2)CC1 ZINC000928656824 797566506 /nfs/dbraw/zinc/56/65/06/797566506.db2.gz DUNPPNFCXRHCFP-UHFFFAOYSA-N 0 1 296.374 1.184 10 30 CDEEMN C#CCC(CC#C)C(=O)OCc1nnc(C(C)(C)C)[nH]1 ZINC000814476769 797588066 /nfs/dbraw/zinc/58/80/66/797588066.db2.gz GLTHMYFLKHDZGV-UHFFFAOYSA-N 0 1 273.336 1.808 10 30 CDEEMN C#CCC(CC#C)C(=O)OCc1n[nH]c(C(C)(C)C)n1 ZINC000814476769 797588108 /nfs/dbraw/zinc/58/81/08/797588108.db2.gz GLTHMYFLKHDZGV-UHFFFAOYSA-N 0 1 273.336 1.808 10 30 CDEEMN C#C[C@@H]1COCCN1Cc1cccc(Br)c1O ZINC000839186243 797599779 /nfs/dbraw/zinc/59/97/79/797599779.db2.gz CMCMFXVVUXGZNW-LLVKDONJSA-N 0 1 296.164 1.989 10 30 CDEEMN C=CCOCCCNCc1cn(-c2ccccc2)nn1 ZINC000850377732 797657751 /nfs/dbraw/zinc/65/77/51/797657751.db2.gz KJGSCUFCGPLEQX-UHFFFAOYSA-N 0 1 272.352 1.950 10 30 CDEEMN COCCCNC(=O)[C@H](C#N)C(=O)CC1(C)CCCC1 ZINC000808979483 797727146 /nfs/dbraw/zinc/72/71/46/797727146.db2.gz ZYZQAIFWKIASMN-GFCCVEGCSA-N 0 1 280.368 1.818 10 30 CDEEMN N#Cc1cccc(ONC(=O)[C@@H]2CC23CCOCC3)c1 ZINC000870693236 797745791 /nfs/dbraw/zinc/74/57/91/797745791.db2.gz ZLPSNSJSHGFTCF-ZDUSSCGKSA-N 0 1 272.304 1.785 10 30 CDEEMN C#CC1(O)CCN(C(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000708133661 797807460 /nfs/dbraw/zinc/80/74/60/797807460.db2.gz IXRYGKYFUBVOAJ-UHFFFAOYSA-N 0 1 279.723 1.646 10 30 CDEEMN C#CC[C@H]1CCCN(C(=O)NCc2cn[nH]c2C)C1 ZINC000825767111 797852740 /nfs/dbraw/zinc/85/27/40/797852740.db2.gz LLZJHFLYDMJKPR-LBPRGKRZSA-N 0 1 260.341 1.663 10 30 CDEEMN CC#CCOC(=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C ZINC000869832465 798002739 /nfs/dbraw/zinc/00/27/39/798002739.db2.gz RJCYNEAZJNUBGN-NSHDSACASA-N 0 1 284.356 1.008 10 30 CDEEMN C#C[C@@H](NC(=O)NCCN1CCC1)c1ccc(F)cc1 ZINC000820484010 798018133 /nfs/dbraw/zinc/01/81/33/798018133.db2.gz UIOGNVAVFSQTHZ-CQSZACIVSA-N 0 1 275.327 1.505 10 30 CDEEMN C#C[C@@H]1CCCN([C@@H](C)C(=O)NCCCOCC)C1 ZINC000847024520 798056594 /nfs/dbraw/zinc/05/65/94/798056594.db2.gz RATIENGGTZWHAO-UONOGXRCSA-N 0 1 266.385 1.263 10 30 CDEEMN C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)N1Cc1ccncc1C#N ZINC000930914354 798065547 /nfs/dbraw/zinc/06/55/47/798065547.db2.gz UEXANYMYGPVBNN-UHIISALHSA-N 0 1 272.352 1.428 10 30 CDEEMN C#C[C@H](NC(=O)N1CCN(CC)C[C@H]1C)C(C)C ZINC001470399465 970324700 /nfs/dbraw/zinc/32/47/00/970324700.db2.gz XGFZAZNWPGCVMI-OLZOCXBDSA-N 0 1 251.374 1.380 10 30 CDEEMN C#CCN1CC[C@H](NC(=O)C[C@@H](C)n2cccn2)[C@H]1C ZINC001691744801 1166963608 /nfs/dbraw/zinc/96/36/08/1166963608.db2.gz FUTBKZGDVRQQMY-MCIONIFRSA-N 0 1 274.368 1.046 10 30 CDEEMN C=C[C@@](C)(CC)C(=O)NCC[C@@H](C)NC(=O)c1cnn[nH]1 ZINC001355291516 1167504801 /nfs/dbraw/zinc/50/48/01/1167504801.db2.gz AHKFTDPBOCUFKL-YGRLFVJLSA-N 0 1 293.371 1.032 10 30 CDEEMN C=C[C@](C)(CCOC)C(=O)NC[C@@H]1CCN1C(C)C ZINC001569367399 1167558166 /nfs/dbraw/zinc/55/81/66/1167558166.db2.gz GNMBWMJUOAXWDO-DZGCQCFKSA-N 0 1 268.401 1.814 10 30 CDEEMN C=C(C)C(C)(C)C(=O)N(C)C1CN(C[C@H]2CCOC2)C1 ZINC001569495733 1167562399 /nfs/dbraw/zinc/56/23/99/1167562399.db2.gz OPXYVNUHTOVEJJ-CYBMUJFWSA-N 0 1 280.412 1.768 10 30 CDEEMN C=CC(C)(C)C(=O)N(C)C[C@@H]1CCN1C[C@H](C)O ZINC001565823042 1168171006 /nfs/dbraw/zinc/17/10/06/1168171006.db2.gz QTNMNZMFSHBUND-RYUDHWBXSA-N 0 1 254.374 1.112 10 30 CDEEMN CC#CCN(CCO)[C@H]1CCCN(C(=O)CCC2CC2)C1 ZINC001566030748 1168217582 /nfs/dbraw/zinc/21/75/82/1168217582.db2.gz MNGSRKMQVZOXIW-INIZCTEOSA-N 0 1 292.423 1.485 10 30 CDEEMN C=CCN1CCC[C@@H](NC(=O)CCc2cnn(C)c2C)C1 ZINC001566623485 1168359758 /nfs/dbraw/zinc/35/97/58/1168359758.db2.gz NIMCHFRYNYHZDF-OAHLLOKOSA-N 0 1 290.411 1.428 10 30 CDEEMN C=CCN1CCN(CCNC(=O)[C@@H](C)c2ccco2)CC1 ZINC001566652581 1168367673 /nfs/dbraw/zinc/36/76/73/1168367673.db2.gz SLVUMLJOYBVVEI-AWEZNQCLSA-N 0 1 291.395 1.303 10 30 CDEEMN C=C1CC(C)(C(=O)N[C@H]2CCN(CCOCCOC)C2)C1 ZINC001566672266 1168381485 /nfs/dbraw/zinc/38/14/85/1168381485.db2.gz JWEYQTKVBQXTSC-AWEZNQCLSA-N 0 1 296.411 1.196 10 30 CDEEMN C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](NCc2ncnn2C)C1 ZINC001566802843 1168428211 /nfs/dbraw/zinc/42/82/11/1168428211.db2.gz GMVPNMBDWLRWKJ-HUBLWGQQSA-N 0 1 291.399 1.154 10 30 CDEEMN C#CCN1CCCC[C@H]1CNC(=O)Cc1cnccc1C ZINC001566923064 1168469319 /nfs/dbraw/zinc/46/93/19/1168469319.db2.gz KXSSPRXSTYXOAL-INIZCTEOSA-N 0 1 285.391 1.536 10 30 CDEEMN CC(C)C#CC(=O)NC1CCC(NCc2ccon2)CC1 ZINC001566983613 1168487904 /nfs/dbraw/zinc/48/79/04/1168487904.db2.gz JYUNCPBPXCUMFL-UHFFFAOYSA-N 0 1 289.379 1.851 10 30 CDEEMN N#Cc1ccccc1OC[C@H](O)CN1CC[C@@]12CCOC2 ZINC001647317683 1168554108 /nfs/dbraw/zinc/55/41/08/1168554108.db2.gz UHXIPUUCXOXZKF-ZBFHGGJFSA-N 0 1 288.347 1.163 10 30 CDEEMN C#CCN(CC)CCNC(=O)COc1cccc(Cl)c1 ZINC001567352374 1168698259 /nfs/dbraw/zinc/69/82/59/1168698259.db2.gz OIPKHISHFQMTDY-UHFFFAOYSA-N 0 1 294.782 1.790 10 30 CDEEMN C#CCN1CCC[C@@H]1CNC(=O)C[C@H]1CCCOC1 ZINC001567391361 1168724155 /nfs/dbraw/zinc/72/41/55/1168724155.db2.gz OCFFMNCRMSNBPB-ZIAGYGMSSA-N 0 1 264.369 1.017 10 30 CDEEMN C#CCN1CCC[C@H]1CNC(=O)C[C@H]1CCCOC1 ZINC001567391359 1168725569 /nfs/dbraw/zinc/72/55/69/1168725569.db2.gz OCFFMNCRMSNBPB-KGLIPLIRSA-N 0 1 264.369 1.017 10 30 CDEEMN C=C(Cl)CNCCN(C)C(=O)[C@@H](C)OCC(C)C ZINC001567472060 1168789216 /nfs/dbraw/zinc/78/92/16/1168789216.db2.gz MCELZMWYLZCQKU-GFCCVEGCSA-N 0 1 276.808 1.848 10 30 CDEEMN C=C(C)C[C@H](CO)NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC001175916567 913849629 /nfs/dbraw/zinc/84/96/29/913849629.db2.gz AYGMGBQGXXHICG-SNVBAGLBSA-N 0 1 280.280 1.357 10 30 CDEEMN CC#CCN1CC[C@@H](NC(=O)C[C@H](C)c2cnn(C)c2)C1 ZINC001266331437 894419047 /nfs/dbraw/zinc/41/90/47/894419047.db2.gz QFQQIEXKFZBLJG-DZGCQCFKSA-N 0 1 288.395 1.128 10 30 CDEEMN C=CCC1(C(=O)N[C@@H]2CC[N@H+](CCO)C2)CCCCC1 ZINC001266361122 894566379 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C=CCOCCNC(=O)NC[C@@H](c1cccs1)N(C)C ZINC000679463019 483366742 /nfs/dbraw/zinc/36/67/42/483366742.db2.gz XGCJEDPIGIMRGJ-LBPRGKRZSA-N 0 1 297.424 1.853 10 30 CDEEMN C=C[C@H]1CCCCN1C(=O)N[C@H]1CCCN(C)C1 ZINC000683822147 483644778 /nfs/dbraw/zinc/64/47/78/483644778.db2.gz LWEQCXGAWFIZQT-STQMWFEESA-N 0 1 251.374 1.831 10 30 CDEEMN C=CCC1(C(=O)NC[C@H](C)N(C)CC#CCOC)CCC1 ZINC001700473465 1160676092 /nfs/dbraw/zinc/67/60/92/1160676092.db2.gz HGGVTGRADLNIGD-HNNXBMFYSA-N 0 1 292.423 1.819 10 30 CDEEMN CC#CCN(C)C[C@@H](C)NC(=O)c1scnc1Cl ZINC001483423279 1160920030 /nfs/dbraw/zinc/92/00/30/1160920030.db2.gz YLXLWXCSQIZFBH-SECBINFHSA-N 0 1 285.800 1.870 10 30 CDEEMN C#Cc1ccc(C(=O)NCCCN(C)CCF)cn1 ZINC001712983778 1178284911 /nfs/dbraw/zinc/28/49/11/1178284911.db2.gz LGABQNUPQYZNBR-UHFFFAOYSA-N 0 1 263.316 1.084 10 30 CDEEMN C=CCOCC(=O)N[C@@]1(C)CCN(Cc2ccccn2)C1 ZINC001484038278 1161251310 /nfs/dbraw/zinc/25/13/10/1161251310.db2.gz UDRPVYLQZKXFSY-INIZCTEOSA-N 0 1 289.379 1.365 10 30 CDEEMN C#CCN(C(=O)c1ccsc1)C1CCN(CC#C)CC1 ZINC001733364478 1161325976 /nfs/dbraw/zinc/32/59/76/1161325976.db2.gz BDOWYPXIFAZMTN-UHFFFAOYSA-N 0 1 286.400 1.921 10 30 CDEEMN C=CCCN1CCN(C(=O)C[C@@](C)(O)C2CC2)CC1 ZINC001687473011 1161383967 /nfs/dbraw/zinc/38/39/67/1161383967.db2.gz FOZUXROPBMLWDH-OAHLLOKOSA-N 0 1 266.385 1.258 10 30 CDEEMN C=CCCC(=O)NC1(C)CCN([C@@H](CC)C(N)=O)CC1 ZINC001671403138 1161398461 /nfs/dbraw/zinc/39/84/61/1161398461.db2.gz PPTJZHNSDKLGSI-LBPRGKRZSA-N 0 1 281.400 1.187 10 30 CDEEMN CC#CCN(C)CCNC(=O)c1cc(CCC)n[nH]1 ZINC001713462608 1178580330 /nfs/dbraw/zinc/58/03/30/1178580330.db2.gz XRTRVSHLRJLIQH-UHFFFAOYSA-N 0 1 262.357 1.047 10 30 CDEEMN CCCC[C@@H](C(N)=O)N(CC)CCNC(=O)C#CC(C)C ZINC001713484345 1178600197 /nfs/dbraw/zinc/60/01/97/1178600197.db2.gz DSLLGQQOHYCXHO-AWEZNQCLSA-N 0 1 295.427 1.128 10 30 CDEEMN COCC#CCN(C)CCNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001714559982 1179217916 /nfs/dbraw/zinc/21/79/16/1179217916.db2.gz JJGJVMSPQYTHDU-HUUCEWRRSA-N 0 1 280.412 1.366 10 30 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274.368 1.139 10 30 CDEEMN C[C@@H](N[C@@H](C)c1cn[nH]c1)C(=O)NC1(C#N)CCC1 ZINC000584266271 327204328 /nfs/dbraw/zinc/20/43/28/327204328.db2.gz MZLUOSOFCFBLEQ-VHSXEESVSA-N 0 1 261.329 1.011 10 30 CDEEMN C#CCO[C@H](C)C(=O)NCC[C@H](C)NCc1cscn1 ZINC001267129546 1159130897 /nfs/dbraw/zinc/13/08/97/1159130897.db2.gz RMVJIQDSQSKBST-NWDGAFQWSA-N 0 1 295.408 1.166 10 30 CDEEMN N#C[C@H]1CCC[C@@H](NCc2nnc3ccccn32)C1 ZINC000185715465 329330350 /nfs/dbraw/zinc/33/03/50/329330350.db2.gz RSEJTJASWJETDC-NWDGAFQWSA-N 0 1 255.325 1.901 10 30 CDEEMN C=CC[C@@H](CO)N[C@@H](C)c1cc(C(=O)OC)co1 ZINC000278799759 330118223 /nfs/dbraw/zinc/11/82/23/330118223.db2.gz RBVWATHAYQSRKT-ONGXEEELSA-N 0 1 253.298 1.654 10 30 CDEEMN N#CC1(NC(=O)CN2CCC[C@]3(CCCOC3)C2)CCC1 ZINC000527127933 330224727 /nfs/dbraw/zinc/22/47/27/330224727.db2.gz BQQBQANFLCPQDE-HNNXBMFYSA-N 0 1 291.395 1.441 10 30 CDEEMN CC(C)[C@@](C)(C#N)NC(=O)CN1CCC[C@]2(CCOC2)C1 ZINC000451905494 331046959 /nfs/dbraw/zinc/04/69/59/331046959.db2.gz 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PHKIRUZCZLQBKA-RYUDHWBXSA-N 0 1 276.340 1.243 10 30 CDEEMN C=CCCCC(=O)N[C@H](C)CN(C)[C@@H]1CCN(CC)C1=O ZINC001268743870 1160013181 /nfs/dbraw/zinc/01/31/81/1160013181.db2.gz WVFRAHXIJBEQII-ZIAGYGMSSA-N 0 1 295.427 1.400 10 30 CDEEMN C=CCOCCCNC(=O)N1CCN([C@H](C)CC)CC1 ZINC000666515058 482748995 /nfs/dbraw/zinc/74/89/95/482748995.db2.gz PMWUMXPBVLFJRV-CQSZACIVSA-N 0 1 283.416 1.705 10 30 CDEEMN C=CCOCCCNC(=O)N1CCN([C@@H](C)CC)CC1 ZINC000666515057 482749384 /nfs/dbraw/zinc/74/93/84/482749384.db2.gz PMWUMXPBVLFJRV-AWEZNQCLSA-N 0 1 283.416 1.705 10 30 CDEEMN C=CCCCNC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000684139644 483216023 /nfs/dbraw/zinc/21/60/23/483216023.db2.gz LKWHXLUSEIHGGT-UONOGXRCSA-N 0 1 281.400 1.193 10 30 CDEEMN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000667369715 483253430 /nfs/dbraw/zinc/25/34/30/483253430.db2.gz CKFHUKUZBMADGN-CQSZACIVSA-N 0 1 286.335 1.972 10 30 CDEEMN C=CCOCCN1CC[C@@H]1CN(C)C(=O)C1(CC)CC1 ZINC001691661600 1161442297 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1183260405 /nfs/dbraw/zinc/26/04/05/1183260405.db2.gz KRKNDIJILWWSBK-LSDHHAIUSA-N 0 1 282.428 1.897 10 30 CDEEMN CC1(C)[C@H](O)C[C@H]1NCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000565170344 517516617 /nfs/dbraw/zinc/51/66/17/517516617.db2.gz KVBRJDHEEHKMPW-CHWSQXEVSA-N 0 1 275.308 1.715 10 30 CDEEMN CC[C@H]1CN(Cc2cc(C#N)cs2)CCN1C[C@@H](C)O ZINC000120758498 536152660 /nfs/dbraw/zinc/15/26/60/536152660.db2.gz SMEJMAXWAGOTCO-OCCSQVGLSA-N 0 1 293.436 1.897 10 30 CDEEMN CSC1(CNC(=O)NCC#CCN(C)C)CCC1 ZINC001686276792 1174704574 /nfs/dbraw/zinc/70/45/74/1174704574.db2.gz MNHKFIIWAIAZLU-UHFFFAOYSA-N 0 1 269.414 1.136 10 30 CDEEMN Cc1cc(NN=Cc2cnn3ccccc23)ncn1 ZINC000731935487 575072714 /nfs/dbraw/zinc/07/27/14/575072714.db2.gz BFYOHXUMZBYVRT-UHFFFAOYSA-N 0 1 252.281 1.879 10 30 CDEEMN C#CCNC(=O)C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000732212560 575083422 /nfs/dbraw/zinc/08/34/22/575083422.db2.gz PATHZJKUJYWPPC-CYBMUJFWSA-N 0 1 276.767 1.879 10 30 CDEEMN C#CCNC(=O)CN1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000732212560 575083424 /nfs/dbraw/zinc/08/34/24/575083424.db2.gz PATHZJKUJYWPPC-CYBMUJFWSA-N 0 1 276.767 1.879 10 30 CDEEMN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC[C@H]2C[C@H]21 ZINC000761087961 576545990 /nfs/dbraw/zinc/54/59/90/576545990.db2.gz PRGHMPJTWKREHA-FRRDWIJNSA-N 0 1 261.369 1.812 10 30 CDEEMN N#CCn1cc(NC(=O)[C@H]2CCCc3[nH]ncc32)cn1 ZINC000758156752 577075911 /nfs/dbraw/zinc/07/59/11/577075911.db2.gz ORNJEJIFLRSTNU-JTQLQIEISA-N 0 1 270.296 1.188 10 30 CDEEMN CCc1cc(C(=O)N2CCCC[C@H]2[C@@H](C)NCC#N)n[nH]1 ZINC001689896190 1175298165 /nfs/dbraw/zinc/29/81/65/1175298165.db2.gz IEBFQICUFSRBMM-RISCZKNCSA-N 0 1 289.383 1.468 10 30 CDEEMN C=C(C)CN1CCN(CCNC(=O)[C@H](C)C(C)C)CC1 ZINC001690079445 1175363935 /nfs/dbraw/zinc/36/39/35/1175363935.db2.gz GOTJGCIWSYKNJV-OAHLLOKOSA-N 0 1 281.444 1.588 10 30 CDEEMN C=C(C)CN1CC[C@@H](NC(=O)[C@@H](OC)C2CCC2)C1 ZINC001690099245 1175373760 /nfs/dbraw/zinc/37/37/60/1175373760.db2.gz NMTVBPLTMVEEKW-KGLIPLIRSA-N 0 1 266.385 1.568 10 30 CDEEMN C#CCN1CC[C@H](NC(=O)C[C@H]2CCCCO2)C(C)(C)C1 ZINC000940665756 613259530 /nfs/dbraw/zinc/25/95/30/613259530.db2.gz YTZXKEJQWFMJGE-CABCVRRESA-N 0 1 292.423 1.796 10 30 CDEEMN C#CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C(C)(C)C1 ZINC000941087661 613262537 /nfs/dbraw/zinc/26/25/37/613262537.db2.gz OMYRQHFUUISYAW-ZNMIVQPWSA-N 0 1 274.408 1.882 10 30 CDEEMN C#CCN1CC[C@H](NC(=O)[C@H](C)n2cccn2)C(C)(C)C1 ZINC000940587724 613263644 /nfs/dbraw/zinc/26/36/44/613263644.db2.gz BOCCCDTWDYSVKL-KBPBESRZSA-N 0 1 288.395 1.294 10 30 CDEEMN C=CCCN1CC(N2CCN(C(=O)C(C)(C)CC)CC2)C1 ZINC000941541200 613481623 /nfs/dbraw/zinc/48/16/23/613481623.db2.gz XAEVRMMWKVSYSS-UHFFFAOYSA-N 0 1 293.455 1.827 10 30 CDEEMN CC#CCN1CC[C@H](NC(=O)c2cnn(C)c2)C(C)(C)C1 ZINC000940562664 613605095 /nfs/dbraw/zinc/60/50/95/613605095.db2.gz GYRUCXDEHWOBJD-AWEZNQCLSA-N 0 1 288.395 1.274 10 30 CDEEMN C(ON=C1CCCN2CCSC[C@H]12)[C@@H]1CCOC1 ZINC000872368335 620705508 /nfs/dbraw/zinc/70/55/08/620705508.db2.gz TXTOTHKYBIFECZ-DGCLKSJQSA-N 0 1 270.398 1.607 10 30 CDEEMN Cc1cc2[nH]ncc2cc1S(=O)(=O)NC[C@@H](C)C#N ZINC000866894998 617815731 /nfs/dbraw/zinc/81/57/31/617815731.db2.gz NGOPCGSKVKRQKQ-QMMMGPOBSA-N 0 1 278.337 1.309 10 30 CDEEMN C#CCN1CCC(NC(=O)Nc2ccns2)CC1 ZINC000932019946 617886026 /nfs/dbraw/zinc/88/60/26/617886026.db2.gz HFYPHLVJSQWTII-UHFFFAOYSA-N 0 1 264.354 1.362 10 30 CDEEMN C#CCCCCNS(=O)(=O)c1occc1C(=O)OC ZINC000866954782 620772284 /nfs/dbraw/zinc/77/22/84/620772284.db2.gz LHZLMNXETLQTAW-UHFFFAOYSA-N 0 1 285.321 1.148 10 30 CDEEMN C=CC(C)(C)C(=O)N[C@@H]1CCCN2CCSC[C@H]12 ZINC000928080140 618467203 /nfs/dbraw/zinc/46/72/03/618467203.db2.gz KKEKREZGXYTEHT-VXGBXAGGSA-N 0 1 268.426 1.895 10 30 CDEEMN C=CCN(CCOC)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894548403 618959114 /nfs/dbraw/zinc/95/91/14/618959114.db2.gz PSPWQENFEYKPOE-UHFFFAOYSA-N 0 1 261.325 1.903 10 30 CDEEMN CSCc1n[nH]c(CNC(=O)C2(C#N)CCCC2)n1 ZINC000894610987 618989018 /nfs/dbraw/zinc/98/90/18/618989018.db2.gz KCMDOGYZMVFWIH-UHFFFAOYSA-N 0 1 279.369 1.368 10 30 CDEEMN CSCc1nnc(CNC(=O)C2(C#N)CCCC2)[nH]1 ZINC000894610987 618989021 /nfs/dbraw/zinc/98/90/21/618989021.db2.gz KCMDOGYZMVFWIH-UHFFFAOYSA-N 0 1 279.369 1.368 10 30 CDEEMN Cc1nc([C@@H](C)NCc2cccc(F)c2C#N)n[nH]1 ZINC000894772760 619048316 /nfs/dbraw/zinc/04/83/16/619048316.db2.gz BFHGVHJJZMQJCE-MRVPVSSYSA-N 0 1 259.288 1.975 10 30 CDEEMN C#C[C@@H]1COCCN1Cc1ncc(Br)cc1O ZINC000894865408 619108576 /nfs/dbraw/zinc/10/85/76/619108576.db2.gz IQVUPECTHRPKFE-SNVBAGLBSA-N 0 1 297.152 1.384 10 30 CDEEMN C#C[C@H]1CCCCN1C(=O)NCc1n[nH]c(C(C)C)n1 ZINC000895115989 619304596 /nfs/dbraw/zinc/30/45/96/619304596.db2.gz QFWOIAWYQHGOAH-NSHDSACASA-N 0 1 275.356 1.625 10 30 CDEEMN COC(=O)N1CCC[C@@H](N[C@@H](C)c2cc(C#N)ccn2)C1 ZINC000902785678 625340236 /nfs/dbraw/zinc/34/02/36/625340236.db2.gz HSWDWUKCJZXVEF-WCQYABFASA-N 0 1 288.351 1.835 10 30 CDEEMN C#CC[N@H+]1CCC[C@@H](Nc2nccc3nc[nH]c32)C1 ZINC000895203283 619451740 /nfs/dbraw/zinc/45/17/40/619451740.db2.gz WFLMZBQBRPFUGS-LLVKDONJSA-N 0 1 255.325 1.467 10 30 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1174560216 /nfs/dbraw/zinc/56/02/16/1174560216.db2.gz MPRLCBPALILNEU-ZDUSSCGKSA-N 0 1 251.374 1.595 10 30 CDEEMN C=C(C)CCN1CCN(C(=O)[C@H]2CC2(F)F)CC1 ZINC001681657837 1174590238 /nfs/dbraw/zinc/59/02/38/1174590238.db2.gz UBMXUROLYNYROL-LLVKDONJSA-N 0 1 258.312 1.752 10 30 CDEEMN C#CCN1CCC2(CN(C(=O)c3cc(CCC)n[nH]3)C2)C1 ZINC001685856025 1174691029 /nfs/dbraw/zinc/69/10/29/1174691029.db2.gz DAOYNIYASVUYRQ-UHFFFAOYSA-N 0 1 286.379 1.143 10 30 CDEEMN C#CCN1CCC2(CN(C(=O)[C@H]3CCCC3(C)C)C2)C1 ZINC001686269060 1174704498 /nfs/dbraw/zinc/70/44/98/1174704498.db2.gz SQYFHOPILIXCIJ-CQSZACIVSA-N 0 1 274.408 1.980 10 30 CDEEMN CC#CCN1CCC(N(C)C(=O)C[C@@](C)(O)C2CC2)CC1 ZINC001690020669 1175348368 /nfs/dbraw/zinc/34/83/68/1175348368.db2.gz RSPMHNAKITVHDS-QGZVFWFLSA-N 0 1 292.423 1.484 10 30 CDEEMN C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCCCN1CC#CC ZINC001690445677 1175474453 /nfs/dbraw/zinc/47/44/53/1175474453.db2.gz BEZJKCLBTCCGOM-GOEBONIOSA-N 0 1 278.396 1.308 10 30 CDEEMN 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C#CCN1CC[C@@](C)(NC(=O)[C@@H](C)C(C)(F)F)C1 ZINC001699820743 1176642008 /nfs/dbraw/zinc/64/20/08/1176642008.db2.gz GVZWTXDLSYSWCK-ZYHUDNBSSA-N 0 1 258.312 1.492 10 30 CDEEMN C#CCN1CC[C@](O)(CNC(=O)C2(CCCC)CC2)C1 ZINC001699901207 1176675340 /nfs/dbraw/zinc/67/53/40/1176675340.db2.gz MAOQAAVCLZVOMD-INIZCTEOSA-N 0 1 278.396 1.143 10 30 CDEEMN C#CCN1CC[C@@H](NC(=O)CCc2cccnc2)C(C)(C)C1 ZINC001700290003 1176833774 /nfs/dbraw/zinc/83/37/74/1176833774.db2.gz DYUKMKYVDSFZPU-MRXNPFEDSA-N 0 1 299.418 1.864 10 30 CDEEMN COCC#CCN(C)[C@H](C)CNC(=O)C[C@@H]1CCCCO1 ZINC001700457307 1176945956 /nfs/dbraw/zinc/94/59/56/1176945956.db2.gz PJQNTILGYVGXBD-CABCVRRESA-N 0 1 296.411 1.032 10 30 CDEEMN C#CCN(C)[C@@H](C)CNC(=O)CC(C)(C)C1CC1 ZINC001700459190 1176950000 /nfs/dbraw/zinc/95/00/00/1176950000.db2.gz CWBAXSKNUXTYNO-LBPRGKRZSA-N 0 1 250.386 1.882 10 30 CDEEMN C#CCN1CCCCC[C@@H]1CNC(=O)[C@@H](C)SC