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ZINC001317532161 909297451 /nfs/dbraw/zinc/29/74/51/909297451.db2.gz GXCUZWYZWHGMCV-ZDUSSCGKSA-N 0 3 290.367 0.420 20 30 CCEDHN CC#CCN(CCC)CCNC(=O)[C@H]1CCCC(=O)N1C ZINC001317547808 909317730 /nfs/dbraw/zinc/31/77/30/909317730.db2.gz NYMVOAPFSZOCRE-CQSZACIVSA-N 0 3 293.411 0.849 20 30 CCEDHN CC#CCN(CCC)CCNC(=O)C1(C(N)=O)CC1 ZINC001317546984 909320729 /nfs/dbraw/zinc/32/07/29/909320729.db2.gz LTNXKWNLTHNEFP-UHFFFAOYSA-N 0 3 265.357 0.103 20 30 CCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCCN(CCOC)C1CC1 ZINC001317556562 909333831 /nfs/dbraw/zinc/33/38/31/909333831.db2.gz IRFJNJJHCFKXMU-KGLIPLIRSA-N 0 3 282.384 0.805 20 30 CCEDHN C=CCNC(=O)[C@@H](C)NCCN(C)C(=O)C[C@H]1CCOC1 ZINC001317576363 909368147 /nfs/dbraw/zinc/36/81/47/909368147.db2.gz BRZNPBVIMKFVDC-CHWSQXEVSA-N 0 3 297.399 0.152 20 30 CCEDHN CCCNC(=O)CNCCN(C)C(=O)c1ccc(C#N)[nH]1 ZINC001317576937 909370433 /nfs/dbraw/zinc/37/04/33/909370433.db2.gz NTEGGTVMOOICSF-UHFFFAOYSA-N 0 3 291.355 0.074 20 30 CCEDHN C#CCNC(=O)CNCCN(C)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001317605076 909399510 /nfs/dbraw/zinc/39/95/10/909399510.db2.gz FOYLYTDBHJWSER-MGPQQGTHSA-N 0 3 291.395 0.220 20 30 CCEDHN C#CCNCCN(C)C(=O)COCc1ncc(C)o1 ZINC001317609543 909405364 /nfs/dbraw/zinc/40/53/64/909405364.db2.gz OOPANSBLSZBSHJ-UHFFFAOYSA-N 0 3 265.313 0.181 20 30 CCEDHN CC[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)C(C)(C)N(C)CC ZINC001388178240 909408494 /nfs/dbraw/zinc/40/84/94/909408494.db2.gz XGWKZXGXKPGBGX-NEPJUHHUSA-N 0 3 296.415 0.887 20 30 CCEDHN C=CCNC(=O)CNCCN(C)C(=O)[C@H](C)C(F)(F)F ZINC001317618397 909414281 /nfs/dbraw/zinc/41/42/81/909414281.db2.gz HWQYRPBYUVUTSZ-VIFPVBQESA-N 0 3 295.305 0.535 20 30 CCEDHN C#CCNC(=O)CNCCN(C)C(=O)[C@@H](C)C(C)(F)F ZINC001317630232 909427254 /nfs/dbraw/zinc/42/72/54/909427254.db2.gz SGJHQQOYAKVSFW-SNVBAGLBSA-N 0 3 289.326 0.075 20 30 CCEDHN C#CCNCCN(C)C(=O)c1ccc(N2CCCC2)nn1 ZINC001317648656 909442258 /nfs/dbraw/zinc/44/22/58/909442258.db2.gz NSIWNCGJNLSARG-UHFFFAOYSA-N 0 3 287.367 0.372 20 30 CCEDHN CC#CCNCCN(C)C(=O)[C@H](CCCC)NC(N)=O ZINC001317666420 909459756 /nfs/dbraw/zinc/45/97/56/909459756.db2.gz GJOQUTBHZWWHRR-LBPRGKRZSA-N 0 3 282.388 0.285 20 30 CCEDHN C#CCOCCC(=O)N(CCC)[C@@H]1CCN(CCO)C1 ZINC001317760147 909484291 /nfs/dbraw/zinc/48/42/91/909484291.db2.gz ZHVFGZOKPNNOEU-CQSZACIVSA-N 0 3 282.384 0.332 20 30 CCEDHN CC[C@H](CN1CC(CNC(=O)[C@H](C)C#N)C1)OC ZINC001318109994 909626916 /nfs/dbraw/zinc/62/69/16/909626916.db2.gz HPBUNIOIIDNTPX-ZYHUDNBSSA-N 0 3 253.346 0.619 20 30 CCEDHN CC[C@@H](CN1CC(CNC(=O)[C@H](C)C#N)C1)OC ZINC001318109993 909629205 /nfs/dbraw/zinc/62/92/05/909629205.db2.gz HPBUNIOIIDNTPX-PWSUYJOCSA-N 0 3 253.346 0.619 20 30 CCEDHN C#CCCN1CC[C@H](NC(=O)[C@H](CC)NC(C)=O)C1 ZINC001318282417 909687371 /nfs/dbraw/zinc/68/73/71/909687371.db2.gz YVTQOTGYYMCIGW-STQMWFEESA-N 0 3 265.357 0.115 20 30 CCEDHN CC[C@@H](CNC(=O)C#CC(C)(C)C)NCC(=O)N(C)C ZINC001318524330 909798557 /nfs/dbraw/zinc/79/85/57/909798557.db2.gz LAXMEKHGXRQXQQ-LBPRGKRZSA-N 0 3 281.400 0.609 20 30 CCEDHN O=C(C#CC1CC1)N1CCC[C@@H]1CNCC(=O)N1CCC1 ZINC001319069738 909978422 /nfs/dbraw/zinc/97/84/22/909978422.db2.gz JRJLSZSJPLNBRV-CQSZACIVSA-N 0 3 289.379 0.213 20 30 CCEDHN C=C(C)CN1CCO[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001319307851 910087104 /nfs/dbraw/zinc/08/71/04/910087104.db2.gz ILDNWWKDOUFMDA-AWEZNQCLSA-N 0 3 295.427 0.864 20 30 CCEDHN C=CCCN1CCO[C@@H](CNC(=O)[C@H](CC)N(C)C)C1 ZINC001319323151 910096967 /nfs/dbraw/zinc/09/69/67/910096967.db2.gz VBHXJVJXJSEDDM-KBPBESRZSA-N 0 3 283.416 0.720 20 30 CCEDHN C[C@@H](C#N)C(=O)N(C)[C@@H](C)CNCc1cncn1C ZINC001319437811 910146405 /nfs/dbraw/zinc/14/64/05/910146405.db2.gz WUGXITIOAYMJML-QWRGUYRKSA-N 0 3 263.345 0.516 20 30 CCEDHN C#CCNC(=O)CNC[C@H](C)N(C)C(=O)C1(CCC)CC1 ZINC001319528439 910188740 /nfs/dbraw/zinc/18/87/40/910188740.db2.gz QKUGCALXLUQJCG-ZDUSSCGKSA-N 0 3 293.411 0.753 20 30 CCEDHN CC(C)[C@H](CNC(=O)CC1(C)CC1)NCC(=O)NCC#N ZINC001319927936 910355484 /nfs/dbraw/zinc/35/54/84/910355484.db2.gz JDORXIXBEQWOGK-LBPRGKRZSA-N 0 3 294.399 0.547 20 30 CCEDHN C#CCNC(=O)CN[C@@H](CNC(=O)[C@H](F)CC)C(C)C ZINC001319934978 910358104 /nfs/dbraw/zinc/35/81/04/910358104.db2.gz HLQORBYYAZOXCH-NEPJUHHUSA-N 0 3 285.363 0.214 20 30 CCEDHN C=CCN(C)CCN(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001319990357 910400670 /nfs/dbraw/zinc/40/06/70/910400670.db2.gz NWSPGDXZWBYDBY-LLVKDONJSA-N 0 3 253.346 0.089 20 30 CCEDHN C=CCN(C)CCN(C)C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001320062486 910441601 /nfs/dbraw/zinc/44/16/01/910441601.db2.gz WCIHIRQJWGTIDL-UHFFFAOYSA-N 0 3 289.339 0.625 20 30 CCEDHN C#CCCCC(=O)NC[C@@H](O)CNCc1cn(C)nc1C ZINC001320213471 910524765 /nfs/dbraw/zinc/52/47/65/910524765.db2.gz GUKNGNNJQSNFCP-AWEZNQCLSA-N 0 3 292.383 0.099 20 30 CCEDHN C[C@@H](C#N)C(=O)NCC[C@H](C)NCc1cc2n(n1)CCC2 ZINC001390647329 910566271 /nfs/dbraw/zinc/56/62/71/910566271.db2.gz PUTMCMMZJZMFJX-RYUDHWBXSA-N 0 3 289.383 0.973 20 30 CCEDHN C[C@@H](C#N)C(=O)NCCN(C)CCO[C@H]1CC1(F)F ZINC001390743102 910615219 /nfs/dbraw/zinc/61/52/19/910615219.db2.gz UHRDQECDRCMCSU-UWVGGRQHSA-N 0 3 275.299 0.618 20 30 CCEDHN CC#CCNCCN(CC)C(=O)Cc1cnn(C)c1 ZINC001320693849 910808484 /nfs/dbraw/zinc/80/84/84/910808484.db2.gz TZPBWAZSIWZLKP-UHFFFAOYSA-N 0 3 262.357 0.424 20 30 CCEDHN CCN(CCNCC#CCOC)C(=O)Cn1cncc1C ZINC001320797161 910871314 /nfs/dbraw/zinc/87/13/14/910871314.db2.gz BEEZKKCNXKGTDT-UHFFFAOYSA-N 0 3 292.383 0.279 20 30 CCEDHN C#CCNC/C=C\CNC(=O)Cn1cc(C2CC2)nn1 ZINC001321092446 911082722 /nfs/dbraw/zinc/08/27/22/911082722.db2.gz QMZATEJULDEJFJ-ARJAWSKDSA-N 0 3 273.340 0.051 20 30 CCEDHN CC#CCNC/C=C\CNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001321146958 911119658 /nfs/dbraw/zinc/11/96/58/911119658.db2.gz ZHXBPNGIYDEFRC-DSYXLKISSA-N 0 3 292.383 0.062 20 30 CCEDHN CC#CCNC/C=C\CNC(=O)c1cc(OCC)no1 ZINC001321160679 911125597 /nfs/dbraw/zinc/12/55/97/911125597.db2.gz ZWHNHTFZMYHHNY-SREVYHEPSA-N 0 3 277.324 0.972 20 30 CCEDHN CC#CCNC/C=C\CNC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001321251748 911193282 /nfs/dbraw/zinc/19/32/82/911193282.db2.gz LYSHJCNDRFZQAQ-HLMASZERSA-N 0 3 286.379 0.809 20 30 CCEDHN C#CCNC[C@@H](C)NC(=O)COc1c(C)occc1=O ZINC001321585397 911385072 /nfs/dbraw/zinc/38/50/72/911385072.db2.gz BNXKAVRAIAVUQN-SNVBAGLBSA-N 0 3 278.308 0.055 20 30 CCEDHN COCC#CCNC[C@@H](C)NC(=O)c1cc2c([nH]1)CCC2 ZINC001321710099 911452413 /nfs/dbraw/zinc/45/24/13/911452413.db2.gz KOKMVCYLJJDKII-GFCCVEGCSA-N 0 3 289.379 0.861 20 30 CCEDHN CCN1CC[C@H](NC[C@H](C)NC(=O)C#CC2CC2)C1=O ZINC001321842895 911523016 /nfs/dbraw/zinc/52/30/16/911523016.db2.gz ZPNWIWPNPIFYFX-AAEUAGOBSA-N 0 3 277.368 0.115 20 30 CCEDHN C#CCNC[C@H](C)NC(=O)c1coc(S(C)(=O)=O)c1 ZINC001321848285 911527588 /nfs/dbraw/zinc/52/75/88/911527588.db2.gz DZHLNJIBZACFKJ-VIFPVBQESA-N 0 3 284.337 0.024 20 30 CCEDHN CC[C@H](NC[C@H](C)N(C)C(=O)c1cc(C#N)c[nH]1)C(N)=O ZINC001392056151 911549624 /nfs/dbraw/zinc/54/96/24/911549624.db2.gz CJTBOGACAMUPTO-ONGXEEELSA-N 0 3 291.355 0.200 20 30 CCEDHN COCC#CCNC[C@H](C)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001321929361 911571755 /nfs/dbraw/zinc/57/17/55/911571755.db2.gz HHDQGXJRUWBNSX-DEPYFDJDSA-N 0 3 292.379 0.154 20 30 CCEDHN CCN(CCN[C@@H](C)C(=O)NC)C(=O)c1cc(C#N)c[nH]1 ZINC001392437236 911801137 /nfs/dbraw/zinc/80/11/37/911801137.db2.gz APTTYQVXROBFSI-JTQLQIEISA-N 0 3 291.355 0.073 20 30 CCEDHN C[C@H](C#N)C(=O)N[C@@H](C)CNCC(=O)N1CCC(C)CC1 ZINC001392548692 911918987 /nfs/dbraw/zinc/91/89/87/911918987.db2.gz DZSHSPATJLHVPC-OLZOCXBDSA-N 0 3 294.399 0.499 20 30 CCEDHN C=C(C)CCC(=O)N[C@@H](CNCC(N)=O)C1CC1 ZINC001323007380 912066990 /nfs/dbraw/zinc/06/69/90/912066990.db2.gz RLEPAROLIDYDJR-NSHDSACASA-N 0 3 253.346 0.312 20 30 CCEDHN C=CCNC(=O)[C@@H](C)NC[C@@H](NC(=O)C1(C)CC1)C1CC1 ZINC001323006694 912068135 /nfs/dbraw/zinc/06/81/35/912068135.db2.gz PAKAZKOWCAZEFZ-DGCLKSJQSA-N 0 3 293.411 0.962 20 30 CCEDHN CC(C)(C(=O)NC[C@H]1CCN1CC#N)N1CCCCC1 ZINC001323227108 912200450 /nfs/dbraw/zinc/20/04/50/912200450.db2.gz RBESPQYRMTZHNS-CYBMUJFWSA-N 0 3 278.400 0.965 20 30 CCEDHN C[C@H](CNC(=O)[C@@H](C)C#N)NCC(=O)N(C)CC1CC1 ZINC001398872894 914900656 /nfs/dbraw/zinc/90/06/56/914900656.db2.gz GRZHYEUEELCUFB-WDEREUQCSA-N 0 3 280.372 0.109 20 30 CCEDHN C=CCN1CC[C@H](NC(=O)CNC(=O)CC)C(C)(C)C1 ZINC001328069545 914955003 /nfs/dbraw/zinc/95/50/03/914955003.db2.gz YTZVYRANYQQYCE-LBPRGKRZSA-N 0 3 281.400 0.915 20 30 CCEDHN C#CCOCCN1CCC(NC(=O)c2cc(C)on2)CC1 ZINC001328393303 915164155 /nfs/dbraw/zinc/16/41/55/915164155.db2.gz FVBMYQNXDCCDIQ-UHFFFAOYSA-N 0 3 291.351 0.827 20 30 CCEDHN C=C[C@@H](COC)NC(=O)N(CC)[C@H]1CCN(C)C1 ZINC001328603984 915299925 /nfs/dbraw/zinc/29/99/25/915299925.db2.gz ZHHCRDOFAKDERB-RYUDHWBXSA-N 0 3 255.362 0.923 20 30 CCEDHN C=CCOCCN(C)C[C@@H]1CCCN1C(=O)CNC(C)=O ZINC001328704560 915367400 /nfs/dbraw/zinc/36/74/00/915367400.db2.gz QDACDVKZEKPDLA-AWEZNQCLSA-N 0 3 297.399 0.248 20 30 CCEDHN C=CCN(C)C[C@@H]1CCCN1C(=O)Cn1ccccc1=O ZINC001328787970 915431776 /nfs/dbraw/zinc/43/17/76/915431776.db2.gz ZZONGFZXUXBUNR-AWEZNQCLSA-N 0 3 289.379 0.957 20 30 CCEDHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)NCCCC#N ZINC001328846716 915469034 /nfs/dbraw/zinc/46/90/34/915469034.db2.gz ZQAUQIHMNUOACF-CYBMUJFWSA-N 0 3 294.399 0.787 20 30 CCEDHN CCOC(=O)N1CCC(NC(=O)[C@H](N)CCCC#N)CC1 ZINC001329034460 915607817 /nfs/dbraw/zinc/60/78/17/915607817.db2.gz AJZHXYCSIRDPNR-GFCCVEGCSA-N 0 3 296.371 0.745 20 30 CCEDHN N#CCCC[C@H](N)C(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC001329037746 915612557 /nfs/dbraw/zinc/61/25/57/915612557.db2.gz WACFGGCXHDGCKM-RYUDHWBXSA-N 0 3 291.355 0.879 20 30 CCEDHN CC#CCN1CC([C@@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001330085573 916408004 /nfs/dbraw/zinc/40/80/04/916408004.db2.gz MFABGOJLKIBMCW-CYBMUJFWSA-N 0 3 265.401 0.786 20 30 CCEDHN C=CCOCCN1C[C@@H](NC(=O)COC)C(C)(C)C1 ZINC001330170691 916447752 /nfs/dbraw/zinc/44/77/52/916447752.db2.gz MJBLYRKBZIEENT-GFCCVEGCSA-N 0 3 270.373 0.662 20 30 CCEDHN CCN(CCC#N)C(=O)CNC[C@H](C)NC(=O)C1CC1 ZINC001401674443 916461980 /nfs/dbraw/zinc/46/19/80/916461980.db2.gz ZPDSMRPNXRPONI-NSHDSACASA-N 0 3 280.372 0.253 20 30 CCEDHN CC[C@H](NC1(CNC(=O)c2c[nH]c(C#N)c2)CC1)C(N)=O ZINC001401941675 916725201 /nfs/dbraw/zinc/72/52/01/916725201.db2.gz YKWUVUMHNRNONY-NSHDSACASA-N 0 3 289.339 0.002 20 30 CCEDHN C=C(Cl)CNCCC[C@H](C)NC(=O)CNC(C)=O ZINC001330725590 916818363 /nfs/dbraw/zinc/81/83/63/916818363.db2.gz RDPLULQISUFPQT-JTQLQIEISA-N 0 3 275.780 0.750 20 30 CCEDHN CN1CCC(C#N)(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001330852984 916920131 /nfs/dbraw/zinc/92/01/31/916920131.db2.gz HNPAIBIPGYMGAN-GHMZBOCLSA-N 0 3 273.340 0.617 20 30 CCEDHN Cc1ccoc1C(=O)N(C)C[C@@H](C)NCC(=O)NCC#N ZINC001331390939 917301589 /nfs/dbraw/zinc/30/15/89/917301589.db2.gz WVGDSEXLIDXWAX-LLVKDONJSA-N 0 3 292.339 0.278 20 30 CCEDHN Cc1nc(CN[C@@H](C)CN(C)C(=O)[C@H](C)C#N)n[nH]1 ZINC001331404914 917307859 /nfs/dbraw/zinc/30/78/59/917307859.db2.gz IWZXJNHPROGYOY-BDAKNGLRSA-N 0 3 264.333 0.209 20 30 CCEDHN C[C@H](CN(C)C(=O)C#CC(C)(C)C)N[C@H]1CCCNC1=O ZINC001331439432 917333558 /nfs/dbraw/zinc/33/35/58/917333558.db2.gz NDJMWXAJTQGDEY-OLZOCXBDSA-N 0 3 293.411 0.751 20 30 CCEDHN CC#CCN[C@@H](C)CN(C)C(=O)Cc1nc(CC)c[nH]1 ZINC001331473659 917359305 /nfs/dbraw/zinc/35/93/05/917359305.db2.gz HFCZYUVKGKVBLM-LBPRGKRZSA-N 0 3 276.384 0.974 20 30 CCEDHN C=CCC(C)(C)C(=O)N(C)C[C@@H](C)NCC(=O)NC(N)=O ZINC001331576232 917429347 /nfs/dbraw/zinc/42/93/47/917429347.db2.gz NGDVJQOZZIBIDC-SNVBAGLBSA-N 0 3 298.387 0.220 20 30 CCEDHN C=CCN[C@@H](CO)CNC(=O)C(C)(C)c1cccnc1 ZINC001331740012 917562820 /nfs/dbraw/zinc/56/28/20/917562820.db2.gz NXNSDDLCJMBTIR-CYBMUJFWSA-N 0 3 277.368 0.612 20 30 CCEDHN C=CCN[C@H](CO)CNC(=O)C[C@@H](C)n1ccc(C)n1 ZINC001331772687 917594001 /nfs/dbraw/zinc/59/40/01/917594001.db2.gz QDAJRYCHMXSJQJ-OLZOCXBDSA-N 0 3 280.372 0.395 20 30 CCEDHN C=CCN[C@@H](CO)CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001331789001 917611490 /nfs/dbraw/zinc/61/14/90/917611490.db2.gz DOYNSRGLWBGNGB-IJLUTSLNSA-N 0 3 264.325 0.636 20 30 CCEDHN C=CCN[C@@H](CO)CNC(=O)c1cc(C)cc2c[nH]nc21 ZINC001331807016 917625768 /nfs/dbraw/zinc/62/57/68/917625768.db2.gz 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/nfs/dbraw/zinc/50/30/70/809503070.db2.gz VYHZXKPNDCXOMF-SNVBAGLBSA-N 0 3 261.281 0.083 20 30 CCEDHN C=CCOCC(=O)N[C@@H]1CN(CC2CC(C)C2)C[C@@H]1O ZINC001263721258 809556202 /nfs/dbraw/zinc/55/62/02/809556202.db2.gz LOCUJWPSENWETA-PQAZSJQKSA-N 0 3 282.384 0.396 20 30 CCEDHN C=CCN1C[C@@H]2CCN(C(=O)[C@@H]3CCN(C(C)=O)C3)[C@@H]2C1 ZINC001076508389 815303999 /nfs/dbraw/zinc/30/39/99/815303999.db2.gz UKVJZZOYHKSMKU-RRFJBIMHSA-N 0 3 291.395 0.574 20 30 CCEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@@H](C)COC)C[C@@H]2C1 ZINC001264640320 809667825 /nfs/dbraw/zinc/66/78/25/809667825.db2.gz RHCZFINIXAZRMH-MJBXVCDLSA-N 0 3 264.369 0.682 20 30 CCEDHN C#CCN(C)CCOCCN(C)C(=O)Cc1cscn1 ZINC001264668102 809670700 /nfs/dbraw/zinc/67/07/00/809670700.db2.gz ZFXCISZOPWMXOA-UHFFFAOYSA-N 0 3 295.408 0.726 20 30 CCEDHN CC[C@@H](C(N)=O)N(CCCNC(=O)C#CC1CC1)C1CC1 ZINC001265161555 809719362 /nfs/dbraw/zinc/71/93/62/809719362.db2.gz RNESRFLQJHPYBI-AWEZNQCLSA-N 0 3 291.395 0.634 20 30 CCEDHN CN(C(=O)CSCC#N)C1CCN(CCO)CC1 ZINC001265188468 809721092 /nfs/dbraw/zinc/72/10/92/809721092.db2.gz XUQIIXQPHYMDPW-UHFFFAOYSA-N 0 3 271.386 0.158 20 30 CCEDHN C=C(C)CN1CC[C@H](NC(=O)[C@@H](CCCC)NC(N)=O)C1 ZINC001265319823 809756439 /nfs/dbraw/zinc/75/64/39/809756439.db2.gz SDDNKNFURROLDN-QWHCGFSZSA-N 0 3 296.415 0.980 20 30 CCEDHN C#CCCN1CC[C@H](NC(=O)[C@@H](C)CN2CCOCC2)C1 ZINC001265317270 809756603 /nfs/dbraw/zinc/75/66/03/809756603.db2.gz MHFKRJBISVJVQE-GJZGRUSLSA-N 0 3 293.411 0.169 20 30 CCEDHN C#CCNC(=O)CN[C@@H](CNC(=O)C=C1CCC1)C1CC1 ZINC001265351803 809762065 /nfs/dbraw/zinc/76/20/65/809762065.db2.gz DXTVDFCIAHRSCS-AWEZNQCLSA-N 0 3 289.379 0.331 20 30 CCEDHN C=C1CC(C)(C(=O)NC[C@@H](N[C@H](C)C(N)=O)C2CC2)C1 ZINC001265369800 809766713 /nfs/dbraw/zinc/76/67/13/809766713.db2.gz DPFIJDUXMLNQNG-ZYHUDNBSSA-N 0 3 279.384 0.701 20 30 CCEDHN C#CCCCC(=O)N1CC[C@H](NCC(=O)NC(C)C)C1 ZINC001265427605 809777165 /nfs/dbraw/zinc/77/71/65/809777165.db2.gz OQSUPWSBXNUQNF-ZDUSSCGKSA-N 0 3 279.384 0.505 20 30 CCEDHN Cc1nc(CN[C@H]2CCN(C(=O)C#CC(C)C)C2)n[nH]1 ZINC001265428868 809777337 /nfs/dbraw/zinc/77/73/37/809777337.db2.gz DQBOOGOWDFLWJL-LBPRGKRZSA-N 0 3 275.356 0.463 20 30 CCEDHN C#CCO[C@@H](C)C(=O)N[C@H]1C[C@H](NCc2ccnn2C)C1 ZINC001265476837 809788358 /nfs/dbraw/zinc/78/83/58/809788358.db2.gz RQRHZZRAIBGXKH-AVGNSLFASA-N 0 3 290.367 0.195 20 30 CCEDHN COCC#CCN1CC[C@H]2[C@H](CCCN2C(=O)COC)C1 ZINC001265520345 809795304 /nfs/dbraw/zinc/79/53/04/809795304.db2.gz DIUBUDQCIUBCIE-CABCVRRESA-N 0 3 294.395 0.596 20 30 CCEDHN C#CCN1CCC[C@@H](CNC(=O)Cn2nc(C)cc2C)C1 ZINC001265586772 809809720 /nfs/dbraw/zinc/80/97/20/809809720.db2.gz NSADDMZOKDZTBT-HNNXBMFYSA-N 0 3 288.395 0.961 20 30 CCEDHN C#CCN1CCC[C@@H]([C@@H](C)NC(=O)CNC(=O)CC)C1 ZINC001265700197 809827934 /nfs/dbraw/zinc/82/79/34/809827934.db2.gz ODOCIXVVIKYZRF-CHWSQXEVSA-N 0 3 279.384 0.363 20 30 CCEDHN COCC#CCN[C@H](C)CNC(=O)C[C@H](C)OC ZINC001265756676 809841875 /nfs/dbraw/zinc/84/18/75/809841875.db2.gz JPTMWDMITNKCBK-NEPJUHHUSA-N 0 3 256.346 0.156 20 30 CCEDHN CCNC(=O)CN[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001265772411 