ZINC001700524208 1176994500 /nfs/dbraw/zinc/99/45/00/1176994500.db2.gz VZDBVOUOKKRTBA-CHWSQXEVSA-N 0 1 268.426 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KCJQEQRGCGQKDP-ZIAGYGMSSA-N 0 1 293.411 1.154 10 30 CDEEMN C=CCCC(=O)N1CC[C@@H]1CNC(=O)[C@H]1CCCCN1C ZINC001705224394 1177858071 /nfs/dbraw/zinc/85/80/71/1177858071.db2.gz KCJQEQRGCGQKDP-ZIAGYGMSSA-N 0 1 293.411 1.154 10 30 CDEEMN C=CCCCC(=O)NCC1(NC(=O)Cc2cnc[nH]2)CC1 ZINC001705290413 1177874450 /nfs/dbraw/zinc/87/44/50/1177874450.db2.gz ITSBOEWEZNKYRZ-UHFFFAOYSA-N 0 1 290.367 1.074 10 30 CDEEMN C=CCN1CC[C@@H]1CN(C)C(=O)C[C@H](C)n1ccc(C)n1 ZINC001707049508 1177926148 /nfs/dbraw/zinc/92/61/48/1177926148.db2.gz XWAGUQWJKKLAQT-LSDHHAIUSA-N 0 1 290.411 1.861 10 30 CDEEMN C#CCN(C)C[C@@H]1CCCCN1C(=O)Cc1cscn1 ZINC001707277912 1177989276 /nfs/dbraw/zinc/98/92/76/1177989276.db2.gz FBCSLXNNJIQRGZ-AWEZNQCLSA-N 0 1 291.420 1.632 10 30 CDEEMN COCCCCN1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC001713140087 1178390897 /nfs/dbraw/zinc/39/08/97/1178390897.db2.gz OZBKGRCLNAUJCB-IYBDPMFKSA-N 0 1 290.407 1.502 10 30 CDEEMN C=CC(C)(C)C(=O)N[C@H]1C[C@@H](N[C@H](C)c2nnc(C)[nH]2)C1 ZINC001713198176 1178426521 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/nfs/dbraw/zinc/60/70/82/1178607082.db2.gz UVLHSFGJMZMETG-UHFFFAOYSA-N 0 1 269.348 1.853 10 30 CDEEMN CC#CCN(CC)CCNC(=O)c1cccc(N(C)C)c1 ZINC001713495583 1178607595 /nfs/dbraw/zinc/60/75/95/1178607595.db2.gz OJPFIQKMZXKAEH-UHFFFAOYSA-N 0 1 287.407 1.828 10 30 CDEEMN CC#CCN(CCNC(=O)[C@@H]1CCO[C@H](CC)C1)C1CC1 ZINC001713564317 1178648737 /nfs/dbraw/zinc/64/87/37/1178648737.db2.gz SJQQGZXKTJAIKP-GDBMZVCRSA-N 0 1 292.423 1.796 10 30 CDEEMN CC/C=C(\C)C(=O)N(C)C1CCN(CC#CCOC)CC1 ZINC001713777057 1178747904 /nfs/dbraw/zinc/74/79/04/1178747904.db2.gz BYWXTDMUWLCEPB-OVCLIPMQSA-N 0 1 292.423 1.915 10 30 CDEEMN C#CCCN1CCC[C@H](NC(=O)[C@H](OC)C2CCCC2)C1 ZINC001713793360 1178756685 /nfs/dbraw/zinc/75/66/85/1178756685.db2.gz BTXGRADJZUQMGM-JKSUJKDBSA-N 0 1 292.423 1.796 10 30 CDEEMN C#CCN1CCN(CCCNC(=O)[C@]2(C)C=CCC2)CC1 ZINC001713800492 1178760276 /nfs/dbraw/zinc/76/02/76/1178760276.db2.gz VOMCXWOOPIKUQL-QGZVFWFLSA-N 0 1 289.423 1.100 10 30 CDEEMN C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](OCC)C(C)C 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C=C[C@H](CC)CC(=O)N1CC[C@H](CNCc2cnon2)C1 ZINC001714360573 1179104915 /nfs/dbraw/zinc/10/49/15/1179104915.db2.gz TWVQWOJBDLDZPU-CHWSQXEVSA-N 0 1 292.383 1.610 10 30 CDEEMN CC(C)C#CC(=O)NC[C@H](C)CNCc1ccon1 ZINC001714388933 1179118935 /nfs/dbraw/zinc/11/89/35/1179118935.db2.gz NTHWLUFWJSURLI-GFCCVEGCSA-N 0 1 263.341 1.176 10 30 CDEEMN C=CCCCCCN1CCO[C@@H](CNC(=O)CC)C1 ZINC001714461064 1179152839 /nfs/dbraw/zinc/15/28/39/1179152839.db2.gz CFAFLVHLHVGCKR-AWEZNQCLSA-N 0 1 268.401 1.960 10 30 CDEEMN C=CCC[C@H](C)N1CCO[C@H](CNC(=O)c2cn[nH]c2)C1 ZINC001714460666 1179152854 /nfs/dbraw/zinc/15/28/54/1179152854.db2.gz BCMCFKSOXYTOGS-GXTWGEPZSA-N 0 1 292.383 1.195 10 30 CDEEMN C=CCCCN1CCO[C@@H](CNC(=O)Cc2ccon2)C1 ZINC001714464344 1179153753 /nfs/dbraw/zinc/15/37/53/1179153753.db2.gz JIDRLFQVXNKTHE-AWEZNQCLSA-N 0 1 293.367 1.000 10 30 CDEEMN CC#CCN(C)CCNC(=O)c1ccnn1[C@@H](C)CC ZINC001714546097 1179201653 /nfs/dbraw/zinc/20/16/53/1179201653.db2.gz UBSRWIPIJCYTOB-ZDUSSCGKSA-N 0 1 276.384 1.539 10 30 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1.400 10 30 CDEEMN C#CCN1CCC[C@H]1CNC(=O)C[C@@H]1CC=CCC1 ZINC001731833515 1182616845 /nfs/dbraw/zinc/61/68/45/1182616845.db2.gz PEEVIBLGBLZTGV-CABCVRRESA-N 0 1 260.381 1.947 10 30 CDEEMN CC#CCN(CCNC(=O)[C@H](C)[C@H](C)COC)C1CC1 ZINC001731876345 1182645966 /nfs/dbraw/zinc/64/59/66/1182645966.db2.gz JBNMSNOTTFJFGP-ZIAGYGMSSA-N 0 1 280.412 1.509 10 30 CDEEMN C#CCN(CCNC(=O)[C@H]1Cc2ccccc21)C1CC1 ZINC001731880527 1182648357 /nfs/dbraw/zinc/64/83/57/1182648357.db2.gz ROMISYFAGSRLGD-INIZCTEOSA-N 0 1 268.360 1.540 10 30 CDEEMN C#CCN(CCNC(=O)c1cc(CCC)n[nH]1)C1CC1 ZINC001731881677 1182649899 /nfs/dbraw/zinc/64/98/99/1182649899.db2.gz UHUOAOUDYWZPGR-UHFFFAOYSA-N 0 1 274.368 1.190 10 30 CDEEMN C#CCN(CCNC(=O)Cc1n[nH]c2ccccc21)C1CC1 ZINC001731884052 1182652476 /nfs/dbraw/zinc/65/24/76/1182652476.db2.gz QSPFNLGYVIMQQB-UHFFFAOYSA-N 0 1 296.374 1.319 10 30 CDEEMN CCCC(=O)N(C)CCNCc1cc(C#N)ccc1OC ZINC001731887141 1182653606 /nfs/dbraw/zinc/65/36/06/1182653606.db2.gz HNVUXYSEYNDDBE-UHFFFAOYSA-N 0 1 289.379 1.915 10 30 CDEEMN C=C(Cl)CNCCN(C)C(=O)C1CCC(O)CC1 ZINC001731905135 1182671014 /nfs/dbraw/zinc/67/10/14/1182671014.db2.gz BMWHTUBUIFIYSZ-UHFFFAOYSA-N 0 1 274.792 1.338 10 30 CDEEMN CN(CCNCc1ccc(C#N)cc1F)C(=O)C#CC1CC1 ZINC001731909030 1182674053 /nfs/dbraw/zinc/67/40/53/1182674053.db2.gz ZARAGYIKRHMYFV-UHFFFAOYSA-N 0 1 299.349 1.659 10 30 CDEEMN C=C(Cl)CNCCN(C)C(=O)c1cc(OC)ns1 ZINC001731911133 1182675178 /nfs/dbraw/zinc/67/51/78/1182675178.db2.gz NJSJCOSFYJPYJY-UHFFFAOYSA-N 0 1 289.788 1.566 10 30 CDEEMN C#CCN[C@@H](CNC(=O)c1cscn1)c1ccccc1 ZINC001732018430 1182728118 /nfs/dbraw/zinc/72/81/18/1182728118.db2.gz JGSARPLHZHUFKM-ZDUSSCGKSA-N 0 1 285.372 1.837 10 30 CDEEMN CC#CCN[C@@H](CNC(=O)c1cnco1)c1ccccc1 ZINC001732022736 1182728788 /nfs/dbraw/zinc/72/87/88/1182728788.db2.gz OWAICINXWGMPFG-AWEZNQCLSA-N 0 1 283.331 1.759 10 30 CDEEMN C=C[C@@](C)(CC)C(=O)N1CC[C@@H](CN(C)CC(=O)NC)C1 ZINC001732079578 1182754973 /nfs/dbraw/zinc/75/49/73/1182754973.db2.gz FQMPDZASBNVGKS-BBRMVZONSA-N 0 1 295.427 1.115 10 30 CDEEMN C=C[C@@](C)(O)CC(=O)NC1CN(C[C@@H](C)CC(C)C)C1 ZINC001732099922 1182769181 /nfs/dbraw/zinc/76/91/81/1182769181.db2.gz LJTZHULSRQIIPA-XJKSGUPXSA-N 0 1 282.428 1.796 10 30 CDEEMN C=CCOCCN1CC(CNC(=O)[C@H]2CCO[C@H](C)C2)C1 ZINC001732136130 1182793223 /nfs/dbraw/zinc/79/32/23/1182793223.db2.gz LUVUYOAEBQLKLN-HIFRSBDPSA-N 0 1 296.411 1.052 10 30 CDEEMN C#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2[C@H](C)COC ZINC001732143389 1182799383 /nfs/dbraw/zinc/79/93/83/1182799383.db2.gz RKVPFSRCSTYKGS-RDBSUJKOSA-N 0 1 264.369 1.110 10 30 CDEEMN C=CCN1CC[C@H](N(C)C(=O)[C@H](C)NC(=O)C(C)(C)C)C1 ZINC001732168887 1182828259 /nfs/dbraw/zinc/82/82/59/1182828259.db2.gz LNSWXIKWKAIYOS-STQMWFEESA-N 0 1 295.427 1.256 10 30 CDEEMN CC(C)C#CC(=O)N[C@@H](CNCc1cnns1)C1CC1 ZINC001733169097 1183313891 /nfs/dbraw/zinc/31/38/91/1183313891.db2.gz AHVDPYSLEKWNQW-ZDUSSCGKSA-N 0 1 292.408 1.182 10 30 CDEEMN C=C(C)CN1CC[C@H]1CNC(=O)/C=C/c1ccc[nH]1 ZINC001733215545 1183344130 /nfs/dbraw/zinc/34/41/30/1183344130.db2.gz LEXWZAIKTHMLBL-GJBLVYBDSA-N 0 1 259.353 1.795 10 30 CDEEMN C=CCC(C)(C)C(=O)N(C)C1CN(Cc2n[nH]c(C)n2)C1 ZINC001733314080 1183393438 /nfs/dbraw/zinc/39/34/38/1183393438.db2.gz ZWVNEFHPOLEGAS-UHFFFAOYSA-N 0 1 291.399 1.358 10 30 CDEEMN CC#CC[NH2+][C@@H]1CCN(C(=O)c2ncccc2[O-])[C@@H](C)C1 ZINC001733325023 1183397130 /nfs/dbraw/zinc/39/71/30/1183397130.db2.gz ZXFXTZABUSZMPD-QWHCGFSZSA-N 0 1 287.363 1.393 10 30 CDEEMN C#CCN1CC[C@](C)(NC(=O)[C@H](OCC)C2CC2)C1 ZINC001733401489 1183420637 /nfs/dbraw/zinc/42/06/37/1183420637.db2.gz FPMCODMTZFRJPQ-HIFRSBDPSA-N 0 1 264.369 1.015 10 30 CDEEMN C#CCN1CC[C@](C)(NC(=O)CC[C@H]2CCCCO2)C1 ZINC001733410242 1183424011 /nfs/dbraw/zinc/42/40/11/1183424011.db2.gz DZMUJBYYVIYKFM-ZBFHGGJFSA-N 0 1 278.396 1.550 10 30 CDEEMN C#CCN1CCC[C@@](C)(CNC(=O)c2cc(CC)n[nH]2)C1 ZINC001733455010 1183437300 /nfs/dbraw/zinc/43/73/00/1183437300.db2.gz ADFKENJBXWFCRX-INIZCTEOSA-N 0 1 288.395 1.437 10 30 CDEEMN C#CCN1CC[C@@](O)(CNC(=O)c2ccc(C(F)F)o2)C1 ZINC001733488805 1183447256 /nfs/dbraw/zinc/44/72/56/1183447256.db2.gz ASAIFVSZFWSVAL-CQSZACIVSA-N 0 1 298.289 1.017 10 30 CDEEMN C=CCN1CCC(CO)(NC(=O)C(C)=C2CCC2)CC1 ZINC001733913580 1183565658 /nfs/dbraw/zinc/56/56/58/1183565658.db2.gz SXRBDVKFIFQGCW-UHFFFAOYSA-N 0 1 278.396 1.616 10 30 CDEEMN C=CCN1CCC(CO)(NC(=O)[C@@H]2CCCC[C@@H]2C)CC1 ZINC001733915002 1183565698 /nfs/dbraw/zinc/56/56/98/1183565698.db2.gz SCEVFCDPJNZZQE-LSDHHAIUSA-N 0 1 294.439 1.942 10 30 CDEEMN C=CCN1CCC(CO)(NC(=O)/C=C\C(C)(C)C)CC1 ZINC001733911976 1183566285 /nfs/dbraw/zinc/56/62/85/1183566285.db2.gz CSFKFESNCOEHDI-SREVYHEPSA-N 0 1 280.412 1.718 10 30 CDEEMN C=CCCO[C@H](C)C(=O)N1CCC[C@@H]1CN(C)CC#CC ZINC001733925067 1183569365 /nfs/dbraw/zinc/56/93/65/1183569365.db2.gz KJUYXHCCOLKKRJ-HZPDHXFCSA-N 0 1 292.423 1.914 10 30 CDEEMN C#CCN(C)C[C@H]1CCCN1C(=O)c1coc(C)c1 ZINC001733929097 1183572137 /nfs/dbraw/zinc/57/21/37/1183572137.db2.gz OOFLJNHCNXHZMW-CQSZACIVSA-N 0 1 260.337 1.758 10 30 CDEEMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1CN(C)CC#N ZINC001733938765 1183577121 /nfs/dbraw/zinc/57/71/21/1183577121.db2.gz XUNVFCTWATZJNF-OCCSQVGLSA-N 0 1 289.383 1.035 10 30 CDEEMN CCCc1cc(C(=O)N(C)CC(C)(C)CNCC#N)n[nH]1 ZINC001734019019 1183615447 /nfs/dbraw/zinc/61/54/47/1183615447.db2.gz UBMZQVATQRWTFK-UHFFFAOYSA-N 0 1 291.399 1.574 10 30 CDEEMN CC#CCN(C)[C@H](C)CNC(=O)C1(c2ccccn2)CC1 ZINC001734033585 1183626089 /nfs/dbraw/zinc/62/60/89/1183626089.db2.gz FUFQZMCYGVIEML-CQSZACIVSA-N 0 1 285.391 1.573 10 30 CDEEMN CC#CCN(C)[C@@H](C)CNC(=O)COc1cccc(C)c1 ZINC001734061805 1183642290 /nfs/dbraw/zinc/64/22/90/1183642290.db2.gz BKHKOGZUMIWQIB-HNNXBMFYSA-N 0 1 288.391 1.834 10 30 CDEEMN C#CCN(C)[C@H](C)CNC(=O)CCc1nc2ccccc2o1 ZINC001734063197 1183644129 /nfs/dbraw/zinc/64/41/29/1183644129.db2.gz QYJBGFZAZMCGNC-CYBMUJFWSA-N 0 1 299.374 1.830 10 30 CDEEMN C=C(C)CCC(=O)NC[C@@H](CO)NC/C=C\Cl ZINC001734367770 1183750559 /nfs/dbraw/zinc/75/05/59/1183750559.db2.gz DWFXKHSNKZJNBW-UUSYTGMJSA-N 0 1 260.765 1.162 10 30 CDEEMN C#CCN[C@@H](CO)CNC(=O)c1cccc2ccccc21 ZINC001734383877 1183755248 /nfs/dbraw/zinc/75/52/48/1183755248.db2.gz SMOLLBCSUHUOIU-CQSZACIVSA-N 0 1 282.343 1.153 10 30 CDEEMN C=CCCCC(=O)N1C[C@@H](NCc2ccn(C)n2)C[C@H]1C ZINC001734421444 1183773563 /nfs/dbraw/zinc/77/35/63/1183773563.db2.gz GNHSLVLMXXJBDO-HIFRSBDPSA-N 0 1 290.411 1.855 10 30 CDEEMN C#CCN[C@H]1CN(C(=O)COCC)CC[C@H]1C(F)(F)F ZINC001734588126 1183836111 /nfs/dbraw/zinc/83/61/11/1183836111.db2.gz VHRTYNRYLJMXSR-MNOVXSKESA-N 0 1 292.301 1.025 10 30 CDEEMN C=C[C@H](CC)CC(=O)NC[C@@H](C)NC(=O)[C@H]1CCCN1C ZINC001738576886 1184331878 /nfs/dbraw/zinc/33/18/78/1184331878.db2.gz XQVHIBQZKQXKOP-MGPQQGTHSA-N 0 1 295.427 1.304 10 30 CDEEMN CC#CCN(C)C[C@@H]1CCCCN1C(=O)C[C@@H]1CCOC1 ZINC001750934650 1184784158 /nfs/dbraw/zinc/78/41/58/1184784158.db2.gz FAVWAZUEVSKNKW-HOTGVXAUSA-N 0 1 292.423 1.749 10 30 CDEEMN CC#CCN(CCNC(=O)CCC(F)F)C1CC1 ZINC001317553864 957547904 /nfs/dbraw/zinc/54/79/04/957547904.db2.gz CWHMZTKGIHVWCI-UHFFFAOYSA-N 0 1 258.312 1.636 10 30 CDEEMN C=CCN(C)CCN(CC)C(=O)[C@H]1CCC(=O)C1 ZINC001556466794 965043488 /nfs/dbraw/zinc/04/34/88/965043488.db2.gz NAJXLIICILNMKH-LBPRGKRZSA-N 0 1 252.358 1.322 10 30 CDEEMN C=CCN(C(=O)CCc1nc[nH]n1)c1ccccc1 ZINC001625604862 1165916872 /nfs/dbraw/zinc/91/68/72/1165916872.db2.gz AZQHAUCUVZQIEH-UHFFFAOYSA-N 0 1 256.309 1.957 10 30 CDEEMN C#C[C@@H](C)NCc1cc(C(=O)OC(C)(C)C)nn1C ZINC000877514247 1166051341 /nfs/dbraw/zinc/05/13/41/1166051341.db2.gz LCRDDHACCJPVGS-SNVBAGLBSA-N 0 1 263.341 1.487 10 30 CDEEMN C=CC[C@H](NC(=O)CCN1CC[C@H](F)C1)C(=O)OCC ZINC001633798052 1166450026 /nfs/dbraw/zinc/45/00/26/1166450026.db2.gz YGYPUXVVSFRSPH-RYUDHWBXSA-N 0 1 286.347 1.044 10 30 CDEEMN C#Cc1ccc(CN[C@@H]2CC[C@H](C)S(=O)(=O)C2)cc1 ZINC000850371346 821370222 /nfs/dbraw/zinc/37/02/22/821370222.db2.gz WOVWVGGTUFYJRM-SWLSCSKDSA-N 0 1 277.389 1.723 10 30 CDEEMN C#C[C@H]1COCCN1C(=O)c1ccc(Cl)c(O)c1 ZINC001637715519 1166781321 /nfs/dbraw/zinc/78/13/21/1166781321.db2.gz USRJSSGUFOTYFG-JTQLQIEISA-N 0 1 265.696 1.520 10 30 CDEEMN CC#CCN1CC[C@H](C(=O)OC)C[C@H]1[C@@H]1CCCO1 ZINC000933181015 818057432 /nfs/dbraw/zinc/05/74/32/818057432.db2.gz OWXAWZIHOIRMNC-IHRRRGAJSA-N 0 1 265.353 1.442 10 30 CDEEMN COc1ncc(C(=O)NCC#CCN(C)C)cc1Cl ZINC000913522478 818127694 /nfs/dbraw/zinc/12/76/94/818127694.db2.gz LEKGRAOUTXTUFA-UHFFFAOYSA-N 0 1 281.743 1.038 10 30 CDEEMN C#C[C@@H]([NH2+]Cc1ccnn1-c1ccncc1)C1CCOCC1 ZINC000827555417 818155015 /nfs/dbraw/zinc/15/50/15/818155015.db2.gz TVHUALZJXTUWQL-QGZVFWFLSA-N 0 1 296.374 1.785 10 30 CDEEMN CC[C@@H](N[NH+]=C1CC(C)(C)Oc2ccc(N)cc21)C(=O)[O-] ZINC000814936936 818233842 /nfs/dbraw/zinc/23/38/42/818233842.db2.gz OMGUVWHLQXAPDL-LLVKDONJSA-N 0 1 291.351 1.987 10 30 CDEEMN C=C(C)CCNC(=O)N[C@H]1CCCN2CCSC[C@H]12 ZINC000922705001 818316000 /nfs/dbraw/zinc/31/60/00/818316000.db2.gz FNNBISZJDUPQSY-QWHCGFSZSA-N 0 1 283.441 1.832 10 30 CDEEMN C#CCN1CCC(NC(=O)/C=C2/CC[C@H](C)C2)CC1 ZINC000928656485 818320253 /nfs/dbraw/zinc/32/02/53/818320253.db2.gz WLNLKONXOUJIPE-BSHRGCEOSA-N 0 1 260.381 1.947 10 30 CDEEMN C=CCN1CCC(N2C(=O)N[C@H](CC(=C)Cl)C2=O)CC1 ZINC000865301709 818356908 /nfs/dbraw/zinc/35/69/08/818356908.db2.gz LFQQDMPNOYZHDT-GFCCVEGCSA-N 0 1 297.786 1.700 10 30 CDEEMN C[C@H](C#N)Oc1ccc(CNCc2c[nH]nn2)cc1 ZINC000858197382 818402224 /nfs/dbraw/zinc/40/22/24/818402224.db2.gz CHDSMVVXCOIHMS-SNVBAGLBSA-N 0 1 257.297 1.385 10 30 CDEEMN CN(CCON=C(N)c1ccn(C)n1)Cc1ccccc1 ZINC000871772350 818446070 /nfs/dbraw/zinc/44/60/70/818446070.db2.gz RBRVSCLKTUCCOK-UHFFFAOYSA-N 0 1 287.367 1.189 10 30 CDEEMN C#CCN(Cc1ccccc1)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000930475345 818492794 /nfs/dbraw/zinc/49/27/94/818492794.db2.gz DFWMXCAPAJHQEJ-IKGGRYGDSA-N 0 1 271.360 1.926 10 30 CDEEMN C#CCN(CCC(=O)NC1CCCC1)C1CSC1 ZINC000878914032 818569487 /nfs/dbraw/zinc/56/94/87/818569487.db2.gz KHCJKIOUMOFCNN-UHFFFAOYSA-N 0 1 266.410 1.486 10 30 CDEEMN C#CCN(C)C[C@@](O)(CCCCCC)C(=O)OC 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/nfs/dbraw/zinc/06/50/89/1168065089.db2.gz YHKNUDWRLBEQQV-SNVBAGLBSA-N 0 1 287.201 1.743 10 30 CDEEMN C#CCCCC(=O)N1CCC[C@@H](N(CC#CC)CCO)C1 ZINC001566033121 1168219611 /nfs/dbraw/zinc/21/96/11/1168219611.db2.gz OIXOSRHMZMDWBW-MRXNPFEDSA-N 0 1 290.407 1.099 10 30 CDEEMN Cn1c(C#N)ccc1C(=O)OCc1nc[nH]c1C(F)(F)F ZINC001646883284 1168223331 /nfs/dbraw/zinc/22/33/31/1168223331.db2.gz CBGCVCDBGNXYNA-UHFFFAOYSA-N 0 1 298.224 1.996 10 30 CDEEMN C=C(C)CCC(=O)NCCCN(C)[C@H]1CCN(C)C1=O ZINC001566458110 1168284941 /nfs/dbraw/zinc/28/49/41/1168284941.db2.gz KSIITRFEZLIRJS-ZDUSSCGKSA-N 0 1 281.400 1.012 10 30 CDEEMN C=C(C)CN1CCN(CCNC(=O)C2(CC)CCC2)CC1 ZINC001566651216 1168367177 /nfs/dbraw/zinc/36/71/77/1168367177.db2.gz KVNHYIOGOZXXEE-UHFFFAOYSA-N 0 1 293.455 1.877 10 30 CDEEMN Cc1oncc1CN[C@@H](CNC(=O)C#CC1CC1)C1CC1 ZINC001566708384 1168395258 /nfs/dbraw/zinc/39/52/58/1168395258.db2.gz HUZPWQQUGYXGAP-HNNXBMFYSA-N 0 1 287.363 1.381 10 30 CDEEMN C=CCN1CCCC[C@H]1CNC(=O)C1(C)CCOCC1 ZINC001566927780 1168471683 /nfs/dbraw/zinc/47/16/83/1168471683.db2.gz WQEFLCPKPFLSTK-AWEZNQCLSA-N 0 1 280.412 1.960 10 30 CDEEMN C#CCCN1CC[C@H]1CNC(=O)CCc1ccsc1 ZINC001483656038 912337634 /nfs/dbraw/zinc/33/76/34/912337634.db2.gz VWMMLBGLTZRALB-AWEZNQCLSA-N 0 1 276.405 1.895 10 30 CDEEMN C[C@H]1CC(NC(=O)c2ccc([N+](=O)[O-])cc2N)=NO1 ZINC001567210351 1168621316 /nfs/dbraw/zinc/62/13/16/1168621316.db2.gz IRROEVBORDSVIR-LURJTMIESA-N 0 1 264.241 1.029 10 30 CDEEMN COCC#CCN(C)CCNC(=O)C(C)(C)C1CCC1 ZINC001567295622 1168664355 /nfs/dbraw/zinc/66/43/55/1168664355.db2.gz QPCHQIDBEPLPJD-UHFFFAOYSA-N 0 1 280.412 1.511 10 30 CDEEMN C#CCN(CC)CCNC(=O)c1cccc(C)c1F ZINC001567333310 1168685734 /nfs/dbraw/zinc/68/57/34/1168685734.db2.gz QPXAOIXODYSRQE-UHFFFAOYSA-N 0 1 262.328 1.819 10 30 CDEEMN CC#CCN(CC)CCNC(=O)c1cccc(OC)c1F ZINC001567348807 1168695863 /nfs/dbraw/zinc/69/58/63/1168695863.db2.gz CULMGWHUZWEJJA-UHFFFAOYSA-N 0 1 292.354 1.909 10 30 CDEEMN C#CCN1CCC[C@H]1CNC(=O)CCc1ccncc1 ZINC001567370080 1168714808 /nfs/dbraw/zinc/71/48/08/1168714808.db2.gz LDNPGVJFKNXRJR-HNNXBMFYSA-N 0 1 271.364 1.228 10 30 CDEEMN C=CCCC(=O)NC[C@H]1CCN(Cc2n[nH]c(C)n2)C1 ZINC001567395442 1168727367 /nfs/dbraw/zinc/72/73/67/1168727367.db2.gz JSJUGLRMAPVFGQ-GFCCVEGCSA-N 0 1 277.372 1.017 10 30 CDEEMN COCC#CCN(CCNC(=O)C[C@H]1C=CCC1)C1CC1 ZINC001567437125 1168759886 /nfs/dbraw/zinc/75/98/86/1168759886.db2.gz RTIAAIUVPUYYSH-HNNXBMFYSA-N 0 1 290.407 1.573 10 30 CDEEMN C#CCN(CCNC(=O)Cc1ccc(C)s1)C1CC1 ZINC001567456115 1168776023 /nfs/dbraw/zinc/77/60/23/1168776023.db2.gz PHWRDIXOGAYCOI-UHFFFAOYSA-N 0 1 276.405 1.813 10 30 CDEEMN C#CCN(C)CCNC(=O)c1ccc(C(C)C)cn1 ZINC001266327042 894401132 /nfs/dbraw/zinc/40/11/32/894401132.db2.gz VQKKPYRCDPVAJP-UHFFFAOYSA-N 0 1 259.353 1.500 10 30 CDEEMN CC#CC[N@@H+](C)CCNC(=O)c1ccoc1Br ZINC001266343979 894472203 /nfs/dbraw/zinc/47/22/03/894472203.db2.gz DCKGGTQBUUZQBN-UHFFFAOYSA-N 0 1 299.168 1.727 10 30 CDEEMN CC#CCN(C)CCNC(=O)c1ccoc1Br ZINC001266343979 894472206 /nfs/dbraw/zinc/47/22/06/894472206.db2.gz DCKGGTQBUUZQBN-UHFFFAOYSA-N 0 1 299.168 1.727 10 30 CDEEMN CC#CCN(C)CCNC(=O)Cc1ccc2c(c1)CCC2 ZINC001266358656 894552274 /nfs/dbraw/zinc/55/22/74/894552274.db2.gz WPHGDVBFWJSYRI-UHFFFAOYSA-N 0 1 284.403 1.789 10 30 CDEEMN C#CCN(CC)CCNC(=O)c1coc(C2CC2)n1 ZINC001266420751 894788478 /nfs/dbraw/zinc/78/84/78/894788478.db2.gz NAVKDCUPTIWAQM-UHFFFAOYSA-N 0 1 261.325 1.237 10 30 CDEEMN CC#CCN(CC)CCNC(=O)CCn1cccc1 ZINC001266425344 894806644 /nfs/dbraw/zinc/80/66/44/894806644.db2.gz LBXLTELVWDUYAQ-UHFFFAOYSA-N 0 1 261.369 1.340 10 30 CDEEMN CC/C=C(/C)C(=O)NC[C@H]1CCCN1CC#CCOC ZINC001266450665 894939961 /nfs/dbraw/zinc/93/99/61/894939961.db2.gz SFWXAHGUAPVXEG-CKNOQMABSA-N 