809848279 /nfs/dbraw/zinc/84/82/79/809848279.db2.gz APJMQRHZHOIUJC-LLVKDONJSA-N 0 3 267.373 0.266 20 30 CCEDHN C[C@H](CNC(=O)C#CC1CC1)NCc1cnn(C)c1 ZINC001265772843 809848815 /nfs/dbraw/zinc/84/88/15/809848815.db2.gz KDEZKMWWLYKCGV-LLVKDONJSA-N 0 3 260.341 0.428 20 30 CCEDHN CC#CCCCC(=O)NC[C@@H](C)NCC(=O)N(C)C1CC1 ZINC001265810603 809858506 /nfs/dbraw/zinc/85/85/06/809858506.db2.gz CBQMNVYGQOFHAI-CYBMUJFWSA-N 0 3 293.411 0.895 20 30 CCEDHN C=C(C)C(C)(C)C(=O)NC[C@H](C)NCC(=O)N1CCC1 ZINC001265808926 809858684 /nfs/dbraw/zinc/85/86/84/809858684.db2.gz NNARJINACHAKQX-LBPRGKRZSA-N 0 3 281.400 0.915 20 30 CCEDHN C#CCNC(=O)CN[C@@H](C)CNC(=O)C/C=C(\C)C=C ZINC001265810652 809858894 /nfs/dbraw/zinc/85/88/94/809858894.db2.gz CRPUCWOFBXMDFQ-WHGQRRHOSA-N 0 3 277.368 0.353 20 30 CCEDHN CN(CCCNC(=O)C#CC1CC1)[C@H]1CCCNC1=O ZINC001265842986 809872814 /nfs/dbraw/zinc/87/28/14/809872814.db2.gz RSWPVQRFNUNNMT-ZDUSSCGKSA-N 0 3 277.368 0.117 20 30 CCEDHN CC#CCN[C@H](C)CNC(=O)C[C@@H]1NC(=O)c2ccccc21 ZINC001265844297 809873336 /nfs/dbraw/zinc/87/33/36/809873336.db2.gz YOHSYJIMKRFBBM-DOMZBBRYSA-N 0 3 299.374 0.979 20 30 CCEDHN C#CCN(C)CCCNC(=O)[C@H]1OCC[C@H]1CC ZINC001265864179 809879721 /nfs/dbraw/zinc/87/97/21/809879721.db2.gz CJPHYZJVPYFGGK-OLZOCXBDSA-N 0 3 252.358 0.873 20 30 CCEDHN C=C[C@H](C(=O)NC[C@@H](C)NCC(N)=O)c1ccccc1 ZINC001265870556 809881079 /nfs/dbraw/zinc/88/10/79/809881079.db2.gz RSTGELVCPOFFBR-YPMHNXCESA-N 0 3 275.352 0.536 20 30 CCEDHN CC#CCN[C@@H](C)CNC(=O)c1cnc(OCC)cn1 ZINC001265876601 809882500 /nfs/dbraw/zinc/88/25/00/809882500.db2.gz XQIIDPWLGOUOQW-NSHDSACASA-N 0 3 276.340 0.607 20 30 CCEDHN C#CCNC(=O)CN[C@H]1CCN(C(=O)[C@](C)(C=C)CC)C1 ZINC001265928622 809897655 /nfs/dbraw/zinc/89/76/55/809897655.db2.gz JXXIBJDATFNDMK-XJKSGUPXSA-N 0 3 291.395 0.529 20 30 CCEDHN C#CCNC(=O)[C@H](C)N(CC)CCCNC(=O)C(C)(C)C ZINC001266103417 809937973 /nfs/dbraw/zinc/93/79/73/809937973.db2.gz ZGXFSKGWLGECLU-ZDUSSCGKSA-N 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TWAKNMQIWQOTJA-LBPRGKRZSA-N 0 3 297.399 0.281 20 30 CCEDHN C=CCCN1CCC[C@](CO)(NC(=O)C#CC2CC2)C1 ZINC001279479944 809982787 /nfs/dbraw/zinc/98/27/87/809982787.db2.gz NCQMMFKHSUXOHS-INIZCTEOSA-N 0 3 276.380 0.919 20 30 CCEDHN CC#CCNCCN(CCO)C(=O)[C@H]1CCOC[C@@H]1C ZINC001279820965 809997024 /nfs/dbraw/zinc/99/70/24/809997024.db2.gz RPLCWHLZNGLBFG-KBPBESRZSA-N 0 3 282.384 0.093 20 30 CCEDHN C#Cc1ccc(C(=O)N(CCO)CCNCCF)nc1 ZINC001279886489 809999160 /nfs/dbraw/zinc/99/91/60/809999160.db2.gz MTESXHVPQHKGRS-UHFFFAOYSA-N 0 3 279.315 0.057 20 30 CCEDHN C#CCN[C@H](C)c1ccc(CNC(=O)CNC(C)=O)cc1 ZINC001280340107 810010912 /nfs/dbraw/zinc/01/09/12/810010912.db2.gz HDFOFMOGSRZSHQ-GFCCVEGCSA-N 0 3 287.363 0.723 20 30 CCEDHN C=CCN1CC[C@H](NC2(CNC(=O)C3CC3)CCC2)C1=O ZINC001280463194 810022521 /nfs/dbraw/zinc/02/25/21/810022521.db2.gz DNSMFYFXDLKLRL-ZDUSSCGKSA-N 0 3 291.395 0.812 20 30 CCEDHN C#CCNC1(CNC(=O)CCC(=O)NCC)CCC1 ZINC001280471018 810024275 /nfs/dbraw/zinc/02/42/75/810024275.db2.gz LJPFMOGWYJGLMW-UHFFFAOYSA-N 0 3 265.357 0.164 20 30 CCEDHN C#CCNC1(CNC(=O)c2ccc3n[nH]c(=O)n3c2)CCC1 ZINC001280522075 810027650 /nfs/dbraw/zinc/02/76/50/810027650.db2.gz JJDADOJWALKHHF-UHFFFAOYSA-N 0 3 299.334 0.310 20 30 CCEDHN CC#CCNC1(CNC(=O)CCc2cn[nH]c2)CCC1 ZINC001280523309 810027939 /nfs/dbraw/zinc/02/79/39/810027939.db2.gz SBZLCZWMPUBTCY-UHFFFAOYSA-N 0 3 274.368 0.994 20 30 CCEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2cn(C)nc2C)C1 ZINC001076815612 815380845 /nfs/dbraw/zinc/38/08/45/815380845.db2.gz GSPFFOGFQIPGKY-ZIAGYGMSSA-N 0 3 292.383 0.470 20 30 CCEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC001076812771 815383260 /nfs/dbraw/zinc/38/32/60/815383260.db2.gz SYDCHIAAOVCPDO-HZSPNIEDSA-N 0 3 281.400 0.208 20 30 CCEDHN C=C(C)CCN1C[C@@H](O)[C@H](NC(=O)c2ccncc2F)C1 ZINC001076830899 815387496 /nfs/dbraw/zinc/38/74/96/815387496.db2.gz NWVQOBBPBDGECV-ZIAGYGMSSA-N 0 3 293.342 0.962 20 30 CCEDHN N#Cc1cc(C(=O)N[C@@H]2CN(CC3CCC3)C[C@H]2O)c[nH]1 ZINC001076906142 815409433 /nfs/dbraw/zinc/40/94/33/815409433.db2.gz OORDNBSIXYXLFH-ZIAGYGMSSA-N 0 3 288.351 0.461 20 30 CCEDHN COCC#CCN1CC[C@@H](CNC(=O)C2CCOCC2)C1 ZINC001267282091 811090705 /nfs/dbraw/zinc/09/07/05/811090705.db2.gz AOIPQQDGVCMJBP-AWEZNQCLSA-N 0 3 294.395 0.501 20 30 CCEDHN C#Cc1ccc(C(=O)NCCN(CCO)C2CC2)cc1 ZINC001267330833 811164030 /nfs/dbraw/zinc/16/40/30/811164030.db2.gz OMGJNQUJCYAFQF-UHFFFAOYSA-N 0 3 272.348 0.854 20 30 CCEDHN C[C@@H](C#N)C(=O)N(C)CCNCC(=O)NCc1ccco1 ZINC001267354919 811203500 /nfs/dbraw/zinc/20/35/00/811203500.db2.gz CLZHFDKEGJYRLZ-NSHDSACASA-N 0 3 292.339 0.103 20 30 CCEDHN C=CCN1CC[C@H](NCCN(C)C(=O)[C@H](F)CC)C1=O ZINC001267414736 811289517 /nfs/dbraw/zinc/28/95/17/811289517.db2.gz OQVOHXOWCMZVJW-NEPJUHHUSA-N 0 3 285.363 0.569 20 30 CCEDHN C=C(Cl)CNCCN(C)C(=O)CCc1cn[nH]n1 ZINC001267430861 811303234 /nfs/dbraw/zinc/30/32/34/811303234.db2.gz XOGXIFAFMJBXKV-UHFFFAOYSA-N 0 3 271.752 0.538 20 30 CCEDHN C=C(Cl)CNCCN(C)C(=O)CCc1c[nH]nn1 ZINC001267430861 811303246 /nfs/dbraw/zinc/30/32/46/811303246.db2.gz XOGXIFAFMJBXKV-UHFFFAOYSA-N 0 3 271.752 0.538 20 30 CCEDHN CCN(CCC#N)C(=O)CNCCNC(=O)[C@H]1CC1(C)C ZINC001125782445 811335787 /nfs/dbraw/zinc/33/57/87/811335787.db2.gz GEGAZPNAZKQSHF-GFCCVEGCSA-N 0 3 294.399 0.500 20 30 CCEDHN COCC#CCNCCN(C)C(=O)Cc1c(C)n[nH]c1C ZINC001267467625 811346111 /nfs/dbraw/zinc/34/61/11/811346111.db2.gz IXCRGXUAHLMIPO-UHFFFAOYSA-N 0 3 292.383 0.267 20 30 CCEDHN CN(CC(=O)NCC[C@@H]1CCN(CC#N)C1)C1CCC1 ZINC001267536490 811417586 /nfs/dbraw/zinc/41/75/86/811417586.db2.gz UJEQGHTXZWQSPP-CYBMUJFWSA-N 0 3 278.400 0.822 20 30 CCEDHN CCO[C@H](C)C(=O)NCC[C@H]1CCN(CC#CCOC)C1 ZINC001267551114 811431686 /nfs/dbraw/zinc/43/16/86/811431686.db2.gz KRPGCVIIFKDGFE-CABCVRRESA-N 0 3 296.411 0.889 20 30 CCEDHN C=CCn1cccc1C(=O)N[C@@H]1CN(CC2CC2)C[C@H]1O ZINC001077138615 815450078 /nfs/dbraw/zinc/45/00/78/815450078.db2.gz LBXSCRDDWWDHJD-UKRRQHHQSA-N 0 3 289.379 0.859 20 30 CCEDHN C=CCNC(=O)[C@H](C)NCCNC(=O)CO[C@@H](C)CC ZINC001125830996 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30 CCEDHN N#CC1(CNC(=O)NC[C@H]2CCCCN2CCO)CCC1 ZINC000419650658 389903391 /nfs/dbraw/zinc/90/33/91/389903391.db2.gz VISVENPHZPKCMP-CYBMUJFWSA-N 0 3 294.399 0.826 20 30 CCEDHN CCO[C@@H]1C[C@@](CO)(NC(=O)C(C)C#N)C1(C)C ZINC000444574185 389909317 /nfs/dbraw/zinc/90/93/17/389909317.db2.gz QOHAXBONZISRBT-BREBYQMCSA-N 0 3 254.330 0.828 20 30 CCEDHN CN1CCN(C)[C@H](CN[C@H]2CCC[C@H](C#N)C2)C1 ZINC000447535801 389957237 /nfs/dbraw/zinc/95/72/37/389957237.db2.gz IMRZEAQQOKYZAT-MELADBBJSA-N 0 3 250.390 0.904 20 30 CCEDHN C=CCCN(C)C(=O)C(=O)N[C@@H](CN)CCCC ZINC000420146549 389958332 /nfs/dbraw/zinc/95/83/32/389958332.db2.gz QRKFVLCSYBVMKF-LLVKDONJSA-N 0 3 255.362 0.655 20 30 CCEDHN N#CC1(C(=O)NC[C@H](O)CN2CCCCC2)CCOCC1 ZINC000434424321 389933771 /nfs/dbraw/zinc/93/37/71/389933771.db2.gz ZDJCIPZGKCJJCH-ZDUSSCGKSA-N 0 3 295.383 0.270 20 30 CCEDHN COC[C@H](NCCC(=O)N(C)CCC#N)[C@@H]1CCCO1 ZINC000434782633 389945586 /nfs/dbraw/zinc/94/55/86/389945586.db2.gz GREWSDGCMSPRAU-STQMWFEESA-N 0 3 283.372 0.532 20 30 CCEDHN COC[C@H](N[C@@H](C)C(=O)N(C)CCC#N)[C@H]1CCCO1 ZINC000434795921 389946601 /nfs/dbraw/zinc/94/66/01/389946601.db2.gz SJXDXBMYAUUOCD-RWMBFGLXSA-N 0 3 283.372 0.531 20 30 CCEDHN C=CCN(C)C(=O)C(=O)N[C@@H](CN)C1CCCC1 ZINC000420087180 389952552 /nfs/dbraw/zinc/95/25/52/389952552.db2.gz PLLKDMJOSAZRNY-NSHDSACASA-N 0 3 253.346 0.265 20 30 CCEDHN C=C[C@](C)(O)CC(=O)N1CCN(CCN(C)C)CC1 ZINC000448601784 389989162 /nfs/dbraw/zinc/98/91/62/389989162.db2.gz XHSDHHRSPIMUPD-AWEZNQCLSA-N 0 3 269.389 0.019 20 30 CCEDHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000437991895 389999249 /nfs/dbraw/zinc/99/92/49/389999249.db2.gz IRHNZJLRISZLSP-VNHYZAJKSA-N 0 3 297.399 0.333 20 30 CCEDHN CN(CC(=O)N(CCC#N)CCC#N)[C@H]1CC[C@H](O)CC1 ZINC000439268091 390017857 /nfs/dbraw/zinc/01/78/57/390017857.db2.gz SZMYHHZCCIXDOX-HDJSIYSDSA-N 0 3 292.383 0.878 20 30 CCEDHN C[C@H](C#N)CN(C)C(=O)NCCOCCN(C)C ZINC000471666293 390078840 /nfs/dbraw/zinc/07/88/40/390078840.db2.gz VTZOHUARYASSOZ-LLVKDONJSA-N 0 3 256.350 0.366 20 30 CCEDHN COC(=O)C[C@H](C)N1CCN(C(=O)C(C)C#N)CC1 ZINC000471761285 390079348 /nfs/dbraw/zinc/07/93/48/390079348.db2.gz SUAWEQQVEYHNGF-QWRGUYRKSA-N 0 3 267.329 0.242 20 30 CCEDHN C#CCN(C)CCCNC(=O)N[C@@H](CC)[C@H](O)C(F)F ZINC000491298947 390111644 /nfs/dbraw/zinc/11/16/44/390111644.db2.gz XOLQZCGQNRSNME-QWRGUYRKSA-N 0 3 291.342 0.645 20 30 CCEDHN C#CCN(C)CCCNC(=O)N[C@H]1C[C@@H]1OCC ZINC000491374513 390112527 /nfs/dbraw/zinc/11/25/27/390112527.db2.gz RSJHOBKCLHZQTG-RYUDHWBXSA-N 0 3 253.346 0.418 20 30 CCEDHN C#CCN(C)CCCNC(=O)N[C@H]1CCCOC1 ZINC000491464161 390113616 /nfs/dbraw/zinc/11/36/16/390113616.db2.gz QFJQZFRVZYZDBS-LBPRGKRZSA-N 0 3 253.346 0.420 20 30 CCEDHN C#C[C@H](C)N(C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000491631467 390115350 /nfs/dbraw/zinc/11/53/50/390115350.db2.gz OBOFUPTVWNHZJR-NSHDSACASA-N 0 3 282.365 0.666 20 30 CCEDHN C=CCn1cc(CNC(=O)[C@H]2CNCCC2(F)F)nn1 ZINC000644165978 390155300 /nfs/dbraw/zinc/15/53/00/390155300.db2.gz KHFGMKARCKOOSX-SNVBAGLBSA-N 0 3 285.298 0.325 20 30 CCEDHN N#Cc1ccc2ncc(CNC[C@H](O)[C@@H]3CCOC3)n2c1 ZINC000540615753 390221972 /nfs/dbraw/zinc/22/19/72/390221972.db2.gz TWCKVTMJLJRFPO-OCCSQVGLSA-N 0 3 286.335 0.693 20 30 CCEDHN CS(=O)(=O)N1CC(CNCc2ccc(C#N)cc2F)C1 ZINC000495183797 390222585 /nfs/dbraw/zinc/22/25/85/390222585.db2.gz LGMRWADVVNUWNJ-UHFFFAOYSA-N 0 3 297.355 0.678 20 30 CCEDHN CC(C#N)C(=O)N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000495562510 390242507 /nfs/dbraw/zinc/24/25/07/390242507.db2.gz ZCHQEDSNJSPGEO-MNOVXSKESA-N 0 3 297.355 0.898 20 30 CCEDHN C[C@H](C#N)CNC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000541020314 390234588 /nfs/dbraw/zinc/23/45/88/390234588.db2.gz OLLKCUNMJCXCPR-JFGNBEQYSA-N 0 3 250.346 0.928 20 30 CCEDHN C=CCN(C(=O)[C@H](C)NC1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000648014988 390249596 /nfs/dbraw/zinc/24/95/96/390249596.db2.gz NCVMTBTXTMQGDF-CMPLNLGQSA-N 0 3 286.397 0.329 20 30 CCEDHN C=CCn1nnnc1SC[C@@H](O)CN(C)CC ZINC000582072775 390259002 /nfs/dbraw/zinc/25/90/02/390259002.db2.gz IEMDIKWCLANYKQ-VIFPVBQESA-N 0 3 257.363 0.264 20 30 CCEDHN Cc1onc(CC(=O)NC[C@@H]2CCCN2C)c1C#N ZINC000542786528 390270340 /nfs/dbraw/zinc/27/03/40/390270340.db2.gz KREISRSTVWFEGF-JTQLQIEISA-N 0 3 262.313 0.608 20 30 CCEDHN C=CCn1cc(C(=O)N2CCC[C@H]2CN(C)C)nn1 ZINC000648763665 390403548 /nfs/dbraw/zinc/40/35/48/390403548.db2.gz ANWMDJIOAVAGEA-NSHDSACASA-N 0 3 263.345 0.630 20 30 CCEDHN C=CCn1cc(C(=O)N2CC[C@H]3CN(C)C[C@@H]32)nn1 ZINC000648911524 390442194 /nfs/dbraw/zinc/44/21/94/390442194.db2.gz NNTPQWUVTUYFHW-JQWIXIFHSA-N 0 3 261.329 0.240 20 30 CCEDHN CN1C[C@@H]2CCCN(CC(=O)NC3(C#N)CCC3)[C@@H]2C1 ZINC000563022105 390492707 /nfs/dbraw/zinc/49/27/07/390492707.db2.gz HBTVQTCOPPZDNS-QWHCGFSZSA-N 0 3 276.384 0.575 20 30 CCEDHN CN(CCC#N)C[C@H](O)CNCc1ccc(C(N)=O)cc1 ZINC000514931749 390470416 /nfs/dbraw/zinc/47/04/16/390470416.db2.gz ALUIDDUVZDRROG-CQSZACIVSA-N 0 3 290.367 0.081 20 30 CCEDHN C[C@H](CN)N(C)C(=O)C(=O)N1CCC(CCC#N)CC1 ZINC000516467860 390482569 /nfs/dbraw/zinc/48/25/69/390482569.db2.gz KWHIFLHXZWIDEB-LLVKDONJSA-N 0 3 280.372 0.334 20 30 CCEDHN N#CCCC[C@@H](N)C(=O)NCCN1CC=CCC1 ZINC000565597951 390527638 /nfs/dbraw/zinc/52/76/38/390527638.db2.gz WZMZUYMZNKUPTG-GFCCVEGCSA-N 0 3 250.346 0.386 20 30 CCEDHN Cc1ccc(CNC[C@H](O)CN(C)CCC#N)cn1 ZINC000565652206 390532202 /nfs/dbraw/zinc/53/22/02/390532202.db2.gz AQFLOXQPMKGOTO-AWEZNQCLSA-N 0 3 262.357 0.686 20 30 CCEDHN COC(=O)c1ccc(NC[C@@]2(O)CCN(C)C2)c(C#N)n1 ZINC000520253872 390564821 /nfs/dbraw/zinc/56/48/21/390564821.db2.gz BVUXBIHCHNOETO-AWEZNQCLSA-N 0 3 290.323 0.218 20 30 CCEDHN N#Cc1cnn2cc(CNCCN3CCCC3=O)cnc12 ZINC000566743856 390643441 /nfs/dbraw/zinc/64/34/41/390643441.db2.gz YGEJLSFBELKGFP-UHFFFAOYSA-N 0 3 284.323 0.313 20 30 CCEDHN CN1CCN(C(=O)NCC(C)(C)CC#N)[C@@H](CN)C1 ZINC000567572763 390704060 /nfs/dbraw/zinc/70/40/60/390704060.db2.gz ZFPZWNAGNUEAOU-NSHDSACASA-N 0 3 267.377 0.211 20 30 CCEDHN N#CCNC(=O)CNCCC(=O)Nc1cccc(Cl)c1 ZINC000567707044 390710290 /nfs/dbraw/zinc/71/02/90/390710290.db2.gz HWDWGRWRRLENFB-UHFFFAOYSA-N 0 3 294.742 0.898 20 30 CCEDHN N#CCNC(=O)CNC[C@H](O)CCc1ccccc1 ZINC000567706974 390710487 /nfs/dbraw/zinc/71/04/87/390710487.db2.gz FRXNVTUAISCMFD-CYBMUJFWSA-N 0 3 261.325 0.209 20 30 CCEDHN C=CCn1cc(CNC(=O)N2CCN(C)CC[C@H]2C)nn1 ZINC000567743279 390711191 /nfs/dbraw/zinc/71/11/91/390711191.db2.gz LWKJSFAUUIOYAE-GFCCVEGCSA-N 0 3 292.387 0.700 20 30 CCEDHN N#CCc1ccc(CNC(=O)CCOC2CNC2)cc1 ZINC000568986650 390715548 /nfs/dbraw/zinc/71/55/48/390715548.db2.gz BGSZXSYILXCOES-UHFFFAOYSA-N 0 3 273.336 0.747 20 30 CCEDHN CN(C)CCOc1cc(CNc2ncncc2C#N)ccn1 ZINC000567466353 390699445 /nfs/dbraw/zinc/69/94/45/390699445.db2.gz AARJIKAXZVTADE-UHFFFAOYSA-N 0 3 298.350 0.718 20 30 CCEDHN N#Cc1cccc(OCCN2C[C@@H](CO)[C@H](CO)C2)c1 ZINC000528606274 390761028 /nfs/dbraw/zinc/76/10/28/390761028.db2.gz MDKXQMRGKLQBKV-KBPBESRZSA-N 0 3 276.336 0.470 20 30 CCEDHN O=C(CCNCC#CCO)Nc1ccccc1F ZINC000647525913 390832121 /nfs/dbraw/zinc/83/21/21/390832121.db2.gz CMGQXJSUSCNQPH-UHFFFAOYSA-N 0 3 250.273 0.740 20 30 CCEDHN N#Cc1nccc(N2CCC(CN3CCOCC3)CC2)n1 ZINC000577804048 390845978 /nfs/dbraw/zinc/84/59/78/390845978.db2.gz QWHDFOIFCVIOAX-UHFFFAOYSA-N 0 3 287.367 0.897 20 30 CCEDHN C=CC[C@H]1CCCN(C(=O)C(=O)N(C)CCN(C)C)C1 ZINC000658448978 413149010 /nfs/dbraw/zinc/14/90/10/413149010.db2.gz FIFWBFSSGVYXCM-ZDUSSCGKSA-N 0 3 281.400 0.821 20 30 CCEDHN C=CCOCCN1C[C@H](CO)[C@@H](c2cnn(C)c2)C1 ZINC000339129786 397455566 /nfs/dbraw/zinc/45/55/66/397455566.db2.gz YPSHQZDCPZTVDO-ZIAGYGMSSA-N 0 3 265.357 0.630 20 30 CCEDHN C=CCOCCCNC(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000658529756 413163769 /nfs/dbraw/zinc/16/37/69/413163769.db2.gz LYGSKHLKIRVRKL-CYBMUJFWSA-N 0 3 297.399 0.248 20 30 CCEDHN CN1CCC(CCO)(NC(=O)c2ccnc(C#N)c2)CC1 ZINC000356627665 144020343 /nfs/dbraw/zinc/02/03/43/144020343.db2.gz IMVLELSDLRPKJR-UHFFFAOYSA-N 0 3 288.351 0.530 20 30 CCEDHN C=C(C)C[C@@H](C)C(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000650307321 397711579 /nfs/dbraw/zinc/71/15/79/397711579.db2.gz UXCXAMOAJAATIZ-CYBMUJFWSA-N 0 3 281.400 0.821 20 30 CCEDHN C=C[C@@](C)(O)CC(=O)N[C@H]1CCCN(CCOC)C1 ZINC000685716313 545850580 /nfs/dbraw/zinc/85/05/80/545850580.db2.gz LZLNQSWFJZKGRD-GXTWGEPZSA-N 0 3 270.373 0.541 20 30 CCEDHN Cc1cc(C#N)cnc1C(=O)NC[C@](C)(O)CN(C)C ZINC000551904084 286134610 /nfs/dbraw/zinc/13/46/10/286134610.db2.gz LPZMMXWMSCPJSR-AWEZNQCLSA-N 0 3 276.340 0.304 20 30 CCEDHN C=CCNC(=S)N[C@H](C)CCN1CCN(C)CC1 ZINC000769760107 581704898 /nfs/dbraw/zinc/70/48/98/581704898.db2.gz JYPYFSAQRREGGU-GFCCVEGCSA-N 0 3 270.446 0.663 20 30 CCEDHN C=C(C)[C@@H](CO)N1CCC[C@@H](N2CCOCC2)C1 ZINC000653718869 412339039 /nfs/dbraw/zinc/33/90/39/412339039.db2.gz CLMBVGNIFJGLDJ-ZIAGYGMSSA-N 0 3 254.374 0.720 20 30 CCEDHN C=CCOCCCNC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000659598079 413681487 /nfs/dbraw/zinc/68/14/87/413681487.db2.gz WZACTFDFVNRXJN-VXGBXAGGSA-N 0 3 255.362 0.971 20 30 CCEDHN C=CC[C@@H]1CCCN(C(=O)C(=O)N[C@@H](CN)C2CC2)C1 ZINC000659716569 413809476 /nfs/dbraw/zinc/80/94/76/413809476.db2.gz ATZWOAJQRHYDNY-YPMHNXCESA-N 0 3 279.384 0.655 20 30 CCEDHN COCC#CCN1CCC[C@@H](N2CCOCC2)CC1 ZINC000660481020 414349974 /nfs/dbraw/zinc/34/99/74/414349974.db2.gz XNXLOATUPVSMQV-OAHLLOKOSA-N 0 3 266.385 0.823 