0 1 278.396 1.573 10 30 CDEEMN COCC#CCN1CCC[C@H]1CNC(=O)CC(C)=C(C)C ZINC001266477882 895023815 /nfs/dbraw/zinc/02/38/15/895023815.db2.gz WXVDYXGMNWPQDE-INIZCTEOSA-N 0 1 292.423 1.963 10 30 CDEEMN C=CCCC(=O)N[C@H]1C[C@H](NCc2cc(OC)no2)C1 ZINC001266580994 895447122 /nfs/dbraw/zinc/44/71/22/895447122.db2.gz NMLPWQPCHDLYBK-XYPYZODXSA-N 0 1 279.340 1.386 10 30 CDEEMN COCC(=O)N(C)CCNCC#Cc1ccccc1Cl ZINC001493454787 895448717 /nfs/dbraw/zinc/44/87/17/895448717.db2.gz VLLWROVNQMWEPV-UHFFFAOYSA-N 0 1 294.782 1.386 10 30 CDEEMN COCC#CCN1CCCC[C@H]1CNC(=O)C=C1CCC1 ZINC001266839677 896156046 /nfs/dbraw/zinc/15/60/46/896156046.db2.gz GKSZBRIJADJLJF-INIZCTEOSA-N 0 1 290.407 1.717 10 30 CDEEMN CC#CCN1CCCC[C@@H]1CNC(=O)COC(C)(C)C ZINC001266839726 896159330 /nfs/dbraw/zinc/15/93/30/896159330.db2.gz HHYBADFAOAEZPJ-CQSZACIVSA-N 0 1 280.412 1.796 10 30 CDEEMN COc1ccnc(CN[C@H](C)CNC(=O)C#CC(C)C)c1 ZINC001266934952 896390291 /nfs/dbraw/zinc/39/02/91/896390291.db2.gz CMPVFWFIRDIQPO-CYBMUJFWSA-N 0 1 289.379 1.344 10 30 CDEEMN O=C(c1ccon1)N1CC[C@H](NCC#Cc2ccccc2)C1 ZINC001267004186 896529089 /nfs/dbraw/zinc/52/90/89/896529089.db2.gz DIETVVVNRKJSBX-HNNXBMFYSA-N 0 1 295.342 1.530 10 30 CDEEMN C=CCOCC(=O)N1CC[C@H](NCc2nc(C)cs2)C1 ZINC001267006887 896538272 /nfs/dbraw/zinc/53/82/72/896538272.db2.gz VXZZKMWYXONBIO-LBPRGKRZSA-N 0 1 295.408 1.345 10 30 CDEEMN C#CCN1CCC(OC(=O)[C@@H]2C[C@H](C)O[C@H]2C)CC1 ZINC001349760764 896650305 /nfs/dbraw/zinc/65/03/05/896650305.db2.gz SROFJDUFTDOXPY-SGMGOOAPSA-N 0 1 265.353 1.441 10 30 CDEEMN CC#CCN(C)CCNC(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC001267221542 897196733 /nfs/dbraw/zinc/19/67/33/897196733.db2.gz MFCRJSXAOMZLFB-CYBMUJFWSA-N 0 1 286.375 1.695 10 30 CDEEMN C#CCN(CC)CCNC(=O)CC1(OC)CCC1 ZINC001267240474 897289477 /nfs/dbraw/zinc/28/94/77/897289477.db2.gz MUMBSMINZPWQQI-UHFFFAOYSA-N 0 1 252.358 1.017 10 30 CDEEMN CC#CCN1CCC[C@@H]1CNC(=O)[C@@H](OCC)C(C)C ZINC001267267537 897411368 /nfs/dbraw/zinc/41/13/68/897411368.db2.gz QAHWVAHHZKBZCH-CABCVRRESA-N 0 1 280.412 1.651 10 30 CDEEMN CC#CCN1CCC[C@H]1CNC(=O)CCc1ccncn1 ZINC001267270738 897422860 /nfs/dbraw/zinc/42/28/60/897422860.db2.gz WIBVKXITBRBQLM-HNNXBMFYSA-N 0 1 286.379 1.013 10 30 CDEEMN CC#CCN1CCC[C@H]1CNC(=O)[C@@H](OC)C1CCCC1 ZINC001267280154 897452509 /nfs/dbraw/zinc/45/25/09/897452509.db2.gz AODLYAHPUGMZHI-HOTGVXAUSA-N 0 1 292.423 1.796 10 30 CDEEMN Cc1ncoc1CNCCN(C)C(=O)c1c[nH]c(C#N)c1 ZINC001267363937 897714138 /nfs/dbraw/zinc/71/41/38/897714138.db2.gz ODFMCDFJUVXZBM-UHFFFAOYSA-N 0 1 287.323 1.045 10 30 CDEEMN C=C(Cl)CNCCN(C)C(=O)C[C@@H](C)SC ZINC001267365434 897716292 /nfs/dbraw/zinc/71/62/92/897716292.db2.gz XRXYYXIDBMRXGV-SNVBAGLBSA-N 0 1 264.822 1.929 10 30 CDEEMN C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)c2ncccc2[O-])C1 ZINC001267455048 897927862 /nfs/dbraw/zinc/92/78/62/897927862.db2.gz VGATVNGITLTVER-CYBMUJFWSA-N 0 1 287.363 1.347 10 30 CDEEMN C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ncccc2[O-])C1 ZINC001267455048 897927867 /nfs/dbraw/zinc/92/78/67/897927867.db2.gz VGATVNGITLTVER-CYBMUJFWSA-N 0 1 287.363 1.347 10 30 CDEEMN C=CCN1CC[C@@H](N(CC)CCNC(=O)CCC)C1=O ZINC001480956976 898220002 /nfs/dbraw/zinc/22/00/02/898220002.db2.gz LXXOUHPALHSJMZ-CYBMUJFWSA-N 0 1 281.400 1.012 10 30 CDEEMN CC#CCN(CC)CCNC(=O)c1cc(C)cc2c[nH]nc21 ZINC001481006601 898466934 /nfs/dbraw/zinc/46/69/34/898466934.db2.gz WPQPLWSLXWCISQ-UHFFFAOYSA-N 0 1 298.390 1.946 10 30 CDEEMN C=C(C)[C@@H](CC(=O)NC[C@@H]1CCCN1CC#CC)OCC ZINC001481041688 898661407 /nfs/dbraw/zinc/66/14/07/898661407.db2.gz KMDHVBINBHLOEK-JKSUJKDBSA-N 0 1 292.423 1.962 10 30 CDEEMN C#CCN1CCC[C@H]1CNC(=O)[C@@H](CCC)OC ZINC001481054443 898695117 /nfs/dbraw/zinc/69/51/17/898695117.db2.gz ZTPMHFROXQQPAF-QWHCGFSZSA-N 0 1 252.358 1.015 10 30 CDEEMN C#CCN1CCC[C@@H]1CNC(=O)C[C@H](C)n1cccn1 ZINC001481064437 898722137 /nfs/dbraw/zinc/72/21/37/898722137.db2.gz PUJOCDOSNQFOIG-UONOGXRCSA-N 0 1 274.368 1.048 10 30 CDEEMN C=CCCC(=O)N(C)CCN1CCN([C@H](C)COC)CC1 ZINC001267606225 898842312 /nfs/dbraw/zinc/84/23/12/898842312.db2.gz QQCUWMBQFJVMQP-OAHLLOKOSA-N 0 1 297.443 1.064 10 30 CDEEMN C=CCC[C@@H](C)N1CC(NC(=O)c2cccc3n[nH]nc32)C1 ZINC001267648058 899157782 /nfs/dbraw/zinc/15/77/82/899157782.db2.gz ZELLIZCBTQRJKP-LLVKDONJSA-N 0 1 299.378 1.727 10 30 CDEEMN C=C(Br)CNCCN(C)C(=O)C(C)C ZINC001481208819 899303478 /nfs/dbraw/zinc/30/34/78/899303478.db2.gz RESLRXXMCVSRFK-UHFFFAOYSA-N 0 1 263.179 1.599 10 30 CDEEMN C=CCOCCN1CC(CNC(=O)c2cccn2CC)C1 ZINC001267698513 899315234 /nfs/dbraw/zinc/31/52/34/899315234.db2.gz BEFXBTACSOPMCC-UHFFFAOYSA-N 0 1 291.395 1.372 10 30 CDEEMN C=CCOCC(=O)N[C@H]1CCN(Cc2cnccc2C)C1 ZINC001267723324 899387851 /nfs/dbraw/zinc/38/78/51/899387851.db2.gz XRWCFGYYTAIDIW-HNNXBMFYSA-N 0 1 289.379 1.283 10 30 CDEEMN C=CCOCCN1CC[C@@H](NC(=O)c2cccc(C)n2)C1 ZINC001267736438 899453066 /nfs/dbraw/zinc/45/30/66/899453066.db2.gz BWSDCUSXWXNVMQ-CQSZACIVSA-N 0 1 289.379 1.397 10 30 CDEEMN CC#CCN[C@H](CO)CNC(=O)[C@H](C)CC1CCCCC1 ZINC001283813320 899647284 /nfs/dbraw/zinc/64/72/84/899647284.db2.gz NXPACPNGOFJNNX-ZBFHGGJFSA-N 0 1 294.439 1.683 10 30 CDEEMN C=C(Cl)CNCCN(C)C(=O)CCn1nc(C)cc1C ZINC001481263662 899700396 /nfs/dbraw/zinc/70/03/96/899700396.db2.gz TYSKWBAJJUUENA-UHFFFAOYSA-N 0 1 298.818 1.691 10 30 CDEEMN C=C(Cl)CN[C@H](CC)CNC(=O)[C@@H](C)OCC ZINC001267798569 899755109 /nfs/dbraw/zinc/75/51/09/899755109.db2.gz SVQSXCVQJOBEIB-GHMZBOCLSA-N 0 1 262.781 1.648 10 30 CDEEMN C=CCN1CC2(C1)CCN(C(=O)CCCC(=O)NC)CC2 ZINC001268043439 900812379 /nfs/dbraw/zinc/81/23/79/900812379.db2.gz JYWOSNVOYNPYBX-UHFFFAOYSA-N 0 1 293.411 1.013 10 30 CDEEMN C[C@@H](CNCC#N)N(C)C(=O)c1nc[nH]c1C(F)(F)F ZINC001268069002 901094110 /nfs/dbraw/zinc/09/41/10/901094110.db2.gz RCBSWVWVQYVTNO-ZETCQYMHSA-N 0 1 289.261 1.002 10 30 CDEEMN C=CCN1CCC[C@H](NC(=O)[C@H](C)CCCOC)C1 ZINC001268228709 901612682 /nfs/dbraw/zinc/61/26/82/901612682.db2.gz JWWRQDYCHXPNDA-KGLIPLIRSA-N 0 1 268.401 1.816 10 30 CDEEMN C=C[C@](C)(CC)C(=O)NC[C@H](O)CNCc1conc1C ZINC001268320388 901850417 /nfs/dbraw/zinc/85/04/17/901850417.db2.gz APFQTNFQEBPPSL-UKRRQHHQSA-N 0 1 295.383 1.152 10 30 CDEEMN C#CCN1CC[C@H](N(C)C(=O)CCc2ccco2)C1 ZINC001481712351 901893207 /nfs/dbraw/zinc/89/32/07/901893207.db2.gz FEPMTPSRQGLDKE-ZDUSSCGKSA-N 0 1 260.337 1.378 10 30 CDEEMN C#CCCCC(=O)NC[C@@H](CC)NCc1cc(C)no1 ZINC001481806998 902159237 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/nfs/dbraw/zinc/48/84/27/970488427.db2.gz HMZPTLFYDBOIFN-AWEZNQCLSA-N 0 1 293.411 1.059 10 30 CDEEMN C#CCN1CCC2(CN(C(=O)C[C@H]3CC(C)(C)CO3)C2)C1 ZINC001472129292 970586176 /nfs/dbraw/zinc/58/61/76/970586176.db2.gz LGHHZLSBDLYEFR-AWEZNQCLSA-N 0 1 290.407 1.359 10 30 CDEEMN C=CCCC(=O)N1CC[C@@H](N(C)C(=O)CN2CCCC2)C1 ZINC001523079114 970647942 /nfs/dbraw/zinc/64/79/42/970647942.db2.gz OVJQLYYTQBYSHS-CQSZACIVSA-N 0 1 293.411 1.108 10 30 CDEEMN C[C@@]1(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CCC(=O)N1 ZINC001361913334 970669548 /nfs/dbraw/zinc/66/95/48/970669548.db2.gz NZDOTFAMACCBON-AWEZNQCLSA-N 0 1 283.291 1.042 10 30 CDEEMN C=CCN1C(=O)N=NC1SCc1cc(C#N)ccn1 ZINC001473005147 970739334 /nfs/dbraw/zinc/73/93/34/970739334.db2.gz MWCQVAOTJXDVOM-UHFFFAOYSA-N 0 1 273.321 1.729 10 30 CDEEMN C=CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1ncccc1[O-] ZINC001496468196 972931762 /nfs/dbraw/zinc/93/17/62/972931762.db2.gz NXGRPQFZHQEFQJ-CHWSQXEVSA-N 0 1 289.379 1.804 10 30 CDEEMN COCC#CCN(C)CCN(C)C(=O)Cc1occc1C 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CN(CC1CN(C)C1)C(=O)c1cc(F)c(C#N)c(F)c1 ZINC000598160278 343721932 /nfs/dbraw/zinc/72/19/32/343721932.db2.gz KMAYVJRCMVJNOF-UHFFFAOYSA-N 0 1 279.290 1.470 10 30 CDEEMN C[C@H](C#N)N(C(=O)[C@H]1CCc2[nH]cnc2C1)C1CC1 ZINC000598133827 343723747 /nfs/dbraw/zinc/72/37/47/343723747.db2.gz BGXZOFIOPNKZDR-ZJUUUORDSA-N 0 1 258.325 1.418 10 30 CDEEMN CN1CCCC[C@@H]1C(=O)NCC1CCC(C#N)CC1 ZINC000619674621 349847647 /nfs/dbraw/zinc/84/76/47/349847647.db2.gz KLKNCXNHWSAMSA-JXQTWKCFSA-N 0 1 263.385 1.917 10 30 CDEEMN CCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])[C@@H](C)C#N ZINC000598359702 343776296 /nfs/dbraw/zinc/77/62/96/343776296.db2.gz PFUPHZXRBUZHDA-QMMMGPOBSA-N 0 1 279.300 1.815 10 30 CDEEMN C=CCNC(=O)NC(=O)CN1C[C@@H]2CCCC[C@@]21C ZINC000599674940 344115674 /nfs/dbraw/zinc/11/56/74/344115674.db2.gz LKSRDSWSNOQGJY-FZMZJTMJSA-N 0 1 265.357 1.263 10 30 CDEEMN C=CCOCCCNC(=O)C(C)(C)c1cnc[nH]1 ZINC000618524841 344892767 /nfs/dbraw/zinc/89/27/67/344892767.db2.gz RYQIRTFLCOYLCP-UHFFFAOYSA-N 0 1 251.330 1.396 10 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1 250.346 1.511 10 30 CDEEMN CCCN1CCN(c2cc(C#N)nc(C3CC3)n2)CC1 ZINC000601099583 348338250 /nfs/dbraw/zinc/33/82/50/348338250.db2.gz AEYLQOPVTGXIJE-UHFFFAOYSA-N 0 1 271.368 1.758 10 30 CDEEMN Cn1c(C#N)ccc1C(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000603141699 350218819 /nfs/dbraw/zinc/21/88/19/350218819.db2.gz IDMGYNDAALGQOL-AWEZNQCLSA-N 0 1 288.395 1.699 10 30 CDEEMN CCN(C[C@H](C)C#N)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000225311400 362981177 /nfs/dbraw/zinc/98/11/77/362981177.db2.gz PYYMGJDWNOIDNL-OLZOCXBDSA-N 0 1 287.429 1.140 10 30 CDEEMN C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(C)(C)c1cnc[nH]1 ZINC000621989823 350920574 /nfs/dbraw/zinc/92/05/74/350920574.db2.gz WWAABEBADPEFNG-WCQYABFASA-N 0 1 277.368 1.785 10 30 CDEEMN C=CC(C)(C)CC(=O)NCCCN(C)CC(=O)N(C)C ZINC001660158659 1172168937 /nfs/dbraw/zinc/16/89/37/1172168937.db2.gz JYVXQMNQHGQFSX-UHFFFAOYSA-N 0 1 283.416 1.115 10 30 CDEEMN C=C(C)C(C)(C)C(=O)NCCCN(C)[C@@H](C)C(=O)NC ZINC001660252991 1172183527 /nfs/dbraw/zinc/18/35/27/1172183527.db2.gz BPZJITLIMCBXHL-LBPRGKRZSA-N 0 1 283.416 1.161 10 30 CDEEMN N#C[C@H]1CCC[C@H]1NC(=O)c1n[nH]c2ccccc21 ZINC000086472661 357244221 /nfs/dbraw/zinc/24/42/21/357244221.db2.gz TYPFYNKMEBQXCS-MWLCHTKSSA-N 0 1 254.293 1.985 10 30 CDEEMN N#Cc1c(F)cccc1C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000334603136 357605222 /nfs/dbraw/zinc/60/52/22/357605222.db2.gz HDQMPZZAJJRCKL-VIFPVBQESA-N 0 1 284.294 1.708 10 30 CDEEMN Cc1nc([C@@H]2CCCCN2C(=O)c2ccnc(C#N)c2)n[nH]1 ZINC000407979656 357695240 /nfs/dbraw/zinc/69/52/40/357695240.db2.gz DQLLOOPWABDSKX-ZDUSSCGKSA-N 0 1 296.334 1.747 10 30 CDEEMN C=CCN(CC=C)C(=O)CN1CCC([C@@H](C)O)CC1 ZINC000225783984 366427542 /nfs/dbraw/zinc/42/75/42/366427542.db2.gz RDCTYUJPUTVKNF-CYBMUJFWSA-N 0 1 266.385 1.280 10 30 CDEEMN Cc1nc([C@@H](C)NS(=O)(=O)CC2(C#N)CCCC2)n[nH]1 ZINC000352538748 363617545 /nfs/dbraw/zinc/61/75/45/363617545.db2.gz OGXNPWHIRSPGGT-SECBINFHSA-N 0 1 297.384 1.178 10 30 CDEEMN CCOC(=O)[C@@H](CCOC(C)(C)C)NC(=O)C(C)C#N ZINC000346623799 359028185 /nfs/dbraw/zinc/02/81/85/359028185.db2.gz DMAZLCVYHUZHIJ-WDEREUQCSA-N 0 1 284.356 1.399 10 30 CDEEMN C=C[C@](C)(O)CC(=O)NCc1ccc2cncn2c1 ZINC000297321442 200147961 /nfs/dbraw/zinc/14/79/61/200147961.db2.gz SGSQRUMKCCAGNH-AWEZNQCLSA-N 0 1 259.309 1.278 10 30 CDEEMN C=CCN1CC[C@H](N[C@@H](CO)c2sccc2C)C1=O ZINC000337205671 360038775 /nfs/dbraw/zinc/03/87/75/360038775.db2.gz LAXNCKCTVWEKQY-RYUDHWBXSA-N 0 1 280.393 1.466 10 30 CDEEMN CN1CCC(C#N)(NC(=O)[C@H]2CCC(C)(C)O2)CC1 ZINC000514902784 360405409 /nfs/dbraw/zinc/40/54/09/360405409.db2.gz KRXGCDUZGGJJNO-LLVKDONJSA-N 0 1 265.357 1.048 10 30 CDEEMN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CCOCCC#N ZINC000339115473 361298187 /nfs/dbraw/zinc/29/81/87/361298187.db2.gz BAEFGGKIWQHNHB-XQQFMLRXSA-N 0 1 266.341 1.190 10 30 CDEEMN C=CCSCCNC(=O)c1cnccc1N(C)C ZINC000183469929 189359852 /nfs/dbraw/zinc/35/98/52/189359852.db2.gz AHDKURYMWULWBI-UHFFFAOYSA-N 0 1 265.382 1.797 10 30 CDEEMN C=CCN1CCN(CCNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001660931053 1172302179 /nfs/dbraw/zinc/30/21/79/1172302179.db2.gz ZIPPGDIKADVHTM-BZUAXINKSA-N 0 1 291.439 1.342 10 30 CDEEMN CC1(C)CCN(C(=O)N[C@H]2COC[C@H]2n2ccnn2)CC1 ZINC000329387232 361496524 /nfs/dbraw/zinc/49/65/24/361496524.db2.gz QVGYASSIRKZXSZ-NWDGAFQWSA-N 0 1 293.371 1.254 10 30 CDEEMN CN(C)C[C@H]1CCCN1S(=O)(=O)CC1(C#N)CCC1 ZINC000520662067 361568706 /nfs/dbraw/zinc/56/87/06/361568706.db2.gz PLFZKXJJNQYEDC-GFCCVEGCSA-N 0 1 285.413 1.036 10 30 CDEEMN C=C[C@](C)(CC)C(=O)N[C@H]1CCN(CCn2cccn2)C1 ZINC001661020039 1172322712 /nfs/dbraw/zinc/32/27/12/1172322712.db2.gz KOTSISKWNMNYLH-GOEBONIOSA-N 0 1 290.411 1.676 10 30 CDEEMN N#CC1(C[C@H](O)CN2CCOc3cc(O)ccc3C2)CC1 ZINC000528502303 367867848 /nfs/dbraw/zinc/86/78/48/367867848.db2.gz HBSYWVXQWILDNN-AWEZNQCLSA-N 0 1 288.347 1.641 10 30 CDEEMN C=CCN1CCC(NC(=O)C(=O)c2ccc(F)cc2)CC1 ZINC000358791757 367902640 /nfs/dbraw/zinc/90/26/40/367902640.db2.gz SJMLAENVMKOVLK-UHFFFAOYSA-N 0 1 290.338 1.775 10 30 CDEEMN CCN(CC(=O)N[C@](C)(C#N)C(C)C)[C@H]1CCOC1 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C[C@@H]1CC[C@@H](CN2CCN(c3cccc(C#N)n3)CC2)O1 ZINC000355247647 373824854 /nfs/dbraw/zinc/82/48/54/373824854.db2.gz ZECPLLYPVYCFOC-HIFRSBDPSA-N 0 1 286.379 1.643 10 30 CDEEMN CCN1C[C@H](C)N(C(=O)c2ccnc(C#N)c2)C[C@@H]1C ZINC000356628305 373859456 /nfs/dbraw/zinc/85/94/56/373859456.db2.gz UGHHCCJANSUPAW-RYUDHWBXSA-N 0 1 272.352 1.508 10 30 CDEEMN C#CCN1CCCC[C@H]1CNC(=O)CC1(OC)CCC1 ZINC001661861097 1172457569 /nfs/dbraw/zinc/45/75/69/1172457569.db2.gz GOLORRSSVLPGHU-AWEZNQCLSA-N 0 1 278.396 1.550 10 30 CDEEMN N#Cc1ccc([N+](=O)[O-])c(NCCc2nc[nH]n2)c1 ZINC000124810553 374849223 /nfs/dbraw/zinc/84/92/23/374849223.db2.gz BPHDLBKAPZJNAY-UHFFFAOYSA-N 0 1 258.241 1.239 10 30 CDEEMN COCCN1CCCN(C(=O)c2cc(C#N)oc2C)CC1 ZINC000280801919 375023690 /nfs/dbraw/zinc/02/36/90/375023690.db2.gz RZRIYVLJXDUBAE-UHFFFAOYSA-N 0 1 291.351 1.254 10 30 CDEEMN C=C(C)CN(CC)C(=O)CN1CC[C@@H](O)CC12CCC2 ZINC000564071916 375696220 /nfs/dbraw/zinc/69/62/20/375696220.db2.gz FSAUBFVOQNFKES-CQSZACIVSA-N 0 1 280.412 1.790 10 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1.365 10 30 CDEEMN CC(C)c1nc([C@@H](C)NC(=O)c2ccnc(C#N)c2)n[nH]1 ZINC000281341429 195203930 /nfs/dbraw/zinc/20/39/30/195203930.db2.gz WCLAPABKVVHPCT-SECBINFHSA-N 0 1 284.323 1.686 10 30 CDEEMN CN(C[C@@H]1CCCN1C)S(=O)(=O)CC1(C#N)CCC1 ZINC000575036937 335057406 /nfs/dbraw/zinc/05/74/06/335057406.db2.gz JNCUOHCFFHTTBU-LBPRGKRZSA-N 0 1 285.413 1.036 10 30 CDEEMN CC#CCN(C)CCNC(=O)c1ccc(C)cc1F ZINC001663285034 1172667309 /nfs/dbraw/zinc/66/73/09/1172667309.db2.gz WPTYFSXWCMZKOC-UHFFFAOYSA-N 0 1 262.328 1.819 10 30 CDEEMN CC#CCN(C)CCNC(=O)C[C@H](C)[C@H]1CCCO1 ZINC001663324021 1172670544 /nfs/dbraw/zinc/67/05/44/1172670544.db2.gz UVYUIBFMOJOVQP-UONOGXRCSA-N 0 1 266.385 1.263 10 30 CDEEMN C=CCCCCCNC(=O)CN1CCN(CC)CC1 ZINC000575071198 335061158 /nfs/dbraw/zinc/06/11/58/335061158.db2.gz RHBYPWQDDRUJQP-UHFFFAOYSA-N 0 1 267.417 1.487 10 30 CDEEMN CN(Cc1cnc2ccc(C#N)cn12)C[C@@H]1CCCO1 ZINC000128031089 390815438 /nfs/dbraw/zinc/81/54/38/390815438.db2.gz KDBMDDAFYBDSQB-AWEZNQCLSA-N 0 1 270.336 1.817 10 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1170275914 /nfs/dbraw/zinc/27/59/14/1170275914.db2.gz SSIBYCMBBBRJFN-UHFFFAOYSA-N 0 1 294.439 1.779 10 30 CDEEMN C=CCN1CC([C@@H](C)NC(=O)[C@@H](C)CSC)C1 ZINC001570835817 1170287410 /nfs/dbraw/zinc/28/74/10/1170287410.db2.gz VUOOVUQELHTKJJ-WDEREUQCSA-N 0 1 256.415 1.608 10 30 CDEEMN C=CCOCC(=O)N(C)C[C@@H](C)NCc1ncc(C)s1 ZINC001571380641 1170397086 /nfs/dbraw/zinc/39/70/86/1170397086.db2.gz RZAHQVATIYUBQX-LLVKDONJSA-N 0 1 297.424 1.591 10 30 CDEEMN C=CCCC(=O)N(C)C[C@@H](C)NCc1cnns1 ZINC001571380802 1170397692 /nfs/dbraw/zinc/39/76/92/1170397692.db2.gz VTTCPOHIRQIPLS-SNVBAGLBSA-N 0 1 268.386 1.441 10 30 CDEEMN C#CCN1CC=C(CNC(=O)CCc2cncs2)CC1 ZINC001571695502 1170527238 /nfs/dbraw/zinc/52/72/38/1170527238.db2.gz QERQLYMEXBXKMZ-UHFFFAOYSA-N 0 1 289.404 1.457 10 30 CDEEMN C#CC[N@H+](C)CCOCCN(C)C(=O)C1CCC=CCC1 ZINC001656877343 1171891829 /nfs/dbraw/zinc/89/18/29/1171891829.db2.gz LNNWQFRNRABYLK-UHFFFAOYSA-N 0 1 292.423 1.773 10 30 CDEEMN C#CCN1CC[C@H](NC(=O)/C=C/c2ccco2)[C@H]1C 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CCN(C1CCN(C)CC1)S(=O)(=O)CC1(C#N)CCC1 ZINC000601430053 342561911 /nfs/dbraw/zinc/56/19/11/342561911.db2.gz ZZDQAZSSGBLLQC-UHFFFAOYSA-N 0 1 299.440 1.426 10 30 CDEEMN CC1(C)CN(C[C@H](O)CC2(C#N)CCOCC2)CCO1 ZINC000599252942 343989576 /nfs/dbraw/zinc/98/95/76/343989576.db2.gz XYVIYEOFQDKNHB-CYBMUJFWSA-N 0 1 282.384 1.169 10 30 CDEEMN N#CCC[C@H](C#N)CN[C@H](c1nnc[nH]1)c1ccccc1 ZINC000439434290 361815249 /nfs/dbraw/zinc/81/52/49/361815249.db2.gz BRARGNOTIFXXRL-OCCSQVGLSA-N 0 1 280.335 1.927 10 30 CDEEMN Cn1cc(C#N)c(=NC(=O)NCCCC2CCOCC2)[nH]1 ZINC000590819427 342598815 /nfs/dbraw/zinc/59/88/15/342598815.db2.gz JTWCPIHYGYZNKU-UHFFFAOYSA-N 0 1 291.355 1.042 10 30 CDEEMN C[C@H]1CN(C[C@H](O)CC2(C#N)CCOCC2)CC(C)(C)O1 ZINC000599272419 343994516 /nfs/dbraw/zinc/99/45/16/343994516.db2.gz JKKMYEHZLSLQBK-UONOGXRCSA-N 0 1 296.411 1.557 10 30 CDEEMN C=C[C@@H](O)C(=O)Nc1nc2c(s1)CN(C(C)(C)C)CC2 ZINC000616418528 342105196 /nfs/dbraw/zinc/10/51/96/342105196.db2.gz XSRSQVPFCYPSGA-SNVBAGLBSA-N 0 1 295.408 1.785 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TVFVJNUSAPDNTM-LLVKDONJSA-N 0 1 294.786 1.500 10 30 CDEEMN CCc1nc([C@@H](C)NC(=O)Cc2cccc(C#N)c2)n[nH]1 ZINC000535696657 282266391 /nfs/dbraw/zinc/26/63/91/282266391.db2.gz SRXSXIQIGSFODR-SNVBAGLBSA-N 0 1 283.335 1.659 10 30 CDEEMN CSC1(CN2CCN(c3ncccc3C#N)CC2)CC1 ZINC000289210812 136399398 /nfs/dbraw/zinc/39/93/98/136399398.db2.gz WLBZHZSEKPFXMY-UHFFFAOYSA-N 0 1 288.420 1.971 10 30 CDEEMN C[C@H](CC(=O)NC1(C#N)CCN(C)CC1)[C@@H]1CCCO1 ZINC000597166468 343465278 /nfs/dbraw/zinc/46/52/78/343465278.db2.gz PJNYRUQRFINSGJ-OLZOCXBDSA-N 0 1 279.384 1.296 10 30 CDEEMN C[C@H](CC#N)C(=O)NC[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000597732266 343618954 /nfs/dbraw/zinc/61/89/54/343618954.db2.gz SYUUHLNUOYCONG-DGCLKSJQSA-N 0 1 283.335 1.603 10 30 CDEEMN C=CCC[C@@H](O)CN1CCO[C@H](Cn2nc(C)cc2C)C1 ZINC000127999895 187345863 /nfs/dbraw/zinc/34/58/63/187345863.db2.gz UEKNFXYIIUXZCZ-CVEARBPZSA-N 0 1 293.411 1.528 10 30 CDEEMN CN(CC1CN(C)C1)C(=O)c1cccc(CC#N)c1 ZINC000598161201 343721655 /nfs/dbraw/zinc/72/16/55/343721655.db2.gz CHKFMRJJJJLEAC-UHFFFAOYSA-N 0 1 257.337 1.386 10 30 CDEEMN Cc1ccc(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1C#N ZINC000599387095 344038045 /nfs/dbraw/zinc/03/80/45/344038045.db2.gz SXWZXRLEOUAIKT-CWRNSKLLSA-N 0 1 283.375 1.953 10 30 CDEEMN Cc1cc(CC(=O)N[C@H](C#N)c2ccc(F)cc2)[nH]n1 ZINC000445662658 362251668 /nfs/dbraw/zinc/25/16/68/362251668.db2.gz CIORKNGJIRKXMY-CYBMUJFWSA-N 0 1 272.283 1.781 10 30 CDEEMN C[C@H](CC#N)C(=O)NCc1ccc2c(c1)o[nH]c2=N ZINC000600024536 344165598 /nfs/dbraw/zinc/16/55/98/344165598.db2.gz KQFZEWXSOARERE-MRVPVSSYSA-N 0 1 258.281 1.406 10 30 CDEEMN C[C@@](O)(C[C@@H](O)CNCC1(C#N)CCC1)C1CC1 ZINC000601963247 344297240 /nfs/dbraw/zinc/29/72/40/344297240.db2.gz DPLJKRPTZWHJGA-CHWSQXEVSA-N 0 1 252.358 1.182 10 30 CDEEMN C[C@]1(c2ccccc2)CCN(CC(=O)NCC#N)C1 ZINC000446738506 362376966 /nfs/dbraw/zinc/37/69/66/362376966.db2.gz IMNZIANIPKDNFZ-HNNXBMFYSA-N 0 1 257.337 1.290 10 30 CDEEMN C=CC[C@@H](CO)NCc1c(C(=O)OC(C)(C)C)cnn1C ZINC000602615616 344497207 /nfs/dbraw/zinc/49/72/07/344497207.db2.gz ZMMWYLIEFUPZND-NSHDSACASA-N 0 1 295.383 1.402 10 30 CDEEMN C=CC[C@H]1CCCC[C@H]1NC(=O)N=c1[nH]n(C)cc1C#N ZINC000602885939 344635113 /nfs/dbraw/zinc/63/51/13/344635113.db2.gz GRRVBOXYRHRDMN-WCQYABFASA-N 0 1 287.367 1.970 10 30 CDEEMN N#Cc1ccc(N2CC(N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000601193810 349924366 /nfs/dbraw/zinc/92/43/66/349924366.db2.gz QMWXPZSPXGYLBL-UHFFFAOYSA-N 0 1 272.308 1.751 10 30 CDEEMN CC1(C)C[NH2+]CC[C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)C1 ZINC000601347748 349938649 /nfs/dbraw/zinc/93/86/49/349938649.db2.gz KMFPTZNORDDQEW-SNVBAGLBSA-N 0 1 297.380 1.208 10 30 CDEEMN Cn1cc(C#N)c(=NC(=O)N[C@H]2CC3CCC2CC3)[nH]1 ZINC000610876596 346473653 /nfs/dbraw/zinc/47/36/53/346473653.db2.gz ANPURYREWNBVKC-CBINBANVSA-N 0 1 273.340 1.414 10 30 CDEEMN Cn1cc(C#N)c(=NC(=O)N[C@@H]2CCCC(F)(F)C2)[nH]1 ZINC000610876665 346473787 /nfs/dbraw/zinc/47/37/87/346473787.db2.gz LWOQZOLFWYISKC-SECBINFHSA-N 0 1 283.282 1.413 10 30 CDEEMN C[C@@H]1C(=O)NCCCN1CCCC1(C#N)CCOCC1 ZINC000374073253 370649351 /nfs/dbraw/zinc/64/93/51/370649351.db2.gz YFGRFPHUGSJRND-CYBMUJFWSA-N 0 1 279.384 1.297 10 30 CDEEMN C=C[C@@H](N[C@@H](c1nnc[nH]1)c1ccccc1)C(=O)OC ZINC000619722097 348208033 /nfs/dbraw/zinc/20/80/33/348208033.db2.gz DJGNQSJPBUMXGE-VXGBXAGGSA-N 0 1 272.308 1.211 10 30 CDEEMN C=CCC1(C(=O)NCc2n[nH]c(COC)n2)CCCC1 ZINC000617934244 349365728 /nfs/dbraw/zinc/36/57/28/349365728.db2.gz LSTQAFIYAYGBCJ-UHFFFAOYSA-N 0 1 278.356 1.704 10 30 CDEEMN C=CCC1(C(=O)NCc2nnc(COC)[nH]2)CCCC1 ZINC000617934244 349365731 /nfs/dbraw/zinc/36/57/31/349365731.db2.gz LSTQAFIYAYGBCJ-UHFFFAOYSA-N 0 1 278.356 1.704 10 30 CDEEMN N#Cc1cnc(C#N)c(Nc2ccc([N+](=O)[O-])cc2C#N)n1 ZINC000090563012 180004155 /nfs/dbraw/zinc/00/41/55/180004155.db2.gz FZQFPYQQRHGWTD-UHFFFAOYSA-N 0 1 291.230 1.743 10 30 CDEEMN CN1CCN(CCC#Cc2ccc(C=O)cc2)CC1 ZINC000090669074 180019999 /nfs/dbraw/zinc/01/99/99/180019999.db2.gz IPNMUHOVGCRQIG-UHFFFAOYSA-N 0 1 256.349 1.488 10 30 CDEEMN C[C@@H](C#N)C(=O)NCCCN(C)Cc1cccc(Cl)n1 ZINC001660081239 1172154976 /nfs/dbraw/zinc/15/49/76/1172154976.db2.gz MMPJQHXVECLVLU-NSHDSACASA-N 0 1 294.786 1.833 10 30 CDEEMN C[C@@H]1CN(C)C[C@H](C)N1C(=O)COc1ccc(C#N)cc1 ZINC000155287901 188196451 /nfs/dbraw/zinc/19/64/51/188196451.db2.gz CRNDHFGKZRTYST-BETUJISGSA-N 0 1 287.363 1.488 10 30 CDEEMN CN1CCO[C@H]2CN(c3ccc(C#N)cc3F)C[C@@H]21 ZINC000153148643 283036777 /nfs/dbraw/zinc/03/67/77/283036777.db2.gz OTLZFKRUNGQVFN-KBPBESRZSA-N 0 1 261.300 1.217 10 30 CDEEMN N#Cc1ccc(C(=O)Nc2ccn(-c3ccncc3)n2)o1 ZINC000340346666 283128745 /nfs/dbraw/zinc/12/87/45/283128745.db2.gz BTRMLNBYVGNTGJ-UHFFFAOYSA-N 0 1 279.259 1.406 10 30 CDEEMN CC1(CN2CCN(c3ncccc3C#N)CC2)COC1 ZINC000336824614 356281938 /nfs/dbraw/zinc/28/19/38/356281938.db2.gz VLBPCAIHVZAGQS-UHFFFAOYSA-N 0 1 272.352 1.112 10 30 CDEEMN C=CCN(CC(F)(F)F)C(=O)c1[nH]nc2c1CNCC2 ZINC000188433330 356749284 /nfs/dbraw/zinc/74/92/84/356749284.db2.gz OUFKFCLFESEGAY-UHFFFAOYSA-N 0 1 288.273 1.246 10 30 CDEEMN Cc1cc(C#N)cc(N2CCN(C[C@@H](C)O)[C@H](C)C2)n1 ZINC000408004784 357753041 /nfs/dbraw/zinc/75/30/41/357753041.db2.gz OGJCFQIVUNWNGL-CHWSQXEVSA-N 0 1 274.368 1.153 10 30 CDEEMN CC(C)n1cc(C#N)c(=NC(=O)[C@H]2CCO[C@H](C)C2)[nH]1 ZINC000408118093 358161492 /nfs/dbraw/zinc/16/14/92/358161492.db2.gz MSPNOBIWXZKDKK-MNOVXSKESA-N 0 1 276.340 1.511 10 30 CDEEMN Cc1ccc(-c2cc(=NC(=O)c3cc(C#N)ccn3)[nH][nH]2)o1 ZINC000357350623 358785413 /nfs/dbraw/zinc/78/54/13/358785413.db2.gz DWPYQAJJZKXXDJ-UHFFFAOYSA-N 0 1 293.286 1.919 10 30 CDEEMN C=C(CC)CN1CCN(C(C)(C)C(=O)OC)CC1 ZINC000494426832 366504632 /nfs/dbraw/zinc/50/46/32/366504632.db2.gz CSJZTLPQXLDKFM-UHFFFAOYSA-N 0 1 254.374 1.522 10 30 CDEEMN CC(C)[C@H]1CN(C(=O)C2(C#N)CCOCC2)CCN1C ZINC000408361328 359692416 /nfs/dbraw/zinc/69/24/16/359692416.db2.gz FHLSRRYEOJWOMO-CYBMUJFWSA-N 0 1 279.384 1.105 10 30 CDEEMN C=CCCn1cc(C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)nn1 ZINC000424729314 360348305 /nfs/dbraw/zinc/34/83/05/360348305.db2.gz BDXNIIUJARJJDM-JTQLQIEISA-N 0 1 288.355 1.247 10 30 CDEEMN C[C@H]1OCC[C@H]1NC(=O)[C@H]1CCc2[nH]nnc2C1 ZINC000329247046 291226204 /nfs/dbraw/zinc/22/62/04/291226204.db2.gz VYQIIFUVCVSRBL-HRDYMLBCSA-N 0 1 250.302 1.044 10 30 CDEEMN C[C@H]1OCC[C@H]1NC(=O)[C@H]1CCc2nn[nH]c2C1 ZINC000329247046 291226206 /nfs/dbraw/zinc/22/62/06/291226206.db2.gz VYQIIFUVCVSRBL-HRDYMLBCSA-N 0 1 250.302 1.044 10 30 CDEEMN C=CCN1CCC[C@H](NC(=O)[C@@H](OC)C2CCCC2)C1 ZINC001660855876 1172290445 /nfs/dbraw/zinc/29/04/45/1172290445.db2.gz UDQYXXWDZWKIRA-GJZGRUSLSA-N 0 1 280.412 1.958 10 30 CDEEMN C=C(C)CN1CCN(CCNC(=O)c2ccncc2)CC1 ZINC001660912749 1172296096 /nfs/dbraw/zinc/29/60/96/1172296096.db2.gz BVDKVCLWEFTJPV-UHFFFAOYSA-N 0 1 288.395 1.005 10 30 CDEEMN C=CCC[C@H](O)CN1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000351182218 361613717 /nfs/dbraw/zinc/61/37/17/361613717.db2.gz JKYWBSGZYLZVCE-ZDUSSCGKSA-N 0 1 268.401 1.645 10 30 CDEEMN C=CCCCNC(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000448383985 363897810 /nfs/dbraw/zinc/89/78/10/363897810.db2.gz CQELLHVVSIXEIJ-CYBMUJFWSA-N 0 1 253.390 1.934 10 30 CDEEMN C=CCN(CC=C)C(=O)C[N@@H+]1CCN(C)[C@H](C(C)(C)C)C1 ZINC000639747644 364621370 /nfs/dbraw/zinc/62/13/70/364621370.db2.gz AXSAYQUDJGRAKE-HNNXBMFYSA-N 0 1 293.455 1.849 10 30 CDEEMN C[C@H]1CN(C[C@@H](O)CC2(C#N)CC2)CC2(CCC2)O1 ZINC000528535024 367886820 /nfs/dbraw/zinc/88/68/20/367886820.db2.gz AYHBGSACBUKBPI-STQMWFEESA-N 0 1 264.369 1.685 10 30 CDEEMN C=C(C)Cn1c(C)nnc1N1CCN2CCCC[C@H]2C1 ZINC000283228368 368228487 /nfs/dbraw/zinc/22/84/87/368228487.db2.gz JTFAMNKMTHKIQE-AWEZNQCLSA-N 0 1 275.400 1.837 10 30 CDEEMN N#CCSCCCN1CCO[C@@]2(CCCOC2)C1 ZINC000375665514 370900084 /nfs/dbraw/zinc/90/00/84/370900084.db2.gz MWTGVMUAVDUJLB-ZDUSSCGKSA-N 0 1 270.398 1.515 10 30 CDEEMN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000372013358 370445700 /nfs/dbraw/zinc/44/57/00/370445700.db2.gz ZKHDQTIIFNRFQC-WDEREUQCSA-N 0 1 263.345 1.508 10 30 CDEEMN N#CC1(CCN2CCn3c(n[nH]c3=O)C2)CCCCC1 ZINC000565408450 370439110 /nfs/dbraw/zinc/43/91/10/370439110.db2.gz VVXRRMSDPOJADG-UHFFFAOYSA-N 0 1 275.356 1.663 10 30 CDEEMN COCC#CCN1CCC[C@@H](CNC(=O)C2=CCCC2)C1 ZINC001661712240 1172432425 /nfs/dbraw/zinc/43/24/25/1172432425.db2.gz BIQXXIHPADXPNH-HNNXBMFYSA-N 0 1 290.407 1.575 10 30 CDEEMN C=C(C)C[C@@H]1NC(=O)N(Cc2n[nH]c(C(C)C)n2)C1=O ZINC000630986117 373614853 /nfs/dbraw/zinc/61/48/53/373614853.db2.gz YYJOGSQSJUIUFB-VIFPVBQESA-N 0 1 277.328 1.315 10 30 CDEEMN CCOC(=O)[C@@H](C)[C@H](C)NCc1nc(C#N)cs1 ZINC000356407542 373845363 /nfs/dbraw/zinc/84/53/63/373845363.db2.gz HQSNGJGYTMDPPB-IUCAKERBSA-N 0 1 267.354 1.692 10 30 CDEEMN COCCN1CCC[C@@H]1CNc1snc(C)c1C#N ZINC000360965149 374030508 /nfs/dbraw/zinc/03/05/08/374030508.db2.gz BXBQCQPXTFEBOV-LLVKDONJSA-N 0 1 280.397 1.846 10 30 CDEEMN N#Cc1ccc(CCC(=O)N[C@@H]2CCc3nc[nH]c3C2)cc1 ZINC000371279594 374414290 /nfs/dbraw/zinc/41/42/90/374414290.db2.gz JSGAGYGRIDDZAP-CQSZACIVSA-N 0 1 294.358 1.888 10 30 CDEEMN CCCNC(=O)[C@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000092733995 374701629 /nfs/dbraw/zinc/70/16/29/374701629.db2.gz ZQKIVDOMAKYSBF-LBPRGKRZSA-N 0 1 275.352 1.889 10 30 CDEEMN CS(=O)(=O)N1CCCC[C@@H]1CNCc1ccc(C#N)o1 ZINC000353084634 374805227 /nfs/dbraw/zinc/80/52/27/374805227.db2.gz HNCDBXYXUKAIBL-LLVKDONJSA-N 0 1 297.380 1.055 10 30 CDEEMN C=CCSCCNC(=O)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000425653710 375073730 /nfs/dbraw/zinc/07/37/30/375073730.db2.gz ANEFSCHODRHGRH-SNVBAGLBSA-N 0 1 281.385 1.223 10 30 CDEEMN N#Cc1cc(F)ccc1CS(=O)(=O)NCC(F)F ZINC000295278117 375850656 /nfs/dbraw/zinc/85/06/56/375850656.db2.gz SNNMOMWGMAXYEB-UHFFFAOYSA-N 0 1 278.255 1.382 10 30 CDEEMN C=C(CC)CNC(=O)N1C[C@@H](C)N(CCO)C[C@H]1C ZINC000419504705 376140278 /nfs/dbraw/zinc/14/02/78/376140278.db2.gz HFQCRDRMLMTUDJ-CHWSQXEVSA-N 0 1 269.389 1.049 10 30 CDEEMN CC#CCCNS(=O)(=O)c1cc(O)cc(F)c1 ZINC000632188301 377108427 /nfs/dbraw/zinc/10/84/27/377108427.db2.gz OCZAAMVXZDGXTK-UHFFFAOYSA-N 0 1 257.286 1.223 10 30 CDEEMN CCN(CCC#N)C(=O)CN1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248199906 377210579 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343223841 /nfs/dbraw/zinc/22/38/41/343223841.db2.gz XJIMAZOPFXFBGH-UHFFFAOYSA-N 0 1 296.378 1.161 10 30 CDEEMN C=CCN(Cc1cccc([N+](=O)[O-])c1)CC1(CO)COC1 ZINC000089120986 342387764 /nfs/dbraw/zinc/38/77/64/342387764.db2.gz XOAKGKVZALIEFR-UHFFFAOYSA-N 0 1 292.335 1.592 10 30 CDEEMN N#CCc1ccc(CNC(=O)NCCCc2nc[nH]n2)cc1 ZINC000596640831 343368919 /nfs/dbraw/zinc/36/89/19/343368919.db2.gz JBTBKGXLYSSDHH-UHFFFAOYSA-N 0 1 298.350 1.303 10 30 CDEEMN Cc1cc(NC(=O)[C@@H]2CCc3[nH]cnc3C2)n(CCC#N)n1 ZINC000596892598 343410184 /nfs/dbraw/zinc/41/01/84/343410184.db2.gz BGIBKQOUVUXIKC-LLVKDONJSA-N 0 1 298.350 1.572 10 30 CDEEMN CCN1CCN(C(=O)CC2(C#N)CCOCC2)C[C@@H]1C ZINC000597436234 343536299 /nfs/dbraw/zinc/53/62/99/343536299.db2.gz FHLGRFPEKGTLKD-ZDUSSCGKSA-N 0 1 279.384 1.249 10 30 CDEEMN CCN(C(=O)c1cc([O-])cc(C#N)c1)[C@H]1CC[N@H+](CC)C1 ZINC000598040678 343703535 /nfs/dbraw/zinc/70/35/35/343703535.db2.gz QEYYJQDOVBYBTC-AWEZNQCLSA-N 0 1 287.363 1.820 10 30 CDEEMN 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/nfs/dbraw/zinc/15/19/15/777151915.db2.gz BTBHGAVIYGMNDP-QMMMGPOBSA-N 0 1 265.338 1.869 10 30 CDEEMN C#CC[C@@H](COC)NCc1cnc(C(C)(C)C)nc1 ZINC000716811462 777181244 /nfs/dbraw/zinc/18/12/44/777181244.db2.gz NMFGJKIVFPHMTG-ZDUSSCGKSA-N 0 1 261.369 1.902 10 30 CDEEMN C#CC1(O)CCN(C(=O)c2ccc(F)cc2O)CC1 ZINC000708128452 777250771 /nfs/dbraw/zinc/25/07/71/777250771.db2.gz PXPDQOOXBKBUPT-UHFFFAOYSA-N 0 1 263.268 1.132 10 30 CDEEMN COc1nccnc1C=NNc1cc(C)nc(C)n1 ZINC000792978096 777277359 /nfs/dbraw/zinc/27/73/59/777277359.db2.gz QTIKQQREXQCDRE-UHFFFAOYSA-N 0 1 258.285 1.338 10 30 CDEEMN C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000879965347 777278006 /nfs/dbraw/zinc/27/80/06/777278006.db2.gz GJFPCCQSYGALMC-NWDGAFQWSA-N 0 1 255.358 1.587 10 30 CDEEMN C=CC[C@H](C(=O)OC)N1CCC[C@H](C(C)(C)O)C1 ZINC000879965347 777278013 /nfs/dbraw/zinc/27/80/13/777278013.db2.gz GJFPCCQSYGALMC-NWDGAFQWSA-N 0 1 255.358 1.587 10 30 CDEEMN C[C@@H]1C[C@@H](NC(=O)[C@H]2NCCc3cc(C#N)ccc32)CCO1 ZINC000867980566 777358866 /nfs/dbraw/zinc/35/88/66/777358866.db2.gz WUTIJWZHVZZXOH-WPGHFRTFSA-N 0 1 299.374 1.429 10 30 CDEEMN C#CCN(CCO[C@@H]1CCOC1)Cc1ccccc1 ZINC000930477004 777521320 /nfs/dbraw/zinc/52/13/20/777521320.db2.gz WQBVJHGPORENEF-MRXNPFEDSA-N 0 1 259.349 1.927 10 30 CDEEMN C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCc2ccccc21 ZINC000852726041 777559346 /nfs/dbraw/zinc/55/93/46/777559346.db2.gz UQXHCTLXQBNLJP-HIFRSBDPSA-N 0 1 270.376 1.786 10 30 CDEEMN Cc1ccc(-c2nc(N3CCCC3)[nH]c(=O)c2C#N)o1 ZINC000223966109 777725287 /nfs/dbraw/zinc/72/52/87/777725287.db2.gz GRYWKVMVPDJUOF-UHFFFAOYSA-N 0 1 270.292 1.810 10 30 CDEEMN C#C[C@@H]1CCCN([C@H](C)C(=O)NCCCOCC)C1 ZINC000847024522 777735442 /nfs/dbraw/zinc/73/54/42/777735442.db2.gz RATIENGGTZWHAO-ZIAGYGMSSA-N 0 1 266.385 1.263 10 30 CDEEMN C#CC1(O)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000931150744 777842059 /nfs/dbraw/zinc/84/20/59/777842059.db2.gz HTBBHNAGJCWUEB-CQSZACIVSA-N 0 1 290.319 1.088 10 30 CDEEMN C(CN1CCCCC1)NN=C1COC2(CCC2)C1 ZINC000853291318 777862044 /nfs/dbraw/zinc/86/20/44/777862044.db2.gz GLYIIARXHFQHDT-UHFFFAOYSA-N 0 1 251.374 1.761 10 30 CDEEMN CCO[C@@H]1C[C@H](NCc2ccc(C#N)cn2)[C@@H]1SC ZINC000839031108 777947924 /nfs/dbraw/zinc/94/79/24/777947924.db2.gz YQQHZKYZKYDQFS-MJBXVCDLSA-N 0 1 277.393 1.952 10 30 CDEEMN C#CCN1CCC(NC(=O)c2cc(OC)cnc2F)CC1 ZINC000928648920 777961254 /nfs/dbraw/zinc/96/12/54/777961254.db2.gz VEARZNMFERMWAK-UHFFFAOYSA-N 0 1 291.326 1.057 10 30 CDEEMN N#C[C@H]1CNC[C@H]1NC(=O)Nc1cncc(C(F)F)c1 ZINC000868208330 778341787 /nfs/dbraw/zinc/34/17/87/778341787.db2.gz PVKMXCDUVWPZQA-WCBMZHEXSA-N 0 1 281.266 1.252 10 30 CDEEMN C=C(C)CN(CC)C(=O)CN1CCC2(CC1)COCCO2 ZINC000880541427 778396441 /nfs/dbraw/zinc/39/64/41/778396441.db2.gz WWZRCPYWRCHMML-UHFFFAOYSA-N 0 1 296.411 1.292 10 30 CDEEMN CCc1ccc(C(=O)CCC(=O)N[C@@H]2CNC[C@H]2C#N)cc1 ZINC000834506692 778812818 /nfs/dbraw/zinc/81/28/18/778812818.db2.gz VBTNYRYBUQRTSV-HUUCEWRRSA-N 0 1 299.374 1.440 10 30 CDEEMN C=C1CCN(C(=O)c2cc(Br)[nH]n2)CC1 ZINC000826549619 778829281 /nfs/dbraw/zinc/82/92/81/778829281.db2.gz KDPILDOLXSCROB-UHFFFAOYSA-N 0 1 270.130 1.964 10 30 CDEEMN C#CCSCCN[C@@H](C)c1cn(CCC)nn1 ZINC000715854926 778893372 /nfs/dbraw/zinc/89/33/72/778893372.db2.gz MEWARBSRRGLIPI-NSHDSACASA-N 0 1 252.387 1.705 10 30 CDEEMN C[C@@H]1CN=C(NN=Cc2cccc3cnccc23)N1 ZINC000782907552 778905946 /nfs/dbraw/zinc/90/59/46/778905946.db2.gz IAIYBQYEKMXXSR-SNVBAGLBSA-N 0 1 253.309 1.506 10 30 CDEEMN C#CCN1CCC(NC(=O)c2cccn(C3CC3)c2=O)CC1 ZINC000928660104 778951643 /nfs/dbraw/zinc/95/16/43/778951643.db2.gz HPJPTKNJHSQDAT-UHFFFAOYSA-N 0 1 299.374 1.011 10 30 CDEEMN CCCn1nc(C)c(C=NNc2nnc(C)n2C)c1C ZINC000853432895 778980989 /nfs/dbraw/zinc/98/09/89/778980989.db2.gz OBJOIKZVCSZTEG-UHFFFAOYSA-N 0 1 275.360 1.793 10 30 CDEEMN CC[C@@H](O)CNN=Cc1cn(-c2ccncc2)nc1C ZINC000811652221 779036358 /nfs/dbraw/zinc/03/63/58/779036358.db2.gz DSIBSHARTWDWDX-CQSZACIVSA-N 0 1 273.340 1.270 10 30 CDEEMN CC(C)CN(CCC#N)C[C@@H]1CCC2(COC2)O1 ZINC000929687920 779078468 /nfs/dbraw/zinc/07/84/68/779078468.db2.gz KWXKAALZPRWGGG-ZDUSSCGKSA-N 0 1 252.358 1.806 10 30 CDEEMN CCON(C)C(=O)CNCc1c(C)cc(C#N)cc1C ZINC000922220456 779089929 /nfs/dbraw/zinc/08/99/29/779089929.db2.gz WDKSKEJXFPREJK-UHFFFAOYSA-N 0 1 275.352 1.675 10 30 CDEEMN C#CCNC(=O)CN[C@H](C)c1cc2cnccc2o1 ZINC000879712495 779216906 /nfs/dbraw/zinc/21/69/06/779216906.db2.gz QQEKFUJCLJIHDF-SNVBAGLBSA-N 0 1 257.293 1.228 10 30 CDEEMN COc1c(C)[nH]cc(CN(C)CC2(CC#N)CC2)c1=O ZINC000931327254 779245951 /nfs/dbraw/zinc/24/59/51/779245951.db2.gz SFEWYKLBEWNRDU-UHFFFAOYSA-N 0 1 275.352 1.818 10 30 CDEEMN N#Cc1ccc2c(c1)CCN[C@@H]2C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000867979944 779274771 /nfs/dbraw/zinc/27/47/71/779274771.db2.gz LUVBWBUCYXSPJZ-FQLMCAECSA-N 0 1 281.359 1.660 10 30 CDEEMN CC(C)(C)N1CC[C@@](F)(C(=O)N[C@]2(C#N)CCSC2)C1 ZINC000810119927 779274835 /nfs/dbraw/zinc/27/48/35/779274835.db2.gz YMHSIRQWAVLPDO-KBPBESRZSA-N 0 1 299.415 1.714 10 30 CDEEMN N#Cc1cncc(COC(=O)[C@H]2CCCc3[nH]ncc32)c1 ZINC000922522097 779299011 /nfs/dbraw/zinc/29/90/11/779299011.db2.gz AGVACTYILNYYHP-LBPRGKRZSA-N 0 1 282.303 1.840 10 30 CDEEMN C#CCN1CCC(NC(=O)CC(C)(C)CC(=O)OC)CC1 ZINC000928655169 779340782 /nfs/dbraw/zinc/34/07/82/779340782.db2.gz RQJAQLTWSPUTID-UHFFFAOYSA-N 0 1 294.395 1.180 10 30 CDEEMN N#Cc1ccc(CNCCOC2CCOCC2)c(F)c1 ZINC000922929562 779365508 /nfs/dbraw/zinc/36/55/08/779365508.db2.gz KENOCLYOCCHXGL-UHFFFAOYSA-N 0 1 278.327 1.983 10 30 CDEEMN C#CCN1CCC(NC(=O)NC[C@]2(C)CC2(C)C)CC1 ZINC000924001731 779446099 /nfs/dbraw/zinc/44/60/99/779446099.db2.gz YJUAWHOFDFUVQI-INIZCTEOSA-N 0 1 277.412 1.819 10 30 CDEEMN Nc1ccc2c(c1)CCC2=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000834966994 779596372 /nfs/dbraw/zinc/59/63/72/779596372.db2.gz WPUFVLMSWQTCFN-GASCZTMLSA-N 0 1 283.379 1.779 10 30 CDEEMN CCOC(=O)/C=C/CN(C)C[C@H](O)c1cccc(C#N)c1 ZINC000930845334 779715824 /nfs/dbraw/zinc/71/58/24/779715824.db2.gz