20 30 CCEDHN C=CCCNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000660853438 414509001 /nfs/dbraw/zinc/50/90/01/414509001.db2.gz YDANLLQTCWWBIL-ZDUSSCGKSA-N 0 3 296.415 0.804 20 30 CCEDHN C=CCN1CC[C@@H](N2CC[C@@H](Cn3ccnn3)C2)C1=O ZINC000661140918 414564103 /nfs/dbraw/zinc/56/41/03/414564103.db2.gz PUBGMYPNNITFEY-CHWSQXEVSA-N 0 3 275.356 0.387 20 30 CCEDHN C=CCCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000661570707 414645234 /nfs/dbraw/zinc/64/52/34/414645234.db2.gz KCBFNACTQZVRQI-UHFFFAOYSA-N 0 3 294.399 0.512 20 30 CCEDHN C=C1C[C@H]2CC[C@@H](C1)N2[C@H]1CS(=O)(=O)C[C@H]1OC ZINC000662089214 414690562 /nfs/dbraw/zinc/69/05/62/414690562.db2.gz UOBNVVUQGCNTCJ-QNWHQSFQSA-N 0 3 271.382 0.981 20 30 CCEDHN C=CCn1cc(CNC(=O)C2(NC3CC3)CCC2)nn1 ZINC000662818214 414816390 /nfs/dbraw/zinc/81/63/90/414816390.db2.gz RSIQJBRYUROEOK-UHFFFAOYSA-N 0 3 275.356 0.755 20 30 CCEDHN CC(C#N)C(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000347065550 226012466 /nfs/dbraw/zinc/01/24/66/226012466.db2.gz JKEUKGKPDWWXFB-LLVKDONJSA-N 0 3 259.309 0.921 20 30 CCEDHN CC(C#N)C(=O)NCc1cccc(OCC(=O)N(C)C)c1 ZINC000347063829 226009657 /nfs/dbraw/zinc/00/96/57/226009657.db2.gz HSLUOSZJKNXKNZ-NSHDSACASA-N 0 3 289.335 0.929 20 30 CCEDHN N#C[C@@H]1CN(C(=O)N[C@H]2CCN(C3CC3)C2)CCO1 ZINC000329272528 227398806 /nfs/dbraw/zinc/39/88/06/227398806.db2.gz AEUWUTUTDBHIGW-CMPLNLGQSA-N 0 3 264.329 0.361 20 30 CCEDHN CCn1cnnc1CNC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000330183858 228058795 /nfs/dbraw/zinc/05/87/95/228058795.db2.gz QGWPXZVYKRKUDC-CQSZACIVSA-N 0 3 292.387 0.740 20 30 CCEDHN CC(C#N)C(=O)N[C@H](C(=O)N=c1cc[nH][nH]1)c1ccccc1 ZINC000353778126 228153000 /nfs/dbraw/zinc/15/30/00/228153000.db2.gz FTWNSALZNKPYCM-MFKMUULPSA-N 0 3 297.318 0.787 20 30 CCEDHN N#C[C@H]1CN(C(=O)NC[C@H]2CCCCN2C2CC2)CCO1 ZINC000333065602 228189377 /nfs/dbraw/zinc/18/93/77/228189377.db2.gz TYGGXJXELSTJJK-KGLIPLIRSA-N 0 3 292.383 0.937 20 30 CCEDHN O=C(NC1CCN(C2CC2)CC1)N1CC[C@H](CO)C1 ZINC000329515967 545023283 /nfs/dbraw/zinc/02/32/83/545023283.db2.gz MMFDXCQUMDLFLS-NSHDSACASA-N 0 3 267.373 0.841 20 30 CCEDHN C[C@@H]1C[C@H](NC(=O)CCN2C(=O)CCC2=O)CCN1C ZINC000329644981 545024129 /nfs/dbraw/zinc/02/41/29/545024129.db2.gz DISBAUSMHRPGGT-GHMZBOCLSA-N 0 3 281.356 0.965 20 30 CCEDHN C=CCCN(C)C(=O)C(=O)N[C@H](C)CN(CC)CC ZINC000343002993 545057795 /nfs/dbraw/zinc/05/77/95/545057795.db2.gz BXBKBBCLAICCFC-GFCCVEGCSA-N 0 3 269.389 0.867 20 30 CCEDHN CN(C)CCN(C)C(=O)Nc1nn(C)cc1C#N ZINC000610561899 420494651 /nfs/dbraw/zinc/49/46/51/420494651.db2.gz SMSASGMENLLZFL-UHFFFAOYSA-N 0 3 250.306 0.317 20 30 CCEDHN C#CCN1CCN(C(=O)CN[C@@H](CC)[C@H]2CCCO2)CC1 ZINC000490934608 261253859 /nfs/dbraw/zinc/25/38/59/261253859.db2.gz JQOXPHXOGFJTGY-LSDHHAIUSA-N 0 3 293.411 0.311 20 30 CCEDHN C#CCN(C)CCCNC(=O)N1C[C@@H](C)C[C@H](CO)C1 ZINC000491789620 262054335 /nfs/dbraw/zinc/05/43/35/262054335.db2.gz ZXXRUBFZTGXBAH-KBPBESRZSA-N 0 3 281.400 0.601 20 30 CCEDHN CC(C)OCCOC[C@H](O)CN(C)C(=O)C(C)C#N ZINC000354673686 262282691 /nfs/dbraw/zinc/28/26/91/262282691.db2.gz NKQPCIOLDNNWJK-VXGBXAGGSA-N 0 3 272.345 0.407 20 30 CCEDHN C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000521432064 262333282 /nfs/dbraw/zinc/33/32/82/262333282.db2.gz JSJZBJOEAMCSNA-UTUOFQBUSA-N 0 3 281.356 0.498 20 30 CCEDHN CC[C@@H](CO)N1CCN(CCOCCC#N)CC1 ZINC000339008224 262581548 /nfs/dbraw/zinc/58/15/48/262581548.db2.gz VCFAKEBRNXANPU-ZDUSSCGKSA-N 0 3 255.362 0.305 20 30 CCEDHN COCCN1CCC(NC(=O)N(C)C[C@H](C)C#N)CC1 ZINC000339933039 262695491 /nfs/dbraw/zinc/69/54/91/262695491.db2.gz QJLFDNXAHYKCKO-GFCCVEGCSA-N 0 3 282.388 0.898 20 30 CCEDHN CC(C#N)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C ZINC000339939966 262696126 /nfs/dbraw/zinc/69/61/26/262696126.db2.gz YZINCKBDQPUBIX-WCQYABFASA-N 0 3 273.336 0.962 20 30 CCEDHN CC1(C#N)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000272583958 263007121 /nfs/dbraw/zinc/00/71/21/263007121.db2.gz OMNDPGWOFKJPGY-GFCCVEGCSA-N 0 3 293.327 0.778 20 30 CCEDHN N#Cc1ccc(CC(C#N)C(=O)NCCCO)cc1 ZINC000280768599 263064299 /nfs/dbraw/zinc/06/42/99/263064299.db2.gz JJBJUCNIGUKZRQ-ZDUSSCGKSA-N 0 3 257.293 0.739 20 30 CCEDHN C=C[C@](C)(O)CC(=O)NC[C@H]1CCCCN1CCO ZINC000452377766 263084801 /nfs/dbraw/zinc/08/48/01/263084801.db2.gz NNMWCTVDZFTBLX-OCCSQVGLSA-N 0 3 270.373 0.277 20 30 CCEDHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCCCCC#N ZINC000340266002 263103219 /nfs/dbraw/zinc/10/32/19/263103219.db2.gz YBPRORTZBUTSCD-ZDUSSCGKSA-N 0 3 294.399 0.787 20 30 CCEDHN C=C[C@H](CO)NC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000290543254 263117394 /nfs/dbraw/zinc/11/73/94/263117394.db2.gz ISKNKEXGYNDIQA-ZIAGYGMSSA-N 0 3 269.304 0.904 20 30 CCEDHN C=C(C)CN(C)C(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000340423422 263139484 /nfs/dbraw/zinc/13/94/84/263139484.db2.gz NJDMNTGPGMTBGQ-CQSZACIVSA-N 0 3 299.440 0.574 20 30 CCEDHN C=CC[C@H](CO)CNC(=O)NCCN(C)C1CC1 ZINC000341816108 263352481 /nfs/dbraw/zinc/35/24/81/263352481.db2.gz ASDZBDYVHCMVBP-NSHDSACASA-N 0 3 255.362 0.564 20 30 CCEDHN N#CCNC(=O)CN[C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000341864955 263356519 /nfs/dbraw/zinc/35/65/19/263356519.db2.gz AUHQZUWWUCDYAM-UKRRQHHQSA-N 0 3 273.336 0.994 20 30 CCEDHN N#CCNC(=O)CN[C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000341864956 263356563 /nfs/dbraw/zinc/35/65/63/263356563.db2.gz AUHQZUWWUCDYAM-ZFWWWQNUSA-N 0 3 273.336 0.994 20 30 CCEDHN C[C@H](CO)N(C)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000330775152 264034588 /nfs/dbraw/zinc/03/45/88/264034588.db2.gz RUHARXQRAADFER-MNOVXSKESA-N 0 3 255.362 0.863 20 30 CCEDHN COCCN1CC[C@@H](NC(=O)N[C@@H]2CC[C@H](C#N)C2)C1 ZINC000425455157 264329068 /nfs/dbraw/zinc/32/90/68/264329068.db2.gz UBNNJONGLLPZSU-YNEHKIRRSA-N 0 3 280.372 0.699 20 30 CCEDHN C=CC(=O)NCCNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280999032 265573227 /nfs/dbraw/zinc/57/32/27/265573227.db2.gz UDTGTDMEUKRDOH-AWEZNQCLSA-N 0 3 296.330 0.659 20 30 CCEDHN C=CCN(CC=C)C(=O)CN1C[C@H](CO)[C@H](C)C1 ZINC000362068156 266925089 /nfs/dbraw/zinc/92/50/89/266925089.db2.gz BPDLZASDHIBLHK-CHWSQXEVSA-N 0 3 252.358 0.747 20 30 CCEDHN COC[C@@](C)(C#N)NC(=O)CC1CCN(C)CC1 ZINC000362883979 267057721 /nfs/dbraw/zinc/05/77/21/267057721.db2.gz VLZOTDNHZNCSTR-CYBMUJFWSA-N 0 3 253.346 0.763 20 30 CCEDHN CC[C@@H](N)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000519775972 267187985 /nfs/dbraw/zinc/18/79/85/267187985.db2.gz XXDYTLIURGWCDM-GFCCVEGCSA-N 0 3 273.340 0.339 20 30 CCEDHN C=CCN1CC[C@@H](N2CC[C@H](N3CCCC3)C2)C1=O ZINC000369201856 267225057 /nfs/dbraw/zinc/22/50/57/267225057.db2.gz CNWZQOCXXFPGAO-UONOGXRCSA-N 0 3 263.385 0.943 20 30 CCEDHN C#CCNC(=O)C1CCN([C@H]2CCCCNC2=O)CC1 ZINC000371184342 267361091 /nfs/dbraw/zinc/36/10/91/267361091.db2.gz NEZZNCBLCFETLS-ZDUSSCGKSA-N 0 3 277.368 0.117 20 30 CCEDHN CC#CCNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000371260197 267379593 /nfs/dbraw/zinc/37/95/93/267379593.db2.gz YRYPTSJKVRTMDJ-RYUDHWBXSA-N 0 3 251.330 0.172 20 30 CCEDHN CN(CCC#N)C(=O)CCN1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000376652239 268006842 /nfs/dbraw/zinc/00/68/42/268006842.db2.gz POETUOPMBSZWRT-OUCADQQQSA-N 0 3 292.383 0.334 20 30 CCEDHN CC(C)NS(=O)(=O)CCN[C@H]1CCC[C@H](C#N)C1 ZINC000192977670 277663939 /nfs/dbraw/zinc/66/39/39/277663939.db2.gz CDMHZKHCMXRCRZ-RYUDHWBXSA-N 0 3 273.402 0.986 20 30 CCEDHN CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)C(C)C#N ZINC000334913768 279341219 /nfs/dbraw/zinc/34/12/19/279341219.db2.gz LVYYCTYVQMOLIF-ZJUUUORDSA-N 0 3 269.370 0.914 20 30 CCEDHN Cc1cc(C#N)nc(N2CCO[C@H]3CCN(C)C[C@H]32)n1 ZINC000329011592 280318217 /nfs/dbraw/zinc/31/82/17/280318217.db2.gz ZYXOEGQCLCKHMR-OLZOCXBDSA-N 0 3 273.340 0.566 20 30 CCEDHN CCc1cccc(OC[C@H](O)CNCC(=O)NCC#N)c1 ZINC000563011096 327755068 /nfs/dbraw/zinc/75/50/68/327755068.db2.gz MAMMKQBRPALLMI-CYBMUJFWSA-N 0 3 291.351 0.218 20 30 CCEDHN N#CCCC[C@@H](N)C(=O)NCCNc1ccccn1 ZINC000563065287 327866355 /nfs/dbraw/zinc/86/63/55/327866355.db2.gz AHVINEIVXQBPTJ-LLVKDONJSA-N 0 3 261.329 0.631 20 30 CCEDHN C=CCN1CC[C@H](N2CCO[C@@H]3CCN(CC)C[C@@H]32)C1=O ZINC000339392970 328009241 /nfs/dbraw/zinc/00/92/41/328009241.db2.gz OFEFXUDIIWTLRZ-SOUVJXGZSA-N 0 3 293.411 0.568 20 30 CCEDHN C=CCNC(=O)NC(=O)CN[C@H](C1CC1)C(C)(C)CO ZINC000339726924 328013320 /nfs/dbraw/zinc/01/33/20/328013320.db2.gz ZDCOOUJVTHDWFL-GFCCVEGCSA-N 0 3 283.372 0.385 20 30 CCEDHN C=CC(C)(C)CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000563452063 328066646 /nfs/dbraw/zinc/06/66/46/328066646.db2.gz RATJOBFKWCQGTA-GHMZBOCLSA-N 0 3 280.372 0.152 20 30 CCEDHN CN(CCC#N)C(=O)CCN1CCC[C@H](OCCO)C1 ZINC000181571387 329234616 /nfs/dbraw/zinc/23/46/16/329234616.db2.gz BTDOJTBTTAVZDV-ZDUSSCGKSA-N 0 3 283.372 0.222 20 30 CCEDHN C=CCNC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000415974385 328432018 /nfs/dbraw/zinc/43/20/18/328432018.db2.gz KYXFOJRZDOGAPF-UHFFFAOYSA-N 0 3 262.317 0.194 20 30 CCEDHN C=CCN1CCC(NC(=O)[C@@H](C)n2cncn2)CC1 ZINC000330588265 328463709 /nfs/dbraw/zinc/46/37/09/328463709.db2.gz ONZKEPLASRGGKQ-LLVKDONJSA-N 0 3 263.345 0.606 20 30 CCEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000565760549 327006008 /nfs/dbraw/zinc/00/60/08/327006008.db2.gz QVFLRNJPNTYTES-MBNYWOFBSA-N 0 3 283.372 0.086 20 30 CCEDHN CN1C(=O)C[C@H](NC(=O)C(C#N)CCc2ccccc2)C1=O ZINC000584182247 327061744 /nfs/dbraw/zinc/06/17/44/327061744.db2.gz VHXIREXAMCCPNJ-OLZOCXBDSA-N 0 3 299.330 0.632 20 30 CCEDHN C=C(C)CS(=O)(=O)N(CCN(C)C)CCN(C)C ZINC000569548842 327196538 /nfs/dbraw/zinc/19/65/38/327196538.db2.gz PPRMTYSQEXYBCC-UHFFFAOYSA-N 0 3 277.434 0.318 20 30 CCEDHN C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H]1CCCN(C)C1 ZINC000560403611 327304845 /nfs/dbraw/zinc/30/48/45/327304845.db2.gz ICWSMEIQOIYWQX-XQQFMLRXSA-N 0 3 267.373 0.971 20 30 CCEDHN C=CCN(CC=C)C(=O)[C@@H](C)N1CC[C@H](CC(N)=O)C1 ZINC000377605606 329020144 /nfs/dbraw/zinc/02/01/44/329020144.db2.gz UNRKRPKAHUFXIF-CHWSQXEVSA-N 0 3 279.384 0.773 20 30 CCEDHN COCCN(C)CCNC(=O)NCCCCC#N ZINC000171439295 329075985 /nfs/dbraw/zinc/07/59/85/329075985.db2.gz UOBISWHUAWYEDA-UHFFFAOYSA-N 0 3 256.350 0.558 20 30 CCEDHN C=CCNC(=O)CNC(=O)[C@H]1CNCc2ccccc21 ZINC000393740915 329089203 /nfs/dbraw/zinc/08/92/03/329089203.db2.gz BQXZZTKZWIURCC-ZDUSSCGKSA-N 0 3 273.336 0.292 20 30 CCEDHN CCN(CC)CCN(CC(=O)NCC#N)CC(C)C ZINC000176530495 329176728 /nfs/dbraw/zinc/17/67/28/329176728.db2.gz FYHXJAAJTFXZIL-UHFFFAOYSA-N 0 3 268.405 0.926 20 30 CCEDHN CN(CCN(C)C1CC1)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000186773258 329349662 /nfs/dbraw/zinc/34/96/62/329349662.db2.gz RNFOWCZBSMJOKP-HNNXBMFYSA-N 0 3 278.400 0.821 20 30 CCEDHN C=CCCC[C@@H](C)NC(=O)C(=O)N1CCC[C@@H]1CN ZINC000419132503 329709195 /nfs/dbraw/zinc/70/91/95/329709195.db2.gz DXNCRRMFWBQTKC-VXGBXAGGSA-N 0 3 267.373 0.797 20 30 CCEDHN C=CC[C@H]1N(C(=O)C(=O)NCCN)CCCC1(C)C ZINC000419833390 329746276 /nfs/dbraw/zinc/74/62/76/329746276.db2.gz LGXGMMIUANUSMC-LLVKDONJSA-N 0 3 267.373 0.655 20 30 CCEDHN COC(=O)CC1(NC(=O)[C@H](N)CCCC#N)CC1 ZINC000572373733 330018716 /nfs/dbraw/zinc/01/87/16/330018716.db2.gz PJJGYOJKNREOPT-SECBINFHSA-N 0 3 253.302 0.219 20 30 CCEDHN CCN1CCC[C@@H]1CNC(=O)C(=O)NCC(C)(C)CC#N ZINC000422479147 330147888 /nfs/dbraw/zinc/14/78/88/330147888.db2.gz JLNWMXYIZUSJKN-GFCCVEGCSA-N 0 3 294.399 0.643 20 30 CCEDHN Cn1nnnc1-c1cccc(NC(=O)[C@@H](N)CCCC#N)c1 ZINC000424068750 330219780 /nfs/dbraw/zinc/21/97/80/330219780.db2.gz NWKOCHOWLWEZDF-LBPRGKRZSA-N 0 3 299.338 0.837 20 30 CCEDHN CC(C)C(=O)N1CCN(C(=O)[C@H](N)CCCC#N)CC1 ZINC000424070053 330219848 /nfs/dbraw/zinc/21/98/48/330219848.db2.gz WXSQVGACDMRMCD-GFCCVEGCSA-N 0 3 280.372 0.334 20 30 CCEDHN N#CCCC[C@@H](N)C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000424085757 330223259 /nfs/dbraw/zinc/22/32/59/330223259.db2.gz ZNMCRQYOUSTBJJ-VXGBXAGGSA-N 0 3 289.335 0.964 20 30 CCEDHN N#CCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000424101929 330233458 /nfs/dbraw/zinc/23/34/58/330233458.db2.gz ABUYEYVXRPGQFG-STQMWFEESA-N 0 3 288.351 0.220 20 30 CCEDHN N#CCCC[C@H](N)C(=O)NCCN1CCCCC1 ZINC000424130522 330261449 /nfs/dbraw/zinc/26/14/49/330261449.db2.gz FMCVJMBNKZHPPF-LBPRGKRZSA-N 0 3 252.362 0.610 20 30 CCEDHN Cc1nccn1C[C@@H](C)CNC(=O)[C@@H](N)CCCC#N ZINC000424133337 330265833 /nfs/dbraw/zinc/26/58/33/330265833.db2.gz LZJVQXFTPHGMLZ-AAEUAGOBSA-N 0 3 277.372 0.965 20 30 CCEDHN COc1ncc(NC(=O)[C@H](N)CCCC#N)cc1C(N)=O ZINC000424138606 330276460 /nfs/dbraw/zinc/27/64/60/330276460.db2.gz CROGNJAINQVZGH-SNVBAGLBSA-N 0 3 291.311 0.149 20 30 CCEDHN CC(C)CN1CCO[C@@H](CNC(=O)[C@@H](N)CCCC#N)C1 ZINC000424143031 330286664 /nfs/dbraw/zinc/28/66/64/330286664.db2.gz VUKNOKNGRVHHNZ-KBPBESRZSA-N 0 3 296.415 0.481 20 30 CCEDHN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@H](N)CCCC#N ZINC000424177776 330317764 /nfs/dbraw/zinc/31/77/64/330317764.db2.gz VELAPGGQQKYEHR-LPWJVIDDSA-N 0 3 293.367 0.808 20 30 CCEDHN C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)[C@@H]1CN ZINC000424544372 330372766 /nfs/dbraw/zinc/37/27/66/330372766.db2.gz KMZHRWRBAGXLDW-WUHRBBMRSA-N 0 3 292.383 0.381 20 30 CCEDHN C=CCN(C)C(=O)NCC(=O)NCCN1CCCCCC1 ZINC000432433701 330599239 /nfs/dbraw/zinc/59/92/39/330599239.db2.gz 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C#CCNC(=O)CCN1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000491745637 332323592 /nfs/dbraw/zinc/32/35/92/332323592.db2.gz UBTJQKIKDVKTQD-YPMHNXCESA-N 0 3 250.342 0.625 20 30 CCEDHN C#CCN(C)CCCNC(=O)Nc1cnn(CCOC)c1 ZINC000491747319 332324481 /nfs/dbraw/zinc/32/44/81/332324481.db2.gz NCLKEOULACXJTJ-UHFFFAOYSA-N 0 3 293.371 0.606 20 30 CCEDHN C#CCN(C)CCCNC(=O)[C@@H](NC(=O)OC)[C@@H](C)CC ZINC000491750388 332327016 /nfs/dbraw/zinc/32/70/16/332327016.db2.gz VCOLNAQYGHZEON-STQMWFEESA-N 0 3 297.399 0.828 20 30 CCEDHN C#CCNC(=O)CCNCc1ccc(OCC#N)cc1 ZINC000491751740 332327976 /nfs/dbraw/zinc/32/79/76/332327976.db2.gz XGLRRJUXFRBFSQ-UHFFFAOYSA-N 0 3 271.320 0.818 20 30 CCEDHN C#CCN(C)CCCNC(=O)NC[C@@H](O)[C@H](C)CC ZINC000491771125 332337594 /nfs/dbraw/zinc/33/75/94/332337594.db2.gz QBBYJXHEXYQQSE-CHWSQXEVSA-N 0 3 269.389 0.648 20 30 CCEDHN C#CCN(C)CCCNS(=O)(=O)N(C)[C@@H](C)C1CC1 ZINC000491775936 332341685 /nfs/dbraw/zinc/34/16/85/332341685.db2.gz DPCFCCIQMVZBKE-LBPRGKRZSA-N 0 3 287.429 0.506 20 30 CCEDHN C#C[C@H](CO)NC[C@@H](O)Cc1cccc(Cl)c1 ZINC000491778683 332343876 /nfs/dbraw/zinc/34/38/76/332343876.db2.gz YYWWMLBTSRFTBG-OLZOCXBDSA-N 0 3 253.729 0.827 20 30 CCEDHN C#CCNC(=O)[C@@H](C)N1CCN([C@H](C)CC)CC1 ZINC000491787242 332349562 /nfs/dbraw/zinc/34/95/62/332349562.db2.gz VZPXHDFIHSFPHQ-CHWSQXEVSA-N 0 3 251.374 0.540 20 30 CCEDHN C#CCN(C)CCCNC(=O)N1CC[C@H](C)[C@H]1CO ZINC000491788984 332351260 /nfs/dbraw/zinc/35/12/60/332351260.db2.gz YBEONQZOBWIRIM-QWHCGFSZSA-N 0 3 267.373 0.354 20 30 CCEDHN C#CCN(C)CCCNC(=O)N[C@H]1CCC[C@@H]1CCO ZINC000491820500 332370230 /nfs/dbraw/zinc/37/02/30/332370230.db2.gz XUGQXRSRBFMKCS-KGLIPLIRSA-N 0 3 281.400 0.792 20 30 CCEDHN C#CCNC(=O)C1CCN(C[C@@H](O)CC(F)(F)F)CC1 ZINC000491821013 332370418 /nfs/dbraw/zinc/37/04/18/332370418.db2.gz ULOZTEZVNPKKME-NSHDSACASA-N 0 3 292.301 0.761 20 30 CCEDHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CCC[C@@]1(C)CO ZINC000493705978 332450598 /nfs/dbraw/zinc/45/05/98/332450598.db2.gz KLJCKJYIIFUFLR-WDMOLILDSA-N 0 3 283.372 0.527 20 30 CCEDHN C[C@H](C#N)CNC(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000091282249 334375290 /nfs/dbraw/zinc/37/52/90/334375290.db2.gz GDGGTJNADWROND-LLVKDONJSA-N 0 3 288.351 0.963 20 30 CCEDHN C#CCN1CCC(C(=O)NC[C@@H](C)C[C@H](C)O)CC1 ZINC000304253996 332968544 /nfs/dbraw/zinc/96/85/44/332968544.db2.gz BFQFNSBXCDZIGE-STQMWFEESA-N 0 3 266.385 0.855 20 30 CCEDHN CN(C)C[C@@](C)(O)CNC(=O)NCCCCC#N ZINC000179028849 333078984 /nfs/dbraw/zinc/07/89/84/333078984.db2.gz FTWJAECRDCXGFQ-LBPRGKRZSA-N 0 3 256.350 0.292 20 30 CCEDHN CC[C@H](NC[C@@H](O)CN(C)CCC#N)[C@@H](O)C(F)(F)F ZINC000517030680 333090331 /nfs/dbraw/zinc/09/03/31/333090331.db2.gz SJLVZWCQAVXMPN-OUAUKWLOSA-N 0 3 297.321 0.484 20 30 CCEDHN C#CCN1CCC(C(=O)N[C@H]2CCCC[C@@H]2O)CC1 ZINC000187416260 333170533 /nfs/dbraw/zinc/17/05/33/333170533.db2.gz VDYYBTQHIVEDOZ-KBPBESRZSA-N 0 3 264.369 0.751 20 30 CCEDHN C=CCc1ccccc1OC[C@H](O)CNC[C@](C)(O)CO ZINC000572524156 333185142 /nfs/dbraw/zinc/18/51/42/333185142.db2.gz VRIHWXSBSPFNTF-ZBFHGGJFSA-N 0 3 295.379 0.488 20 30 CCEDHN Cc1n[nH]c(C(=O)NC2(C#N)CCN(C)CC2)c1C ZINC000522389201 333285710 /nfs/dbraw/zinc/28/57/10/333285710.db2.gz XLFFWOGYDFUMQW-UHFFFAOYSA-N 0 3 261.329 0.744 20 30 CCEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N(C)[C@@H]1CCC[C@H]1O ZINC000552005536 334273061 /nfs/dbraw/zinc/27/30/61/334273061.db2.gz MGPXMDYWZOBFEW-QJPTWQEYSA-N 0 3 265.357 0.783 20 30 CCEDHN N#CCNC(=O)CN1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246829884 334270245 /nfs/dbraw/zinc/27/02/45/334270245.db2.gz OCLZFYJRQRSWSS-GXTWGEPZSA-N 0 3 276.384 0.575 20 30 CCEDHN C[C@@H]1CCN(CCC(=O)N(C)CCC#N)[C@@H](C(N)=O)C1 ZINC000249566744 334336868 /nfs/dbraw/zinc/33/68/68/334336868.db2.gz NEJKLRXELCTLHQ-VXGBXAGGSA-N 0 3 280.372 0.334 20 30 CCEDHN CNC(=O)[C@@H]1CCC[C@@H]1N[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000564672980 334516135 /nfs/dbraw/zinc/51/61/35/334516135.db2.gz GEIVEMNFVWNNOQ-TUAOUCFPSA-N 0 3 292.383 0.442 20 30 CCEDHN COC(=O)[C@](C)(O)CN1CCC(CCC#N)CC1 ZINC000567498193 334725857 /nfs/dbraw/zinc/72/58/57/334725857.db2.gz 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/nfs/dbraw/zinc/08/48/06/336084806.db2.gz KFOQOXVTQRSDRU-UHFFFAOYSA-N 0 3 280.353 0.246 20 30 CCEDHN N#Cc1ncccc1S(=O)(=O)[N-][C@H]1CCC[C@@H]([NH3+])C1 ZINC000382411135 336087921 /nfs/dbraw/zinc/08/79/21/336087921.db2.gz DTBUBQPVGCEUFC-ZJUUUORDSA-N 0 3 280.353 0.501 20 30 CCEDHN C[C@@H](CNC(=O)NCC(=O)NCC#N)N1CCC[C@H](C)C1 ZINC000344895177 533942948 /nfs/dbraw/zinc/94/29/48/533942948.db2.gz PRPUHZZNMLYLBJ-RYUDHWBXSA-N 0 3 295.387 0.046 20 30 CCEDHN C[C@H](N[C@H]1CCO[C@@H]1C1CC1)C(=O)N(C)CCC#N ZINC000331791680 534008074 /nfs/dbraw/zinc/00/80/74/534008074.db2.gz SNNWFOFLWLCZPV-WCFLWFBJSA-N 0 3 265.357 0.904 20 30 CCEDHN CN(C)C[C@](C)(O)CNC(=O)c1cscc1C#N ZINC000343551463 535973504 /nfs/dbraw/zinc/97/35/04/535973504.db2.gz JQRPLOBUTDBKCR-GFCCVEGCSA-N 0 3 267.354 0.662 20 30 CCEDHN C=CCOc1ccccc1CNC(=O)C(=O)N[C@@H](C)CN ZINC000418931652 517337603 /nfs/dbraw/zinc/33/76/03/517337603.db2.gz DVKDYPAFQJZHIA-NSHDSACASA-N 0 3 291.351 0.331 20 30 CCEDHN CCN(CCO)CCNC(=O)c1ccc(C#N)c(C)n1 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624542731 /nfs/dbraw/zinc/54/27/31/624542731.db2.gz QTTVPTQOTGKNBS-SRVKXCTJSA-N 0 3 250.346 0.231 20 30 CCEDHN C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](NCC#N)C1 ZINC001020585316 624542953 /nfs/dbraw/zinc/54/29/53/624542953.db2.gz QTTVPTQOTGKNBS-IJLUTSLNSA-N 0 3 250.346 0.231 20 30 CCEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)Cc2cncn2C)C1 ZINC001020930280 624626931 /nfs/dbraw/zinc/62/69/31/624626931.db2.gz MYFJLTLITBIFDP-XYPYZODXSA-N 0 3 282.775 0.952 20 30 CCEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@H]2CCCN2C(C)=O)C1 ZINC001021103151 624659805 /nfs/dbraw/zinc/65/98/05/624659805.db2.gz QTKNQPXXBXOOBD-JHJVBQTASA-N 0 3 299.802 0.987 20 30 CCEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2cn[nH]c2)C1 ZINC001021531614 624761179 /nfs/dbraw/zinc/76/11/79/624761179.db2.gz CFZMLEQAVAMAPO-OCCSQVGLSA-N 0 3 272.352 0.969 20 30 CCEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H](C)n2cncn2)C1 ZINC001021983716 624858860 /nfs/dbraw/zinc/85/88/60/624858860.db2.gz CYMSUWXNTXZMHA-GARJFASQSA-N 0 3 283.763 0.828 20 30 CCEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)CN2CCCCC2=O)C1 ZINC001022356310 624934571 /nfs/dbraw/zinc/93/45/71/624934571.db2.gz JJKPISTXMFNPKK-TXEJJXNPSA-N 0 3 299.802 0.988 20 30 CCEDHN N#CC[C@@H](O)CNC1(C(=O)N2CCOCC2)CCCCC1 ZINC000934053200 625006165 /nfs/dbraw/zinc/00/61/65/625006165.db2.gz BYXJZIWARMXUEJ-CYBMUJFWSA-N 0 3 295.383 0.412 20 30 CCEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001022587139 625052130 /nfs/dbraw/zinc/05/21/30/625052130.db2.gz PWRPOIUURIZJIH-OUAUKWLOSA-N 0 3 285.775 0.597 20 30 CCEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2nccnc2N)C1 ZINC001027339049 625840290 /nfs/dbraw/zinc/84/02/90/625840290.db2.gz ANCFZLJUOBHYSY-LLVKDONJSA-N 0 3 273.340 0.228 20 30 CCEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cncnc2)C1 ZINC001027379072 625861691 /nfs/dbraw/zinc/86/16/91/625861691.db2.gz WNCCBGFJZGQVEM-CYBMUJFWSA-N 0 3 258.325 0.646 20 30 CCEDHN C#CCN(C)[C@H]1CCCN(C(=O)C2CC(OC)C2)C1 ZINC001027455630 625892630 /nfs/dbraw/zinc/89/26/30/625892630.db2.gz GHFBGCXOGXONNG-MOKVOYLWSA-N 0 3 264.369 0.967 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286.379 0.965 20 30 CCEDHN C#CCN(C)[C@H]1CCCN(C(=O)Cn2ccccc2=O)C1 ZINC001027676386 630847405 /nfs/dbraw/zinc/84/74/05/630847405.db2.gz XQIKEOLAWHUKOJ-AWEZNQCLSA-N 0 3 287.363 0.404 20 30 CCEDHN C#CCCN1CCC[C@H](NC(=O)Cn2cccn2)C1 ZINC001006749103 630849993 /nfs/dbraw/zinc/84/99/93/630849993.db2.gz GWFJALCNRRMFBL-ZDUSSCGKSA-N 0 3 260.341 0.487 20 30 CCEDHN C=CCN1CCC[C@H]1CNC(=O)c1ccc(=O)[nH]n1 ZINC001027730072 630879819 /nfs/dbraw/zinc/87/98/19/630879819.db2.gz JFQSBMSBXJHITE-JTQLQIEISA-N 0 3 262.313 0.562 20 30 CCEDHN C=CCN1CCC[C@@H]1CNC(=O)c1ccc(=O)[nH]n1 ZINC001027730073 630880057 /nfs/dbraw/zinc/88/00/57/630880057.db2.gz JFQSBMSBXJHITE-SNVBAGLBSA-N 0 3 262.313 0.562 20 30 CCEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@H]1CN(C)CCO1 ZINC001027804804 630933577 /nfs/dbraw/zinc/93/35/77/630933577.db2.gz IGCUIUIBMTYLQL-ZIAGYGMSSA-N 0 3 281.400 0.474 20 30 CCEDHN C=C(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1CCNC(=O)C1 ZINC001027824115 630950644 /nfs/dbraw/zinc/95/06/44/630950644.db2.gz DVQKZKLBYSUCGX-CHWSQXEVSA-N 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SQQOERJDWNMDJA-LLVKDONJSA-N 0 3 279.344 0.140 20 30 CCEDHN C#CCCN1CCC[C@@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001007741226 650090516 /nfs/dbraw/zinc/09/05/16/650090516.db2.gz ZNASGQGDUKCICS-QWHCGFSZSA-N 0 3 277.368 0.117 20 30 CCEDHN C=CC[NH2+][C@H]1CCN(C(=O)c2c(C)nc[n-]c2=O)[C@H]1C ZINC000986687996 632788804 /nfs/dbraw/zinc/78/88/04/632788804.db2.gz XUHGYLJVNGNIHG-QWRGUYRKSA-N 0 3 276.340 0.869 20 30 CCEDHN C=C(C)CN1CCC[C@H](NC(=O)c2c[nH]c(=O)n2C)C1 ZINC001008177133 650104208 /nfs/dbraw/zinc/10/42/08/650104208.db2.gz SAGLVOJAEPZHMI-NSHDSACASA-N 0 3 278.356 0.896 20 30 CCEDHN C#CCCN1CCC[C@@H](NC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001008248018 650107284 /nfs/dbraw/zinc/10/72/84/650107284.db2.gz LVCZVCLTEGZLJC-OLZOCXBDSA-N 0 3 277.368 0.069 20 30 CCEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)CC2(O)CCC2)C1 ZINC000988806919 633114495 /nfs/dbraw/zinc/11/44/95/633114495.db2.gz VVFSNKRILFCUIN-RYUDHWBXSA-N 0 3 250.342 0.504 20 30 CCEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cnn(CCF)c2)C1 ZINC000989079735 633145378 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C#CCN[C@H]1C[C@H](C)N(C(=O)c2cnc(C)n2C)C1 ZINC000989349847 633197325 /nfs/dbraw/zinc/19/73/25/633197325.db2.gz HZHLYYQJLOGZEM-JQWIXIFHSA-N 0 3 260.341 0.554 20 30 CCEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2n[nH]cc2F)C1 ZINC000989416553 633216510 /nfs/dbraw/zinc/21/65/10/633216510.db2.gz CFAJRMMMWMEJTP-DTWKUNHWSA-N 0 3 250.277 0.375 20 30 CCEDHN COc1ccc([C@H](NC(C)C)C(=O)NCC#CCO)cc1 ZINC000897675268 633227138 /nfs/dbraw/zinc/22/71/38/633227138.db2.gz WVMVKLWRCBLEPO-HNNXBMFYSA-N 0 3 290.363 0.846 20 30 CCEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ncn(C(C)(C)C)n2)C1 ZINC000989448512 633264661 /nfs/dbraw/zinc/26/46/61/633264661.db2.gz TVDVEAQMARAJPY-NEPJUHHUSA-N 0 3 289.383 0.859 20 30 CCEDHN C[C@H]1C[C@@H](NCC#N)CN1C(=O)CN1CCC(C)(C)C1 ZINC000989450773 633273793 /nfs/dbraw/zinc/27/37/93/633273793.db2.gz PJSPXEILBMKNHP-QWHCGFSZSA-N 0 3 278.400 0.821 20 30 CCEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc(COC)on2)C1 ZINC000989532925 633325211 /nfs/dbraw/zinc/32/52/11/633325211.db2.gz KHDFUWRRPAFDJK-WDEREUQCSA-N 0 3 277.324 0.647 20 30 CCEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2ccc3nncn3c2)C1 ZINC000989551591 633327145 /nfs/dbraw/zinc/32/71/45/633327145.db2.gz WTDLHQXGTRZRNO-YPMHNXCESA-N 0 3 283.335 0.555 20 30 CCEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ccc(=O)n(CC)n2)C1 ZINC000989567799 633328244 /nfs/dbraw/zinc/32/82/44/633328244.db2.gz GAMOZMHRVMITDP-VXGBXAGGSA-N 0 3 288.351 0.089 20 30 CCEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cn3nccc3nc2C)C1 ZINC000989628842 633337976 /nfs/dbraw/zinc/33/79/76/633337976.db2.gz LJGQSDSCAGWBOW-WCQYABFASA-N 0 3 297.362 0.864 20 30 CCEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2nccn3cc(C)nc23)C1 ZINC000989661194 633340620 /nfs/dbraw/zinc/34/06/20/633340620.db2.gz PCYHUPDLNZZCBP-OLZOCXBDSA-N 0 3 297.362 0.864 20 30 CCEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(C#C)cn2)C1 ZINC000989692082 633345813 /nfs/dbraw/zinc/34/58/13/633345813.db2.gz ZPKNOFDTOYCEGO-GXTWGEPZSA-N 0 3 267.332 0.889 20 30 CCEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)Cn2c(C)csc2=O)C1 ZINC000989786336 633354265 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/nfs/dbraw/zinc/74/96/93/814749693.db2.gz SCHZHCQJDXUBIF-DGCLKSJQSA-N 0 3 292.383 0.205 20 30 CCEDHN C=CCN(C)CCN(C)C(=O)[C@@H]1CCC2N=NC(=O)N2C1 ZINC001272048024 814880899 /nfs/dbraw/zinc/88/08/99/814880899.db2.gz BCMGRMGQBCNYCZ-LLVKDONJSA-N 0 3 293.371 0.122 20 30 CCEDHN C=C(C)CCN1CC(NC(=O)[C@@H]2CCCN2C)C1 ZINC001030161621 815854557 /nfs/dbraw/zinc/85/45/57/815854557.db2.gz OPBNCDNHCRFDPD-ZDUSSCGKSA-N 0 3 251.374 0.847 20 30 CCEDHN CC(C)N1CCC[C@H]1C(=O)NC1CN(CC#N)C1 ZINC001030300752 815966012 /nfs/dbraw/zinc/96/60/12/815966012.db2.gz KWLJNRJYFACQQQ-LBPRGKRZSA-N 0 3 250.346 0.183 20 30 CCEDHN CC#CCNCCNC(=O)C[C@H](C)N1CCCCC1=O ZINC001127172333 816023056 /nfs/dbraw/zinc/02/30/56/816023056.db2.gz OROPPBRVRXJPTD-ZDUSSCGKSA-N 0 3 279.384 0.507 20 30 CCEDHN C#Cc1ccc(C(=O)N[C@H]2CCN(CCCO)[C@@H]2C)nc1 ZINC001088990680 816205610 /nfs/dbraw/zinc/20/56/10/816205610.db2.gz KCUGATVPASGTDV-OCCSQVGLSA-N 0 3 287.363 0.638 20 30 CCEDHN C=CCN1CC[C@H](NC(=O)Cn2ccnc2C)[C@H]1C ZINC001089040711 816221637 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ZINC001127316839 816723915 /nfs/dbraw/zinc/72/39/15/816723915.db2.gz CCWFKIXTNHSCNE-UHFFFAOYSA-N 0 3 252.362 0.480 20 30 CCEDHN C=CCN1CC[C@@H](NCCNC(=O)c2ccoc2C)C1=O ZINC001123290232 816904170 /nfs/dbraw/zinc/90/41/70/816904170.db2.gz SBZSMCNGSMZBQF-CYBMUJFWSA-N 0 3 291.351 0.694 20 30 CCEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)c1cc(Cl)c[nH]1 ZINC001123473939 816964481 /nfs/dbraw/zinc/96/44/81/816964481.db2.gz JOZCTMMXTYBOCP-SECBINFHSA-N 0 3 296.758 0.125 20 30 CCEDHN C#CC[N@H+]1CC[C@H](NC(=O)Cc2nnc[n-]2)CC(C)(C)C1 ZINC001089538640 817181646 /nfs/dbraw/zinc/18/16/46/817181646.db2.gz XQTMADAGWSSHCJ-LBPRGKRZSA-N 0 3 289.383 0.587 20 30 CCEDHN C#CC[N@@H+]1CC[C@H](NC(=O)Cc2nnc[n-]2)CC(C)(C)C1 ZINC001089538640 817181649 /nfs/dbraw/zinc/18/16/49/817181649.db2.gz XQTMADAGWSSHCJ-LBPRGKRZSA-N 0 3 289.383 0.587 20 30 CCEDHN CO[C@H](C)CN1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001031620376 817190619 /nfs/dbraw/zinc/19/06/19/817190619.db2.gz HXVCVVLTPZWYAP-SNVBAGLBSA-N 0 3 276.340 0.583 20 30 CCEDHN C#CCCN1CC(CNC(=O)c2cnc3n2CCOC3)C1 ZINC001031745245 817309776 /nfs/dbraw/zinc/30/97/76/817309776.db2.gz IEZMDTQFPQMMHG-UHFFFAOYSA-N 0 3 288.351 0.098 20 30 CCEDHN C=CCCN1C[C@@H](NC(=O)CO[C@@H]2CCOC2)[C@H](OC)C1 ZINC001212277081 817318269 /nfs/dbraw/zinc/31/82/69/817318269.db2.gz AYRYPDDZRQFIGR-MGPQQGTHSA-N 0 3 298.383 0.183 20 30 CCEDHN C=CCCN1C[C@@H](NC(=O)c2c[nH]c(=O)cc2C)[C@@H](O)C1 ZINC001083768703 817431396 /nfs/dbraw/zinc/43/13/96/817431396.db2.gz MNDVSBGGTZFDBR-OLZOCXBDSA-N 0 3 291.351 0.447 20 30 CCEDHN CC#CCNCCNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001127674165 817438200 /nfs/dbraw/zinc/43/82/00/817438200.db2.gz GROHQVVJLKMZIL-UONOGXRCSA-N 0 3 257.337 0.914 20 30 CCEDHN C=C(C)CN1CC(CNC(=O)[C@H]2CCCc3nn[nH]c32)C1 ZINC001031931532 817474429 /nfs/dbraw/zinc/47/44/29/817474429.db2.gz QIQPRZYPWROPJM-LBPRGKRZSA-N 0 3 289.383 0.849 20 30 CCEDHN C=C[C@@H]1OCC[C@H]1C(=O)NCC1CN(CCCF)C1 ZINC001031987386 817526529 /nfs/dbraw/zinc/52/65/29/817526529.db2.gz LFKABALMNJDZQG-OLZOCXBDSA-N 0 3 270.348 0.985 20 30 CCEDHN C=CCOCC(=O)NCCNCc1ccc(OC)nc1 ZINC001124765092 817568123 /nfs/dbraw/zinc/56/81/23/817568123.db2.gz KWOMUXPIVXOOHD-UHFFFAOYSA-N 0 3 279.340 0.499 20 30 CCEDHN Cc1ncc(CNCCNC(=O)[C@H](C)C#N)s1 ZINC001124889696 817617055 /nfs/dbraw/zinc/61/70/55/817617055.db2.gz SUKBJNXTOYXMOL-MRVPVSSYSA-N 0 3 252.343 0.817 20 30 CCEDHN C[C@H](C#N)C(=O)NCCNCc1ccnc(N(C)C)c1 ZINC001124890562 817619064 /nfs/dbraw/zinc/61/90/64/817619064.db2.gz ZQGCUOFMGCWGEC-LLVKDONJSA-N 0 3 275.356 0.513 20 30 CCEDHN C[C@@H](C#N)C(=O)NCCNCC(=O)NCc1ccccc1 ZINC001124890536 817619311 /nfs/dbraw/zinc/61/93/11/817619311.db2.gz YYZUZFSQJLRZGM-LBPRGKRZSA-N 0 3 288.351 0.168 20 30 CCEDHN CC[C@H]1CCCCN1C(=O)CNCCNC(=O)[C@@H](C)C#N ZINC001124901907 817627185 /nfs/dbraw/zinc/62/71/85/817627185.db2.gz FKAPVSUNPWBTIY-STQMWFEESA-N 0 3 294.399 0.643 20 30 CCEDHN CC(C)N(C)C(=O)[C@H](C)NCCNC(=O)[C@@H](C)C#N ZINC001124901966 817628942 /nfs/dbraw/zinc/62/89/42/817628942.db2.gz FPRRKHJVVRULAG-QWRGUYRKSA-N 0 3 268.361 0.107 20 30 CCEDHN C[C@H](C#N)C(=O)NCCN[C@H](C)C(=O)NC(C)(C)C ZINC001124908466 817632670 /nfs/dbraw/zinc/63/26/70/817632670.db2.gz LFZCYGZXONPTLU-NXEZZACHSA-N 0 3 268.361 0.155 20 30 CCEDHN C#CCC(C)(C)C(=O)NCCN1CCN(CC)CC1 ZINC000185060383 817638026 /nfs/dbraw/zinc/63/80/26/817638026.db2.gz HZUXKGVOOZMHFS-UHFFFAOYSA-N 0 3 265.401 0.790 20 30 CCEDHN C#CCCN1CC(CNC(=O)[C@H]2C[C@]23CCOC3)C1 ZINC001032116519 817643882 /nfs/dbraw/zinc/64/38/82/817643882.db2.gz SDIHNEFFMHIVBZ-HIFRSBDPSA-N 0 3 262.353 0.484 20 30 CCEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)CC2=CCOCC2)C1 ZINC001077628881 817887773 /nfs/dbraw/zinc/88/77/73/817887773.db2.gz YESJJLZQQVWUPP-ZIAGYGMSSA-N 0 3 280.368 0.461 20 30 CCEDHN C=C(C)CN1C[C@@H](O)[C@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC001077675330 817980785 /nfs/dbraw/zinc/98/07/85/817980785.db2.gz JIZISWZBRYLDLY-BFHYXJOUSA-N 0 3 281.400 0.208 20 30 CCEDHN C=C(C)CCN1C[C@@H](NC(=O)[C@H]2CC23CC3)[C@@H](O)C1 ZINC001083807784 818063272 /nfs/dbraw/zinc/06/32/72/818063272.db2.gz WQSINGRWPOVFKE-UPJWGTAASA-N 0 3 264.369 0.914 20 30 CCEDHN CC#CCNCCNC(=O)Cn1nc(C)cc1C(F)F ZINC001128184568 818106365 /nfs/dbraw/zinc/10/63/65/818106365.db2.gz QRNCOHRZKMDGEI-UHFFFAOYSA-N 0 3 284.310 0.858 20 30 CCEDHN C#CCNCCNC(=O)c1[nH]nc2c1cccc2OC ZINC001128366789 818205140 /nfs/dbraw/zinc/20/51/40/818205140.db2.gz CXWWFBXILVNBKY-UHFFFAOYSA-N 0 3 272.308 0.524 20 30 CCEDHN C#CCCN1CC[C@@H](NC(=O)c2ccccn2)[C@H](O)C1 ZINC001090015746 818274980 /nfs/dbraw/zinc/27/49/80/818274980.db2.gz ZRAJKKIZXXVXGR-TZMCWYRMSA-N 0 3 273.336 0.270 20 30 CCEDHN C=C(C)CN1CC[C@@H](NC(=O)C2=COCCO2)[C@H](O)C1 ZINC001090030107 818293827 /nfs/dbraw/zinc/29/38/27/818293827.db2.gz JMDTVRBNWQACGO-VXGBXAGGSA-N 0 3 282.340 0.002 20 30 CCEDHN C=C(C)CN1CC[C@H](N(C)C(=O)c2ccc(=O)[nH]n2)C1 ZINC001032886953 818336857 /nfs/dbraw/zinc/33/68/57/818336857.db2.gz CSFSQXSLXULEOM-NSHDSACASA-N 0 3 276.340 0.905 20 30 CCEDHN C#CCCN1CC[C@H](N(C)C(=O)c2c[nH]c(C)n2)C1 ZINC001032956784 818384819 /nfs/dbraw/zinc/38/48/19/818384819.db2.gz IZWZPENTJVGNSH-LBPRGKRZSA-N 0 3 260.341 0.888 20 30 CCEDHN CC#CCN1CC[C@@H](N(C)C(=O)[C@H]2CCCN2C)C1 ZINC001032960620 818390315 /nfs/dbraw/zinc/39/03/15/818390315.db2.gz XVWLAKPNTLJJCH-ZIAGYGMSSA-N 0 3 263.385 0.637 20 30 CCEDHN C[C@@H](O)CN1CC[C@H](N(C)C(=O)c2cc(C#N)c[nH]2)C1 ZINC001032985741 818409451 /nfs/dbraw/zinc/40/94/51/818409451.db2.gz KAAIXFJBQZECQG-PWSUYJOCSA-N 0 3 276.340 0.413 20 30 CCEDHN C#CCCN1CC[C@H](NC(=O)c2snnc2C)[C@H](O)C1 ZINC001090062577 818434777 /nfs/dbraw/zinc/43/47/77/818434777.db2.gz AIPVBAFUQKLTFN-WDEREUQCSA-N 0 3 294.380 0.035 20 30 CCEDHN C#CCCN1CC[C@@H](NC(=O)c2cc(C)no2)[C@H](O)C1 ZINC001090071024 818456569 /nfs/dbraw/zinc/45/65/69/818456569.db2.gz XTNDONYLVDFWGK-VXGBXAGGSA-N 0 3 277.324 0.171 20 30 CCEDHN C=CCCN1C[C@@H](NC(=O)c2cn(CC)nc2C)[C@@H](O)C1 ZINC001083824418 818470005 /nfs/dbraw/zinc/47/00/05/818470005.db2.gz VVCZAJINNLNMQC-KGLIPLIRSA-N 0 3 292.383 0.562 20 30 CCEDHN Cc1nc(C#N)c(C#N)nc1NC(=N)N1CCN(C)CC1 ZINC001168735920 818540585 /nfs/dbraw/zinc/54/05/85/818540585.db2.gz IFOXMHPPWODHPP-UHFFFAOYSA-N 0 3 284.327 0.122 20 30 CCEDHN C#CCCN1CC[C@H](N(C)C(=O)c2cc3n(n2)CCC3)C1 ZINC001033129349 818554154 /nfs/dbraw/zinc/55/41/54/818554154.db2.gz XKDVBOUWWBWZKN-AWEZNQCLSA-N 0 3 286.379 0.999 20 30 CCEDHN C#CCN1C[C@]2(CCN(C[C@@H]3CCCO3)C2)OCC1=O ZINC001273073017 818567606 /nfs/dbraw/zinc/56/76/06/818567606.db2.gz RUOPZFBGNVYBHT-DZGCQCFKSA-N 0 3 278.352 0.102 20 30 CCEDHN C#CCCN1CC[C@@H](N(C)C(=O)Cc2cn(C)nc2C)C1 ZINC001033150284 818574451 /nfs/dbraw/zinc/57/44/51/818574451.db2.gz BYSGYBWPDMVSRS-OAHLLOKOSA-N 0 3 288.395 0.827 20 30 CCEDHN C#CCN1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(CCOC)C1 ZINC001033160780 818587820 /nfs/dbraw/zinc/58/78/20/818587820.db2.gz IHZPPSRFUINURE-CABCVRRESA-N 0 3 293.411 0.263 20 30 CCEDHN C#CCCN1CC[C@@H](N(C)C(=O)C2CC(OC)C2)C1 ZINC001033178283 818602232 /nfs/dbraw/zinc/60/22/32/818602232.db2.gz VZKOFHNDFFCFOP-ROKHWSDSSA-N 0 3 264.369 0.967 20 30 CCEDHN C#CCNC1(CNC(=O)c2ccc3c(c2)nnn3C)CCC1 ZINC001273106252 818615740 /nfs/dbraw/zinc/61/57/40/818615740.db2.gz NPQCTPVCZLSYNQ-UHFFFAOYSA-N 0 3 297.362 0.844 20 30 CCEDHN C=C(C)CN1CC[C@H](NC(=O)Cn2cc(C)cn2)[C@H](O)C1 ZINC001090111230 818617354 /nfs/dbraw/zinc/61/73/54/818617354.db2.gz JXFIKGBJARSNNG-UONOGXRCSA-N 0 3 292.383 0.319 20 30 CCEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@H]2CCN(C)C(=O)C2)C1 ZINC001033204679 818650259 /nfs/dbraw/zinc/65/02/59/818650259.db2.gz SUPUPITZDZWRGB-UONOGXRCSA-N 0 3 291.395 0.411 20 30 CCEDHN C=CCN1CC[C@H](N(C)C(=O)C[C@H]2CCCC(=O)N2)C1 ZINC001033245282 818674744 /nfs/dbraw/zinc/67/47/44/818674744.db2.gz CIQPMFVQEROWPT-OLZOCXBDSA-N 0 3 279.384 0.764 20 30 CCEDHN C=C(C)CN1CC[C@@H](NC(=O)CC2CCOCC2)[C@H](O)C1 ZINC001090129687 818684929 /nfs/dbraw/zinc/68/49/29/818684929.db2.gz OZWDDCVOJXWDHM-HUUCEWRRSA-N 0 3 296.411 0.931 20 30 CCEDHN C#CCNC1(CNC(=O)[C@H]2CCNC(=O)CC2)CCC1 ZINC001273130061 818703063 /nfs/dbraw/zinc/70/30/63/818703063.db2.gz YNUGWDYBJZQTFA-GFCCVEGCSA-N 0 3 277.368 0.164 20 30 CCEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC001033428620 818774295 /nfs/dbraw/zinc/77/42/95/818774295.db2.gz ZNWHARBQBGCEDS-RDBSUJKOSA-N 0 3 293.411 0.997 20 30 CCEDHN C=CCCN1CC[C@@H](N(C)C(=O)c2cnon2)C1 ZINC001033518818 818809660 /nfs/dbraw/zinc/80/96/60/818809660.db2.gz PINWNDLRBZDXDP-SNVBAGLBSA-N 0 3 250.302 0.792 20 30 CCEDHN C=C(C)CN1CC[C@@H](NC(=O)Cc2cnn(C)c2)[C@@H](O)C1 ZINC001090139105 818811660 /nfs/dbraw/zinc/81/16/60/818811660.db2.gz ZLFWKXQYZPTYIK-KGLIPLIRSA-N 0 3 292.383 0.090 20 30 CCEDHN C#CCCN1CC[C@H](N(C)C(=O)c2nc3ncccn3n2)C1 ZINC001033521237 818819155 /nfs/dbraw/zinc/81/91/55/818819155.db2.gz IXSJJNJRECZNTF-LBPRGKRZSA-N 0 3 298.350 0.294 20 30 CCEDHN CN(CCO)CCN(C)C(=O)c1cccc(C#N)c1 ZINC000701024242 818886016 /nfs/dbraw/zinc/88/60/16/818886016.db2.gz CELLOQBTSCQGJU-UHFFFAOYSA-N 0 3 261.325 0.554 20 30 CCEDHN C#CCCN1CC[C@@H](N(C)C(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001033689067 818890038 /nfs/dbraw/zinc/89/00/38/818890038.db2.gz WOAOTCBXNXLDTM-ZIAGYGMSSA-N 0 3 291.395 0.411 20 30 CCEDHN C#CCN1CC[C@@H](N(CC)C(=O)c2cnc(C)[nH]2)C1 ZINC001033775345 818927740 /nfs/dbraw/zinc/92/77/40/818927740.db2.gz MWZJAAPJCPYGJV-GFCCVEGCSA-N 0 3 260.341 0.888 20 30 CCEDHN C#CCCN1CC[C@H](N(CC)C(=O)[C@H]2COCCN2C)C1 ZINC001033801976 818948939 /nfs/dbraw/zinc/94/89/39/818948939.db2.gz NLGLEFGHQGVBRM-LSDHHAIUSA-N 0 3 293.411 0.263 20 30 CCEDHN CCN(C(=O)c1c[nH]c(C#N)c1)[C@H]1CCN(C[C@@H](C)O)C1 ZINC001033802175 818949230 /nfs/dbraw/zinc/94/92/30/818949230.db2.gz QOWGIWRKADSULA-RISCZKNCSA-N 0 3 290.367 0.804 20 30 CCEDHN C=C(C)CN1CC[C@@H](N(CC)C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001033919387 818993756 /nfs/dbraw/zinc/99/37/56/818993756.db2.gz MCBAXXKGZSVVDE-CHWSQXEVSA-N 0 3 294.399 0.509 20 30 CCEDHN C#CCNCCNC(=O)c1cnn(C(C)(C)C)c1C ZINC001128800479 819024707 /nfs/dbraw/zinc/02/47/07/819024707.db2.gz UPUINSLEJMIZGP-UHFFFAOYSA-N 0 3 262.357 0.899 20 30 CCEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001034148590 819096593 /nfs/dbraw/zinc/09/65/93/819096593.db2.gz LTLHNUDMMSWUBP-CABCVRRESA-N 0 3 295.427 0.864 20 30 CCEDHN C=C(C)CN1CCCC[C@@H](NC(=O)[C@@H]2COCCN2C)C1 ZINC001034175299 819101190 /nfs/dbraw/zinc/10/11/90/819101190.db2.gz OIMOHEDZZVNVQW-CABCVRRESA-N 0 3 295.427 0.864 20 30 CCEDHN CC#CCN1CCCC[C@@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001034266769 819147961 /nfs/dbraw/zinc/14/79/61/819147961.db2.gz YHXPWGZHHQCGPL-GFCCVEGCSA-N 0 3 288.351 0.790 20 30 CCEDHN C#CCN1CCCC[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001034271333 819150072 /nfs/dbraw/zinc/15/00/72/819150072.db2.gz IAOINOTYLYFPFV-QLFBSQMISA-N 0 3 293.411 0.309 20 30 CCEDHN COCC#CCNCCNC(=O)[C@@H]1CCC(F)(F)C1 ZINC001128936682 819165899 /nfs/dbraw/zinc/16/58/99/819165899.db2.gz XJFUDDMAUIROBC-LLVKDONJSA-N 0 3 274.311 0.777 20 30 CCEDHN C=CCN1CCCC[C@H](NC(=O)[C@H]2CCN(C)C2=O)C1 ZINC001034346571 819177972 /nfs/dbraw/zinc/17/79/72/819177972.db2.gz HVCYZCALMDAKLO-QWHCGFSZSA-N 0 3 279.384 0.621 20 30 CCEDHN C#CCCN1CC[C@@H](NC(=O)c2coc(C)c2)[C@H](O)C1 ZINC001090210247 819192297 /nfs/dbraw/zinc/19/22/97/819192297.db2.gz MDVCEEPDCNULOE-ZIAGYGMSSA-N 0 3 276.336 0.776 20 30 CCEDHN C#CCCN1CCCC[C@@H](NC(=O)c2nonc2C)C1 ZINC001034552260 819235100 /nfs/dbraw/zinc/23/51/00/819235100.db2.gz JMNKLJHHTNFMNN-GFCCVEGCSA-N 0 3 276.340 0.986 20 30 CCEDHN C#CCCN1CC[C@H](NC(=O)c2ccncc2C)[C@@H](O)C1 ZINC001090238262 819291998 /nfs/dbraw/zinc/29/19/98/819291998.db2.gz WEBUVGQMNHOTFL-GJZGRUSLSA-N 0 3 287.363 0.578 20 30 CCEDHN C=CCN1CCO[C@H](CNC(=O)[C@H]2CCCN2C(C)C)C1 ZINC001035365706 819489911 /nfs/dbraw/zinc/48/99/11/819489911.db2.gz KWEQVFMODKPKBL-HUUCEWRRSA-N 0 3 295.427 0.862 20 30 CCEDHN C=C(C)CN1CC2(C1)CCN(C(=O)[C@@H]1CNC(=O)N1)CC2 ZINC001035779361 819622273 /nfs/dbraw/zinc/62/22/73/819622273.db2.gz MKKUXIJNZDHJFD-LBPRGKRZSA-N 0 3 292.383 0.168 20 30 CCEDHN C#CCCN1CC2(C1)CCN(C(=O)[C@H]1[C@@H]3COC[C@@H]31)CC2 ZINC001035773613 819627706 /nfs/dbraw/zinc/62/77/06/819627706.db2.gz YMOYDCVGKRUDSD-FICVDOATSA-N 0 3 288.391 0.827 20 30 CCEDHN C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CC[C@@H]1NCC#N ZINC001036053200 819678380 /nfs/dbraw/zinc/67/83/80/819678380.db2.gz DTBJASDVQWTXTO-OLZOCXBDSA-N 0 3 278.400 0.821 20 30 CCEDHN C#CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3nnc[n-]3)CC[C@@H]21 ZINC001036682068 820001983 /nfs/dbraw/zinc/00/19/83/820001983.db2.gz XNXUXDOPMUSRPN-OLZOCXBDSA-N 0 3 287.367 0.293 20 30 CCEDHN C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3nnc[n-]3)CC[C@@H]21 ZINC001036682068 820001990 /nfs/dbraw/zinc/00/19/90/820001990.db2.gz XNXUXDOPMUSRPN-OLZOCXBDSA-N 0 3 287.367 0.293 20 30 CCEDHN C#CCCN1CC[C@H](NC(=O)C2(C)CC2)[C@@H](O)C1 ZINC001090283598 820085239 /nfs/dbraw/zinc/08/52/39/820085239.db2.gz PHNJWKBFWDKHDP-RYUDHWBXSA-N 0 3 250.342 0.361 20 30 CCEDHN C#CCCN1CC[C@@H](NC(=O)C2(C)CC2)[C@@H](O)C1 ZINC001090283596 820085783 /nfs/dbraw/zinc/08/57/83/820085783.db2.gz PHNJWKBFWDKHDP-NEPJUHHUSA-N 0 3 250.342 0.361 20 30 CCEDHN C#CCNC1(CNC(=O)CCC(=O)NCCC)CCC1 ZINC001273185729 820096335 /nfs/dbraw/zinc/09/63/35/820096335.db2.gz 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PNCGSXIHPSCBEI-NSHDSACASA-N 0 3 276.340 0.083 20 30 CCEDHN Cc1cc(C)cc(NC(=O)C(C#N)c2nc(N)nc(N)n2)c1 ZINC000121978934 350060582 /nfs/dbraw/zinc/06/05/82/350060582.db2.gz LACLPDMFKCSUNE-JTQLQIEISA-N 0 3 297.322 0.899 20 30 CCEDHN C[C@@H]1CCN[C@@H](C(=O)N2CCN(CCC#N)CC2)C1 ZINC000127540842 350171478 /nfs/dbraw/zinc/17/14/78/350171478.db2.gz UGLHUGASAOPBRU-CHWSQXEVSA-N 0 3 264.373 0.432 20 30 CCEDHN N#Cc1ccc(NC(=O)CCN2C[C@@H]3C[C@]3(O)C2)cc1 ZINC000603085246 362953559 /nfs/dbraw/zinc/95/35/59/362953559.db2.gz DHSBCUDENFPVBT-WFASDCNBSA-N 0 3 271.320 0.953 20 30 CCEDHN C=CCCO[C@@H](C)C(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000618305080 365980610 /nfs/dbraw/zinc/98/06/10/365980610.db2.gz JKNAYXJVZDXSSO-ZDUSSCGKSA-N 0 3 299.415 0.446 20 30 CCEDHN C=CCN1CCC(NC(=O)NCCNC(=O)C2CC2)CC1 ZINC000171700139 350929026 /nfs/dbraw/zinc/92/90/26/350929026.db2.gz JJIBUDLGRYXUIU-UHFFFAOYSA-N 0 3 294.399 0.462 20 30 CCEDHN C=CCN1CCC(NC(=O)N[C@@H](C)C(=O)N(C)C)CC1 ZINC000171714343 350931111 /nfs/dbraw/zinc/93/11/11/350931111.db2.gz PDXTWQBLBNXMEO-NSHDSACASA-N 0 3 282.388 0.413 20 30 CCEDHN COC[C@H](N)Cc1cn(CCc2ccc(C#N)cc2)nn1 ZINC000603249562 363021678 /nfs/dbraw/zinc/02/16/78/363021678.db2.gz YQFIXPMASUAETF-CQSZACIVSA-N 0 3 285.351 0.909 20 30 CCEDHN C=CCOCCCNC(=O)c1ccn(CCN(C)C)n1 ZINC000618515907 366034668 /nfs/dbraw/zinc/03/46/68/366034668.db2.gz HUVOCLJBQFECNI-UHFFFAOYSA-N 0 3 280.372 0.767 20 30 CCEDHN COCCN(C)CCNCc1cc(C#N)n(C)c1 ZINC000189592384 351691581 /nfs/dbraw/zinc/69/15/81/351691581.db2.gz IUYOXEHBMRKJLV-UHFFFAOYSA-N 0 3 250.346 0.565 20 30 CCEDHN N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[NH2+]C2)s1 ZINC000230369742 352114167 /nfs/dbraw/zinc/11/41/67/352114167.db2.gz CMVFLUPYPADIIH-QMMMGPOBSA-N 0 3 271.367 0.650 20 30 CCEDHN COCCOC[C@@H](O)CNCc1cccc(C#N)c1 ZINC000234732405 352167990 /nfs/dbraw/zinc/16/79/90/352167990.db2.gz ZJBFRWVEQWSPEL-AWEZNQCLSA-N 0 3 264.325 0.672 20 30 CCEDHN Cn1cc(CNC[C@@H]2CN(C)CCN2C)cc1C#N ZINC000232315277 352143528 /nfs/dbraw/zinc/14/35/28/352143528.db2.gz XNMCKDMSBQRREC-CQSZACIVSA-N 0 3 261.373 0.232 20 30 CCEDHN Cn1cc(CNC[C@H]2CN(C)CCN2C)cc1C#N ZINC000232315279 352143600 /nfs/dbraw/zinc/14/36/00/352143600.db2.gz XNMCKDMSBQRREC-AWEZNQCLSA-N 0 3 261.373 0.232 20 30 CCEDHN N#Cc1cc(NC[C@@H]2CSCCN2)nc(C2CC2)n1 ZINC000603418221 363122646 /nfs/dbraw/zinc/12/26/46/363122646.db2.gz DNUUYKGJWSLKPN-LLVKDONJSA-N 0 3 275.381 0.764 20 30 CCEDHN COC(=O)c1ccc(NC[C@@H]2CSCCN2)c(C#N)n1 ZINC000603418211 363123020 /nfs/dbraw/zinc/12/30/20/363123020.db2.gz DJZWFKKAPZFQNA-SECBINFHSA-N 0 3 292.364 0.857 20 30 CCEDHN COCCNCCNC(=O)NCc1ccc(C#N)c(F)c1 ZINC000418269654 234046047 /nfs/dbraw/zinc/04/60/47/234046047.db2.gz SYUODPFHZDWOAL-UHFFFAOYSA-N 0 3 294.330 0.733 20 30 CCEDHN CN(C)C/C=C/C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000265665978 352654681 /nfs/dbraw/zinc/65/46/81/352654681.db2.gz RXRDTRJMXZPGIE-ONEGZZNKSA-N 0 3 299.378 0.720 20 30 CCEDHN C=CCNC(=O)CN1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000604389957 363193555 /nfs/dbraw/zinc/19/35/55/363193555.db2.gz ZUWNTCBFRRBHDY-CQSZACIVSA-N 0 3 280.416 0.000 20 30 CCEDHN CN(C)CCn1cc(NC(=O)c2c[nH]c(C#N)c2)ccc1=O ZINC000272265607 353047374 /nfs/dbraw/zinc/04/73/74/353047374.db2.gz CIVRAPWFIRLHAB-UHFFFAOYSA-N 0 3 299.334 0.862 20 30 CCEDHN CS[C@H]1CN(c2cnc(C#N)cn2)C[C@H]1N(C)C ZINC000274653122 353150067 /nfs/dbraw/zinc/15/00/67/353150067.db2.gz GUHPSGGTWDYSJT-MNOVXSKESA-N 0 3 263.370 0.830 20 30 CCEDHN C=C(C)CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000275093284 353184203 /nfs/dbraw/zinc/18/42/03/353184203.db2.gz AGDMFRVVDUMMSO-LLVKDONJSA-N 0 3 253.346 0.089 20 30 CCEDHN CN(C)C[C@@](C)(O)CNC(=O)Nc1cccc(C#N)c1 ZINC000154611446 188153360 /nfs/dbraw/zinc/15/33/60/188153360.db2.gz FJGUCWOWSJLTLA-AWEZNQCLSA-N 0 3 276.340 0.992 20 30 CCEDHN N#Cc1ccc(S(=O)(=O)[N-]CCCN2CCCC2)o1 ZINC000286720713 353605886 /nfs/dbraw/zinc/60/58/86/353605886.db2.gz SGOPGGCPYMQQGX-UHFFFAOYSA-N 0 3 283.353 0.915 20 30 CCEDHN N#Cc1ccc(S(=O)(=O)[N-]CCC[NH+]2CCCC2)o1 ZINC000286720713 353605887 /nfs/dbraw/zinc/60/58/87/353605887.db2.gz SGOPGGCPYMQQGX-UHFFFAOYSA-N 0 3 283.353 0.915 20 30 CCEDHN CC(C)N(CCN(C)C)C(=O)NCCn1cnc(C#N)n1 ZINC000287793206 353667923 /nfs/dbraw/zinc/66/79/23/353667923.db2.gz IASVGWNBWXRWSJ-UHFFFAOYSA-N 0 3 293.375 0.131 20 30 CCEDHN C#CCN(C)CCCNC(=O)c1cc(C#N)ccn1 ZINC000294000246 353858909 /nfs/dbraw/zinc/85/89/09/353858909.db2.gz ORTVZHYIXDUPDE-UHFFFAOYSA-N 0 3 256.309 0.638 20 30 CCEDHN C#CCN(C)CCCNC(=O)CNC(=O)C(C)(C)C ZINC000294028127 353861654 /nfs/dbraw/zinc/86/16/54/353861654.db2.gz RELOOUSLPQBWBI-UHFFFAOYSA-N 0 3 267.373 0.220 20 30 CCEDHN C#CCN(C)CCCNC(=O)[C@@H]1CCCN1C(=O)CCC ZINC000294040207 353863222 /nfs/dbraw/zinc/86/32/22/353863222.db2.gz SJUPJNLUTQFSGX-AWEZNQCLSA-N 0 3 293.411 0.849 20 30 CCEDHN C#CCN(C)CCCNC(=O)c1cccc(C(=O)OC)n1 ZINC000294048542 353863676 /nfs/dbraw/zinc/86/36/76/353863676.db2.gz TYACHPIMZBGXSM-UHFFFAOYSA-N 0 3 289.335 0.553 20 30 CCEDHN C#CCN(C)CCCNC(=O)c1cccc(-n2cccn2)n1 ZINC000294080591 353866861 /nfs/dbraw/zinc/86/68/61/353866861.db2.gz WTFRCRXJEULXHL-UHFFFAOYSA-N 0 3 297.362 0.952 20 30 CCEDHN C#CCN(C)CCCNC(=O)NCCCc1nc(C)no1 ZINC000296434002 353947289 /nfs/dbraw/zinc/94/72/89/353947289.db2.gz TVEKJQKGBNFODO-UHFFFAOYSA-N 0 3 293.371 0.565 20 30 CCEDHN C#CCN(C)CCCNC(=O)NCC(C)(C)C(=O)NCC ZINC000296437091 353947324 /nfs/dbraw/zinc/94/73/24/353947324.db2.gz JJEMLGMFZHMMSJ-UHFFFAOYSA-N 0 3 296.415 0.403 20 30 CCEDHN C#CCN(C)CCCNC(=O)N[C@H](CO)C/C=C/C ZINC000296754260 353957381 /nfs/dbraw/zinc/95/73/81/353957381.db2.gz FISAWVQDPPFSOG-BPJJOFIESA-N 0 3 267.373 0.568 20 30 CCEDHN CN(CCCO)C[C@H](O)COc1ccccc1C#N ZINC000311366436 354199451 /nfs/dbraw/zinc/19/94/51/354199451.db2.gz GXGGILIEROUVLS-ZDUSSCGKSA-N 0 3 264.325 0.612 20 30 CCEDHN C[C@H](CCCC[NH3+])[N-]S(=O)(=O)c1cccnc1C#N ZINC000336817930 355191213 /nfs/dbraw/zinc/19/12/13/355191213.db2.gz SKBXJXFPYGNBDX-SNVBAGLBSA-N 0 3 282.369 0.749 20 30 CCEDHN C[C@H](C(=O)N[C@@H]1CCCN(C)[C@@H]1C)n1cnc(C#N)n1 ZINC000337027830 355251794 /nfs/dbraw/zinc/25/17/94/355251794.db2.gz BWUDRHJQEBOYDE-GMTAPVOTSA-N 0 3 276.344 0.310 20 30 CCEDHN C=CCN1CC[C@H](N(C)[C@H]2CCN(C3CC3)C2)C1=O ZINC000337186255 355280468 /nfs/dbraw/zinc/28/04/68/355280468.db2.gz OTDXKYFYSQINBN-KBPBESRZSA-N 0 3 263.385 0.942 20 30 CCEDHN C[C@H](CNC(=O)NCC(=O)NCC#N)N1CCC[C@H](C)C1 ZINC000344895175 355795771 /nfs/dbraw/zinc/79/57/71/355795771.db2.gz PRPUHZZNMLYLBJ-NWDGAFQWSA-N 0 3 295.387 0.046 20 30 CCEDHN C[C@@H]1CCCN(CCNC(=O)c2cnn(C)c2C#N)C1 ZINC000354590553 356446970 /nfs/dbraw/zinc/44/69/70/356446970.db2.gz FAOOMYLPIWWNQA-LLVKDONJSA-N 0 3 275.356 0.753 20 30 CCEDHN C=CCOCC(=O)N1CCN(C2CCN(C)CC2)[C@H](C)C1 