NSXQGZAZBKDVBI-PXTSUWAFSA-N 0 1 288.347 1.643 10 30 CDEEMN N#Cc1ccc([C@H](N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)C(N)=O)cc1 ZINC000871907145 779769091 /nfs/dbraw/zinc/76/90/91/779769091.db2.gz TUXIOKXUNQQXCF-XBORSJSESA-N 0 1 297.358 1.098 10 30 CDEEMN N#Cc1ccc(CNCc2cccc3nccn32)nc1 ZINC000780555857 779821041 /nfs/dbraw/zinc/82/10/41/779821041.db2.gz JWANNLJBFPJFBZ-UHFFFAOYSA-N 0 1 263.304 1.891 10 30 CDEEMN CCN1C[C@@H](CNC2(c3cccc(C#N)c3)CC2)OC1=O ZINC000846845908 779842635 /nfs/dbraw/zinc/84/26/35/779842635.db2.gz PMHIMIOHNZHKQC-CQSZACIVSA-N 0 1 285.347 1.978 10 30 CDEEMN C#Cc1ccc(CNC(=O)NC[C@@H]2CCN2C)cc1 ZINC000922665771 779953625 /nfs/dbraw/zinc/95/36/25/779953625.db2.gz NCPMNLMFETUAIC-AWEZNQCLSA-N 0 1 257.337 1.171 10 30 CDEEMN Cc1ccc(C#N)cc1NC(=O)NC[C@H]1CCN1C ZINC000930019849 780087044 /nfs/dbraw/zinc/08/70/44/780087044.db2.gz NDMZJGAASALVLJ-GFCCVEGCSA-N 0 1 258.325 1.692 10 30 CDEEMN Cc1ccncc1C=NNC1=N[C@@H]2CCCC[C@@H]2N1 ZINC000794524190 780156981 /nfs/dbraw/zinc/15/69/81/780156981.db2.gz PIBGTLYQJMGAIB-BETUJISGSA-N 0 1 257.341 1.584 10 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290.367 1.463 10 30 CDEEMN C=CCCCN(CC)C(=O)NCC#CCN(C)C ZINC001565497498 1168149350 /nfs/dbraw/zinc/14/93/50/1168149350.db2.gz PLNGTIRDAVKZKG-UHFFFAOYSA-N 0 1 251.374 1.549 10 30 CDEEMN C#CCCN1CC[C@@H]1CN(C)C(=O)CC(F)(F)C(F)F ZINC001565826050 1168176326 /nfs/dbraw/zinc/17/63/26/1168176326.db2.gz DIOKDQUPENNWTG-SNVBAGLBSA-N 0 1 294.292 1.833 10 30 CDEEMN C=CC(C)(C)CC(=O)NCCCN(C)[C@H]1CCN(C)C1=O ZINC001566457899 1168284222 /nfs/dbraw/zinc/28/42/22/1168284222.db2.gz FCJVSNIYPDLWAA-ZDUSSCGKSA-N 0 1 295.427 1.258 10 30 CDEEMN C=CCN1CC[C@H](NC(=O)C2(COCC)CC2)C1 ZINC001566666679 1168380252 /nfs/dbraw/zinc/38/02/52/1168380252.db2.gz MNCJWJQQOHENSM-LBPRGKRZSA-N 0 1 252.358 1.180 10 30 CDEEMN C#CCN1CCC(N(CCC)C(=O)c2n[nH]cc2F)CC1 ZINC001566699543 1168390212 /nfs/dbraw/zinc/39/02/12/1168390212.db2.gz HFDSKJYQCFXVQR-UHFFFAOYSA-N 0 1 292.358 1.499 10 30 CDEEMN C=CCC(C)(C)C(=O)NC[C@H](C)NCc1cc(C)ncn1 ZINC001567057494 1168539273 /nfs/dbraw/zinc/53/92/73/1168539273.db2.gz JOIMXYBYPSNCNS-ZDUSSCGKSA-N 0 1 290.411 1.982 10 30 CDEEMN C#CCCN1CC[C@@H]1CNC(=O)CCn1cccc1 ZINC001483688420 912751812 /nfs/dbraw/zinc/75/18/12/912751812.db2.gz DOZDGKGWQXLCIF-CQSZACIVSA-N 0 1 259.353 1.092 10 30 CDEEMN C=CCCC(=O)NCC1(NCc2cccnc2OC)CC1 ZINC001483721382 913078827 /nfs/dbraw/zinc/07/88/27/913078827.db2.gz VEMYWCAVEWDWQZ-UHFFFAOYSA-N 0 1 289.379 1.795 10 30 CDEEMN C=CCOCC(=O)NC[C@H]1CCN(Cc2cnc(C)o2)C1 ZINC001567395976 1168728425 /nfs/dbraw/zinc/72/84/25/1168728425.db2.gz UJXWQUHYEPUMMN-CYBMUJFWSA-N 0 1 293.367 1.124 10 30 CDEEMN C#CCN(CCNC(=O)c1ccc2c(c1)COC2)C1CC1 ZINC001567451040 1168769666 /nfs/dbraw/zinc/76/96/66/1168769666.db2.gz ANCBOZGNLQISIF-UHFFFAOYSA-N 0 1 284.359 1.544 10 30 CDEEMN CC#CCN(C)CCNC(=O)[C@@H]1CCC[C@@H](F)C1 ZINC001266275049 894050934 /nfs/dbraw/zinc/05/09/34/894050934.db2.gz LAERDAHBXYCQKY-CHWSQXEVSA-N 0 1 254.349 1.586 10 30 CDEEMN C=CCOCCN1CC[C@H](NC(=O)C2(CCC)CC2)C1 ZINC001266341858 894452025 /nfs/dbraw/zinc/45/20/25/894452025.db2.gz MVYKJKSRDVAGCK-AWEZNQCLSA-N 0 1 280.412 1.960 10 30 CDEEMN CC#CCN(C)CCNC(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC001266342234 894454625 /nfs/dbraw/zinc/45/46/25/894454625.db2.gz KWJAWMDQMWEOHX-HKUYNNGSSA-N 0 1 296.414 1.962 10 30 CDEEMN CC#CC[N@@H+](CC)CCNC(=O)c1ccc(C)n1C ZINC001266375237 894624814 /nfs/dbraw/zinc/62/48/14/894624814.db2.gz LYCGBPFBFSACAZ-UHFFFAOYSA-N 0 1 261.369 1.409 10 30 CDEEMN CC#CCN(CC)CCNC(=O)c1ccc(C)n1C ZINC001266375237 894624821 /nfs/dbraw/zinc/62/48/21/894624821.db2.gz LYCGBPFBFSACAZ-UHFFFAOYSA-N 0 1 261.369 1.409 10 30 CDEEMN CC#CCN(CC)CCNC(=O)c1conc1C(C)C ZINC001266394504 894669119 /nfs/dbraw/zinc/66/91/19/894669119.db2.gz RYOKUPWQFKMFHJ-UHFFFAOYSA-N 0 1 277.368 1.873 10 30 CDEEMN CCN(CC#CCOC)CCNC(=O)[C@H]1CC[C@H](F)C1 ZINC001266411548 894752776 /nfs/dbraw/zinc/75/27/76/894752776.db2.gz YXOZZYQDQNDDFV-KBPBESRZSA-N 0 1 284.375 1.213 10 30 CDEEMN CCN(CC#CCOC)CCNC(=O)[C@@H]1CC[C@@H](F)C1 ZINC001266411551 894753146 /nfs/dbraw/zinc/75/31/46/894753146.db2.gz YXOZZYQDQNDDFV-ZIAGYGMSSA-N 0 1 284.375 1.213 10 30 CDEEMN C#CCCCC(=O)N(C)CCNCc1ncccc1C ZINC001567487723 1168802024 /nfs/dbraw/zinc/80/20/24/1168802024.db2.gz IOGGLBUEPVSFRM-UHFFFAOYSA-N 0 1 273.380 1.742 10 30 CDEEMN C#CCN1CCC[C@@H]1CNC(=O)C1(c2ccccn2)CC1 ZINC001266465618 894989896 /nfs/dbraw/zinc/98/98/96/894989896.db2.gz YQAOQZADCZWAHL-CQSZACIVSA-N 0 1 283.375 1.327 10 30 CDEEMN C=CCCOCC(=O)NC[C@H]1CCN(C/C=C\Cl)C1 ZINC001266551759 895333274 /nfs/dbraw/zinc/33/32/74/895333274.db2.gz YWXHGNSOGSHRPF-RYWCDNDXSA-N 0 1 286.803 1.770 10 30 CDEEMN C#CCN(CCNC(=O)c1ccnc(C)c1)C1CC1 ZINC001266615297 895581946 /nfs/dbraw/zinc/58/19/46/895581946.db2.gz GVFACPNNVWVALJ-UHFFFAOYSA-N 0 1 257.337 1.217 10 30 CDEEMN C#CCCCCC(=O)N(C)CCNCc1ccccn1 ZINC001266681398 895813285 /nfs/dbraw/zinc/81/32/85/895813285.db2.gz SRJJXPMHNKIMML-UHFFFAOYSA-N 0 1 273.380 1.823 10 30 CDEEMN C#CCN(C)CCNC(=O)[C@H](C)OCc1cccc(C)c1 ZINC001480895576 896255266 /nfs/dbraw/zinc/25/52/66/896255266.db2.gz CBPTWISSOIQBOF-HNNXBMFYSA-N 0 1 288.391 1.581 10 30 CDEEMN 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293.411 1.083 10 30 CDEEMN CC#CCN(C)C[C@H](C)NC(=O)c1cnc(C)s1 ZINC001498241740 973774338 /nfs/dbraw/zinc/77/43/38/973774338.db2.gz KTIHPCQJBHQINS-JTQLQIEISA-N 0 1 265.382 1.525 10 30 CDEEMN Cc1ncsc1CN(C)C[C@H](C)NC(=O)[C@@H](C)C#N ZINC001498246825 973779764 /nfs/dbraw/zinc/77/97/64/973779764.db2.gz KFPVLPUHCPETGU-UWVGGRQHSA-N 0 1 280.397 1.548 10 30 CDEEMN CC#CCN(C)C[C@@H](C)NC(=O)c1cc2cnccc2o1 ZINC001498328946 973832983 /nfs/dbraw/zinc/83/29/83/973832983.db2.gz GDBZTWRJQHFQCE-GFCCVEGCSA-N 0 1 285.347 1.901 10 30 CDEEMN C=C1CC(C)(C(=O)N[C@H](C)CN(C)[C@@H](CC)C(N)=O)C1 ZINC001498376807 973870300 /nfs/dbraw/zinc/87/03/00/973870300.db2.gz MKOUMECGBKTUMA-NEPJUHHUSA-N 0 1 281.400 1.043 10 30 CDEEMN Cc1ncoc1CNC[C@@H](CC(C)C)NC(=O)[C@H](C)C#N ZINC001374341296 973900332 /nfs/dbraw/zinc/90/03/32/973900332.db2.gz XAQHTYIAOFMCNT-DGCLKSJQSA-N 0 1 292.383 1.763 10 30 CDEEMN C=C(C)CCC(=O)NC[C@@H]1CCN1CCC[C@H](C)O ZINC001498985075 974150926 /nfs/dbraw/zinc/15/09/26/974150926.db2.gz COSOQJPOOJSAHG-KBPBESRZSA-N 0 1 268.401 1.694 10 30 CDEEMN C#CCCN1CC[C@H]1CNC(=O)C[C@H](C)C(F)(F)F ZINC001499050430 974170581 /nfs/dbraw/zinc/17/05/81/974170581.db2.gz OIPXAUMOQCOCFI-QWRGUYRKSA-N 0 1 276.302 1.789 10 30 CDEEMN C#CCCN1CC[C@@H]1CNC(=O)Cc1cccc(C)c1 ZINC001499051360 974171126 /nfs/dbraw/zinc/17/11/26/974171126.db2.gz UGOSJMBBPOUBLT-MRXNPFEDSA-N 0 1 270.376 1.751 10 30 CDEEMN C=C1CCC(C(=O)NC[C@H]2CCN2CCOCC)CC1 ZINC001499058283 974174677 /nfs/dbraw/zinc/17/46/77/974174677.db2.gz UQAOIPDMGNBJSE-OAHLLOKOSA-N 0 1 280.412 1.960 10 30 CDEEMN C#CCN1C[C@@H]2CCCN(C(=O)[C@H](C)CCC)[C@@H]2C1 ZINC001501415184 974580800 /nfs/dbraw/zinc/58/08/00/974580800.db2.gz APMYQTWRPYXYOK-QLFBSQMISA-N 0 1 262.397 1.979 10 30 CDEEMN N#CCNC[C@H]1CCCCN1C(=O)c1cccc2n[nH]cc21 ZINC001501884354 974652224 /nfs/dbraw/zinc/65/22/24/974652224.db2.gz PENSVLGOHNXLMQ-GFCCVEGCSA-N 0 1 297.362 1.671 10 30 CDEEMN C#CCN(C)C[C@H]1CCCN1C(=O)COC(C)(C)C ZINC001505427688 974875335 /nfs/dbraw/zinc/87/53/35/974875335.db2.gz NMZMOGKPFRPHFH-CYBMUJFWSA-N 0 1 266.385 1.358 10 30 CDEEMN CC#CCN(C)C[C@@H]1CCCN1C(=O)[C@@H](F)C(C)C ZINC001505442132 974882116 /nfs/dbraw/zinc/88/21/16/974882116.db2.gz QRVWHAGQOXNZDA-KBPBESRZSA-N 0 1 268.376 1.927 10 30 CDEEMN C=C(Cl)CN[C@H](C)[C@@H](C)NC(=O)C(C)(F)F ZINC001505544872 974906537 /nfs/dbraw/zinc/90/65/37/974906537.db2.gz QTPIOXZBQWPZOP-HTQZYQBOSA-N 0 1 254.708 1.877 10 30 CDEEMN C=CCCC(=O)N[C@@H](C)[C@@H](C)NCc1cc2n(n1)CCC2 ZINC001505574422 974918221 /nfs/dbraw/zinc/91/82/21/974918221.db2.gz HZUDDAFVCUOHKU-OLZOCXBDSA-N 0 1 290.411 1.778 10 30 CDEEMN C#CCN(C)[C@@H](C)CNC(=O)c1cncc2[nH]ccc21 ZINC001505955513 975060047 /nfs/dbraw/zinc/06/00/47/975060047.db2.gz XPTXCGTWVBBTBT-NSHDSACASA-N 0 1 270.336 1.246 10 30 CDEEMN CC#CCN(C)C[C@H](O)CN(C)C(=O)[C@@]12C[C@@H]1CCCC2 ZINC001507696323 975527876 /nfs/dbraw/zinc/52/78/76/975527876.db2.gz FOIYOIZKVBASGT-ZOBUZTSGSA-N 0 1 292.423 1.341 10 30 CDEEMN CC[C@@H]1C[C@H]1C(=O)NCC1=CCN(CC#CCOC)CC1 ZINC001508221077 975642326 /nfs/dbraw/zinc/64/23/26/975642326.db2.gz WWXNQCZXXWIMTF-HZPDHXFCSA-N 0 1 290.407 1.431 10 30 CDEEMN CCN(CCN[C@@H](C)c1cnc(C)cn1)C(=O)[C@H](C)C#N ZINC001379302252 975751630 /nfs/dbraw/zinc/75/16/30/975751630.db2.gz ZGTPUMDCVCSRJL-YPMHNXCESA-N 0 1 289.383 1.444 10 30 CDEEMN Cc1cccc(CN2CC[C@H]2CNC(=O)[C@@H](C)C#N)c1 ZINC001401887319 975977279 /nfs/dbraw/zinc/97/72/79/975977279.db2.gz XFUCWPBYIIEPRY-ZFWWWQNUSA-N 0 1 271.364 1.845 10 30 CDEEMN C=C(Cl)CNC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001406532709 976241145 /nfs/dbraw/zinc/24/11/45/976241145.db2.gz YPNPTGPBBUXQOU-QJPTWQEYSA-N 0 1 296.802 1.370 10 30 CDEEMN CC(C)CCN1CC2(C1)C[C@H](NC(=O)[C@H](C)C#N)CO2 ZINC001381011692 976645682 /nfs/dbraw/zinc/64/56/82/976645682.db2.gz ZIMIRHFKOKFKIH-OLZOCXBDSA-N 0 1 279.384 1.152 10 30 CDEEMN C=C(C)CCC(=O)NCCN(CC)[C@H](C)c1n[nH]c(C)n1 ZINC001492963151 976666284 /nfs/dbraw/zinc/66/62/84/976666284.db2.gz RPFSRECPPCRGMY-GFCCVEGCSA-N 0 1 293.415 1.969 10 30 CDEEMN C[C@@H](C#N)C(=O)N1CCN(CC2CC3(CCC3)C2)CC1 ZINC001381085411 976670588 /nfs/dbraw/zinc/67/05/88/976670588.db2.gz YJXYRQMZBFGZMB-ZDUSSCGKSA-N 0 1 275.396 1.871 10 30 CDEEMN C[C@@H](NCc1ccccc1C#N)[C@H](C)NC(=O)C(F)F ZINC001381347491 976770762 /nfs/dbraw/zinc/77/07/62/976770762.db2.gz ILJDXFLKQSSAFB-ZJUUUORDSA-N 0 1 281.306 1.806 10 30 CDEEMN C=C(Cl)CN[C@H](C)[C@@H](C)NC(=O)c1[nH]cnc1C ZINC001381437951 976822568 /nfs/dbraw/zinc/82/25/68/976822568.db2.gz AEKRAOLDFHERJX-RKDXNWHRSA-N 0 1 270.764 1.567 10 30 CDEEMN C=C(Cl)CNC[C@H]1CCCN1C(=O)COCC(F)F ZINC001391858971 977119313 /nfs/dbraw/zinc/11/93/13/977119313.db2.gz VJIDQCPWLLTUTP-SNVBAGLBSA-N 0 1 296.745 1.601 10 30 CDEEMN C=C(Cl)CNC[C@H](C)NC(=O)C(C)(C)c1c[nH]cn1 ZINC001392609015 977502418 /nfs/dbraw/zinc/50/24/18/977502418.db2.gz XGYYQHNNDJZYED-JTQLQIEISA-N 0 1 284.791 1.534 10 30 CDEEMN C#CCN(C)CCNC(=O)C[C@H]1OCCc2ccccc21 ZINC001492816511 977650264 /nfs/dbraw/zinc/65/02/64/977650264.db2.gz CFQZYDHOLBALDJ-MRXNPFEDSA-N 0 1 286.375 1.372 10 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281.312 1.160 10 30 CDEEMN C#CCN(C)CCN(C(=O)[C@H]1CCCOC1)C(C)C ZINC001677191912 1174331032 /nfs/dbraw/zinc/33/10/32/1174331032.db2.gz VBQLWMUCSVRHFG-AWEZNQCLSA-N 0 1 266.385 1.215 10 30 CDEEMN C=CCN1CCC[C@@](CO)(NC(=O)[C@@H](CC(C)C)OC)C1 ZINC001569898587 1170033973 /nfs/dbraw/zinc/03/39/73/1170033973.db2.gz PHNPISKTDNTAAV-GDBMZVCRSA-N 0 1 298.427 1.177 10 30 CDEEMN CC#CCN1CC[C@H]2[C@H]1CCCN2C(=O)CCCC(C)=O ZINC001569904529 1170035366 /nfs/dbraw/zinc/03/53/66/1170035366.db2.gz LWHKPWDKKUAADJ-CVEARBPZSA-N 0 1 290.407 1.834 10 30 CDEEMN N#Cc1ccc(CNC(=O)c2cnncc2O)s1 ZINC001570458370 1170162176 /nfs/dbraw/zinc/16/21/76/1170162176.db2.gz RCYUCGNNSFTGJM-UHFFFAOYSA-N 0 1 260.278 1.045 10 30 CDEEMN C#CCN(C)C[C@H]1CCCN1C(=O)[C@H](OCC)C(C)C ZINC001570529931 1170179506 /nfs/dbraw/zinc/17/95/06/1170179506.db2.gz AJXHPUNHGIHLFW-HUUCEWRRSA-N 0 1 280.412 1.604 10 30 CDEEMN CC#CCN(C)[C@@H](C)CNC(=O)CC1CC(F)(F)C1 ZINC001570720644 1170252154 /nfs/dbraw/zinc/25/21/54/1170252154.db2.gz XAWCZHCPEAHNSK-NSHDSACASA-N 0 1 272.339 1.882 10 30 CDEEMN C=CCC[C@@H](C)N1CC(CCO)(NC(=O)C(C)(C)C)C1 ZINC001570768896 1170276653 /nfs/dbraw/zinc/27/66/53/1170276653.db2.gz TUVIBJXKGADOAP-CYBMUJFWSA-N 0 1 282.428 1.940 10 30 CDEEMN CC(C)C#CC(=O)N(C)C[C@@H](O)CN(C)C/C=C\Cl ZINC001571601727 1170491729 /nfs/dbraw/zinc/49/17/29/1170491729.db2.gz QTJLHWDSTMLQBN-UJZCVKTISA-N 0 1 286.803 1.149 10 30 CDEEMN C=CCCCC(=O)N(C)C[C@H](O)CN(C)CC#CC ZINC001571604829 1170491638 /nfs/dbraw/zinc/49/16/38/1170491638.db2.gz HHSSACHVOJLMGH-CQSZACIVSA-N 0 1 266.385 1.117 10 30 CDEEMN C=CCNC(=O)CN1CCC(C2(NC(=O)CC)CC2)CC1 ZINC001571667013 1170515722 /nfs/dbraw/zinc/51/57/22/1170515722.db2.gz BNPQFXMMIXVQQT-UHFFFAOYSA-N 0 1 293.411 1.059 10 30 CDEEMN C#CCN1CC=C(CNC(=O)[C@H](OC)C(C)C)CC1 ZINC001571694532 1170526235 /nfs/dbraw/zinc/52/62/35/1170526235.db2.gz MHINGVXQCXZKBM-CQSZACIVSA-N 0 1 264.369 1.039 10 30 CDEEMN C=CCCC(=O)N[C@@H](C)C[C@H](C)NC(=O)c1[nH]ncc1F ZINC001572636385 1170625335 /nfs/dbraw/zinc/62/53/35/1170625335.db2.gz XSOSKXIHCHIBIY-UWVGGRQHSA-N 0 1 296.346 1.528 10 30 CDEEMN C=C(C)CCC(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1cnn[nH]1 ZINC001572644451 1170625796 /nfs/dbraw/zinc/62/57/96/1170625796.db2.gz VRMRLYRYOVTLRI-WDEREUQCSA-N 0 1 293.371 1.174 10 30 CDEEMN C=C(C)C(C)(C)C(=O)NCCNC(=O)c1[nH]nc(C)c1C ZINC001574977871 1171072155 /nfs/dbraw/zinc/07/21/55/1171072155.db2.gz HOJGTQVSMUVOSR-UHFFFAOYSA-N 0 1 292.383 1.475 10 30 CDEEMN C#CCCOC(=O)NCc1n[nH]c(-c2ccccc2)n1 ZINC001653939051 1171578008 /nfs/dbraw/zinc/57/80/08/1171578008.db2.gz BVZYVOMKSAEKKI-UHFFFAOYSA-N 0 1 270.292 1.721 10 30 CDEEMN C#CCCOC(=O)NCc1nc(-c2ccccc2)n[nH]1 ZINC001653939051 1171578012 /nfs/dbraw/zinc/57/80/12/1171578012.db2.gz BVZYVOMKSAEKKI-UHFFFAOYSA-N 0 1 270.292 1.721 10 30 CDEEMN CN(CC#N)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCCN1C ZINC001657070970 1171923886 /nfs/dbraw/zinc/92/38/86/1171923886.db2.gz LYEJNSFFHIXOKH-GJZGRUSLSA-N 0 1 292.427 1.307 10 30 CDEEMN Cn1cc(C#N)c(=NC(=O)N[C@@H]2CCCC2(F)F)[nH]1 ZINC000588259653 342494947 /nfs/dbraw/zinc/49/49/47/342494947.db2.gz CBOXPLPMRSVVJS-MRVPVSSYSA-N 0 1 269.255 1.023 10 30 CDEEMN C=C[C@H](N[C@@H]1CCN(C)[C@H]1c1ccccc1)C(=O)OC ZINC000589267938 342502425 /nfs/dbraw/zinc/50/24/25/342502425.db2.gz PXOZAYSZNITDRT-ZNMIVQPWSA-N 0 1 274.364 1.749 10 30 CDEEMN CC(C)c1nc([C@H](C)NC(=O)CC2(C#N)CC2)n[nH]1 ZINC000590319154 342533517 /nfs/dbraw/zinc/53/35/17/342533517.db2.gz DAUGBRSXINYYAU-VIFPVBQESA-N 0 1 261.329 1.799 10 30 CDEEMN COC(=O)[C@]1(NC(=O)C(C)C#N)CCCC(C)(C)C1 ZINC000600280787 342001959 /nfs/dbraw/zinc/00/19/59/342001959.db2.gz IZSMXMYTNFOSMJ-YGRLFVJLSA-N 0 1 266.341 1.774 10 30 CDEEMN Cc1cc(C[C@@H](C)NC(=O)C2(C#N)CC3(CC3)C2)n[nH]1 ZINC000601339869 342555656 /nfs/dbraw/zinc/55/56/56/342555656.db2.gz IFLXILQMGUVWMX-SNVBAGLBSA-N 0 1 272.352 1.849 10 30 CDEEMN N#CCC1(CNS(=O)(=O)c2cc(O)cc(F)c2)CC1 ZINC000601409153 342560590 /nfs/dbraw/zinc/56/05/90/342560590.db2.gz YQMIZHIUGIUVFH-UHFFFAOYSA-N 0 1 284.312 1.503 10 30 CDEEMN 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CDEEMN C[C@H](C#N)CN(C)C(=O)c1cc(Br)[nH]n1 ZINC000798160015 821351660 /nfs/dbraw/zinc/35/16/60/821351660.db2.gz AMAFGKNHWDMQAV-ZCFIWIBFSA-N 0 1 271.118 1.404 10 30 CDEEMN N#C[C@@H]1CNC[C@@H]1NC(=O)c1cc(F)cc2ccncc21 ZINC000846676257 821364910 /nfs/dbraw/zinc/36/49/10/821364910.db2.gz BYWRDSNZTFSVMT-YGRLFVJLSA-N 0 1 284.294 1.215 10 30 CDEEMN CN1CCC(C#N)(NC(=O)C[C@@H]2Cc3ccccc3O2)CC1 ZINC000865199998 821591364 /nfs/dbraw/zinc/59/13/64/821591364.db2.gz YPFUELFYLUMWFX-AWEZNQCLSA-N 0 1 299.374 1.484 10 30 CDEEMN COC[C@H](CON=C(N)c1ccc(N(C)C)cc1)OC ZINC000853656937 821760106 /nfs/dbraw/zinc/76/01/06/821760106.db2.gz HHTBKJXJZFHGKP-CYBMUJFWSA-N 0 1 281.356 1.051 10 30 CDEEMN COC1(OC)CCN(Cc2ccc(C)c(C#N)c2)C[C@@H]1O ZINC000931632757 821839068 /nfs/dbraw/zinc/83/90/68/821839068.db2.gz YCTOOYGDZBWCBX-HNNXBMFYSA-N 0 1 290.363 1.422 10 30 CDEEMN C#CC[C@@H]1CCN(C(=O)c2cnccc2N(C)C)C1 ZINC000862572500 821841052 /nfs/dbraw/zinc/84/10/52/821841052.db2.gz IYEXDSRMELPYNK-GFCCVEGCSA-N 0 1 257.337 1.633 10 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C=CCN1CCC(CO)(NC(=O)C2CC3(CCC3)C2)CC1 ZINC001700338682 1176858066 /nfs/dbraw/zinc/85/80/66/1176858066.db2.gz QATPCHNTTLKGGM-UHFFFAOYSA-N 0 1 292.423 1.696 10 30 CDEEMN COCC#CCN(C)C[C@H]1CCCN1C(=O)c1ccco1 ZINC001700348877 1176862299 /nfs/dbraw/zinc/86/22/99/1176862299.db2.gz DVJPCRFFYHZQCQ-CQSZACIVSA-N 0 1 290.363 1.466 10 30 CDEEMN C=CC(C)(C)C(=O)N1CCC[C@H]1CN(C)[C@H](C)C(=O)NC ZINC001700358048 1176870484 /nfs/dbraw/zinc/87/04/84/1176870484.db2.gz ZOCKXENAPKEOFS-OLZOCXBDSA-N 0 1 295.427 1.256 10 30 CDEEMN C#CCN(C)C[C@H]1CCCN1C(=O)c1cc(C)nn1CC ZINC001700359788 1176873061 /nfs/dbraw/zinc/87/30/61/1176873061.db2.gz UOJXHINKBZHQHP-CQSZACIVSA-N 0 1 288.395 1.381 10 30 CDEEMN CC#CCN(C)[C@@H](C)CNC(=O)[C@@H](CC)SC ZINC001700457491 1176947014 /nfs/dbraw/zinc/94/70/14/1176947014.db2.gz RGTGYUNJBGLDII-NWDGAFQWSA-N 0 1 256.415 1.588 10 30 CDEEMN C#CCN(C)[C@H](C)CNC(=O)[C@@H]1Cc2ccccc2O1 ZINC001700467624 1176956923 /nfs/dbraw/zinc/95/69/23/1176956923.db2.gz QADZSFOZBTYMFP-DOMZBBRYSA-N 0 1 272.348 1.060 10 30 CDEEMN C#CCN(C)[C@@H](C)CNC(=O)CCCc1nc(CC)no1 ZINC001700489237 1176977162 /nfs/dbraw/zinc/97/71/62/1176977162.db2.gz PRHLEDNLPAQMGW-LBPRGKRZSA-N 0 1 292.383 1.024 10 30 CDEEMN C=CCCOCC(=O)N[C@H]1C[N@H+](C[C@@H](C)OC)CC1(C)C ZINC001700574920 1177023691 /nfs/dbraw/zinc/02/36/91/1177023691.db2.gz CKYFLASSXIBIAA-KGLIPLIRSA-N 0 1 298.427 1.441 10 30 CDEEMN C=CCCCC(=O)NC[C@@H](CC)NC(=O)[C@H]1CCCN1C ZINC001704678684 1177763002 /nfs/dbraw/zinc/76/30/02/1177763002.db2.gz WDPGMPOZOFUFAB-ZIAGYGMSSA-N 0 1 295.427 1.448 10 30 CDEEMN C=C(C)CN1CC[C@H]1CN(C)C(=O)CCc1cncnc1 ZINC001707048338 1177925379 /nfs/dbraw/zinc/92/53/79/1177925379.db2.gz YXSADMWKBXDKJW-HNNXBMFYSA-N 0 1 288.395 1.518 10 30 CDEEMN C#CCN(C)C[C@@H]1CCCCN1C(=O)c1ccccn1 ZINC001707268923 1177987257 /nfs/dbraw/zinc/98/72/57/1177987257.db2.gz FBNYCBUZGWIJCS-AWEZNQCLSA-N 0 1 271.364 1.641 10 30 CDEEMN C=CCOCC(=O)N[C@H]1C[C@@H](NCc2ccccc2C#N)C1 ZINC001713188888 1178419471 /nfs/dbraw/zinc/41/94/71/1178419471.db2.gz UFHZVHODDUTPNK-IYBDPMFKSA-N 0 1 299.374 1.498 10 30 CDEEMN CC(=O)NC[C@@H](C)NCC#Cc1ccccc1Cl ZINC001713293692 1178470611 /nfs/dbraw/zinc/47/06/11/1178470611.db2.gz QLYUARRTMWLBJL-LLVKDONJSA-N 0 1 264.756 1.806 10 30 CDEEMN CC#CCN(C)CCNC(=O)c1ncccc1OCCC ZINC001713465284 1178583164 /nfs/dbraw/zinc/58/31/64/1178583164.db2.gz LXAXJUSLVHKGAY-UHFFFAOYSA-N 0 1 289.379 1.555 10 30 CDEEMN C#CCN(C)CCNC(=O)c1cnc([C@H]2CCCO2)s1 ZINC001713469505 1178586278 /nfs/dbraw/zinc/58/62/78/1178586278.db2.gz OIVGFPFWMPJTOD-LLVKDONJSA-N 0 1 293.392 1.289 10 30 CDEEMN C#CCN1CCC[C@H]1CNC(=O)C(C)(C)n1cnc(C)c1 ZINC001713508539 1178617143 /nfs/dbraw/zinc/61/71/43/1178617143.db2.gz LIUJLAWWCYJXNT-AWEZNQCLSA-N 0 1 288.395 1.140 10 30 CDEEMN CC#CCN1CCC[C@@H]1CNC(=O)CCn1cccc1 ZINC001713516838 1178620745 /nfs/dbraw/zinc/62/07/45/1178620745.db2.gz WSDWTMFLAHEIQT-OAHLLOKOSA-N 0 1 273.380 1.482 10 30 CDEEMN C=CCNC(=O)CN1CC[C@H](CNC(=O)C(CC)CC)C1 ZINC001713522532 1178622558 /nfs/dbraw/zinc/62/25/58/1178622558.db2.gz 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/nfs/dbraw/zinc/58/24/46/916582446.db2.gz QDNAJUQGIZXXTD-GHMZBOCLSA-N 0 1 299.212 1.791 10 30 CDEEMN C=CCCCC(=O)N[C@@H](C)[C@@H](C)NCc1nccn1C ZINC001485189051 916647318 /nfs/dbraw/zinc/64/73/18/916647318.db2.gz WZICTQOIBLBVIG-OLZOCXBDSA-N 0 1 278.400 1.759 10 30 CDEEMN C=C1CC(C)(C(=O)N[C@H](C)[C@H](C)NCc2ccn(C)n2)C1 ZINC001485188164 916647566 /nfs/dbraw/zinc/64/75/66/916647566.db2.gz HBPSVOHEFMQHJH-QWHCGFSZSA-N 0 1 290.411 1.759 10 30 CDEEMN C=CCCCC(=O)N[C@H](C)[C@@H](C)NCc1nccn1C ZINC001485189049 916647744 /nfs/dbraw/zinc/64/77/44/916647744.db2.gz WZICTQOIBLBVIG-CHWSQXEVSA-N 0 1 278.400 1.759 10 30 CDEEMN C#Cc1ccc(C(=O)NC[C@@H](C)N(C)CC#CC)cc1 ZINC001485336766 916842223 /nfs/dbraw/zinc/84/22/23/916842223.db2.gz NXXGGTGBTYWJIM-CQSZACIVSA-N 0 1 268.360 1.741 10 30 CDEEMN CC#CCN(C)[C@H](C)CNC(=O)Cn1ncc2ccccc21 ZINC001485363723 916888196 /nfs/dbraw/zinc/88/81/96/916888196.db2.gz IKTJCXRXKLGJON-CQSZACIVSA-N 0 1 298.390 1.496 10 30 CDEEMN C#CCN(C)[C@@H](C)CNC(=O)[C@@H](C)c1cccnc1 ZINC001485377669 916915978 /nfs/dbraw/zinc/91/59/78/916915978.db2.gz PAQKEFJDIOLGDZ-STQMWFEESA-N 0 1 259.353 1.255 10 30 CDEEMN C=CCC(C)(C)C(=O)N[C@@H]1CN(CCO)CC1(C)C ZINC001485578025 917107210 /nfs/dbraw/zinc/10/72/10/917107210.db2.gz QWUYNWKMYNVHGQ-GFCCVEGCSA-N 0 1 268.401 1.408 10 30 CDEEMN C=CCOCC(=O)N1CCc2nc[nH]c2C12CCC2 ZINC000829084779 936402910 /nfs/dbraw/zinc/40/29/10/936402910.db2.gz NBTPZKXVTZJLEC-UHFFFAOYSA-N 0 1 261.325 1.376 10 30 CDEEMN C=CCCCN1CCO[C@H](CNC(=O)c2ccco2)C1 ZINC001568213624 1169184051 /nfs/dbraw/zinc/18/40/51/1169184051.db2.gz VTOXFKDBAIPGCC-CYBMUJFWSA-N 0 1 278.352 1.676 10 30 CDEEMN Cc1ccccc1[C@H](O)CN1CC[C@@](O)(CC#N)C1 ZINC000829974796 936440369 /nfs/dbraw/zinc/44/03/69/936440369.db2.gz JMKDPFOTEGEPBD-CABCVRRESA-N 0 1 260.337 1.379 10 30 CDEEMN CC#CCCCC(=O)NC[C@@H]1CN(CCCC)CCO1 ZINC001568223496 1169189144 /nfs/dbraw/zinc/18/91/44/1169189144.db2.gz LZWVADKVLLINRX-OAHLLOKOSA-N 0 1 280.412 1.797 10 30 CDEEMN C=C(C)CONC(=O)c1ccc2c(c1)[nH]c(=S)[nH]c2=O ZINC001183906188 918762440 /nfs/dbraw/zinc/76/24/40/918762440.db2.gz TWVJLRLDQPTNDM-UHFFFAOYSA-N 0 1 291.332 1.862 10 30 CDEEMN CC#CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CO[C@@H](C)C1 ZINC001273529527 920192314 /nfs/dbraw/zinc/19/23/14/920192314.db2.gz INMPAQJSGBVBRK-KBPBESRZSA-N 0 1 266.385 1.215 10 30 CDEEMN C[C@H](C#N)C(=O)N[C@H](CNCc1ccn(C)n1)C(C)(C)C ZINC001486392347 920975081 /nfs/dbraw/zinc/97/50/81/920975081.db2.gz ZCDCWSLUNZHOIR-DGCLKSJQSA-N 0 1 291.399 1.200 10 30 CDEEMN C#CCOc1ccc(CN2CC(C)(C(N)=O)C2)cc1 ZINC000843415932 923283343 /nfs/dbraw/zinc/28/33/43/923283343.db2.gz NFXXNSJEJQAICM-UHFFFAOYSA-N 0 1 258.321 1.006 10 30 CDEEMN CC#CCN(C)C(=O)c1nc[nH]c(=O)c1Br ZINC001141570248 936904456 /nfs/dbraw/zinc/90/44/56/936904456.db2.gz FWPKJNVOPXUWOP-UHFFFAOYSA-N 0 1 284.113 1.040 10 30 CDEEMN C#C[C@@H](C)NS(=O)(=O)c1cc2cn[nH]c2cc1C ZINC000867199169 924986311 /nfs/dbraw/zinc/98/63/11/924986311.db2.gz WGAYJOTWTWPURJ-SECBINFHSA-N 0 1 263.322 1.171 10 30 CDEEMN C#C[C@H](NC[C@@H](O)c1ccc(F)cc1C)[C@@H]1CCCO1 ZINC000775790611 925243180 /nfs/dbraw/zinc/24/31/80/925243180.db2.gz QKLYFVKAOQJSPA-XHSDSOJGSA-N 0 1 277.339 1.938 10 30 CDEEMN Cc1nn(-c2ccncc2)cc1C=NN(C)C[C@@H](C)O ZINC000841650332 937009435 /nfs/dbraw/zinc/00/94/35/937009435.db2.gz NRUSLAURMMCNFY-LLVKDONJSA-N 0 1 273.340 1.222 10 30 CDEEMN C=CCCn1cc(CNc2cccc3[nH]nnc32)nn1 ZINC001202466362 926582095 /nfs/dbraw/zinc/58/20/95/926582095.db2.gz MCLHYWGDFLYFBB-UHFFFAOYSA-N 0 1 269.312 1.738 10 30 CDEEMN C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001488664001 926653763 /nfs/dbraw/zinc/65/37/63/926653763.db2.gz QIHABBMMLNDYFJ-STQMWFEESA-N 0 1 253.390 1.045 10 30 CDEEMN C=CCCOCC(=O)N(C)C[C@H]1CCN1CC(=C)C ZINC001488700661 926671660 /nfs/dbraw/zinc/67/16/60/926671660.db2.gz YVBZQORJJBMWNM-CQSZACIVSA-N 0 1 266.385 1.688 10 30 CDEEMN CCN(CCCNC(=O)[C@@H](C)C#N)Cc1c(C)noc1C ZINC001490319117 927120517 /nfs/dbraw/zinc/12/05/17/927120517.db2.gz VWXQNCZXRNPFBV-NSHDSACASA-N 0 1 292.383 1.779 10 30 CDEEMN C#CCCN1CCC[C@@H](NC(=O)[C@H](OC)C2CC2)C1 ZINC001490434615 927181470 /nfs/dbraw/zinc/18/14/70/927181470.db2.gz GYLNVQUOUKKAGF-ZIAGYGMSSA-N 0 1 264.369 1.015 10 30 CDEEMN N#Cc1ccc(CCN2CCN3C(=O)OCC[C@@H]3C2)cc1 ZINC000851880122 927650861 /nfs/dbraw/zinc/65/08/61/927650861.db2.gz UVJXWAMUBBWVFQ-OAHLLOKOSA-N 0 1 285.347 1.627 10 30 CDEEMN Cn1cc[nH+]c1[N-]N=Cc1c(C2CCC2)cnn1C ZINC000853340293 928007042 /nfs/dbraw/zinc/00/70/42/928007042.db2.gz SLMUYRBTZOSNNO-UHFFFAOYSA-N 0 1 258.329 1.867 10 30 CDEEMN CCc1noc(C[C@]2(O)CCCN(CCCC#N)C2)n1 ZINC000856672793 928615343 /nfs/dbraw/zinc/61/53/43/928615343.db2.gz WKNVORJEALLNIT-CQSZACIVSA-N 0 1 278.356 1.305 10 30 CDEEMN C#CC[C@H](COC)NCc1ccnn1CCCOC ZINC000858334916 928841927 /nfs/dbraw/zinc/84/19/27/928841927.db2.gz IGUAGXFMUZFTDG-CYBMUJFWSA-N 0 1 265.357 1.048 10 30 CDEEMN C#CC[C@H](COC)NCc1ccc(S(C)(=O)=O)s1 ZINC000858334892 928843023 /nfs/dbraw/zinc/84/30/23/928843023.db2.gz SQSMWNLDPCMAAZ-SNVBAGLBSA-N 0 1 287.406 1.280 10 30 CDEEMN Cc1ccc(CNC2(CO)COC(C)(C)OC2)cc1C#N ZINC000859281985 928997005 /nfs/dbraw/zinc/99/70/05/928997005.db2.gz YZADRPIJSVBHQU-UHFFFAOYSA-N 0 1 290.363 1.470 10 30 CDEEMN C#CCN1CCC[C@@H]1COC(=O)C(C)(C)C(F)F ZINC000796690816 937311438 /nfs/dbraw/zinc/31/14/38/937311438.db2.gz WOBFEVIYLHCPDS-SNVBAGLBSA-N 0 1 259.296 1.919 10 30 CDEEMN CO[C@H]1CN(C)[C@@](C)(COC(=O)c2cc(C#N)cs2)C1 ZINC000861346160 929276551 /nfs/dbraw/zinc/27/65/51/929276551.db2.gz DPGDGIRZDDRVQB-BXUZGUMPSA-N 0 1 294.376 1.886 10 30 CDEEMN C=CCC(F)(F)C(=O)OC[C@H]1CN(C(C)C)CCO1 ZINC000816016049 930156941 /nfs/dbraw/zinc/15/69/41/930156941.db2.gz DOCRJVFSWSGLOF-LLVKDONJSA-N 0 1 277.311 1.850 10 30 CDEEMN C#CCN(C)CCN(C)C(=O)c1cc2c(cn1)OCCC2 ZINC001568504109 1169338930 /nfs/dbraw/zinc/33/89/30/1169338930.db2.gz VAVJHGOGGXNYSV-UHFFFAOYSA-N 0 1 287.363 1.044 10 30 CDEEMN COc1ccc(CON=C(N)CN2CCCC[C@@H]2C)cn1 ZINC000131507942 930183096 /nfs/dbraw/zinc/18/30/96/930183096.db2.gz IGKYYISGAGFYSX-LBPRGKRZSA-N 0 1 292.383 1.753 10 30 CDEEMN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NC1(C#N)CCN(C)CC1 ZINC000717241903 930333006 /nfs/dbraw/zinc/33/30/06/930333006.db2.gz YYTDHUHPLSQIMT-YVECIDJPSA-N 0 1 261.369 1.383 10 30 CDEEMN C#CC[C@@H](CCOC)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000825080640 931490719 /nfs/dbraw/zinc/49/07/19/931490719.db2.gz UFIFBJUAQPVPGH-QJPTWQEYSA-N 0 1 261.325 1.058 10 30 CDEEMN C=C(Cl)CNC/C=C\CNC(=O)C[C@H]1CCCOC1 ZINC001274590269 931513903 /nfs/dbraw/zinc/51/39/03/931513903.db2.gz XNFBUVCNFWPJGM-XQJDBVBESA-N 0 1 286.803 1.818 10 30 CDEEMN COCC#CCN1CC[C@H](NC(=O)C2(C)CCC2)C[C@H]1C ZINC001274633077 931526533 /nfs/dbraw/zinc/52/65/33/931526533.db2.gz DRUCYXPCOMMMCB-CABCVRRESA-N 0 1 292.423 1.796 10 30 CDEEMN C=CCNC(=O)CN1CC[C@@H](NC(=O)CCCF)C[C@@H]1C ZINC001274644844 931529853 /nfs/dbraw/zinc/52/98/53/931529853.db2.gz SEZQMMCOPYGRIF-QWHCGFSZSA-N 0 1 299.390 1.007 10 30 CDEEMN C#CCN(C)C[C@@H]1CCCN1C(=O)CCCc1ccccn1 ZINC001275160719 931684092 /nfs/dbraw/zinc/68/40/92/931684092.db2.gz PWVKZIKWQRSCJD-KRWDZBQOSA-N 0 1 299.418 1.960 10 30 CDEEMN C#CCN(C)C[C@H](C)NC(=O)C1(c2cccnc2)CC1 ZINC001275630247 931915872 /nfs/dbraw/zinc/91/58/72/931915872.db2.gz RYPNEWVKAXWMDN-ZDUSSCGKSA-N 0 1 271.364 1.183 10 30 CDEEMN C#CCN(C)C[C@H](C)NC(=O)c1cc(C)nc2n[nH]c(C)c21 ZINC001275680391 931953477 /nfs/dbraw/zinc/95/34/77/931953477.db2.gz MIPGBXMWKYPTPU-NSHDSACASA-N 0 1 299.378 1.258 10 30 CDEEMN Cc1ccc(/C=C\CC(=O)N[C@@H]2CNC[C@@H]2C#N)cc1 ZINC000846679198 932107798 /nfs/dbraw/zinc/10/77/98/932107798.db2.gz YXBWKLMALHPAOA-LYOOOYLASA-N 0 1 269.348 1.626 10 30 CDEEMN CC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)c1c(C)noc1C ZINC001275954895 932165970 /nfs/dbraw/zinc/16/59/70/932165970.db2.gz GIERNKIQPLKXHF-NEPJUHHUSA-N 0 1 291.395 1.855 10 30 CDEEMN CC#CCN(C)[C@H](C)CNC(=O)[C@@H](C)c1c(C)noc1C ZINC001275954895 932165971 /nfs/dbraw/zinc/16/59/71/932165971.db2.gz GIERNKIQPLKXHF-NEPJUHHUSA-N 0 1 291.395 1.855 10 30 CDEEMN C#CCN1CCC(C(=O)O[C@H](C)c2csnn2)CC1 ZINC001276222634 932660992 /nfs/dbraw/zinc/66/09/92/932660992.db2.gz PFWPWIFVSUCEKA-SNVBAGLBSA-N 0 1 279.365 1.488 10 30 CDEEMN C#CCCCCCCN1CCC[C@H]1c1nc(=N)n(C)[nH]1 ZINC000930317643 932734219 /nfs/dbraw/zinc/73/42/19/932734219.db2.gz VZNIWYAJHZNJCU-ZDUSSCGKSA-N 0 1 275.400 1.948 10 30 CDEEMN C#CCC1(NC(=O)[C@@H]2CCc3[nH]cnc3C2)CCOCC1 ZINC000925423029 932884422 /nfs/dbraw/zinc/88/44/22/932884422.db2.gz ZJAABILHISSJMY-GFCCVEGCSA-N 0 1 287.363 1.203 10 30 CDEEMN CCOC(=O)[C@H]1NCC[C@H]1NCc1ccc(C)c(C#N)c1 ZINC000925841861 932944471 /nfs/dbraw/zinc/94/44/71/932944471.db2.gz UAWOXAPPTCQVBM-CABCVRRESA-N 0 1 287.363 1.250 10 30 CDEEMN N#CCOc1ccc(CN2CC[C@](O)(C(F)F)C2)cc1 ZINC000831169767 932981062 /nfs/dbraw/zinc/98/10/62/932981062.db2.gz IQFKGNJNCQJQGV-CQSZACIVSA-N 0 1 282.290 1.791 10 30 CDEEMN C#CCN1CCC(NC(=O)[C@H](C)c2ccncc2)CC1 ZINC000928649398 933169658 /nfs/dbraw/zinc/16/96/58/933169658.db2.gz JQXHAOZLMTUOLL-CYBMUJFWSA-N 0 1 271.364 1.399 10 30 CDEEMN CCN(Cc1c(C)cc(C#N)cc1C)[C@@H]1CCNC1=O ZINC000930325320 933359534 /nfs/dbraw/zinc/35/95/34/933359534.db2.gz NCCBPJACAOYCBP-OAHLLOKOSA-N 0 1 271.364 1.886 10 30 CDEEMN C[C@H](c1ccc(C#N)cc1)N1CCN(C)[C@@H](CO)C1 ZINC000931407962 933557870 /nfs/dbraw/zinc/55/78/70/933557870.db2.gz MUDMHIYBEDFWFB-IUODEOHRSA-N 0 1 259.353 1.228 10 30 CDEEMN C[C@@H]1CC(NC(=O)c2cn(C)nc2-c2ccco2)=NO1 ZINC000831399615 933705982 /nfs/dbraw/zinc/70/59/82/933705982.db2.gz PRFHTZOYNODPNA-MRVPVSSYSA-N 0 1 274.280 1.532 10 30 CDEEMN Cc1cc(CCC(=O)Nc2cc(C)n(CCC#N)n2)n[nH]1 ZINC001412787801 934356041 /nfs/dbraw/zinc/35/60/41/934356041.db2.gz YBUWPZYZCRRCOR-UHFFFAOYSA-N 0 1 286.339 1.708 10 30 CDEEMN CC#CCN1CCCCC[C@H]1CNC(=O)[C@@H](COC)OC ZINC001276318383 935007085 /nfs/dbraw/zinc/00/70/85/935007085.db2.gz BESCUIAJYZQPBK-LSDHHAIUSA-N 0 1 296.411 1.032 10 30 CDEEMN N#CC1(CNC(=O)c2ncc(Br)cc2O)CC1 ZINC001412892081 935079085 /nfs/dbraw/zinc/07/90/85/935079085.db2.gz JCHMJMDOHASIHQ-UHFFFAOYSA-N 0 1 296.124 1.583 10 30 CDEEMN CC(C)(O)[C@@H](O)CN1CCC(C#N)(c2ccccn2)CC1 ZINC001412986248 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/nfs/dbraw/zinc/23/83/47/264238347.db2.gz KSCSOECPYXFULC-KBPBESRZSA-N 0 1 282.428 1.892 10 30 CDEEMN C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCCN1C1CC1 ZINC000424925696 264379978 /nfs/dbraw/zinc/37/99/78/264379978.db2.gz PUKQVXGQPUAZQV-YUTCNCBUSA-N 0 1 264.369 1.321 10 30 CDEEMN C=C(C)C[C@H](C)C(=O)NCc1n[nH]c([C@@H]2CCCO2)n1 ZINC000655245444 424051879 /nfs/dbraw/zinc/05/18/79/424051879.db2.gz XVTSPDQJGUICCI-QWRGUYRKSA-N 0 1 278.356 1.875 10 30 CDEEMN C[C@H](C#N)C(=O)N1CCCC[C@@H]1CCNCc1cnon1 ZINC001667239130 1173248391 /nfs/dbraw/zinc/24/83/91/1173248391.db2.gz TUEALQHMZGHFTM-DGCLKSJQSA-N 0 1 291.355 1.090 10 30 CDEEMN COc1ccc(CN2C[C@@H](O)CC[C@H]2C)cc1C#N ZINC000399153955 270368313 /nfs/dbraw/zinc/36/83/13/270368313.db2.gz AQNVMQSKQSFSCJ-RISCZKNCSA-N 0 1 260.337 1.912 10 30 CDEEMN CCc1noc(C)c1CNC/C=C\CNC(=O)[C@H](C)C#N ZINC001668751614 1173456149 /nfs/dbraw/zinc/45/61/49/1173456149.db2.gz LYKOYWAHBCTPNK-ISALQUGTSA-N 0 1 290.367 1.467 10 30 CDEEMN N#Cc1cc(-c2nc(C3(N)CCCC3)no2)ccn1 ZINC000567851970 293889720 /nfs/dbraw/zinc/88/97/20/293889720.db2.gz CPYZZUSZTRZPBN-UHFFFAOYSA-N 0 1 255.281 1.731 10 30 CDEEMN C=C(Cl)CNC/C=C\CNC(=O)c1ccn(CC)n1 ZINC001669074923 1173502520 /nfs/dbraw/zinc/50/25/20/1173502520.db2.gz GUUDWMQKPXBGCD-PLNGDYQASA-N 0 1 282.775 1.531 10 30 CDEEMN C=CCCC(=O)N[C@@H](C)CNCc1nccnc1C ZINC001669520953 1173561276 /nfs/dbraw/zinc/56/12/76/1173561276.db2.gz QBPTUVLNAIOAFT-NSHDSACASA-N 0 1 262.357 1.346 10 30 CDEEMN CC#CCN(C)C[C@H](C)NC(=O)CC[C@@H](C)OC ZINC001669800477 1173608794 /nfs/dbraw/zinc/60/87/94/1173608794.db2.gz KNZQLXMAVBOYTG-QWHCGFSZSA-N 0 1 254.374 1.261 10 30 CDEEMN CC#CCN(C)C[C@H](C)NC(=O)c1cc(C)nc(C)c1 ZINC001669815559 1173613772 /nfs/dbraw/zinc/61/37/72/1173613772.db2.gz HWFVRNCOLBAXIN-AWEZNQCLSA-N 0 1 273.380 1.772 10 30 CDEEMN C=CCN1CC[C@](C)(NC(=O)[C@@H](OC)C2CCCC2)C1 ZINC001671689535 1173704387 /nfs/dbraw/zinc/70/43/87/1173704387.db2.gz XFHUCISDRIVOEX-HOCLYGCPSA-N 0 1 280.412 1.958 10 30 CDEEMN CN(C)CC#CCNC(=O)NCC1(C2CCC2)CCC1 ZINC001673417227 1173855406 /nfs/dbraw/zinc/85/54/06/1173855406.db2.gz YMYQFBCTWFXQJZ-UHFFFAOYSA-N 0 1 277.412 1.821 10 30 CDEEMN C[C@H](N[C@@H](C)c1cn[nH]c1)C(=O)NC1(C#N)CCC1 ZINC000584266270 327204274 /nfs/dbraw/zinc/20/42/74/327204274.db2.gz MZLUOSOFCFBLEQ-UWVGGRQHSA-N 0 1 261.329 1.011 10 30 CDEEMN Cc1nc([C@@H]2CN(CCCC(C)(C)C#N)CCO2)n[nH]1 ZINC000174878602 329164344 /nfs/dbraw/zinc/16/43/44/329164344.db2.gz IFXWPLUTHUEPHL-LBPRGKRZSA-N 0 1 277.372 1.816 10 30 CDEEMN CCN(CCC#N)C(=O)CN(C)[C@@H](CO)CC(C)C ZINC000185313548 329272803 /nfs/dbraw/zinc/27/28/03/329272803.db2.gz WEWJXGANDYCWLK-CYBMUJFWSA-N 0 1 269.389 1.087 10 30 CDEEMN C[C@H]1Cc2cccc(C(=O)NC3(C#N)CCN(C)CC3)c2O1 ZINC000572351510 329996622 /nfs/dbraw/zinc/99/66/22/329996622.db2.gz GJRZMTPWYIYRSI-LBPRGKRZSA-N 0 1 299.374 1.728 10 30 CDEEMN C=CCOc1ccc(CN2CC(C(=O)NC)C2)cc1 ZINC000459613634 331290630 /nfs/dbraw/zinc/29/06/30/331290630.db2.gz CVDCUFKZUSNDMV-UHFFFAOYSA-N 0 1 260.337 1.429 10 30 CDEEMN CC#CCN(C)CCNC(=O)CO[C@@H]1CCCC[C@@H]1C ZINC001267220225 1159186103 /nfs/dbraw/zinc/18/61/03/1159186103.db2.gz MFQUYEHCOWNYTR-LSDHHAIUSA-N 0 1 280.412 1.653 10 30 CDEEMN C#CCN(C)CCN(C)C(=O)[C@H]1CCC(F)(F)C1 ZINC001698989328 1159190680 /nfs/dbraw/zinc/19/06/80/1159190680.db2.gz JSDVTEVTBBSQMH-NSHDSACASA-N 0 1 258.312 1.445 10 30 CDEEMN C#C[C@@H](CO)NC[C@H](O)c1ccc(Br)cc1 ZINC000491752876 332328662 /nfs/dbraw/zinc/32/86/62/332328662.db2.gz XFMUSLNDDPUFPT-RYUDHWBXSA-N 0 1 284.153 1.066 10 30 CDEEMN CCN(CCC#N)C(=O)CN[C@@H](CO)c1sccc1C ZINC000494653800 332481742 /nfs/dbraw/zinc/48/17/42/332481742.db2.gz VSWIFVKYKWQFQB-LBPRGKRZSA-N 0 1 295.408 1.442 10 30 CDEEMN C=CCCO[C@H](C)C(=O)N1CCN(C[C@@H](C)O)[C@H](CC)C1 ZINC000174594517 335160032 /nfs/dbraw/zinc/16/00/32/335160032.db2.gz NXADASAZCZWPNL-RBSFLKMASA-N 0 1 298.427 1.271 10 30 CDEEMN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)C[C@H]1CCCO1 ZINC000546935503 334056240 /nfs/dbraw/zinc/05/62/40/334056240.db2.gz OKPNPVORSHARHZ-GZBFAFLISA-N 0 1 281.400 1.540 10 30 CDEEMN C=C(C)CN(CC)C(=O)CNC1(CC(=O)OC)CC1 ZINC000576283646 335183026 /nfs/dbraw/zinc/18/30/26/335183026.db2.gz XBKCOZGRWTXPKR-UHFFFAOYSA-N 0 1 268.357 1.096 10 30 CDEEMN C=CCN(CCOC)C(=O)c1cc(-c2ccoc2)[nH]n1 ZINC000577160056 335312478 /nfs/dbraw/zinc/31/24/78/335312478.db2.gz XXRMOORUARQXFP-UHFFFAOYSA-N 0 1 275.308 1.944 10 30 CDEEMN C=C(C)CCC(=O)N(C)C[C@@H](O)CN(C)C/C=C\Cl ZINC001725717111 1159268606 /nfs/dbraw/zinc/26/86/06/1159268606.db2.gz MLOKBUFOGLTEFT-UJZCVKTISA-N 0 1 288.819 1.846 10 30 CDEEMN CC#CCN(C)CCN(C)C(=O)[C@]12C[C@H]1CCCC2 ZINC001698997220 1176026819 /nfs/dbraw/zinc/02/68/19/1176026819.db2.gz VPFWIMCQOUSGRF-GDBMZVCRSA-N 0 1 262.397 1.980 10 30 CDEEMN C#CCN(C)C[C@H](C)NC(=O)[C@H](OCC)C(C)C ZINC001699449902 1159646775 /nfs/dbraw/zinc/64/67/75/1159646775.db2.gz XXSVITGFVZCTIF-QWHCGFSZSA-N 0 1 254.374 1.117 10 30 CDEEMN C=C(Cl)CNCCN(C)C(=O)c1cccnc1OC ZINC001714748095 1159760680 /nfs/dbraw/zinc/76/06/80/1159760680.db2.gz CMWYTHWMJNJAGQ-UHFFFAOYSA-N 0 1 283.759 1.504 10 30 CDEEMN CC[C@@H](SC)C(=O)N[C@@H](C)CN(C)CC#CCOC ZINC001716016762 1159770480 /nfs/dbraw/zinc/77/04/80/1159770480.db2.gz HAJGPEJZSRFARD-QWHCGFSZSA-N 0 1 286.441 1.214 10 30 CDEEMN C=C(C)CCC(=O)NCC1(N[C@@H](C)C(=O)NC2CC2)CC1 ZINC001670788509 1159795263 /nfs/dbraw/zinc/79/52/63/1159795263.db2.gz KJNRHTQYUYYVJV-LBPRGKRZSA-N 0 1 293.411 1.248 10 30 CDEEMN C=CCN1CCC[C@H](NC(=O)CCCNC(=O)C2CC2)C1 ZINC001268195046 1159836229 /nfs/dbraw/zinc/83/62/29/1159836229.db2.gz ZALDNCZVHHKLRI-AWEZNQCLSA-N 0 1 293.411 1.059 10 30 CDEEMN CC[C@@H]1[C@@H](NC(=O)[C@H](C)C(C)C)CCN1CC#CCOC ZINC001691501866 1159861055 /nfs/dbraw/zinc/86/10/55/1159861055.db2.gz