ZINC000354986804 356545025 /nfs/dbraw/zinc/54/50/25/356545025.db2.gz KVHJSASOBXYXDV-CQSZACIVSA-N 0 3 295.427 0.816 20 30 CCEDHN C[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)c1cnn(C)c1C#N ZINC000560768224 291112658 /nfs/dbraw/zinc/11/26/58/291112658.db2.gz GQMSQMABJGTAIO-VXGBXAGGSA-N 0 3 287.367 0.991 20 30 CCEDHN CN(Cc1ccccc1)[C@H]1CCN(CC(=O)NCC#N)C1 ZINC000610433508 363558413 /nfs/dbraw/zinc/55/84/13/363558413.db2.gz OURCOBJLWMRGLY-HNNXBMFYSA-N 0 3 286.379 0.832 20 30 CCEDHN C=C[C@H](C(=O)OC)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000619722168 366341922 /nfs/dbraw/zinc/34/19/22/366341922.db2.gz POQYOGXRBXMZCI-NWDGAFQWSA-N 0 3 270.373 0.491 20 30 CCEDHN C=CCN1CCC(NC(=O)[C@H]2CCC(=O)NC2)CC1 ZINC000357825585 356773174 /nfs/dbraw/zinc/77/31/74/356773174.db2.gz ZFSBHEDXQNBFCF-NSHDSACASA-N 0 3 265.357 0.279 20 30 CCEDHN COCCOC[C@@H](O)CNCc1ccc(C#N)c(F)c1 ZINC000404108212 357815487 /nfs/dbraw/zinc/81/54/87/357815487.db2.gz ISVDHXXUKIFWMN-ZDUSSCGKSA-N 0 3 282.315 0.811 20 30 CCEDHN Cc1onc(CC(=O)N(C)C2CCN(C)CC2)c1C#N ZINC000408148292 357940611 /nfs/dbraw/zinc/94/06/11/357940611.db2.gz ARAVCVLQNHHWGR-UHFFFAOYSA-N 0 3 276.340 0.950 20 30 CCEDHN C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(C)[C@@H](C(C)C)C1 ZINC000487975413 358287037 /nfs/dbraw/zinc/28/70/37/358287037.db2.gz BYMUKVYFCYTUAW-CHWSQXEVSA-N 0 3 296.415 0.659 20 30 CCEDHN C#CCN1CCC(C(=O)NCCC[C@@H](C)O)CC1 ZINC000491474192 358294696 /nfs/dbraw/zinc/29/46/96/358294696.db2.gz KSEATXAKNFVYRX-GFCCVEGCSA-N 0 3 252.358 0.609 20 30 CCEDHN C#C[C@@H](NC(=O)N[C@@H]1CNCCC1(F)F)C(C)C ZINC000491674442 358296790 /nfs/dbraw/zinc/29/67/90/358296790.db2.gz ROKHEXFLFDPFGA-NXEZZACHSA-N 0 3 259.300 0.941 20 30 CCEDHN C[C@@H]1CCN(CCNC(=O)c2ccc(C#N)n2C)C1 ZINC000562529137 291157345 /nfs/dbraw/zinc/15/73/45/291157345.db2.gz QPIQLPDAYYHKQN-LLVKDONJSA-N 0 3 260.341 0.968 20 30 CCEDHN CN1CCN(C(=O)Nc2ccc(F)c(C#N)c2)[C@@H](CN)C1 ZINC000573545794 358976760 /nfs/dbraw/zinc/97/67/60/358976760.db2.gz QNSJFIIVSGVSPP-LBPRGKRZSA-N 0 3 291.330 0.804 20 30 CCEDHN CN1CCN(C(=O)Nc2ccc(F)c(C#N)c2)[C@H](CN)C1 ZINC000573545793 358977378 /nfs/dbraw/zinc/97/73/78/358977378.db2.gz QNSJFIIVSGVSPP-GFCCVEGCSA-N 0 3 291.330 0.804 20 30 CCEDHN N#CCNC(=O)CNCCC(=O)Nc1ccc(Cl)cc1 ZINC000580770311 359091392 /nfs/dbraw/zinc/09/13/92/359091392.db2.gz XUQKXZUDBHJPPM-UHFFFAOYSA-N 0 3 294.742 0.898 20 30 CCEDHN C[C@H](N[C@H]1C[C@@H](O)C1(C)C)C(=O)N(C)CCC#N ZINC000581019780 359121348 /nfs/dbraw/zinc/12/13/48/359121348.db2.gz MQEJAJUVUCJYPU-GARJFASQSA-N 0 3 253.346 0.496 20 30 CCEDHN CC[C@@H]1CN(C)CCCN1C(=O)Cn1cnc(C#N)n1 ZINC000588821843 359339634 /nfs/dbraw/zinc/33/96/34/359339634.db2.gz KWVZWNDZJYAFLK-LLVKDONJSA-N 0 3 276.344 0.092 20 30 CCEDHN N#Cc1ccc(C(=O)N[C@H](CO)CN2CCCC2)cc1 ZINC000588868637 359344883 /nfs/dbraw/zinc/34/48/83/359344883.db2.gz AMAVLUBIKPYKDQ-AWEZNQCLSA-N 0 3 273.336 0.745 20 30 CCEDHN CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@@H]2CN(C)C[C@H]21 ZINC000590010977 359417679 /nfs/dbraw/zinc/41/76/79/359417679.db2.gz DJXVMXSMEBMCHG-NFAWXSAZSA-N 0 3 278.400 0.677 20 30 CCEDHN N#Cc1ccc(C(=O)NC[C@]2(O)CN3CCC2CC3)nc1 ZINC000590365707 359444048 /nfs/dbraw/zinc/44/40/48/359444048.db2.gz QLQYURUWLWNRCJ-HNNXBMFYSA-N 0 3 286.335 0.140 20 30 CCEDHN CN(Cc1ccccc1)C[C@H](O)CN1CC(C#N)C1 ZINC000590777103 359522925 /nfs/dbraw/zinc/52/29/25/359522925.db2.gz JUMLUVQUNBDNRY-HNNXBMFYSA-N 0 3 259.353 0.935 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806315338 /nfs/dbraw/zinc/31/53/38/806315338.db2.gz YMLHHEFRPIJGEK-CHWSQXEVSA-N 0 3 293.411 0.751 20 30 CCEDHN CN(C)C1(C(=O)N(C)C[C@H]2CCN2CC#N)CCC1 ZINC001235354681 806412703 /nfs/dbraw/zinc/41/27/03/806412703.db2.gz NBJSSACQFYIIGV-GFCCVEGCSA-N 0 3 264.373 0.527 20 30 CCEDHN C=CCCC(=O)NCCCN(C)[C@@H]1CCCNC1=O ZINC001235451445 806423763 /nfs/dbraw/zinc/42/37/63/806423763.db2.gz ISJCYKLIJIIJOV-GFCCVEGCSA-N 0 3 267.373 0.669 20 30 CCEDHN N#CCc1ccccc1CN1CCC2(CC1)NC(=O)NC2=O ZINC001235525575 806445272 /nfs/dbraw/zinc/44/52/72/806445272.db2.gz OTBNOMSIFYUPGT-UHFFFAOYSA-N 0 3 298.346 0.927 20 30 CCEDHN C#CCNC[C@@H]1CCCN1C(=O)[C@]1(C)CCCS1(=O)=O ZINC001277957350 806476719 /nfs/dbraw/zinc/47/67/19/806476719.db2.gz VFYLXAPDFZJZKC-JSGCOSHPSA-N 0 3 298.408 0.168 20 30 CCEDHN C=CCN[C@H](CO)CNC(=O)c1ccnn1C1CCC1 ZINC001278086301 806654788 /nfs/dbraw/zinc/65/47/88/806654788.db2.gz WIXMJXGOSHFMAQ-NSHDSACASA-N 0 3 278.356 0.474 20 30 CCEDHN C=CCN[C@@H](CO)CNC(=O)c1c(Cl)n[nH]c1C1CC1 ZINC001278093469 806659847 /nfs/dbraw/zinc/65/98/47/806659847.db2.gz LCBDNMLLSYIGSF-SECBINFHSA-N 0 3 298.774 0.807 20 30 CCEDHN C=CCCC[C@@H](N)C(=O)NCCN1CCOC[C@H]1C ZINC001121998103 799116978 /nfs/dbraw/zinc/11/69/78/799116978.db2.gz PVBSUDQQXXWMFE-CHWSQXEVSA-N 0 3 269.389 0.507 20 30 CCEDHN C=CCCC[C@@H](N)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC001122025887 799126924 /nfs/dbraw/zinc/12/69/24/799126924.db2.gz KVITZQSRDSEWPT-WDEREUQCSA-N 0 3 253.346 0.394 20 30 CCEDHN C=CCNC(=O)[C@H](C)NCCNC(=O)C1CCC1 ZINC001122476343 799242904 /nfs/dbraw/zinc/24/29/04/799242904.db2.gz HSHUJUHGUYODQO-JTQLQIEISA-N 0 3 253.346 0.183 20 30 CCEDHN CCn1cc(CC(=O)C(C#N)C(=O)NC2CC2)cn1 ZINC001122502339 799251504 /nfs/dbraw/zinc/25/15/04/799251504.db2.gz LPUQRDKVGGTIEO-LLVKDONJSA-N 0 3 260.297 0.433 20 30 CCEDHN CCn1cc(CC(=O)C(C#N)C(=O)NC2CC2)cn1 ZINC001122502340 799251927 /nfs/dbraw/zinc/25/19/27/799251927.db2.gz LPUQRDKVGGTIEO-NSHDSACASA-N 0 3 260.297 0.433 20 30 CCEDHN N#CC(C(=O)C[C@@H]1CCC(=O)NC1)C(=O)N1CCCC1 ZINC001122534167 799257770 /nfs/dbraw/zinc/25/77/70/799257770.db2.gz UUVFIQPPAOBIHT-WDEREUQCSA-N 0 3 277.324 0.234 20 30 CCEDHN C=CCN1CC[C@@H](NCCNC(=O)CC2CC2)C1=O ZINC001122546469 799260605 /nfs/dbraw/zinc/26/06/05/799260605.db2.gz PXLUIVUMBWJJKN-GFCCVEGCSA-N 0 3 265.357 0.279 20 30 CCEDHN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001122626361 799277592 /nfs/dbraw/zinc/27/75/92/799277592.db2.gz YBRKSZSHMQIYIG-NXEZZACHSA-N 0 3 280.328 0.011 20 30 CCEDHN C=CCNC(=O)C(C#N)C(=O)[C@H](C)Sc1nncn1C ZINC001122708080 799289030 /nfs/dbraw/zinc/28/90/30/799289030.db2.gz RMHJTYSRXBCTSR-DTWKUNHWSA-N 0 3 293.352 0.307 20 30 CCEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)/C=C\c1ccco1 ZINC001122755344 799294209 /nfs/dbraw/zinc/29/42/09/799294209.db2.gz XNMOUURGMSWFSI-ZHRWSRJISA-N 0 3 289.335 0.137 20 30 CCEDHN C=CCN1CC[C@@H](NCCNC(=O)CC(C)C)C1=O ZINC001122795323 799297083 /nfs/dbraw/zinc/29/70/83/799297083.db2.gz UGPIBBZBENYLJI-GFCCVEGCSA-N 0 3 267.373 0.525 20 30 CCEDHN CCOCC(=O)NCCNCc1cccc(C#N)c1 ZINC001123013857 799335849 /nfs/dbraw/zinc/33/58/49/799335849.db2.gz CAUMDKLWTUFSJG-UHFFFAOYSA-N 0 3 261.325 0.801 20 30 CCEDHN N#Cc1cccc(CNCCNC(=O)Cn2cccn2)c1 ZINC001123516188 799425659 /nfs/dbraw/zinc/42/56/59/799425659.db2.gz WYIIZMWDVFZUPU-UHFFFAOYSA-N 0 3 283.335 0.661 20 30 CCEDHN C=CCNC(=O)[C@@H](C)NCCNC(=O)C(CC)CC ZINC001123827803 799481773 /nfs/dbraw/zinc/48/17/73/799481773.db2.gz NKIZTQGUXCYBQY-LLVKDONJSA-N 0 3 269.389 0.819 20 30 CCEDHN C=C(C)CN(CC)C(=O)CNCCNC(=O)[C@H](C)OC ZINC001124274129 799587210 /nfs/dbraw/zinc/58/72/10/799587210.db2.gz WDSVSNGSBFHQAU-LBPRGKRZSA-N 0 3 285.388 0.152 20 30 CCEDHN C[C@@H](C#N)C(=O)NCCN[C@@H](C)C(=O)N1CCCCC1 ZINC001124908080 799645921 /nfs/dbraw/zinc/64/59/21/799645921.db2.gz CYZGGJNHIZKNQP-RYUDHWBXSA-N 0 3 280.372 0.253 20 30 CCEDHN C=CCOCCCC(=O)NCCNCC(=O)NCC1CC1 ZINC001125248359 799670182 /nfs/dbraw/zinc/67/01/82/799670182.db2.gz TYTQWYJXOBSJFO-UHFFFAOYSA-N 0 3 297.399 0.201 20 30 CCEDHN CCN(CCC#N)C(=O)CNCCNC(=O)/C=C\C1CC1 ZINC001125259731 799670584 /nfs/dbraw/zinc/67/05/84/799670584.db2.gz CCCHSYQVGCYZKX-SREVYHEPSA-N 0 3 292.383 0.421 20 30 CCEDHN C#CCCN1CCCO[C@H](CNC(=O)CCSC)C1 ZINC001149159071 799719237 /nfs/dbraw/zinc/71/92/37/799719237.db2.gz CLRBGVXUVOWUDJ-CYBMUJFWSA-N 0 3 284.425 0.970 20 30 CCEDHN Cc1[nH]c(=O)[nH]c(=O)c1CN1CCC2SC(=O)C=C2C1 ZINC001138465796 799731403 /nfs/dbraw/zinc/73/14/03/799731403.db2.gz SXRUFTZAFCPATG-SNVBAGLBSA-N 0 3 293.348 0.970 20 30 CCEDHN C[C@H]1[C@H](NCC(=O)NCC#N)CCN1C(=O)CC(C)(C)C ZINC001278220839 806777786 /nfs/dbraw/zinc/77/77/86/806777786.db2.gz JTIOCSPYRBUCMG-NWDGAFQWSA-N 0 3 294.399 0.641 20 30 CCEDHN CCC(CC)C(=O)N1CC[C@H](NCC(=O)NCC#N)[C@H]1C ZINC001278222064 806779434 /nfs/dbraw/zinc/77/94/34/806779434.db2.gz WRPHZSCFQIJLHD-YPMHNXCESA-N 0 3 294.399 0.641 20 30 CCEDHN C=CCN(C)CCN(CC)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001139866059 799850932 /nfs/dbraw/zinc/85/09/32/799850932.db2.gz XTGFOKFINAFPGC-LBPRGKRZSA-N 0 3 267.373 0.431 20 30 CCEDHN C=CCCC(=O)N1CC[C@@H](NCC(=O)NCC#N)[C@H]1C ZINC001278232514 806783365 /nfs/dbraw/zinc/78/33/65/806783365.db2.gz JJXLDVGHFTVQTA-VXGBXAGGSA-N 0 3 278.356 0.171 20 30 CCEDHN C=CCOC(=O)[C@@H]([N-]S(=O)(=O)CC[NH3+])[C@@H](C)CC ZINC001238457783 806786095 /nfs/dbraw/zinc/78/60/95/806786095.db2.gz YYAMYOQANVDIBI-UWVGGRQHSA-N 0 3 278.374 0.008 20 30 CCEDHN CN1CCN(CCC(=O)N[C@H]2CC[C@H](C#N)CC2)CC1 ZINC001143236607 800213503 /nfs/dbraw/zinc/21/35/03/800213503.db2.gz NINMRUBRBFQJGI-HDJSIYSDSA-N 0 3 278.400 0.822 20 30 CCEDHN C#CCCN1CCCO[C@@H](CNC(=O)COCC2CC2)C1 ZINC001149250139 800238899 /nfs/dbraw/zinc/23/88/99/800238899.db2.gz ZVUIDUXKUNTJBD-HNNXBMFYSA-N 0 3 294.395 0.643 20 30 CCEDHN C#CCNCCNC(=O)c1sc(COC)nc1C ZINC001149294450 800244180 /nfs/dbraw/zinc/24/41/80/800244180.db2.gz SAXTWDOZOCYMMB-UHFFFAOYSA-N 0 3 267.354 0.551 20 30 CCEDHN C#CCNCCNC(=O)c1cnn2c1C[C@H](C)CC2 ZINC001149345134 800251064 /nfs/dbraw/zinc/25/10/64/800251064.db2.gz OFPQDFGZXWZYPL-LLVKDONJSA-N 0 3 260.341 0.418 20 30 CCEDHN C#CCCCCC(=O)NC[C@H]1CN(C[C@H](C)O)CCCO1 ZINC001149580346 800278730 /nfs/dbraw/zinc/27/87/30/800278730.db2.gz SUJHHGUXBHCCRO-GJZGRUSLSA-N 0 3 296.411 0.768 20 30 CCEDHN CCc1ccc(C(=O)NCCNCC(=O)NCC#N)cc1 ZINC001149661439 800288108 /nfs/dbraw/zinc/28/81/08/800288108.db2.gz FRWFWAUVWHJLKG-UHFFFAOYSA-N 0 3 288.351 0.208 20 30 CCEDHN CC(C)(C)C#CC(=O)NC[C@H]1CN(CCCO)CCCO1 ZINC001149686951 800289743 /nfs/dbraw/zinc/28/97/43/800289743.db2.gz JZEWIZNPXRCGCI-AWEZNQCLSA-N 0 3 296.411 0.625 20 30 CCEDHN COC[C@@H](C)N1CCCO[C@H](CNC(=O)C#CC2CC2)C1 ZINC001149702176 800292982 /nfs/dbraw/zinc/29/29/82/800292982.db2.gz YZKBHQIDVAONQC-UKRRQHHQSA-N 0 3 294.395 0.642 20 30 CCEDHN COc1ccc(C#N)c(S(=O)(=O)N2C[C@@H](F)[C@@H](N)C2)c1 ZINC001238920347 806820994 /nfs/dbraw/zinc/82/09/94/806820994.db2.gz BAZWUIILUPBVIK-MNOVXSKESA-N 0 3 299.327 0.237 20 30 CCEDHN CC#CCCCC(=O)NC[C@@H]1CN(C[C@H](C)O)CCCO1 ZINC001150164944 800320202 /nfs/dbraw/zinc/32/02/02/800320202.db2.gz FCAYRPSZCKFJID-LSDHHAIUSA-N 0 3 296.411 0.768 20 30 CCEDHN C#CCCN1CCCO[C@H](CNC(=O)C[C@@H](C)COC)C1 ZINC001150526448 800344989 /nfs/dbraw/zinc/34/49/89/800344989.db2.gz JKYAEDHZAHZUHJ-HUUCEWRRSA-N 0 3 296.411 0.889 20 30 CCEDHN C=CCO[C@H](C)C(=O)NC[C@H]1CN(CC)CCCO1 ZINC001150811256 800369204 /nfs/dbraw/zinc/36/92/04/800369204.db2.gz ORAQDYPWEXADJQ-OLZOCXBDSA-N 0 3 270.373 0.805 20 30 CCEDHN CC#CCNCCNC(=O)CNC(=O)CC(C)(C)C ZINC001151477299 800429472 /nfs/dbraw/zinc/42/94/72/800429472.db2.gz ZKNIOKSOKPEOQS-UHFFFAOYSA-N 0 3 267.373 0.268 20 30 CCEDHN CC#CCNCCNC(=O)c1cnc2n[nH]c(C)c2c1 ZINC001151114714 800401526 /nfs/dbraw/zinc/40/15/26/800401526.db2.gz PIWOGMRNUKQZJJ-UHFFFAOYSA-N 0 3 271.324 0.609 20 30 CCEDHN CC#CCNCCNC(=O)[C@H]1Cc2cccc(F)c2O1 ZINC001151699867 800447835 /nfs/dbraw/zinc/44/78/35/800447835.db2.gz CYMDEXUHCLDJBF-CYBMUJFWSA-N 0 3 276.311 0.858 20 30 CCEDHN C#CCN(CC)[C@H](C)CNC(=O)Cn1cc(C)cn1 ZINC001152235271 800504272 /nfs/dbraw/zinc/50/42/72/800504272.db2.gz XPWKUVUYUYOSJT-CYBMUJFWSA-N 0 3 262.357 0.651 20 30 CCEDHN CCN(CC#CCOC)[C@H](C)CNC(=O)COC(C)C ZINC001152303129 800507932 /nfs/dbraw/zinc/50/79/32/800507932.db2.gz OBSGVJJDFHMAHQ-CQSZACIVSA-N 0 3 284.400 0.888 20 30 CCEDHN C=CCCC(=O)NC[C@@H](C)N(CC)CCN1CCNC1=O ZINC001152313436 800509278 /nfs/dbraw/zinc/50/92/78/800509278.db2.gz LOJNATMYUGRNIX-CYBMUJFWSA-N 0 3 296.415 0.804 20 30 CCEDHN CC#CCN(CC)[C@H](C)CNC(=O)[C@H]1CCC(=O)N1 ZINC001152412523 800519061 /nfs/dbraw/zinc/51/90/61/800519061.db2.gz BAZMPHYPAFPHOP-VXGBXAGGSA-N 0 3 265.357 0.115 20 30 CCEDHN C#CCN(CC)[C@H](C)CNC(=O)COCCOC ZINC001152419754 800519937 /nfs/dbraw/zinc/51/99/37/800519937.db2.gz FZMKAQYNTDGLIA-GFCCVEGCSA-N 0 3 256.346 0.109 20 30 CCEDHN COCC#CCNCCNC(=O)[C@H](C)C[C@H]1CCCO1 ZINC001153023803 800582881 /nfs/dbraw/zinc/58/28/81/800582881.db2.gz IEGVRDFHSPMLTJ-ZIAGYGMSSA-N 0 3 282.384 0.547 20 30 CCEDHN C=CCCOCC(=O)NCCNCC(=O)NC(C)(C)CC ZINC001153085456 800594878 /nfs/dbraw/zinc/59/48/78/800594878.db2.gz BFTJJKHHKUHYBT-UHFFFAOYSA-N 0 3 299.415 0.590 20 30 CCEDHN COCC#CCNCCNC(=O)CCCOC(C)C ZINC001153449682 800632035 /nfs/dbraw/zinc/63/20/35/800632035.db2.gz IPIBPNYKZYVHCH-UHFFFAOYSA-N 0 3 270.373 0.547 20 30 CCEDHN CC#CCNCCNC(=O)[C@@H](C(C)C)N1CCCC1=O ZINC001153402714 800629158 /nfs/dbraw/zinc/62/91/58/800629158.db2.gz NJKFTOVPFNEFKI-CQSZACIVSA-N 0 3 279.384 0.363 20 30 CCEDHN C#CCNCCNC(=O)[C@]1(C)OCCc2ccccc21 ZINC001153468533 800632693 /nfs/dbraw/zinc/63/26/93/800632693.db2.gz XKPPOJBELFDEKD-MRXNPFEDSA-N 0 3 272.348 0.814 20 30 CCEDHN C=CCNC(=O)[C@@H](C)NCCNC(=O)CCCOC(C)C ZINC001153473815 800634347 /nfs/dbraw/zinc/63/43/47/800634347.db2.gz UVPZYZBRCOWULA-CYBMUJFWSA-N 0 3 299.415 0.588 20 30 CCEDHN O=C(Cn1ccnc1)NCCNCC#Cc1ccccc1 ZINC001153487762 800634373 /nfs/dbraw/zinc/63/43/73/800634373.db2.gz NMLTXIPUSCWDSK-UHFFFAOYSA-N 0 3 282.347 0.641 20 30 CCEDHN C#CCN(CC)[C@H](C)CNC(=O)[C@H](C)NC(=O)CC ZINC001153549459 800639499 /nfs/dbraw/zinc/63/94/99/800639499.db2.gz VBWKPXPWCVCCEF-NEPJUHHUSA-N 0 3 267.373 0.361 20 30 CCEDHN 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ZINC001009349024 625811373 /nfs/dbraw/zinc/81/13/73/625811373.db2.gz XYJYTIFJTLFNIB-LBPRGKRZSA-N 0 3 285.351 0.880 20 30 CCEDHN C=C(C)CN1CCC[C@H](NC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001009592176 625860876 /nfs/dbraw/zinc/86/08/76/625860876.db2.gz GXFDIEGVTYKUPE-GJZGRUSLSA-N 0 3 295.427 0.864 20 30 CCEDHN C#CCN(C)[C@H]1CCCN(C(=O)CC(C)(C)O)C1 ZINC001027393319 625866893 /nfs/dbraw/zinc/86/68/93/625866893.db2.gz IMLJLNUOWDOHJX-LBPRGKRZSA-N 0 3 252.358 0.703 20 30 CCEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cnnn2CC)C1 ZINC001027402586 625870142 /nfs/dbraw/zinc/87/01/42/625870142.db2.gz RFDAJIZNHHCGGT-LBPRGKRZSA-N 0 3 275.356 0.468 20 30 CCEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC)C2)C1 ZINC001027433076 625879251 /nfs/dbraw/zinc/87/92/51/625879251.db2.gz RFRNKLIVXVSLGB-UONOGXRCSA-N 0 3 291.395 0.411 20 30 CCEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2c(C)ncn2C)C1 ZINC001027452582 625891017 /nfs/dbraw/zinc/89/10/17/625891017.db2.gz RDDIXMYSRLPSPP-CYBMUJFWSA-N 0 3 274.368 0.898 20 30 CCEDHN C#CCN(C)[C@H]1CCCN(C(=O)C[C@@H]2CCCC(=O)N2)C1 ZINC001027487157 625912092 /nfs/dbraw/zinc/91/20/92/625912092.db2.gz XUHVMLNPOSWDIJ-KBPBESRZSA-N 0 3 291.395 0.601 20 30 CCEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cnc3nccn3c2)C1 ZINC001027492345 625917658 /nfs/dbraw/zinc/91/76/58/625917658.db2.gz MRAZXMKKJCDLCH-CQSZACIVSA-N 0 3 297.362 0.899 20 30 CCEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001027559741 630752088 /nfs/dbraw/zinc/75/20/88/630752088.db2.gz FMQARXPLMZNFKG-WFASDCNBSA-N 0 3 277.368 0.211 20 30 CCEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2n[nH]cc2F)C1 ZINC001027567962 630757617 /nfs/dbraw/zinc/75/76/17/630757617.db2.gz YUHSRBUXZBQYPT-SNVBAGLBSA-N 0 3 264.304 0.718 20 30 CCEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N(C)C2)C1 ZINC001027695452 