GANZEAUWIIDOCK-OWCLPIDISA-N 0 1 294.439 1.897 10 30 CDEEMN C=CCN1CCC[C@@H](NC(=O)[C@@H](C)OCC(C)C)C1 ZINC001690034130 1159875546 /nfs/dbraw/zinc/87/55/46/1159875546.db2.gz XFWPPFOCUFVWNC-ZIAGYGMSSA-N 0 1 268.401 1.814 10 30 CDEEMN C#CCN(C)C[C@H](C)NC(=O)c1cccn2nccc12 ZINC001268737286 1160009491 /nfs/dbraw/zinc/00/94/91/1160009491.db2.gz JDIPFSOIXKJDGS-LBPRGKRZSA-N 0 1 270.336 1.018 10 30 CDEEMN C#CCCN1CC[C@H]1CNC(=O)C1(COC)CCCCC1 ZINC001269239388 1160045895 /nfs/dbraw/zinc/04/58/95/1160045895.db2.gz ADWRWQITXPWIBV-HNNXBMFYSA-N 0 1 292.423 1.797 10 30 CDEEMN C#CCN(C)CCN(C)C(=O)[C@@]12CCO[C@H]1CCCC2 ZINC001272062220 1160542157 /nfs/dbraw/zinc/54/21/57/1160542157.db2.gz ZQDGGLXBLOJSFH-HOCLYGCPSA-N 0 1 278.396 1.359 10 30 CDEEMN Cc1cc(C)c(C#N)c(N2C[C@@H]3[C@H](C2)OCCN3C)n1 ZINC000408283784 482490956 /nfs/dbraw/zinc/49/09/56/482490956.db2.gz PAPROOWDJKCOCQ-KGLIPLIRSA-N 0 1 272.352 1.089 10 30 CDEEMN C=CC[C@H](CO)NCc1c(OC)cccc1OC ZINC000671718377 482534001 /nfs/dbraw/zinc/53/40/01/482534001.db2.gz CBEYAKLEQFIEQV-LLVKDONJSA-N 0 1 251.326 1.730 10 30 CDEEMN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCN(CCOC)C1 ZINC000680997456 482651866 /nfs/dbraw/zinc/65/18/66/482651866.db2.gz AQMSUVXIOJSABI-UONOGXRCSA-N 0 1 268.401 1.816 10 30 CDEEMN C=CCCCNC(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000684139642 482660830 /nfs/dbraw/zinc/66/08/30/482660830.db2.gz LKWHXLUSEIHGGT-KBPBESRZSA-N 0 1 281.400 1.193 10 30 CDEEMN C=CCOc1ccccc1CN1C[C@H](O)C[C@H](O)C1 ZINC000678298549 483019933 /nfs/dbraw/zinc/01/99/33/483019933.db2.gz VDOMQDBCEQYSNR-OKILXGFUSA-N 0 1 263.337 1.179 10 30 CDEEMN C=CCOCCNC(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1 ZINC000683095864 483417465 /nfs/dbraw/zinc/41/74/65/483417465.db2.gz HGVNDQBHPJZIJF-QWRGUYRKSA-N 0 1 295.387 1.881 10 30 CDEEMN C=CC[C@H](CO)NC(=O)c1c(C)n[nH]c1C(F)(F)F ZINC000680464270 483627548 /nfs/dbraw/zinc/62/75/48/483627548.db2.gz ZERDGMWVLLPUNL-SSDOTTSWSA-N 0 1 277.246 1.404 10 30 CDEEMN C#CCN1CC[C@@](C)(NC(=O)[C@H](C)Oc2ccccn2)C1 ZINC001671684404 1160755111 /nfs/dbraw/zinc/75/51/11/1160755111.db2.gz PGXITYQMUAKRJZ-XJKSGUPXSA-N 0 1 287.363 1.063 10 30 CDEEMN CC#CCN1CC[C@H](NC(=O)[C@@H](C)C(C)C)[C@H]1C ZINC001707260020 1177984358 /nfs/dbraw/zinc/98/43/58/1177984358.db2.gz AHPSKFFFPQBIHQ-MJBXVCDLSA-N 0 1 250.386 1.881 10 30 CDEEMN C=C(C)CN1CCN(CCNC(=O)C[C@@H](C)CC)CC1 ZINC001713073692 1178345739 /nfs/dbraw/zinc/34/57/39/1178345739.db2.gz SMUPCHUFHRTWTL-HNNXBMFYSA-N 0 1 281.444 1.733 10 30 CDEEMN C#CCN1CCC(C)(NC(=O)CCc2ccco2)CC1 ZINC001671398650 1161391503 /nfs/dbraw/zinc/39/15/03/1161391503.db2.gz OPZQUSZWGRPGNJ-UHFFFAOYSA-N 0 1 274.364 1.816 10 30 CDEEMN C#CCN(C)CCNC(=O)CCc1csc(C)n1 ZINC001713468076 1178584407 /nfs/dbraw/zinc/58/44/07/1178584407.db2.gz LEEJSEMDMJGIIL-UHFFFAOYSA-N 0 1 265.382 1.065 10 30 CDEEMN C#CCN(C)C[C@@H](C)NC(=O)CC[C@H]1CC(C)(C)CO1 ZINC001716502952 1180258542 /nfs/dbraw/zinc/25/85/42/1180258542.db2.gz FGUAYSGKIPPIDU-KGLIPLIRSA-N 0 1 280.412 1.651 10 30 CDEEMN CC[C@H](F)CN(C)C[C@H](O)CN(C)C(=O)C#CC(C)C ZINC001717938266 1180937350 /nfs/dbraw/zinc/93/73/50/1180937350.db2.gz IRBISPLVXPODKE-KBPBESRZSA-N 0 1 286.391 1.145 10 30 CDEEMN CC#CCN(C)CCN(C(=O)CO[C@@H](C)CC)C(C)C ZINC001734548167 1183821008 /nfs/dbraw/zinc/82/10/08/1183821008.db2.gz AQMUUVXNLLQFMG-HNNXBMFYSA-N 0 1 282.428 1.994 10 30 CDEEMN CC(=O)C/N=C1\N=C(NCCc2ccccc2)S1 ZINC000005495253 519360823 /nfs/dbraw/zinc/36/08/23/519360823.db2.gz KAHLLMICLSJBLZ-UHFFFAOYSA-N 0 1 261.350 1.867 10 30 CDEEMN CN1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2C#N)C1 ZINC000050442400 523817182 /nfs/dbraw/zinc/81/71/82/523817182.db2.gz QRYXTOASUNWABO-SNVBAGLBSA-N 0 1 261.285 1.368 10 30 CDEEMN CN(C)CC#CCNC(=O)N1CCCC2(CCOCC2)C1 ZINC001687889053 1174382579 /nfs/dbraw/zinc/38/25/79/1174382579.db2.gz KSCFBUKKZCZCTB-UHFFFAOYSA-N 0 1 293.411 1.154 10 30 CDEEMN C[C@@H]1CNC[C@@H](C)N1S(=O)(=O)Cc1cccc(C#N)c1 ZINC000069133906 525099827 /nfs/dbraw/zinc/09/98/27/525099827.db2.gz YCVOZCFPQRTDKC-VXGBXAGGSA-N 0 1 293.392 1.070 10 30 CDEEMN C[C@](N)(C(=O)N(CCC#N)C1CC1)c1ccccc1 ZINC000052882417 525142148 /nfs/dbraw/zinc/14/21/48/525142148.db2.gz RJKVLTPDMOJVJT-OAHLLOKOSA-N 0 1 257.337 1.765 10 30 CDEEMN CC#CCCCC(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 ZINC000344086795 526302792 /nfs/dbraw/zinc/30/27/92/526302792.db2.gz OXPBDGWTYJMZDU-UHFFFAOYSA-N 0 1 284.319 1.794 10 30 CDEEMN 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CC(C)C#CC(=O)NC[C@H](O)CNC/C(Cl)=C\Cl ZINC001268304534 901801022 /nfs/dbraw/zinc/80/10/22/901801022.db2.gz MRFYHRKOZUTUPK-IGLBNKAOSA-N 0 1 293.194 1.032 10 30 CDEEMN CCc1nocc1CNC/C=C\CNC(=O)[C@@H](C)C#N ZINC001268521791 902499870 /nfs/dbraw/zinc/49/98/70/902499870.db2.gz JCHSFQLWZRVYCX-WYGGZMRJSA-N 0 1 276.340 1.159 10 30 CDEEMN C=CCCC(=O)NC/C=C\CNCc1cnn(C)c1 ZINC001268527290 902513573 /nfs/dbraw/zinc/51/35/73/902513573.db2.gz ZZRDDCQOGFUDGI-WAYWQWQTSA-N 0 1 262.357 1.148 10 30 CDEEMN Cc1conc1CNC[C@@H](C)CNC(=O)CSCC#N ZINC001482079913 902617695 /nfs/dbraw/zinc/61/76/95/902617695.db2.gz APFJMLQPWPRWOB-SNVBAGLBSA-N 0 1 296.396 1.082 10 30 CDEEMN COc1nscc1CNC[C@@H](C)NC(=O)C#CC1CC1 ZINC001268644583 902881944 /nfs/dbraw/zinc/88/19/44/902881944.db2.gz ICYOVOVEZKZBIO-SNVBAGLBSA-N 0 1 293.392 1.159 10 30 CDEEMN C[C@H](CNCc1cc(C2CC2)no1)NC(=O)C#CC1CC1 ZINC001268644512 902883467 /nfs/dbraw/zinc/88/34/67/902883467.db2.gz FDANQHNFCQTGRD-LLVKDONJSA-N 0 1 287.363 1.560 10 30 CDEEMN C=C(C)C(C)(C)C(=O)N[C@H](C)CNCc1cc(OC)no1 ZINC001268656687 902908203 /nfs/dbraw/zinc/90/82/03/902908203.db2.gz CMFXCHJAVJTMBT-LLVKDONJSA-N 0 1 295.383 1.880 10 30 CDEEMN CC#CCCCC(=O)N[C@H](C)CNCc1cnns1 ZINC001268658398 902912161 /nfs/dbraw/zinc/91/21/61/902912161.db2.gz VHNYZXZRZUETJR-LLVKDONJSA-N 0 1 280.397 1.326 10 30 CDEEMN C#CCN(C)C[C@@H](C)NC(=O)c1cc(C)sn1 ZINC001268729485 903043463 /nfs/dbraw/zinc/04/34/63/903043463.db2.gz NMABUVSYLAUWDH-SECBINFHSA-N 0 1 251.355 1.135 10 30 CDEEMN C=CCN1CC(CNC(=O)[C@H](C)c2c(C)noc2C)C1 ZINC001268887624 903208342 /nfs/dbraw/zinc/20/83/42/903208342.db2.gz BNNLMEMHURKCOQ-SNVBAGLBSA-N 0 1 277.368 1.629 10 30 CDEEMN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccon1 ZINC001268926467 903247683 /nfs/dbraw/zinc/24/76/83/903247683.db2.gz GPGUKVCIIBGGCX-RYUDHWBXSA-N 0 1 261.325 1.540 10 30 CDEEMN C=CCOCCN1CC[C@H](NC(=O)c2cc(Cl)c[nH]2)C1 ZINC001268996001 903311508 /nfs/dbraw/zinc/31/15/08/903311508.db2.gz BQDWLNOVYMVFFT-LBPRGKRZSA-N 0 1 297.786 1.675 10 30 CDEEMN C#CCN1CC[C@H](NC(=O)CC(F)(F)C(F)(F)F)C1 ZINC001269101068 903420878 /nfs/dbraw/zinc/42/08/78/903420878.db2.gz OJURQROZFGGTBE-QMMMGPOBSA-N 0 1 284.228 1.398 10 30 CDEEMN C=C(C)CN1CC[C@H]1CNC(=O)CC[C@@H]1CCCO1 ZINC001269200945 903535300 /nfs/dbraw/zinc/53/53/00/903535300.db2.gz OVFZYNDFPKVSEN-KBPBESRZSA-N 0 1 266.385 1.712 10 30 CDEEMN C=C(C)CN1CC[C@H](N(C)C(=O)CCCC(C)=O)C1 ZINC001269209552 903561030 /nfs/dbraw/zinc/56/10/30/903561030.db2.gz XYOLOPGCXZFGRH-AWEZNQCLSA-N 0 1 266.385 1.855 10 30 CDEEMN C#CCCN1CC[C@H]1CNC(=O)C1(C)CC(F)(F)C1 ZINC001269333092 903706194 /nfs/dbraw/zinc/70/61/94/903706194.db2.gz UMIWBGYVHDDUMR-NSHDSACASA-N 0 1 270.323 1.636 10 30 CDEEMN C[C@@H](C#N)C(=O)NCC1(NCc2ccnc(Cl)c2)CC1 ZINC001269388564 903768901 /nfs/dbraw/zinc/76/89/01/903768901.db2.gz QXUZMXSBOAVUBL-JTQLQIEISA-N 0 1 292.770 1.633 10 30 CDEEMN C=CCOCC(=O)N1C[C@H]2CCC[C@@H](C1)N2CC(=C)C ZINC001269654804 904012869 /nfs/dbraw/zinc/01/28/69/904012869.db2.gz FKEBXHHXDRPAQE-GASCZTMLSA-N 0 1 278.396 1.830 10 30 CDEEMN C#CCN1CCC(C)(NC(=O)CCCC#CC)CC1 ZINC001270243658 904471710 /nfs/dbraw/zinc/47/17/10/904471710.db2.gz VEPZGSUMKVPKNJ-UHFFFAOYSA-N 0 1 260.381 1.784 10 30 CDEEMN C=C[C@](C)(CC)C(=O)NC[C@@H](C)CNCc1nonc1C ZINC001270509418 904688046 /nfs/dbraw/zinc/68/80/46/904688046.db2.gz XXVSNCANXQPDPS-XHDPSFHLSA-N 0 1 294.399 1.822 10 30 CDEEMN C=CCCC(=O)N1C[C@@H]2C[C@H]1CN2C[C@@H](CC)OC ZINC001567852400 1169019267 /nfs/dbraw/zinc/01/92/67/1169019267.db2.gz ZVGAGMIMVHESGU-MELADBBJSA-N 0 1 266.385 1.663 10 30 CDEEMN C#CCOCCC(=O)N1C[C@@H]2C[C@H]1CN2CCCCCF ZINC001567856578 1169026056 /nfs/dbraw/zinc/02/60/56/1169026056.db2.gz XIMHGPQRNVDQOT-GJZGRUSLSA-N 0 1 296.386 1.451 10 30 CDEEMN C#CCCCC(=O)N(C)[C@@H](C)CNCC(=C)Cl ZINC001270947903 905478203 /nfs/dbraw/zinc/47/82/03/905478203.db2.gz MAVCRRDFFWAWDN-LBPRGKRZSA-N 0 1 256.777 1.979 10 30 CDEEMN C[C@@H](CNCC#N)N(C)C(=O)c1cccc2n[nH]cc21 ZINC001271058951 905596675 /nfs/dbraw/zinc/59/66/75/905596675.db2.gz GHHMRNGDEHCYGR-JTQLQIEISA-N 0 1 271.324 1.137 10 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289.766 1.691 10 30 CDEEMN C=CC(C)(C)C(=O)NC[C@H](CC)NCc1cnnn1C ZINC001567971836 1169102244 /nfs/dbraw/zinc/10/22/44/1169102244.db2.gz LHPYCJZANZLMFB-NSHDSACASA-N 0 1 279.388 1.012 10 30 CDEEMN C=CCOCCCC(=O)N[C@H](C)C1=NN(C)CC1=O ZINC001648325319 1169120194 /nfs/dbraw/zinc/12/01/94/1169120194.db2.gz KJPCTHUKTRNSFR-SNVBAGLBSA-N 0 1 267.329 1.286 10 30 CDEEMN COCC#CCN(C)C[C@@H](C)NC(=O)C=C1CCC1 ZINC001483328749 910894439 /nfs/dbraw/zinc/89/44/39/910894439.db2.gz VIEDNTQGHNEJFH-CYBMUJFWSA-N 0 1 264.369 1.183 10 30 CDEEMN C#CCN(C)C[C@@H](C)NC(=O)c1ncc(Cl)s1 ZINC001483362694 910982300 /nfs/dbraw/zinc/98/23/00/910982300.db2.gz SGRWAADDHAZPCG-MRVPVSSYSA-N 0 1 271.773 1.480 10 30 CDEEMN C#CCN(C)C[C@@H](C)NC(=O)c1ncsc1C(C)C ZINC001483411229 911081312 /nfs/dbraw/zinc/08/13/12/911081312.db2.gz ZMVWUZIVJLYYNE-LLVKDONJSA-N 0 1 279.409 1.950 10 30 CDEEMN C#CCCCC(=O)N1CCC[C@@H]1CNCc1ccn(C)n1 ZINC001568136954 1169145064 /nfs/dbraw/zinc/14/50/64/1169145064.db2.gz WDCRCXGERVDDFG-OAHLLOKOSA-N 0 1 288.395 1.304 10 30 CDEEMN C=CCNC(=O)CN1CCC[C@]2(CCN(C(=O)CC)C2)C1 ZINC001483827955 915100775 /nfs/dbraw/zinc/10/07/75/915100775.db2.gz GXIAUYVPKHSUIS-INIZCTEOSA-N 0 1 293.411 1.013 10 30 CDEEMN C=CCCC[NH+]1CC(N(C)C(=O)CCc2cnc[nH]2)C1 ZINC001483866821 915139636 /nfs/dbraw/zinc/13/96/36/915139636.db2.gz JUHQANJIBAQANX-UHFFFAOYSA-N 0 1 276.384 1.451 10 30 CDEEMN C=CCCCN1CC(N(C)C(=O)CCc2c[nH]cn2)C1 ZINC001483866821 915139644 /nfs/dbraw/zinc/13/96/44/915139644.db2.gz JUHQANJIBAQANX-UHFFFAOYSA-N 0 1 276.384 1.451 10 30 CDEEMN C#CCN1CCC(C)(NC(=O)Cc2ccn(CC)n2)CC1 ZINC001483966144 915255301 /nfs/dbraw/zinc/25/53/01/915255301.db2.gz HLVWYLNDCCIGDO-UHFFFAOYSA-N 0 1 288.395 1.049 10 30 CDEEMN CCN(CC)C[C@H](F)C(=O)NC1(C)CCN(CC#N)CC1 ZINC001483966657 915256697 /nfs/dbraw/zinc/25/66/97/915256697.db2.gz ZXOGKIBKBUIUJT-ZDUSSCGKSA-N 0 1 298.406 1.161 10 30 CDEEMN C#CCN(C(=O)c1occc1C)C1CCN(CC#C)CC1 ZINC001483978957 915260705 /nfs/dbraw/zinc/26/07/05/915260705.db2.gz LWVNJIQXBYOXAW-UHFFFAOYSA-N 0 1 284.359 1.761 10 30 CDEEMN C=CCN1CCC(F)(F)[C@@H](CNC(=O)C[C@H](C)OC)C1 ZINC001484193585 915503090 /nfs/dbraw/zinc/50/30/90/915503090.db2.gz LCRAYXUTIGJBAF-RYUDHWBXSA-N 0 1 290.354 1.671 10 30 CDEEMN C=CCCn1cc(CN[C@H](CO)CC2CCCC2)nn1 ZINC001178571131 915522513 /nfs/dbraw/zinc/52/25/13/915522513.db2.gz JCKOFUPOTQOENS-AWEZNQCLSA-N 0 1 278.400 1.885 10 30 CDEEMN CC(C)C#CC(=O)N1C[C@H]2CN(CCF)C[C@H]2C1 ZINC001484407029 915725807 /nfs/dbraw/zinc/72/58/07/915725807.db2.gz LSNSMVLBOFJGKN-BETUJISGSA-N 0 1 252.333 1.006 10 30 CDEEMN C#CCC[C@@H](O)CNCc1c(Cl)n[nH]c1C1CC1 ZINC001179489521 915851888 /nfs/dbraw/zinc/85/18/88/915851888.db2.gz RTGQABKOYQZNIN-SNVBAGLBSA-N 0 1 267.760 1.804 10 30 CDEEMN CC(C)C#CC(=O)N1CC2(C1)CCN(CCF)CC2 ZINC001484578362 915912560 /nfs/dbraw/zinc/91/25/60/915912560.db2.gz SIOFKXIUSJOHDN-UHFFFAOYSA-N 0 1 266.360 1.540 10 30 CDEEMN O=C(CC(F)(F)C(F)(F)F)N[C@@H](CO)C(F)(F)F ZINC001179910053 916091551 /nfs/dbraw/zinc/09/15/51/916091551.db2.gz OKJXHRJYUWBTPZ-VKHMYHEASA-N 0 1 289.122 1.614 10 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270.376 1.788 10 30 CDEEMN C=C(Cl)CN[C@@H](C)CNC(=O)C[C@H](C)COC ZINC001265845714 944537189 /nfs/dbraw/zinc/53/71/89/944537189.db2.gz CQKCYWUDBXBNQW-ONGXEEELSA-N 0 1 262.781 1.506 10 30 CDEEMN C=CCCC(=O)N[C@H]1CCC[C@@H](NCc2nnc(C)o2)C1 ZINC001266046890 944653326 /nfs/dbraw/zinc/65/33/26/944653326.db2.gz DRZMKYMHAORWCN-OLZOCXBDSA-N 0 1 292.383 1.861 10 30 CDEEMN C[C@H](C#N)C(=O)NCC[C@H](C)NCc1nccs1 ZINC001266130141 944701477 /nfs/dbraw/zinc/70/14/77/944701477.db2.gz GOYFSHIWESFKAR-ZJUUUORDSA-N 0 1 266.370 1.287 10 30 CDEEMN C=CCOCCN1CCC[C@H](NC(=O)[C@H](OC)C2CC2)C1 ZINC001266214170 944761990 /nfs/dbraw/zinc/76/19/90/944761990.db2.gz BNULYBHEEHZCBC-LSDHHAIUSA-N 0 1 296.411 1.195 10 30 CDEEMN C=C(Cl)CNCCOCCN(C)C(=O)C1CC=CC1 ZINC001279393044 944800187 /nfs/dbraw/zinc/80/01/87/944800187.db2.gz OHLQRPKRIOLNDP-UHFFFAOYSA-N 0 1 286.803 1.770 10 30 CDEEMN C=CCN1CCC[C@@](CO)(NC(=O)C2CCCC2)C1 ZINC001279453510 944804054 /nfs/dbraw/zinc/80/40/54/944804054.db2.gz LATZCJPCXLWZBR-OAHLLOKOSA-N 0 1 266.385 1.306 10 30 CDEEMN COc1cc(C(=O)NCc2cc(C)[nH]n2)ccc1C#N ZINC001362286242 971119796 /nfs/dbraw/zinc/11/97/96/971119796.db2.gz RDLHPOZQDKZVQV-UHFFFAOYSA-N 0 1 270.292 1.528 10 30 CDEEMN CN(C)CC#CCNC(=O)N(C)C[C@H]1CC=CCC1 ZINC001479623887 971348011 /nfs/dbraw/zinc/34/80/11/971348011.db2.gz UBVGYAGONOWLBE-AWEZNQCLSA-N 0 1 263.385 1.549 10 30 CDEEMN C#CCN1CC[C@](O)(CNC(=O)C[C@@H](CC)CCCC)C1 ZINC001278790583 947454287 /nfs/dbraw/zinc/45/42/87/947454287.db2.gz JFLATPRWHPOKCA-RDJZCZTQSA-N 0 1 294.439 1.779 10 30 CDEEMN C#CCN1CC[C@H](NC(=O)C(C)(C)C(F)(F)F)[C@H]1C ZINC001479724922 971384953 /nfs/dbraw/zinc/38/49/53/971384953.db2.gz UKNAPZFHXFSUDY-ZJUUUORDSA-N 0 1 276.302 1.787 10 30 CDEEMN C#CCN1CC[C@](O)(CNC(=O)C2CCCCCCC2)C1 ZINC001278792504 947518781 /nfs/dbraw/zinc/51/87/81/947518781.db2.gz ZKJMPNOPDAMFHN-KRWDZBQOSA-N 0 1 292.423 1.533 10 30 CDEEMN C#CCN1CC[C@]2(NC(=O)[C@H](C)SC)CCC[C@H]12 ZINC001278440802 948108469 /nfs/dbraw/zinc/10/84/69/948108469.db2.gz SVNBUIGUEHIGFS-SGMGOOAPSA-N 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953832655 /nfs/dbraw/zinc/83/26/55/953832655.db2.gz ALHVOLKOKNZPPX-UONOGXRCSA-N 0 1 295.427 1.400 10 30 CDEEMN C=CCCC(=O)N1C[C@H]2CN(Cc3ccnn3C)C[C@H]2C1 ZINC001325719754 954041060 /nfs/dbraw/zinc/04/10/60/954041060.db2.gz ASAUKDCHBGIKPW-OKILXGFUSA-N 0 1 288.395 1.277 10 30 CDEEMN C=CCCC(=O)N[C@H]1CCCN(C(=O)c2ccn[nH]2)C1 ZINC001293851989 954421894 /nfs/dbraw/zinc/42/18/94/954421894.db2.gz NHHCLAFYMXNGJW-NSHDSACASA-N 0 1 276.340 1.097 10 30 CDEEMN C=C[C@@H](CC)CC(=O)NCCCN(C)C(=O)c1ccn[nH]1 ZINC001294255515 954482209 /nfs/dbraw/zinc/48/22/09/954482209.db2.gz NJBCZGBERLGMDM-LBPRGKRZSA-N 0 1 292.383 1.590 10 30 CDEEMN C=CCCC(=O)NC[C@@H](C)NC(=O)[C@@H]1CCCCN1C ZINC001295437672 954669065 /nfs/dbraw/zinc/66/90/65/954669065.db2.gz UEDAEHMGZDNLTM-OLZOCXBDSA-N 0 1 281.400 1.058 10 30 CDEEMN COCC#CCN(CCNC(=O)C1(C)CCCC1)C1CC1 ZINC001493394238 972041463 /nfs/dbraw/zinc/04/14/63/972041463.db2.gz SPSUMYPHSKQMNO-UHFFFAOYSA-N 0 1 292.423 1.797 10 30 CDEEMN C[C@@H]1CC[C@](CO)(NC[C@H](O)CC#N)c2ccccc21 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CC#CCN(C)C[C@H]1CCCN1C(=O)c1cccnc1 ZINC001328704946 955427132 /nfs/dbraw/zinc/42/71/32/955427132.db2.gz QSAIGUBGQXNCNJ-OAHLLOKOSA-N 0 1 271.364 1.641 10 30 CDEEMN CC#CCN(C)C[C@@H]1CCCN1C(=O)[C@@H](C)OCC ZINC001328707062 955429033 /nfs/dbraw/zinc/42/90/33/955429033.db2.gz KBZWVGFDUCTOJH-KGLIPLIRSA-N 0 1 266.385 1.358 10 30 CDEEMN C=CCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ncccc2[O-])C1 ZINC001491868571 955482419 /nfs/dbraw/zinc/48/24/19/955482419.db2.gz DROZXMHWTUKCIH-QWHCGFSZSA-N 0 1 289.379 1.994 10 30 CDEEMN C=C(C)CCC(=O)N1CCC[C@@H](N(C)[C@H](CC)C(N)=O)C1 ZINC001491928007 955529914 /nfs/dbraw/zinc/52/99/14/955529914.db2.gz ATAWNYQGHFXNGO-ZIAGYGMSSA-N 0 1 295.427 1.529 10 30 CDEEMN Cc1oncc1CN1CCC[C@H](NC(=O)[C@@H](C)C#N)CC1 ZINC001421824728 955575292 /nfs/dbraw/zinc/57/52/92/955575292.db2.gz STCJKLCADFREGG-FZMZJTMJSA-N 0 1 290.367 1.613 10 30 CDEEMN C=C(Cl)CNC[C@H](C)N(C)C(=O)[C@@]1(C)CCCOC1 ZINC001421964689 955677699 /nfs/dbraw/zinc/67/76/99/955677699.db2.gz JHILSFWLCXQNCL-JSGCOSHPSA-N 0 1 288.819 1.992 10 30 CDEEMN CN(CCNC(=O)c1ncc[nH]1)Cc1cccc(C#N)c1 ZINC001492244297 955743869 /nfs/dbraw/zinc/74/38/69/955743869.db2.gz BZIZFWIRHXIWRO-UHFFFAOYSA-N 0 1 283.335 1.143 10 30 CDEEMN C#CCN[C@H](CNC(=O)CCc1ccon1)c1ccccc1 ZINC001493892601 972134446 /nfs/dbraw/zinc/13/44/46/972134446.db2.gz OMKLBXABEHMLHT-MRXNPFEDSA-N 0 1 297.358 1.688 10 30 CDEEMN C#CCN(C)CCNC(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1 ZINC001492448023 955895231 /nfs/dbraw/zinc/89/52/31/955895231.db2.gz RCKMZVGNMKZLGS-JKSUJKDBSA-N 0 1 286.375 1.480 10 30 CDEEMN C#CCN(C)[C@@H](C)CNC(=O)Cc1ccn(C(C)C)n1 ZINC001329503467 955955984 /nfs/dbraw/zinc/95/59/84/955955984.db2.gz SYWGSNZYIQNAIN-ZDUSSCGKSA-N 0 1 276.384 1.076 10 30 CDEEMN C=C[C@@](C)(O)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC001301793425 955977207 /nfs/dbraw/zinc/97/72/07/955977207.db2.gz XJRVHMXBIVGMBT-CYBMUJFWSA-N 0 1 256.265 1.310 10 30 CDEEMN N#CCNCC1(NC(=O)CCc2cnc[nH]2)CCCCC1 ZINC001329825736 956130590 /nfs/dbraw/zinc/13/05/90/956130590.db2.gz RFMJOPZVJFMCCA-UHFFFAOYSA-N 0 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CDEEMN N#Cc1ccc2ncc(CNCC(=O)NC3CCCC3)n2c1 ZINC000609919098 346040385 /nfs/dbraw/zinc/04/03/85/346040385.db2.gz LKJUHBFXTYJGBW-UHFFFAOYSA-N 0 1 297.362 1.354 10 30 CDEEMN C[C@@H](C#N)CNC(=O)Nc1cnn(-c2ccncc2)c1 ZINC000610698919 346362645 /nfs/dbraw/zinc/36/26/45/346362645.db2.gz MXONDRSCTIBHSI-JTQLQIEISA-N 0 1 270.296 1.548 10 30 CDEEMN CCn1nc2c(cc1=O)CN(Cc1ccnc(C#N)c1)CC2 ZINC000610993928 346565594 /nfs/dbraw/zinc/56/55/94/346565594.db2.gz ODELEGMXOZMORC-UHFFFAOYSA-N 0 1 295.346 1.088 10 30 CDEEMN N#Cc1ccc(Nc2cnn(-c3ccncc3)c2)nn1 ZINC000611240397 346710912 /nfs/dbraw/zinc/71/09/12/346710912.db2.gz GKOOHCWAHJPLRX-UHFFFAOYSA-N 0 1 263.264 1.094 10 30 CDEEMN CCC1(CO)CCN(Cc2ccnc(C#N)c2)CC1 ZINC000611211088 346691436 /nfs/dbraw/zinc/69/14/36/346691436.db2.gz JNSCLSIOIAYNKZ-UHFFFAOYSA-N 0 1 259.353 1.938 10 30 CDEEMN N#Cc1cccc2c1CN(C(=O)CCc1c[nH]nn1)C2 ZINC000601660057 349987449 /nfs/dbraw/zinc/98/74/49/349987449.db2.gz QGPKASOPBMEURM-UHFFFAOYSA-N 0 1 267.292 1.151 10 30 CDEEMN N#Cc1cccc2c1CN(C(=O)CCc1cnn[nH]1)C2 ZINC000601660057 349987453 /nfs/dbraw/zinc/98/74/53/349987453.db2.gz QGPKASOPBMEURM-UHFFFAOYSA-N 0 1 267.292 1.151 10 30 CDEEMN N#Cc1cccc2c1CCN2C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000602168411 350079466 /nfs/dbraw/zinc/07/94/66/350079466.db2.gz RKUYRZPMYAYMDD-CHWSQXEVSA-N 0 1 278.315 1.974 10 30 CDEEMN C=CC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2nnc(C)n2C)C1 ZINC000091848961 180271453 /nfs/dbraw/zinc/27/14/53/180271453.db2.gz KYEWNMWCHHRERQ-CQSZACIVSA-N 0 1 278.356 1.366 10 30 CDEEMN CN(C)[C@@H]1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)C1 ZINC000110267767 186289386 /nfs/dbraw/zinc/28/93/86/186289386.db2.gz XLXTWNAILFYJLG-CQSZACIVSA-N 0 1 293.392 1.024 10 30 CDEEMN CN(C[C@@H]1CCc2nccn2C1)C([O-])=[NH+]C[C@H]1CCCO1 ZINC000328616388 351304879 /nfs/dbraw/zinc/30/48/79/351304879.db2.gz BOFPKHSPEXVCPV-QWHCGFSZSA-N 0 1 292.383 1.470 10 30 CDEEMN C=C(C)[C@@H](CO)N(C)Cc1ccc(OC)c(O)c1 ZINC000677478947 482682067 /nfs/dbraw/zinc/68/20/67/482682067.db2.gz GIJHGBMBWUZNLG-GFCCVEGCSA-N 0 1 251.326 1.770 10 30 CDEEMN N#Cc1ccc(CC(=O)N[C@@H]2CCc3nc[nH]c3C2)cc1 ZINC000336572838 356211993 /nfs/dbraw/zinc/21/19/93/356211993.db2.gz JXMYCGANUNCWCI-CYBMUJFWSA-N 0 1 280.331 1.498 10 30 CDEEMN CCN(CCCNC(=O)[C@H](C)C#N)Cc1cncs1 ZINC001660501650 1172221836 /nfs/dbraw/zinc/22/18/36/1172221836.db2.gz CNXXWHFDDYTYQU-LLVKDONJSA-N 0 1 280.397 1.631 10 30 CDEEMN C=C(Cl)CN(CC)CCCNC(=O)[C@H]1C[C@H](C)CO1 ZINC001660562044 1172234406 /nfs/dbraw/zinc/23/44/06/1172234406.db2.gz PXNCSLKHTHGHOC-WCQYABFASA-N 0 1 288.819 1.992 10 30 CDEEMN C#CCCOc1ccc(CN2CCOC[C@@H](O)C2)cc1 ZINC000294699073 199140631 /nfs/dbraw/zinc/14/06/31/199140631.db2.gz CXJJRQVPVUKFHW-HNNXBMFYSA-N 0 1 275.348 1.282 10 30 CDEEMN Cc1nc([C@H](C)NS(=O)(=O)CC2(C#N)CCCC2)n[nH]1 ZINC000352538749 363617723 /nfs/dbraw/zinc/61/77/23/363617723.db2.gz OGXNPWHIRSPGGT-VIFPVBQESA-N 0 1 297.384 1.178 10 30 CDEEMN Cc1ccc(C#N)c(N2CCC(c3nc(=O)[nH][nH]3)CC2)n1 ZINC000287604944 359089493 /nfs/dbraw/zinc/08/94/93/359089493.db2.gz FTJQNSLSKIIFHX-UHFFFAOYSA-N 0 1 284.323 1.057 10 30 CDEEMN C=CCCCCCNC(=O)NCCN1CC[C@H](O)C1 ZINC000637254476 359551698 /nfs/dbraw/zinc/55/16/98/359551698.db2.gz BAAXZAMHSMVTCZ-ZDUSSCGKSA-N 0 1 269.389 1.099 10 30 CDEEMN C=CC[C@@H]1CCN(C(=O)CCCCc2cn[nH]n2)C1 ZINC000628491114 359913702 /nfs/dbraw/zinc/91/37/02/359913702.db2.gz PKNIUBASHNHGRD-GFCCVEGCSA-N 0 1 262.357 1.942 10 30 CDEEMN C=CCOc1ccccc1CN(CCO)CCOC ZINC000093005822 360290015 /nfs/dbraw/zinc/29/00/15/360290015.db2.gz DFNGTSCYICLQIH-UHFFFAOYSA-N 0 1 265.353 1.692 10 30 CDEEMN C=C[C@](C)(O)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000613056468 360309701 /nfs/dbraw/zinc/30/97/01/360309701.db2.gz GIPAIVMVPHXQGR-FMKPAKJESA-N 0 1 274.364 1.485 10 30 CDEEMN C=CCOCCN1CCC[C@H](NC(=O)C(C)C)C1 ZINC000338951007 361154026 /nfs/dbraw/zinc/15/40/26/361154026.db2.gz BWNOVTHYRBPYBT-ZDUSSCGKSA-N 0 1 254.374 1.426 10 30 CDEEMN C[C@@H]1CC[C@@H](C)N(C(=O)N[C@H]2COC[C@H]2n2ccnn2)C1 ZINC000329430939 361510443 /nfs/dbraw/zinc/51/04/43/361510443.db2.gz HQENHKHKDIIRKB-FVCCEPFGSA-N 0 1 293.371 1.252 10 30 CDEEMN C=C(C)[C@@H](CO)n1cc([C@@H](N)c2ccc(F)cc2)nn1 ZINC000641084904 365006909 /nfs/dbraw/zinc/00/69/09/365006909.db2.gz VNPYAFIFTSWXTI-KGLIPLIRSA-N 0 1 276.315 1.575 10 30 CDEEMN COC(=O)[C@H]1CSCCN(Cc2ccc(C#N)s2)C1 ZINC000414567837 241262995 /nfs/dbraw/zinc/26/29/95/241262995.db2.gz LFOPEEDZQOFRBV-SNVBAGLBSA-N 0 1 296.417 1.958 10 30 CDEEMN C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)c1n[nH]c(CC)n1 ZINC000566852040 370826744 /nfs/dbraw/zinc/82/67/44/370826744.db2.gz INICFBZMIRCTKZ-DCAQKATOSA-N 0 1 293.371 1.318 10 30 CDEEMN C[C@@H]1CN(CC#CCN2C(=O)c3ccccc3C2=O)[C@@H]1C ZINC000528511204 367873135 /nfs/dbraw/zinc/87/31/35/367873135.db2.gz DSLOZCPETTUYJP-CHWSQXEVSA-N 0 1 282.343 1.626 10 30 CDEEMN C=CCCN(C)CC(=O)NCc1ccc(OC)cc1 ZINC000276355034 193296729 /nfs/dbraw/zinc/29/67/29/193296729.db2.gz DWDBVWAPXQUMEK-UHFFFAOYSA-N 0 1 262.353 1.819 10 30 CDEEMN CC#CCN1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000119209841 370025218 /nfs/dbraw/zinc/02/52/18/370025218.db2.gz HYWPLKCJMUUYHZ-UHFFFAOYSA-N 0 1 274.368 1.478 10 30 CDEEMN C=CCC(C)(C)C(=O)N[C@H]1C[C@H](NCc2ccn(C)n2)C1 ZINC001661477844 1172394967 /nfs/dbraw/zinc/39/49/67/1172394967.db2.gz KUKMNOMDEXCVPE-HDJSIYSDSA-N 0 1 290.411 1.759 10 30 CDEEMN C[C@@H](CO)CN1CCN(c2ccc(C#N)cc2F)CC1 ZINC000120780919 372775161 /nfs/dbraw/zinc/77/51/61/372775161.db2.gz NNXLHPHJIQYLPZ-GFCCVEGCSA-N 0 1 277.343 1.448 10 30 CDEEMN CC[C@@](C)(O)CN1CCN(c2ncccc2C#N)CC1 ZINC000123255719 374065846 /nfs/dbraw/zinc/06/58/46/374065846.db2.gz SNSMIRJFPDHJLL-OAHLLOKOSA-N 0 1 274.368 1.236 10 30 CDEEMN Cc1ccc(C#N)c(N[C@@H]2CCc3[nH]cnc3C2)n1 ZINC000367906634 374147944 /nfs/dbraw/zinc/14/79/44/374147944.db2.gz KCBBFCMBLRZHMJ-LLVKDONJSA-N 0 1 253.309 1.954 10 30 CDEEMN CCC(CC)[C@H](O)CNCc1nc(C#N)cs1 ZINC000352856398 374362776 /nfs/dbraw/zinc/36/27/76/374362776.db2.gz WLBZBKCEKFXXFS-LLVKDONJSA-N 0 1 253.371 1.901 10 30 CDEEMN CC1(C)[C@H](NCc2nc(C#N)cs2)[C@@H]2CCO[C@@H]21 ZINC000352844744 374369217 /nfs/dbraw/zinc/36/92/17/374369217.db2.gz QWUVFHHUDHOCAQ-WCQGTBRESA-N 0 1 263.366 1.918 10 30 CDEEMN COC(=O)C(C)(C)CCNCc1nc(C#N)cs1 ZINC000352870920 374372930 /nfs/dbraw/zinc/37/29/30/374372930.db2.gz LYMNQUKRCGLKJX-UHFFFAOYSA-N 0 1 267.354 1.694 10 30 CDEEMN C[C@H](N[C@@H]1CCC(=O)N(C)C1=O)c1ccc(C#N)c(F)c1 ZINC000424309689 374406672 /nfs/dbraw/zinc/40/66/72/374406672.db2.gz BAULAOLZHBGXET-TVQRCGJNSA-N 0 1 289.310 1.495 10 30 CDEEMN C=CCC[C@@H](O)CN1CC[N@@H+](CCOCC)[C@H](CC)C1 ZINC000127536070 375065495 /nfs/dbraw/zinc/06/54/95/375065495.db2.gz BCLPPKXISAOMKC-HZPDHXFCSA-N 0 1 284.444 1.746 10 30 CDEEMN C=C(C)[C@@H](CC(=O)N1CCC[C@H](c2nc[nH]n2)C1)OCC ZINC000330467036 376140165 /nfs/dbraw/zinc/14/01/65/376140165.db2.gz XWWHUCOZXXMGOR-QWHCGFSZSA-N 0 1 292.383 1.882 10 30 CDEEMN CC(C)[C@@H]1CCCC[C@H]1[NH+]=C([O-])NCCn1cncn1 ZINC000330583016 376283663 /nfs/dbraw/zinc/28/36/63/376283663.db2.gz SLHAZQZEFHDHAK-QWHCGFSZSA-N 0 1 279.388 1.997 10 30 CDEEMN CC(C)[C@@H]1CCCC[C@H]1NC([O-])=[NH+]CCn1cncn1 ZINC000330583016 376283669 /nfs/dbraw/zinc/28/36/69/376283669.db2.gz SLHAZQZEFHDHAK-QWHCGFSZSA-N 0 1 279.388 1.997 10 30 CDEEMN C=CCNC(=O)[C@H](C)N1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249583660 377454527 /nfs/dbraw/zinc/45/45/27/377454527.db2.gz SCRRCXDRBDLHQW-FPMFFAJLSA-N 0 1 294.420 1.447 10 30 CDEEMN C=CCN(CC=C)C(=O)CN1CC[C@H](C)[C@H](OC)C1 ZINC000251539674 377601608 /nfs/dbraw/zinc/60/16/08/377601608.db2.gz DPHZWJCKFVHMKC-UONOGXRCSA-N 0 1 266.385 1.544 10 30 CDEEMN C=C1CC(C)(C(=O)N2CCC(c3n[nH]c(=O)o3)CC2)C1 ZINC000632882350 377956176 /nfs/dbraw/zinc/95/61/76/377956176.db2.gz ZAAXEFWDGHQLEX-UHFFFAOYSA-N 0 1 277.324 1.838 10 30 CDEEMN C[C@]1(O)CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000245532530 378421783 /nfs/dbraw/zinc/42/17/83/378421783.db2.gz USFBKGASBKXZSR-RDJZCZTQSA-N 0 1 299.374 1.510 10 30 CDEEMN CC(C)[C@H](C#N)NC(=O)c1ccc(CN(C)C)nc1 ZINC000343612247 378926937 /nfs/dbraw/zinc/92/69/37/378926937.db2.gz AJJPJFMDWJKMPZ-ZDUSSCGKSA-N 0 1 260.341 1.421 10 30 CDEEMN C=CCC[C@@H](O)C[N@H+]1CCC[C@H](c2n[nH]c(=O)[n-]2)C1 ZINC000344087801 379154733 /nfs/dbraw/zinc/15/47/33/379154733.db2.gz IKBCNIJUUNDRAI-WDEREUQCSA-N 0 1 266.345 1.017 10 30 CDEEMN C[C@H]1CN(c2cccc(Cl)c2C#N)CCN1CCO ZINC000450454496 251292726 /nfs/dbraw/zinc/29/27/26/251292726.db2.gz SCSBXOCAMQTOSK-NSHDSACASA-N 0 1 279.771 1.714 10 30 CDEEMN C=CCN1CC[C@@H](N(C)C[C@H](O)CC(F)(F)F)C1=O ZINC000281476269 195254652 /nfs/dbraw/zinc/25/46/52/195254652.db2.gz WIWVOBSEXNMFPI-NXEZZACHSA-N 0 1 280.290 1.018 10 30 CDEEMN CC#CCN(C)CCNC(=O)c1cc(C(C)(C)C)nn1C ZINC001663267364 1172663601 /nfs/dbraw/zinc/66/36/01/1172663601.db2.gz YWTJEUONZUSHMI-UHFFFAOYSA-N 0 1 290.411 1.403 10 30 CDEEMN CC#CCN(CC)CCNC(=O)Cn1ccc(C(F)F)n1 ZINC001663389222 1172686299 /nfs/dbraw/zinc/68/62/99/1172686299.db2.gz QKSHPVLRBSOMHG-UHFFFAOYSA-N 0 1 298.337 1.282 10 30 CDEEMN CC#CCN(CC)CCNC(=O)CCCc1ccccn1 ZINC001663447449 1172696536 /nfs/dbraw/zinc/69/65/36/1172696536.db2.gz LPOHTNMTWDCEGN-UHFFFAOYSA-N 0 1 287.407 1.866 10 30 CDEEMN CO[C@@H]1CN(C(=O)N[C@@H]2CCCc3cn[nH]c32)C[C@H]1OC ZINC000330174156 533442503 /nfs/dbraw/zinc/44/25/03/533442503.db2.gz HXTDTRIEQIIDAS-IJLUTSLNSA-N 0 1 294.355 1.047 10 30 CDEEMN Cc1[nH]nc(C(=O)N(C[C@@H](C)C#N)C2CC2)c1[N+](=O)[O-] ZINC000338344913 391197612 /nfs/dbraw/zinc/19/76/12/391197612.db2.gz DMFVUCCFGYFLOA-ZETCQYMHSA-N 0 1 277.284 1.391 10 30 CDEEMN Nc1n[nH]c(C2CCN(CC#Cc3ccc(F)cc3)CC2)n1 ZINC000647932534 391351787 /nfs/dbraw/zinc/35/17/87/391351787.db2.gz GEMSTEDNCUDTKG-UHFFFAOYSA-N 0 1 299.353 1.587 10 30 CDEEMN N#Cc1cccc(N2CCN(CCc3cn[nH]c3)CC2)n1 ZINC000459396748 392430796 /nfs/dbraw/zinc/43/07/96/392430796.db2.gz FUBYIRCTIZRCDA-UHFFFAOYSA-N 0 1 282.351 1.041 10 30 CDEEMN Cc1nc([C@H](C)N2CCN(c3cccc(C#N)n3)CC2)n[nH]1 ZINC000411523295 392812437 /nfs/dbraw/zinc/81/24/37/392812437.db2.gz FBAIJRRUYYFUAL-NSHDSACASA-N 0 1 297.366 1.263 10 30 CDEEMN N#Cc1nc(NC[C@H](O)[C@@H]2CCCO2)sc1Cl ZINC000528144142 393022357 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ZINC001567761906 1168957516 /nfs/dbraw/zinc/95/75/16/1168957516.db2.gz VUBDTNADWZKMTC-CHWSQXEVSA-N 0 1 254.374 1.568 10 30 CDEEMN C=CCN1CCC[C@H](NC(=O)COc2ccc(F)cc2)C1 ZINC001567779678 1168965738 /nfs/dbraw/zinc/96/57/38/1168965738.db2.gz BRJDVAQIFWZUGA-AWEZNQCLSA-N 0 1 292.354 1.971 10 30 CDEEMN C#CCN1CC[C@H](NC(=O)C[C@H](C)c2ccncc2)C1 ZINC001567875819 1169039099 /nfs/dbraw/zinc/03/90/99/1169039099.db2.gz XNRSGHAIGDCRNZ-ZFWWWQNUSA-N 0 1 271.364 1.399 10 30 CDEEMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)COCCC ZINC001569443839 1169881181 /nfs/dbraw/zinc/88/11/81/1169881181.db2.gz BFFZEBOXUPJIOO-CABCVRRESA-N 0 1 278.396 1.502 10 30 CDEEMN Cc1nnsc1CN[C@H](C)[C@@H](C)NC(=O)C#CC(C)C ZINC001570600959 1170205053 /nfs/dbraw/zinc/20/50/53/1170205053.db2.gz FMFSCSWPUGXVSQ-GHMZBOCLSA-N 0 1 294.424 1.489 10 30 CDEEMN Cc1[nH]nc(C(=O)N2Cc3ccc(C#N)cc3C2)c1[N+](=O)[O-] ZINC001570758152 1170274400 /nfs/dbraw/zinc/27/44/00/1170274400.db2.gz IWZXRVUJLDKRSU-UHFFFAOYSA-N 0 1 297.274 1.654 10 30 CDEEMN C#CCC[C@H](O)CNCc1ncc(C2OCCO2)s1 ZINC001651499606 1171329069 /nfs/dbraw/zinc/32/90/69/1171329069.db2.gz GORINOOZZIJMRT-JTQLQIEISA-N 0 1 282.365 1.052 10 30 CDEEMN C=CCn1c(SCc2ncc(C#N)cn2)n[nH]c1=O ZINC001651873763 1171372694 /nfs/dbraw/zinc/37/26/94/1171372694.db2.gz SRFNTZCNFVALQQ-UHFFFAOYSA-N 0 1 274.309 1.124 10 30 CDEEMN C=CCO[C@@H]1CCN(Cc2ccc(C(=O)OC)cn2)C1 ZINC001652011950 1171386488 /nfs/dbraw/zinc/38/64/88/1171386488.db2.gz LNAHWGIHNUQRIA-CQSZACIVSA-N 0 1 276.336 1.645 10 30 CDEEMN COCC#CCN(C)C[C@@H]1CCCCN1C(=O)C1CC1 ZINC001657056019 1171919999 /nfs/dbraw/zinc/91/99/99/1171919999.db2.gz LABCPRXQSYIKMU-HNNXBMFYSA-N 0 1 278.396 1.359 10 30 CDEEMN N#Cc1cncc(CN[C@H](c2nnc[nH]2)c2ccccc2)c1 ZINC001658268658 1172028270 /nfs/dbraw/zinc/02/82/70/1172028270.db2.gz WSXBXWRBVLMGGT-HNNXBMFYSA-N 0 1 290.330 1.951 10 30 CDEEMN C[C@@H](CC#N)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC001659221860 1172108282 /nfs/dbraw/zinc/10/82/82/1172108282.db2.gz COXHJSVOQFJFIN-VIFPVBQESA-N 0 1 294.286 1.954 10 30 CDEEMN C#C[C@H](CO)NC/C(C)=C\c1ccccc1COC ZINC001659753857 1172136243 /nfs/dbraw/zinc/13/62/43/1172136243.db2.gz JXECAOZVTBHNPU-RCBBPTIPSA-N 0 1 259.349 1.820 10 30 CDEEMN C=CCN1CCC[C@@H](NC(=O)COCc2ccncc2)C1 ZINC001660847369 1172290514 /nfs/dbraw/zinc/29/05/14/1172290514.db2.gz GMYUYQURJOESAJ-OAHLLOKOSA-N 0 1 289.379 1.365 10 30 CDEEMN CC#CCN1CC[C@H](NC(=O)CCC2CCOCC2)C1 ZINC001661028081 1172324176 /nfs/dbraw/zinc/32/41/76/1172324176.db2.gz JTYLRAXGPHTFHQ-HNNXBMFYSA-N 0 1 278.396 1.407 10 30 CDEEMN CN(CCNC(=O)C#CC1CC1)Cc1ccc(F)c(C#N)c1 ZINC001663181294 1172652585 /nfs/dbraw/zinc/65/25/85/1172652585.db2.gz ZQGOBIBTPCVLGO-UHFFFAOYSA-N 0 1 299.349 1.659 10 30 CDEEMN CC#CCN(C)CCNC(=O)Cc1cncc2ccccc21 ZINC001663201592 1172655173 /nfs/dbraw/zinc/65/51/73/1172655173.db2.gz ZYUIZWYSEWHZRM-UHFFFAOYSA-N 0 1 295.386 1.849 10 30 CDEEMN C[C@@H](c1cnccn1)N1CC[C@H](CNC(=O)C#CC2CC2)C1 ZINC001663587721 1172730977 /nfs/dbraw/zinc/73/09/77/1172730977.db2.gz QTTYXKLTDMBMNV-DZGCQCFKSA-N 0 1 298.390 1.389 10 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/nfs/dbraw/zinc/73/62/32/1173736232.db2.gz YFGJQHROTWPDDL-BBRMVZONSA-N 0 1 298.402 1.644 10 30 CDEEMN C=C(C)C[NH2+]C[C@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1C ZINC001672273408 1173761042 /nfs/dbraw/zinc/76/10/42/1173761042.db2.gz CCHGQLFATUKHHY-STQMWFEESA-N 0 1 289.379 1.661 10 30 CDEEMN CC#CCN(C)Cc1ccccc1CNC(=O)c1ccn[nH]1 ZINC001672924726 1173810546 /nfs/dbraw/zinc/81/05/46/1173810546.db2.gz AGIYOGSKPXJPQH-UHFFFAOYSA-N 0 1 296.374 1.795 10 30 CDEEMN C#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)c2cnccn2)C1 ZINC001688050543 1174870749 /nfs/dbraw/zinc/87/07/49/1174870749.db2.gz LSPDNSGOPKDLHT-GOEBONIOSA-N 0 1 298.390 1.426 10 30 CDEEMN C#CCN1CCCC[C@H]1CNC(=O)Cn1cc(Cl)cn1 ZINC001690455630 1175476409 /nfs/dbraw/zinc/47/64/09/1175476409.db2.gz VXLJBFHXWMQFAZ-ZDUSSCGKSA-N 0 1 294.786 1.140 10 30 CDEEMN C[C@H](CCNC(=O)Cc1[nH]nc2ccccc21)NCC#N ZINC001690879966 1175599565 /nfs/dbraw/zinc/59/95/65/1175599565.db2.gz WPOWYVUSRLQOQN-LLVKDONJSA-N 0 1 285.351 1.113 10 30 CDEEMN CN(CCNC(=O)C(F)F)Cc1cccc(C#N)c1 ZINC001690919543 1175609723 /nfs/dbraw/zinc/60/97/23/1175609723.db2.gz RXOQFOIAQFYJJL-UHFFFAOYSA-N 0 1 267.279 1.371 10 30 CDEEMN C=CC(C)(C)C(=O)N1CC[C@@H](CN(C)CC(=O)NCC)C1 ZINC001691971778 1175660020 /nfs/dbraw/zinc/66/00/20/1175660020.db2.gz CWDDLUZZCNKPLU-ZDUSSCGKSA-N 0 1 295.427 1.115 10 30 CDEEMN C=CCOCCN1CCC[C@@H](NC(=O)c2occc2C)C1 ZINC001692079062 1175672939 /nfs/dbraw/zinc/67/29/39/1175672939.db2.gz ZRZDRRXXKRNKFX-CQSZACIVSA-N 0 1 292.379 1.985 10 30 CDEEMN C=CCC[C@@H](C)N1CC(NC(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001692209882 1175702441 /nfs/dbraw/zinc/70/24/41/1175702441.db2.gz NCRKYCOTJMLBCQ-CHWSQXEVSA-N 0 1 293.411 1.010 10 30 CDEEMN C[C@H](C#N)C(=O)NCC1CN(Cc2ccsc2)C1 ZINC001692290584 1175726109 /nfs/dbraw/zinc/72/61/09/1175726109.db2.gz BZKCQQMKCNEIER-SNVBAGLBSA-N 0 1 263.366 1.456 10 30 CDEEMN C=C(C)CN1CC[C@H](NC(=O)[C@@H](OCC)C(C)C)C1 ZINC001692398695 1175762326 /nfs/dbraw/zinc/76/23/26/1175762326.db2.gz ZTSCAYZFMBBJMF-KBPBESRZSA-N 0 1 268.401 1.814 10 30 CDEEMN CC#CCN1CC[C@@H](N(C)C(=O)C[C@@H](OCC)C(C)C)C1 ZINC001698563607 1175845227 /nfs/dbraw/zinc/84/52/27/1175845227.db2.gz PTCUJVJJZHLLHL-HZPDHXFCSA-N 0 1 294.439 1.994 10 30 CDEEMN CC#CCN1CC[C@H](N(CC)C(=O)[C@@H](C)CC)C1 ZINC001698577303 1175851577 /nfs/dbraw/zinc/85/15/77/1175851577.db2.gz ONDCNDHAFCLMMT-KBPBESRZSA-N 0 1 250.386 1.979 10 30 CDEEMN CC#CCN1CC[C@@H](N(C)C(=O)CC#Cc2ccccc2)C1 ZINC001698578250 1175853612 /nfs/dbraw/zinc/85/36/12/1175853612.db2.gz SUOCPQSUPZCRJG-GOSISDBHSA-N 0 1 294.398 1.984 10 30 CDEEMN C=CCN1CC2(C1)CCN(C(=O)COCCCOC)CC2 ZINC001698812015 1175941832 /nfs/dbraw/zinc/94/18/32/1175941832.db2.gz VCLXNMQAUMGLJB-UHFFFAOYSA-N 0 1 296.411 1.150 10 30 CDEEMN C#CCCCCC(=O)N[C@H](C)CNCc1cnc(C)cn1 ZINC001699360237 1176313498 /nfs/dbraw/zinc/31/34/98/1176313498.db2.gz KJPBBYBLMTVJAE-CQSZACIVSA-N 0 1 288.395 1.573 10 30 CDEEMN CC#CCN(C)C[C@H](C)NC(=O)c1c2c[nH]nc2ccc1C ZINC001699450062 1176414596 /nfs/dbraw/zinc/41/45/96/1176414596.db2.gz IAMBSHASDGUIPZ-ZDUSSCGKSA-N 0 1 298.390 1.945 10 30 CDEEMN C#CCN(C)C[C@H](C)NC(=O)C[C@H]1CCC(C)(C)CO1 ZINC001699454574 1176418111 /nfs/dbraw/zinc/41/81/11/1176418111.db2.gz JFKSISKNCBQGQL-UONOGXRCSA-N 0 1 280.412 1.651 10 30 CDEEMN C#CCN(C)C[C@@H](C)NC(=O)c1cccc2cc[nH]c21 ZINC001699459984 1176423676 /nfs/dbraw/zinc/42/36/76/1176423676.db2.gz KKZPEEIVYPHEQG-GFCCVEGCSA-N 0 1 269.348 1.851 10 30 CDEEMN CC#CCN(C)C[C@H](C)NC(=O)c1csc2cncn21 ZINC001699464223 1176426216 /nfs/dbraw/zinc/42/62/16/1176426216.db2.gz NQIWKQLKLSVLBJ-NSHDSACASA-N 0 1 290.392 1.469 10 30 CDEEMN C#CCCN1CC[C@H]1CNC(=O)Cc1ccncc1C ZINC001699621266 1176516701 /nfs/dbraw/zinc/51/67/01/1176516701.db2.gz FESVPJOXADPIEV-HNNXBMFYSA-N 0 1 271.364 1.146 10 30 CDEEMN C#CCN(C(=O)/C=C(/C)C1CC1)C1CCN(CC#C)CC1 ZINC001699777702 1176617734 /nfs/dbraw/zinc/61/77/34/1176617734.db2.gz XFLIDSTVCAGXPB-PFONDFGASA-N 0 1 284.403 1.902 10 30 CDEEMN C=CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001700003403 1176712941 /nfs/dbraw/zinc/71/29/41/1176712941.db2.gz 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