630856757 /nfs/dbraw/zinc/85/67/57/630856757.db2.gz VOJVVOAFYLAYJI-UONOGXRCSA-N 0 3 291.395 0.411 20 30 CCEDHN C#CCN(C)[C@@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC001027702033 630859159 /nfs/dbraw/zinc/85/91/59/630859159.db2.gz QSMVIUIINFMAKR-CYBMUJFWSA-N 0 3 260.341 0.439 20 30 CCEDHN N#CCN1C[C@@H]2CC[C@H](NC(=O)c3[nH]ncc3F)C[C@@H]2C1 ZINC000980154398 630995047 /nfs/dbraw/zinc/99/50/47/630995047.db2.gz XVCCGYWYRVIWRK-AXFHLTTASA-N 0 3 291.330 0.903 20 30 CCEDHN N#CCN1CCCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000982036515 631369071 /nfs/dbraw/zinc/36/90/71/631369071.db2.gz JOOUZJFHDLSPAY-UHFFFAOYSA-N 0 3 273.340 0.400 20 30 CCEDHN C[C@H](C#N)OCCN1CCC([C@@H](F)C(N)=O)CC1 ZINC000879044027 631703186 /nfs/dbraw/zinc/70/31/86/631703186.db2.gz ODNQCRDGTNEJCI-MWLCHTKSSA-N 0 3 257.309 0.450 20 30 CCEDHN C#CCCN1CCC[C@@H](NC(=O)C2CN(C(C)=O)C2)C1 ZINC001007222673 650028698 /nfs/dbraw/zinc/02/86/98/650028698.db2.gz UERFOXUIQNUPJJ-CQSZACIVSA-N 0 3 277.368 0.069 20 30 CCEDHN Cn1ncc(C#N)c1NC[C@@H]1CCN1C1CCOCC1 ZINC000896525152 632265995 /nfs/dbraw/zinc/26/59/95/632265995.db2.gz YKUUOCKLWHYSHK-ZDUSSCGKSA-N 0 3 275.356 0.957 20 30 CCEDHN C[C@H]1COC[C@H]1NCc1cnc2c(C#N)cnn2c1 ZINC000896736886 632319152 /nfs/dbraw/zinc/31/91/52/632319152.db2.gz MBALVKCOJSQUMV-JOYOIKCWSA-N 0 3 257.297 0.725 20 30 CCEDHN C#CCCN1CCC[C@@H](NC(=O)C[C@@H]2COC(=O)C2)C1 ZINC001007110851 650065085 /nfs/dbraw/zinc/06/50/85/650065085.db2.gz INDPFTXUPPRJLL-QWHCGFSZSA-N 0 3 278.352 0.544 20 30 CCEDHN Cn1ncc(C#N)c1N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000897218481 632420506 /nfs/dbraw/zinc/42/05/06/632420506.db2.gz DEUBWRPTBGTBPY-STQMWFEESA-N 0 3 275.356 0.327 20 30 CCEDHN N#Cc1cc(C(=O)N[C@@H]2CCCN(CCCO)C2)c[nH]1 ZINC001007165257 650068844 /nfs/dbraw/zinc/06/88/44/650068844.db2.gz QIFNRKIPRZKJJC-GFCCVEGCSA-N 0 3 276.340 0.463 20 30 CCEDHN C#CCCN1CCC[C@@H](NC(=O)Cc2cn(C)nc2C)C1 ZINC001007512451 650081383 /nfs/dbraw/zinc/08/13/83/650081383.db2.gz DFEILPDVYOMOCO-OAHLLOKOSA-N 0 3 288.395 0.875 20 30 CCEDHN C[C@H]1[C@@H](NCC(=O)N2CCC2)CCN1C(=O)C#CC1CC1 ZINC000986275701 632737599 /nfs/dbraw/zinc/73/75/99/632737599.db2.gz HCGJCEBYSIGMLY-JSGCOSHPSA-N 0 3 289.379 0.211 20 30 CCEDHN C[C@H]1[C@@H](NCC#N)CCN1C(=O)CN(C)C1CCC1 ZINC000986358238 632746585 /nfs/dbraw/zinc/74/65/85/632746585.db2.gz XMCDHWOMZUYISG-AAEUAGOBSA-N 0 3 264.373 0.573 20 30 CCEDHN C#CC[NH2+][C@H]1CCN(C(=O)c2cnc[n-]c2=O)[C@H]1C ZINC000986410908 632753403 /nfs/dbraw/zinc/75/34/03/632753403.db2.gz YKRWSQKFRACOJA-ONGXEEELSA-N 0 3 260.297 0.008 20 30 CCEDHN C[C@H]1[C@H](NCc2cccc(C#N)c2)CCN1C(=O)C(N)=O ZINC000986781634 632797361 /nfs/dbraw/zinc/79/73/61/632797361.db2.gz RIKOUPKIGGTMIT-GXFFZTMASA-N 0 3 286.335 0.123 20 30 CCEDHN C=C(C)CN1CCC[C@@H](NC(=O)[C@H]2CCNC2=O)C1 ZINC001008180266 650104195 /nfs/dbraw/zinc/10/41/95/650104195.db2.gz YVGJJGWDCBGGPR-NEPJUHHUSA-N 0 3 265.357 0.279 20 30 CCEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2n[nH]c(C)c2C)C1 ZINC000988396448 633009099 /nfs/dbraw/zinc/00/90/99/633009099.db2.gz QKOPHSSBSRBGAC-CABZTGNLSA-N 0 3 260.341 0.852 20 30 CCEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cnc(N(C)C)cn2)C1 ZINC000988847464 633121098 /nfs/dbraw/zinc/12/10/98/633121098.db2.gz YWKOYKNXPOJPGY-NEPJUHHUSA-N 0 3 287.367 0.368 20 30 CCEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)Cc2cncs2)C1 ZINC000988993451 633132578 /nfs/dbraw/zinc/13/25/78/633132578.db2.gz FHVQQFALHNADIX-QWRGUYRKSA-N 0 3 263.366 0.898 20 30 CCEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)Cc2ncccc2F)C1 ZINC000989361814 633199592 /nfs/dbraw/zinc/19/95/92/633199592.db2.gz MLRWAFSIOVOTIF-NEPJUHHUSA-N 0 3 275.327 0.975 20 30 CCEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccc3[nH]c(=O)[nH]c3n2)C1 ZINC000989365593 633201812 /nfs/dbraw/zinc/20/18/12/633201812.db2.gz RRJHNMCKUFWBCW-UWVGGRQHSA-N 0 3 299.334 0.489 20 30 CCEDHN N#CC1(CN2C(=O)N[C@@H](CN3CCCCC3)C2=O)CC1 ZINC000925318159 633224927 /nfs/dbraw/zinc/22/49/27/633224927.db2.gz DBKTXZNDCBTUTG-NSHDSACASA-N 0 3 276.340 0.696 20 30 CCEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2nccn3ccnc23)C1 ZINC000989455312 633280913 /nfs/dbraw/zinc/28/09/13/633280913.db2.gz YLZXDUKADBODGE-VXGBXAGGSA-N 0 3 283.335 0.555 20 30 CCEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cc3ncccn3n2)C1 ZINC000989579552 633332279 /nfs/dbraw/zinc/33/22/79/633332279.db2.gz IHASWTXNBQXHIX-RYUDHWBXSA-N 0 3 283.335 0.555 20 30 CCEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)CCc2ncccn2)C1 ZINC000989580501 633332324 /nfs/dbraw/zinc/33/23/24/633332324.db2.gz NVHMDCAPIIUODS-QWHCGFSZSA-N 0 3 272.352 0.621 20 30 CCEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cccn(C)c2=O)C1 ZINC000989692789 633346106 /nfs/dbraw/zinc/34/61/06/633346106.db2.gz GNTLFVCXZABNDD-NWDGAFQWSA-N 0 3 273.336 0.211 20 30 CCEDHN C#Cc1ccccc1CC(=O)N1C[C@H](NCC(N)=O)C[C@@H]1C ZINC000989728176 633349526 /nfs/dbraw/zinc/34/95/26/633349526.db2.gz YXNFCBUTCHJPEZ-SWLSCSKDSA-N 0 3 299.374 0.275 20 30 CCEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(C(N)=O)cc2)C1 ZINC000989778171 633353327 /nfs/dbraw/zinc/35/33/27/633353327.db2.gz AHZHBONEYHBFCV-SMDDNHRTSA-N 0 3 285.347 0.611 20 30 CCEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)Cc2ccc(C(N)=O)cc2)C1 ZINC000989842656 633365238 /nfs/dbraw/zinc/36/52/38/633365238.db2.gz VJZRZEUQGWACJK-WFASDCNBSA-N 0 3 299.374 0.540 20 30 CCEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cccc(C(N)=O)n2)C1 ZINC000989842286 633365411 /nfs/dbraw/zinc/36/54/11/633365411.db2.gz RVEBQEUKSNVVRS-MNOVXSKESA-N 0 3 286.335 0.006 20 30 CCEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cnc(OCC)cn2)C1 ZINC000989864054 633369906 /nfs/dbraw/zinc/36/99/06/633369906.db2.gz PFGRBOZBFFVOLG-NEPJUHHUSA-N 0 3 288.351 0.701 20 30 CCEDHN C#CCN1CC[C@@]2(NC(=O)Cc3ccnn3C)CCC[C@H]12 ZINC000990454085 633536592 /nfs/dbraw/zinc/53/65/92/633536592.db2.gz MXXJLLDXBPPSGE-HOCLYGCPSA-N 0 3 286.379 0.709 20 30 CCEDHN C#CCCN1CCC[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001008857665 650129780 /nfs/dbraw/zinc/12/97/80/650129780.db2.gz XDWCFYGHMMYFFT-QWHCGFSZSA-N 0 3 277.368 0.259 20 30 CCEDHN C#CCCN1CCC[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001008986474 650134777 /nfs/dbraw/zinc/13/47/77/650134777.db2.gz PFLCDTBWYOPZSA-GFCCVEGCSA-N 0 3 260.341 0.556 20 30 CCEDHN C[C@H](N[C@@H]1COC[C@H]1C)C(=O)NC1(C#N)CCC1 ZINC000905868117 634916185 /nfs/dbraw/zinc/91/61/85/634916185.db2.gz PVMLMAOSEPFTIM-OUAUKWLOSA-N 0 3 251.330 0.562 20 30 CCEDHN Cc1cc(C#N)cc(C)c1CC(=O)N[C@@H](CO)CN(C)C ZINC000908202726 635314399 /nfs/dbraw/zinc/31/43/99/635314399.db2.gz WVFLCTVWGQXTIV-CQSZACIVSA-N 0 3 289.379 0.756 20 30 CCEDHN N#Cc1ccncc1C(=O)N[C@@H](CO)CN1CCCC1 ZINC000908205469 635317296 /nfs/dbraw/zinc/31/72/96/635317296.db2.gz VLYZYWJCCJGUDT-GFCCVEGCSA-N 0 3 274.324 0.140 20 30 CCEDHN C#C[C@](C)(CC)NC(=O)c1ccnn1CCN(C)C ZINC000908529654 635404329 /nfs/dbraw/zinc/40/43/29/635404329.db2.gz PGKRIKHBPQGXAW-CQSZACIVSA-N 0 3 262.357 0.976 20 30 CCEDHN C#CCCN1CC[C@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC001010417816 650222061 /nfs/dbraw/zinc/22/20/61/650222061.db2.gz UAMHBMWHOHUPAT-STQMWFEESA-N 0 3 250.342 0.627 20 30 CCEDHN C#CCCN1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001010654012 650249859 /nfs/dbraw/zinc/24/98/59/650249859.db2.gz FDXUCSOPSOZAJH-LBPRGKRZSA-N 0 3 256.309 0.714 20 30 CCEDHN CC[C@H](C(=O)N1CCN(C(=O)[C@H](C)C#N)CC1)N(C)C ZINC001011321761 650289206 /nfs/dbraw/zinc/28/92/06/650289206.db2.gz ZQDLXWBSPJWDQU-VXGBXAGGSA-N 0 3 280.372 0.157 20 30 CCEDHN C#CCCN1CC[C@H](NC(=O)C[C@H]2CCCC(=O)N2)C1 ZINC001015199397 637433602 /nfs/dbraw/zinc/43/36/02/637433602.db2.gz BZYZGWSIEZKOCA-OLZOCXBDSA-N 0 3 277.368 0.259 20 30 CCEDHN COc1cc(OC)c(C=NNC(=N)N)c(OC)c1 ZINC000252447740 638398638 /nfs/dbraw/zinc/39/86/38/638398638.db2.gz OJKUNYWKLHFXDQ-UHFFFAOYSA-N 0 3 252.274 0.529 20 30 CCEDHN C=CC[NH2+][C@@H]1CN(C(=O)c2cnc[n-]c2=O)CC1(C)C ZINC000995942350 638805433 /nfs/dbraw/zinc/80/54/33/638805433.db2.gz MUWFRMREGVNSDG-LLVKDONJSA-N 0 3 276.340 0.808 20 30 CCEDHN C#CCN[C@@H]1CN(C(=O)c2cn(C)ccc2=O)CC1(C)C ZINC000996037909 638807913 /nfs/dbraw/zinc/80/79/13/638807913.db2.gz BGGBLXAXLQJDMB-CQSZACIVSA-N 0 3 287.363 0.459 20 30 CCEDHN C#Cc1ccc(C(=O)N2C[C@@H](NCC(N)=O)C(C)(C)C2)cc1 ZINC000996115764 638809411 /nfs/dbraw/zinc/80/94/11/638809411.db2.gz PDYRZKADODMKMB-CQSZACIVSA-N 0 3 299.374 0.593 20 30 CCEDHN C#CCN[C@H]1CN(C(=O)C(=O)N2CC[C@@H](C)C2)CC1(C)C ZINC000996499006 638821003 /nfs/dbraw/zinc/82/10/03/638821003.db2.gz YNMBTSBVEYVJIP-OLZOCXBDSA-N 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330226835 /nfs/dbraw/zinc/22/68/35/330226835.db2.gz XENXXJAJPULKFD-WDEREUQCSA-N 0 3 266.345 0.135 20 30 CCEDHN CCN(CC)C(=O)[C@H]1CCCN1C(=O)[C@@H](N)CCCC#N ZINC000424106880 330234605 /nfs/dbraw/zinc/23/46/05/330234605.db2.gz NBMDJZCJWNODPC-QWHCGFSZSA-N 0 3 294.399 0.867 20 30 CCEDHN CCC(=O)N[C@@H]1CCCN(C(=O)[C@H](N)CCCC#N)C1 ZINC000424115067 330243163 /nfs/dbraw/zinc/24/31/63/330243163.db2.gz TVJIYXYLIZZFAI-VXGBXAGGSA-N 0 3 280.372 0.525 20 30 CCEDHN COC(=O)c1ccc(CNC(=O)[C@@H](N)CCCC#N)o1 ZINC000424121907 330253037 /nfs/dbraw/zinc/25/30/37/330253037.db2.gz IPWQKWRNBOEISN-JTQLQIEISA-N 0 3 279.296 0.704 20 30 CCEDHN C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@@H](N)CCCC#N)CC1=O ZINC000424122191 330254234 /nfs/dbraw/zinc/25/42/34/330254234.db2.gz JRPOZWUBBGNWNI-WYUUTHIRSA-N 0 3 278.356 0.133 20 30 CCEDHN CC(C)(C)N1C[C@@H](NC(=O)[C@@H](N)CCCC#N)CC1=O ZINC000424157932 330305193 /nfs/dbraw/zinc/30/51/93/330305193.db2.gz SUPLTPNCNOSFDR-QWRGUYRKSA-N 0 3 280.372 0.523 20 30 CCEDHN 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CCEDHN COC[C@@H](C)NC(=[NH2+])NCc1ccc([O-])c(F)c1 ZINC000267433884 389371161 /nfs/dbraw/zinc/37/11/61/389371161.db2.gz NFVMBNPJAOFOBT-MRVPVSSYSA-N 0 3 255.293 0.971 20 30 CCEDHN C=CCNC(=O)NC(=O)CN[C@H](COCC)C(C)C ZINC000348475630 389379391 /nfs/dbraw/zinc/37/93/91/389379391.db2.gz DNVAWEICQYZKRL-LLVKDONJSA-N 0 3 271.361 0.649 20 30 CCEDHN C[C@H](C#N)CN(C)C(=O)C(=O)N(C)CCN1CCCC1 ZINC000410432524 389380568 /nfs/dbraw/zinc/38/05/68/389380568.db2.gz JYMNFGLBLCJBGX-GFCCVEGCSA-N 0 3 280.372 0.159 20 30 CCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCC[C@H]1OC(F)F ZINC000348519795 389380817 /nfs/dbraw/zinc/38/08/17/389380817.db2.gz GBJBRNBMLSPJBO-RKDXNWHRSA-N 0 3 291.298 0.748 20 30 CCEDHN C=CCNC(=O)NC(=O)CN[C@H]1CCC[C@H]1OC(F)F ZINC000348519793 389381310 /nfs/dbraw/zinc/38/13/10/389381310.db2.gz GBJBRNBMLSPJBO-DTWKUNHWSA-N 0 3 291.298 0.748 20 30 CCEDHN N#Cc1ccc(CC(C#N)C(=O)NCCn2cncn2)cc1 ZINC000349497968 389417473 /nfs/dbraw/zinc/41/74/73/389417473.db2.gz ZINJXAFNVDBDPX-AWEZNQCLSA-N 0 3 294.318 0.648 20 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CCEDHN C=CCOCCN1CCN(C)C[C@@H](C(=O)OC)C1 ZINC000411922476 389464757 /nfs/dbraw/zinc/46/47/57/389464757.db2.gz UIMYFHJDAQYJCM-GFCCVEGCSA-N 0 3 256.346 0.226 20 30 CCEDHN C=CCNC(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC000413038655 389482472 /nfs/dbraw/zinc/48/24/72/389482472.db2.gz UQEOQNPXSBIMOA-UHFFFAOYSA-N 0 3 296.415 0.268 20 30 CCEDHN Cc1n[nH]cc1CCCNC(=O)CCNC(=O)C(C)C#N ZINC000350090272 389486455 /nfs/dbraw/zinc/48/64/55/389486455.db2.gz SBRSEQFROVPWMC-JTQLQIEISA-N 0 3 291.355 0.433 20 30 CCEDHN C#CCN(CCC(=O)NC(=O)NCC(F)(F)F)C1CC1 ZINC000274159081 389491880 /nfs/dbraw/zinc/49/18/80/389491880.db2.gz LZYVZWCVUKUCBD-UHFFFAOYSA-N 0 3 291.273 0.862 20 30 CCEDHN C=C(C)CN1CCC(NC(=O)[C@@H]2COCCN2CC)CC1 ZINC000371424504 389432094 /nfs/dbraw/zinc/43/20/94/389432094.db2.gz OHDHFQPPVPABTQ-HNNXBMFYSA-N 0 3 295.427 0.864 20 30 CCEDHN N#CCCN(CCC#N)C(=O)CN[C@@H]1CCO[C@@H]1C1CC1 ZINC000372804475 389457260 /nfs/dbraw/zinc/45/72/60/389457260.db2.gz FFXKXBVJNXCQEC-UKRRQHHQSA-N 0 3 290.367 0.799 20 30 CCEDHN CC(C#N)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000335155072 389539156 /nfs/dbraw/zinc/53/91/56/389539156.db2.gz XKUSYANYQSEEGP-JTQLQIEISA-N 0 3 261.281 0.724 20 30 CCEDHN C#CCCCNC(=O)N1CCN([C@H]2CCCN(C)C2)CC1 ZINC000374091119 389544934 /nfs/dbraw/zinc/54/49/34/389544934.db2.gz HUZFHSYFZYWYRS-HNNXBMFYSA-N 0 3 292.427 0.821 20 30 CCEDHN C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](CO)CN1CCCCC1 ZINC000413796413 389558825 /nfs/dbraw/zinc/55/88/25/389558825.db2.gz GTAXGVCSQLLLPK-MJBXVCDLSA-N 0 3 282.384 0.541 20 30 CCEDHN Cc1[nH]c(C#N)cc1C(=O)N[C@@H](CO)CN1CCCCC1 ZINC000413799307 389559862 /nfs/dbraw/zinc/55/98/62/389559862.db2.gz NSXBHFDHZOVHHK-CYBMUJFWSA-N 0 3 290.367 0.771 20 30 CCEDHN C=CCN1CC[C@H](N2CCC[C@H](C(=O)NC)C2)C1=O ZINC000282021825 389646868 /nfs/dbraw/zinc/64/68/68/389646868.db2.gz PFLJAWNDDNIWAN-RYUDHWBXSA-N 0 3 265.357 0.231 20 30 CCEDHN C=CCC1(C(=O)NC[C@]2(O)CCN(C)C2)CCOCC1 ZINC000424789273 389632876 /nfs/dbraw/zinc/63/28/76/389632876.db2.gz WOKGESUAPOUDMN-OAHLLOKOSA-N 0 3 282.384 0.542 20 30 CCEDHN C=CCn1cc(CNC(=O)[C@@H](CC)N(C)C)nn1 ZINC000424905193 389635409 /nfs/dbraw/zinc/63/54/09/389635409.db2.gz AJNPCLJVCPUVDA-LLVKDONJSA-N 0 3 251.334 0.421 20 30 CCEDHN C[C@@H](CNC(=O)Cn1cnc(C#N)n1)N1CCC[C@@H](C)C1 ZINC000178411873 389605368 /nfs/dbraw/zinc/60/53/68/389605368.db2.gz YZJMPXFWPJQTKV-NEPJUHHUSA-N 0 3 290.371 0.386 20 30 CCEDHN C=CCN1CC[C@@H](N[C@H]2CCc3nc(C)nn3C2)C1=O ZINC000280919775 389605689 /nfs/dbraw/zinc/60/56/89/389605689.db2.gz DDNVVRCTXUQIBW-NWDGAFQWSA-N 0 3 275.356 0.278 20 30 CCEDHN C=CCC[C@H](O)C[NH+]1CCC(c2nc(=O)[n-][nH]2)CC1 ZINC000280970221 389605739 /nfs/dbraw/zinc/60/57/39/389605739.db2.gz KMQLEMRNEIUMQC-NSHDSACASA-N 0 3 266.345 0.605 20 30 CCEDHN CN(CCC#N)C(=O)CCN1CCC[C@H](n2ccnn2)C1 ZINC000425508437 389649690 /nfs/dbraw/zinc/64/96/90/389649690.db2.gz NSWMBHXVYREXNV-ZDUSSCGKSA-N 0 3 290.371 0.677 20 30 CCEDHN C=CCNC(=O)NC(=O)CN(C)CCCn1ccnc1 ZINC000181096810 389681390 /nfs/dbraw/zinc/68/13/90/389681390.db2.gz ILZDGNVXUWZJDM-UHFFFAOYSA-N 0 3 279.344 0.217 20 30 CCEDHN C=CCN1CC[C@H](N2CCC(c3nc[nH]n3)CC2)C1=O ZINC000375608164 389690941 /nfs/dbraw/zinc/69/09/41/389690941.db2.gz QGZMHRPZVJJFKO-LBPRGKRZSA-N 0 3 275.356 0.771 20 30 CCEDHN C=CCNC(=O)CNC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000181722442 389692416 /nfs/dbraw/zinc/69/24/16/389692416.db2.gz UKJUUWSCOCNVOE-ZDUSSCGKSA-N 0 3 295.383 0.048 20 30 CCEDHN C[C@@H]1CN(C[C@H](O)COc2ccccc2C#N)C[C@@H]1O ZINC000388511660 389770110 /nfs/dbraw/zinc/77/01/10/389770110.db2.gz PDHORKKZZXNNTA-XBFCOCLRSA-N 0 3 276.336 0.611 20 30 CCEDHN COCC(COC)NC[C@H](O)COc1ccc(C#N)cc1 ZINC000388467624 389770160 /nfs/dbraw/zinc/77/01/60/389770160.db2.gz KLZHKKRKCNTZBO-AWEZNQCLSA-N 0 3 294.351 0.549 20 30 CCEDHN CCN1CCN(CCCNC(=O)c2ccc(C#N)o2)CC1 ZINC000429852796 389773080 /nfs/dbraw/zinc/77/30/80/389773080.db2.gz PYYLFHYYOYBDHI-UHFFFAOYSA-N 0 3 290.367 0.909 20 30 CCEDHN CC(C)N1C[C@@H](C)[C@@H](NS(=O)(=O)[C@@H](C)C#N)C1 ZINC000416411322 389739946 /nfs/dbraw/zinc/73/99/46/389739946.db2.gz JFILYEMYXXSVNL-VWYCJHECSA-N 0 3 259.375 0.547 20 30 CCEDHN CC(C)CN1CCC[C@@H]1CNS(=O)(=O)[C@@H](C)C#N ZINC000416445155 389744260 /nfs/dbraw/zinc/74/42/60/389744260.db2.gz KCLBVWMSEPHCOQ-NWDGAFQWSA-N 0 3 273.402 0.938 20 30 CCEDHN CCCN1CCC[C@H]1CNS(=O)(=O)[C@@H](C)C#N ZINC000416487472 389748178 /nfs/dbraw/zinc/74/81/78/389748178.db2.gz LNPACEPTRKCMKS-QWRGUYRKSA-N 0 3 259.375 0.692 20 30 CCEDHN C[C@@H]1C[C@@H](N(C)S(=O)(=O)N(C)CCC#N)CCN1C ZINC000408234815 389836563 /nfs/dbraw/zinc/83/65/63/389836563.db2.gz HQLQVICQNVBZKN-NEPJUHHUSA-N 0 3 288.417 0.491 20 30 CCEDHN C=CCNC(=O)C(C#N)c1nnc2n1CCCCC2 ZINC000353068949 389845106 /nfs/dbraw/zinc/84/51/06/389845106.db2.gz DQUUOSFYUHXBGN-SNVBAGLBSA-N 0 3 259.313 0.914 20 30 CCEDHN C=C(C)COCCNC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000417882415 389860810 /nfs/dbraw/zinc/86/08/10/389860810.db2.gz GGIKIPVEVHUYHT-NEPJUHHUSA-N 0 3 255.362 0.971 20 30 CCEDHN CCN(CCNS(=O)(=O)N(C)CCC#N)C(C)C ZINC000444166064 389893708 /nfs/dbraw/zinc/89/37/08/389893708.db2.gz IGEFSKQYEVGTTD-UHFFFAOYSA-N 0 3 276.406 0.397 20 30 CCEDHN CCN(CCNS(=O)(=O)c1ccc(C#N)nc1)C(C)C ZINC000444175084 389895086 /nfs/dbraw/zinc/89/50/86/389895086.db2.gz YZSPKAMYFLGKGQ-UHFFFAOYSA-N 0 3 296.396 0.962 20 30 CCEDHN C=C(C)CN(CC)C(=O)CN[C@](C)(CCO)COC ZINC000444241780 389897567 /nfs/dbraw/zinc/89/75/67/389897567.db2.gz OMBVZUDRVBPMGF-CQSZACIVSA-N 0 3 272.389 0.788 20 30 CCEDHN C[C@@H](C[NH3+])C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000447244712 389948873 /nfs/dbraw/zinc/94/88/73/389948873.db2.gz DLCMFOGKASGRKC-QMMMGPOBSA-N 0 3 298.324 0.340 20 30 CCEDHN C[C@@H](N[C@@H]1CCOC1(C)C)C(=O)N(C)CCC#N ZINC000451235804 390001255 /nfs/dbraw/zinc/00/12/55/390001255.db2.gz LFDWUMDQXKPXEN-GHMZBOCLSA-N 0 3 253.346 0.904 20 30 CCEDHN CN(C)CCOCCNC(=O)NCc1ccc(C#N)cc1 ZINC000471642606 390077847 /nfs/dbraw/zinc/07/78/47/390077847.db2.gz LRUHJDVCKCGJNN-UHFFFAOYSA-N 0 3 290.367 0.936 20 30 CCEDHN N#Cc1ccc(CC(C#N)C(=O)NCCOCCO)cc1 ZINC000471699874 390079101 /nfs/dbraw/zinc/07/91/01/390079101.db2.gz DHQMMRKBYPGAJC-CQSZACIVSA-N 0 3 287.319 0.366 20 30 CCEDHN C#CCN1CCN(C(=O)CN[C@H]2CCC2(C)C)CC1 ZINC000491385379 390112821 /nfs/dbraw/zinc/11/28/21/390112821.db2.gz RHYDBGITNGGLPG-ZDUSSCGKSA-N 0 3 263.385 0.542 20 30 CCEDHN C#CCN(C)CCCNC(=O)N[C@@H]1CCOC1(C)C ZINC000491462769 390113663 /nfs/dbraw/zinc/11/36/63/390113663.db2.gz KHYKUXDBDIESDK-GFCCVEGCSA-N 0 3 267.373 0.808 20 30 CCEDHN C#C[C@H](CO)NCCC(=O)Nc1cc(F)cc(F)c1 ZINC000491745088 390116495 /nfs/dbraw/zinc/11/64/95/390116495.db2.gz JUPURBJJPXKGLL-LLVKDONJSA-N 0 3 268.263 0.877 20 30 CCEDHN C#CCN(C)CCCNC(=O)N[C@@H](C)[C@H]1CCOC1 ZINC000491806843 390116998 /nfs/dbraw/zinc/11/69/98/390116998.db2.gz RGIIAODTIPSOKI-STQMWFEESA-N 0 3 267.373 0.666 20 30 CCEDHN CC(C)(C#N)CNC(=O)NC[C@H]1CCCCN1CCO ZINC000458650603 390060967 /nfs/dbraw/zinc/06/09/67/390060967.db2.gz MLILAQOKUXAMGC-GFCCVEGCSA-N 0 3 282.388 0.682 20 30 CCEDHN CN1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 ZINC000579208815 390150968 /nfs/dbraw/zinc/15/09/68/390150968.db2.gz KAEHWAWNHABZBL-UXLLHSPISA-N 0 3 299.374 0.845 20 30 CCEDHN C[C@H](N[C@]1(C)CCO[C@@H]1C)C(=O)N(C)CCC#N ZINC000494281343 390162251 /nfs/dbraw/zinc/16/22/51/390162251.db2.gz DDSPFHHBGFOXOZ-DMDPSCGWSA-N 0 3 253.346 0.904 20 30 CCEDHN N#Cc1ccc(S(=O)(=O)CCN[C@H]2[C@@H]3COC[C@@H]32)cc1 ZINC000579344619 390163438 /nfs/dbraw/zinc/16/34/38/390163438.db2.gz JBKPYPHMBUTTRP-WDNDVIMCSA-N 0 3 292.360 0.566 20 30 CCEDHN C=CCNC(=O)[C@H](C)N1CCC(N2CCOC[C@H]2C)CC1 ZINC000582219624 390269984 /nfs/dbraw/zinc/26/99/84/390269984.db2.gz NHDKLHNWMSIWSN-KGLIPLIRSA-N 0 3 295.427 0.862 20 30 CCEDHN C[C@@H](CCC#N)N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000583266269 390278486 /nfs/dbraw/zinc/27/84/86/390278486.db2.gz FKKZSTAAENMOFA-JOYOIKCWSA-N 0 3 250.302 0.353 20 30 CCEDHN Cc1onc(CC(=O)N(C)C[C@H]2CCCN2C)c1C#N ZINC000583988287 390329763 /nfs/dbraw/zinc/32/97/63/390329763.db2.gz DARYUTWWWOCCOF-LLVKDONJSA-N 0 3 276.340 0.950 20 30 CCEDHN C[C@@H](C(=O)N(C)[C@@H]1CN2CCC1CC2)n1cnc(C#N)n1 ZINC000545983724 390339907 /nfs/dbraw/zinc/33/99/07/390339907.db2.gz 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0.212 20 30 CCEDHN C#CCN1CC[C@H]2[C@H](CCCN2C(=O)Cc2cc[nH]n2)C1 ZINC001021552071 624769979 /nfs/dbraw/zinc/76/99/79/624769979.db2.gz WTRJAYDUPMKXPX-HIFRSBDPSA-N 0 3 286.379 0.898 20 30 CCEDHN C#CCN1CC[C@H]2[C@@H](CCCN2C(=O)c2cnnn2C)C1 ZINC001021579397 624787341 /nfs/dbraw/zinc/78/73/41/624787341.db2.gz TWZACRWOKYMBIG-STQMWFEESA-N 0 3 287.367 0.375 20 30 CCEDHN C=CCN1CC[C@@H]2[C@@H](CCCN2C(=O)c2nc[nH]n2)C1 ZINC001021685131 624808693 /nfs/dbraw/zinc/80/86/93/624808693.db2.gz PHWOXJGQLHMCHS-NWDGAFQWSA-N 0 3 275.356 0.917 20 30 CCEDHN CC#CCN1CC[C@@H]2[C@H](CCCN2C(=O)c2nc[nH]n2)C1 ZINC001021691834 624810792 /nfs/dbraw/zinc/81/07/92/624810792.db2.gz DWYLOPWRASMJRI-CHWSQXEVSA-N 0 3 287.367 0.755 20 30 CCEDHN C[C@@H](C#N)C(=O)N1CC[C@H](N(C)CCN2CCCC2=O)C1 ZINC000971211582 624828441 /nfs/dbraw/zinc/82/84/41/624828441.db2.gz SKZNVEIKPMIVFD-STQMWFEESA-N 0 3 292.383 0.301 20 30 CCEDHN C[C@](CO)(Cc1ccc(F)cc1)NC[C@H](O)CC#N ZINC000933444359 624879792 /nfs/dbraw/zinc/87/97/92/624879792.db2.gz LOZOBBRRVLEKJX-ZIAGYGMSSA-N 0 3 266.316 0.983 20 30 CCEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@@H]2CCCNC2=O)C1 ZINC001022234185 624896744 /nfs/dbraw/zinc/89/67/44/624896744.db2.gz REQMCTXZVWFJMO-OUAUKWLOSA-N 0 3 285.775 0.502 20 30 CCEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C2CCOCC2)C1 ZINC001027265535 625789923 /nfs/dbraw/zinc/78/99/23/625789923.db2.gz HROSRQXUYVAUPR-CQSZACIVSA-N 0 3 264.369 0.969 20 30 CCEDHN C#CCN(C)[C@@H]1CCCN(C(=O)C2=COCCO2)C1 ZINC001027283860 625796923 /nfs/dbraw/zinc/79/69/23/625796923.db2.gz WLCYAMAUEGHFMH-GFCCVEGCSA-N 0 3 264.325 0.431 20 30 CCEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H]2CCCOC2)C1 ZINC001027323824 625829497 /nfs/dbraw/zinc/82/94/97/625829497.db2.gz IXURSYOZTRNVSZ-KBPBESRZSA-N 0 3 264.369 0.969 20 30 CCEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C1 ZINC001027415669 625874059 /nfs/dbraw/zinc/87/40/59/625874059.db2.gz OQMRYWCWQCBVAC-HZSPNIEDSA-N 0 3 291.395 0.457 20 30 CCEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@]2(CC)CCNC2=O)C1 ZINC001027449255 625888355 /nfs/dbraw/zinc/88/83/55/625888355.db2.gz VTEGOPAYSVYENF-CZUORRHYSA-N 0 3 291.395 0.459 20 30 CCEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cccc3ncnn32)C1 ZINC001027481322 625909692 /nfs/dbraw/zinc/90/96/92/625909692.db2.gz QKOCQFCBLRKZSU-CYBMUJFWSA-N 0 3 297.362 0.899 20 30 CCEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2ccnnc2C)C1 ZINC001027479853 625909730 /nfs/dbraw/zinc/90/97/30/625909730.db2.gz RXXBJALCOLYPQI-ZDUSSCGKSA-N 0 3 272.352 0.955 20 30 CCEDHN C[C@H](NC[C@H]1COCCN1C)c1cc(C#N)ccn1 ZINC000903070791 634534099 /nfs/dbraw/zinc/53/40/99/634534099.db2.gz XKMOYCODGGTNNL-AAEUAGOBSA-N 0 3 260.341 0.934 20 30 CCEDHN N#Cc1ccc([C@@H]2CN(C[C@@H]3CNCCO3)CCO2)cc1 ZINC000903823001 634658663 /nfs/dbraw/zinc/65/86/63/634658663.db2.gz BEYHUEKUWVZBDT-HOTGVXAUSA-N 0 3 287.363 0.920 20 30 CCEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cc(COC)on2)C1 ZINC001027604728 630796808 /nfs/dbraw/zinc/79/68/08/630796808.db2.gz KRKOBBVHTVMRGX-GFCCVEGCSA-N 0 3 291.351 0.991 20 30 CCEDHN C#CCN(C)[C@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 ZINC001027631785 630814952 /nfs/dbraw/zinc/81/49/52/630814952.db2.gz AJCVSFHKJGZFNH-LBPRGKRZSA-N 0 3 260.341 0.508 20 30 CCEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cn(CCC)nn2)C1 ZINC001027634342 630820368 /nfs/dbraw/zinc/82/03/68/630820368.db2.gz HYKOMRMNLQXTFF-CYBMUJFWSA-N 0 3 289.383 0.858 20 30 CCEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N(C)C2)C1 ZINC001027695453 630856543 /nfs/dbraw/zinc/85/65/43/630856543.db2.gz VOJVVOAFYLAYJI-ZIAGYGMSSA-N 0 3 291.395 0.411 20 30 CCEDHN C#CCCN1CCC[C@@H]1CNC(=O)c1cc[n+]([O-])cc1 ZINC001027742307 630889292 /nfs/dbraw/zinc/88/92/92/630889292.db2.gz RSGMEZARAJDVOA-CQSZACIVSA-N 0 3 273.336 0.538 20 30 CCEDHN Cc1[nH]cnc1CC(=O)N[C@@H]1CCC[C@@H](NCC#N)C1 ZINC000981488204 631283510 /nfs/dbraw/zinc/28/35/10/631283510.db2.gz VABNMAIJWKKGJR-VXGBXAGGSA-N 0 3 275.356 0.801 20 30 CCEDHN Cn1nccc1CN[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000968626851 650023870 /nfs/dbraw/zinc/02/38/70/650023870.db2.gz FUOZPQPAWJFVMX-CYBMUJFWSA-N 0 3 272.352 0.524 20 30 CCEDHN N#Cc1nccc(NC[C@H]2CCN2C2CCOCC2)n1 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COC[C@H](N)Cc1cn(Cc2ccc(F)c(C#N)c2)nn1 ZINC000603202580 362998046 /nfs/dbraw/zinc/99/80/46/362998046.db2.gz YFAKKOFPIIFHSA-GFCCVEGCSA-N 0 3 289.314 0.853 20 30 CCEDHN C[C@@](O)(CNCc1cc(C#N)cs1)CN1CCOCC1 ZINC000177705846 351211089 /nfs/dbraw/zinc/21/10/89/351211089.db2.gz AKROCIBVADOEHC-CQSZACIVSA-N 0 3 295.408 0.793 20 30 CCEDHN C=CCNC(=O)NC(=O)CN(C)CC1(N(C)C)CCC1 ZINC000186937242 351521851 /nfs/dbraw/zinc/52/18/51/351521851.db2.gz MDXCNIFPHZVQRV-UHFFFAOYSA-N 0 3 282.388 0.414 20 30 CCEDHN CCN(CCC#N)S(=O)(=O)N[C@@H]1CCC[C@H]1N(C)C ZINC000603314176 363062302 /nfs/dbraw/zinc/06/23/02/363062302.db2.gz ORBZQBAJWMDGJE-VXGBXAGGSA-N 0 3 288.417 0.539 20 30 CCEDHN Cn1cc(CN[C@H]2CCc3ncnn3C2)cc1C#N ZINC000190973430 351740419 /nfs/dbraw/zinc/74/04/19/351740419.db2.gz GNZXXQIGSWITOM-NSHDSACASA-N 0 3 256.313 0.593 20 30 CCEDHN COCCCN(C)CCNC(=O)c1ccnc(C#N)c1 ZINC000193352103 351824026 /nfs/dbraw/zinc/82/40/26/351824026.db2.gz DIFPSEKPRKNKOF-UHFFFAOYSA-N 0 3 276.340 0.651 20 30 CCEDHN COC[C@H](CO)NCc1ccc(C#N)c(OC)c1 ZINC000229193720 352088044 /nfs/dbraw/zinc/08/80/44/352088044.db2.gz ULOVECUSYAFUQS-LBPRGKRZSA-N 0 3 250.298 0.664 20 30 CCEDHN CCN(CC)C[C@H](C)NS(=O)(=O)c1cccnc1C#N ZINC000233458512 352150308 /nfs/dbraw/zinc/15/03/08/352150308.db2.gz XMGQEYKMIAQMJL-NSHDSACASA-N 0 3 296.396 0.962 20 30 CCEDHN COc1cc(CN2CC[C@@H](C(N)=O)C2)ccc1C#N ZINC000234993195 352179378 /nfs/dbraw/zinc/17/93/78/352179378.db2.gz DUDICXTZPRCDGS-GFCCVEGCSA-N 0 3 259.309 0.874 20 30 CCEDHN N#Cc1ncccc1S(=O)(=O)[N-][C@H](C[NH3+])C1CCCC1 ZINC000236284856 352193342 /nfs/dbraw/zinc/19/33/42/352193342.db2.gz SFBPLCUMMJJPKO-LLVKDONJSA-N 0 3 294.380 0.749 20 30 CCEDHN CN(C)CCNC(=O)c1ccc(NC(=O)CC#N)cc1 ZINC000603494344 363140376 /nfs/dbraw/zinc/14/03/76/363140376.db2.gz SDCWBAIRYRSRLB-UHFFFAOYSA-N 0 3 274.324 0.830 20 30 CCEDHN CC(C)(N)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000261622185 352562283 /nfs/dbraw/zinc/56/22/83/352562283.db2.gz CJQZHFPNMCMKRY-UHFFFAOYSA-N 0 3 273.340 0.339 20 30 CCEDHN C#CCNC(=O)c1ccc(N2CC[C@H](N3CC=CC3)C2)nc1 ZINC000266192382 352688691 /nfs/dbraw/zinc/68/86/91/352688691.db2.gz BRSSOAQZLLOQJK-HNNXBMFYSA-N 0 3 296.374 0.895 20 30 CCEDHN C#CCNC(=O)[C@@H](C)N1CCC(CCC(N)=O)CC1 ZINC000271157302 353027578 /nfs/dbraw/zinc/02/75/78/353027578.db2.gz JPTXCTWTGLKJCY-LLVKDONJSA-N 0 3 265.357 0.102 20 30 CCEDHN CN(C)C[C@](C)(O)CNC(=O)c1cccc(C#N)c1 ZINC000153124230 188065708 /nfs/dbraw/zinc/06/57/08/188065708.db2.gz LEAMZCIKGZTNQJ-CQSZACIVSA-N 0 3 261.325 0.601 20 30 CCEDHN CS[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1N(C)C ZINC000274653128 353150024 /nfs/dbraw/zinc/15/00/24/353150024.db2.gz GUHPSGGTWDYSJT-WDEREUQCSA-N 0 3 263.370 0.830 20 30 CCEDHN CN1C[C@@H]2CN(S(=O)(=O)c3ccc(C#N)o3)C[C@@H]2C1 ZINC000287199880 353631614 /nfs/dbraw/zinc/63/16/14/353631614.db2.gz DWFANRJLKJYSSN-AOOOYVTPSA-N 0 3 281.337 0.333 20 30 CCEDHN CO[C@H]1COC[C@@H]1NCCOc1ccccc1C#N ZINC000290215587 353714550 /nfs/dbraw/zinc/71/45/50/353714550.db2.gz VOVQYRNMGLYBLN-JSGCOSHPSA-N 0 3 262.309 0.940 20 30 CCEDHN C[C@@H](CCC#N)CN1CCC(NS(C)(=O)=O)CC1 ZINC000618887293 366113999 /nfs/dbraw/zinc/11/39/99/366113999.db2.gz SGNMYMRZHKHIPR-NSHDSACASA-N 0 3 273.402 0.940 20 30 CCEDHN C#CCN(C)CCCNC(=O)c1cccc(=O)n1C ZINC000294034332 353862047 /nfs/dbraw/zinc/86/20/47/353862047.db2.gz RVACTHOTMHZONH-UHFFFAOYSA-N 0 3 261.325 0.070 20 30 CCEDHN C#CCN(C)CCCNC(=O)CCc1ccc(=O)[nH]c1 ZINC000294077934 353866195 /nfs/dbraw/zinc/86/61/95/353866195.db2.gz WLIQOJJITPRCND-UHFFFAOYSA-N 0 3 275.352 0.791 20 30 CCEDHN CN(C)CCn1nccc1NC(=O)c1ccnc(C#N)c1 ZINC000294272444 353883847 /nfs/dbraw/zinc/88/38/47/353883847.db2.gz ZHXDRGFDULZZQY-UHFFFAOYSA-N 0 3 284.323 0.964 20 30 CCEDHN N#Cc1c[nH]c(C(=O)N[C@H]2CCCN(CCCO)C2)c1 ZINC000295592619 353905742 /nfs/dbraw/zinc/90/57/42/353905742.db2.gz WNQUGGWARYKVAK-LBPRGKRZSA-N 0 3 276.340 0.463 20 30 CCEDHN C#CCN1CCC(C(=O)NCc2cccc(C(N)=O)c2)CC1 ZINC000299161405 353995757 /nfs/dbraw/zinc/99/57/57/353995757.db2.gz RKKXUNKRSSPREX-UHFFFAOYSA-N 0 3 299.374 0.747 20 30 CCEDHN CC(C)N(CC(=O)N[C@](C)(C#N)C1CC1)C[C@H](C)O ZINC000303976964 354100532 /nfs/dbraw/zinc/10/05/32/354100532.db2.gz CNYJOOBWNZCBDJ-SMDDNHRTSA-N 0 3 267.373 0.886 20 30 CCEDHN C#CCN1CCC(C(=O)NC[C@H](C)C[C@H](C)O)CC1 ZINC000304253992 354108916 /nfs/dbraw/zinc/10/89/16/354108916.db2.gz BFQFNSBXCDZIGE-OLZOCXBDSA-N 0 3 266.385 0.855 20 30 CCEDHN N#CCCCC[C@@H](N)C(=O)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000655476692 412586850 /nfs/dbraw/zinc/58/68/50/412586850.db2.gz XATUTNOYVVWAHJ-CHWSQXEVSA-N 0 3 293.367 0.604 20 30 CCEDHN C[C@H](O)C[C@H]1CCCN1[C@@H](C)C(=O)N(C)CCC#N ZINC000305237432 354140770 /nfs/dbraw/zinc/14/07/70/354140770.db2.gz YTHJVLHERQKWHN-RWMBFGLXSA-N 0 3 267.373 0.982 20 30 CCEDHN N#CCCN1CCN(C(=O)[C@H]2CNCc3ccccc32)CC1 ZINC000317391652 354226358 /nfs/dbraw/zinc/22/63/58/354226358.db2.gz JXNYSMZARYRJSF-INIZCTEOSA-N 0 3 298.390 0.931 20 30 CCEDHN Cc1cc(C#N)cc(NC(=O)C(=O)N2CCCNCC2)c1 ZINC000332392284 354660731 /nfs/dbraw/zinc/66/07/31/354660731.db2.gz XLHJEGIPXYVMBU-UHFFFAOYSA-N 0 3 286.335 0.627 20 30 CCEDHN C[C@@H](C(=O)N1CCC[C@@H](N(C)C)C1)n1cnc(C#N)n1 ZINC000336922179 355227199 /nfs/dbraw/zinc/22/71/99/355227199.db2.gz HWYWHTCOGVWHGK-WDEREUQCSA-N 0 3 276.344 0.263 20 30 CCEDHN C[C@@H](CNC(=O)[C@H](C)n1cnc(C#N)n1)N(C)C1CC1 ZINC000336941643 355230322 /nfs/dbraw/zinc/23/03/22/355230322.db2.gz YOXSEWRFOZDXAP-UWVGGRQHSA-N 0 3 276.344 0.310 20 30 CCEDHN C=CCOCCCC(=O)N[C@H](CN)C(F)(F)F ZINC000655513476 412604630 /nfs/dbraw/zinc/60/46/30/412604630.db2.gz XLSUQLADSPHQEF-MRVPVSSYSA-N 0 3 254.252 0.975 20 30 CCEDHN CS(=O)(=O)NC[C@H]1CCC[C@H]1NCc1ccc(C#N)o1 ZINC000337277952 355295737 /nfs/dbraw/zinc/29/57/37/355295737.db2.gz FWCBAUHUSJQNIB-ZWNOBZJWSA-N 0 3 297.380 0.959 20 30 CCEDHN N#Cc1ccc2ncc(CNC[C@@]3(O)CCOC3)n2c1 ZINC000339053539 355477027 /nfs/dbraw/zinc/47/70/27/355477027.db2.gz CMNPWBUFKPSYAA-AWEZNQCLSA-N 0 3 272.308 0.447 20 30 CCEDHN C[C@@H](C(=O)NC1(C#N)CCC1)N(C)CC1(O)CCOCC1 ZINC000346969887 355874867 /nfs/dbraw/zinc/87/48/67/355874867.db2.gz GHEDJBKCFHONGV-LBPRGKRZSA-N 0 3 295.383 0.411 20 30 CCEDHN C[C@H](CN1CCCC1=O)NCc1cnc2c(C#N)cnn2c1 ZINC000559254352 291078413 /nfs/dbraw/zinc/07/84/13/291078413.db2.gz MOAPDOQXHVLFFY-LLVKDONJSA-N 0 3 298.350 0.701 20 30 CCEDHN COCCN1CCC[C@H]1CNC(=O)c1cc(C#N)ccn1 ZINC000352968948 356122490 /nfs/dbraw/zinc/12/24/90/356122490.db2.gz OTKJTEIIBYGJGR-ZDUSSCGKSA-N 0 3 288.351 0.794 20 30 CCEDHN Cc1cccc2ncc(CNCCn3cnc(C#N)n3)n21 ZINC000353024148 356141316 /nfs/dbraw/zinc/14/13/16/356141316.db2.gz ZENASNYBPUOYTE-UHFFFAOYSA-N 0 3 281.323 0.896 20 30 CCEDHN Cc1nn(C)c(C)c1CNCCn1cnc(C#N)n1 ZINC000353035480 356144115 /nfs/dbraw/zinc/14/41/15/356144115.db2.gz CTMFEBHSKKYYFT-UHFFFAOYSA-N 0 3 259.317 0.290 20 30 CCEDHN CN(C)CCn1cc(NC(=O)NCC2(C#N)CC2)cn1 ZINC000619536716 366277071 /nfs/dbraw/zinc/27/70/71/366277071.db2.gz JDSWQVAQAIWIOD-UHFFFAOYSA-N 0 3 276.344 0.870 20 30 CCEDHN C[C@@H](C(=O)N[C@H]1CN(C2CC2)C[C@H]1C)n1cnc(C#N)n1 ZINC000619614041 366300430 /nfs/dbraw/zinc/30/04/30/366300430.db2.gz GIRWDUIZCOEJAU-SCVCMEIPSA-N 0 3 288.355 0.310 20 30 CCEDHN COc1cc(C)nc(N2CCN(C(=O)C(C)C#N)CC2)n1 ZINC000609921435 363529269 /nfs/dbraw/zinc/52/92/69/363529269.db2.gz WSRNHDTVUPZMHR-SNVBAGLBSA-N 0 3 289.339 0.602 20 30 CCEDHN CN(C)[C@]1(CNC(=O)c2cnn(C)c2C#N)CCSC1 ZINC000356290848 356741137 /nfs/dbraw/zinc/74/11/37/356741137.db2.gz XCKKXQKOVJAVQI-ZDUSSCGKSA-N 0 3 293.396 0.459 20 30 CCEDHN C=CCN1CCC(NC(=O)[C@@H]2CCCN2C)CC1 ZINC000358218993 356775393 /nfs/dbraw/zinc/77/53/93/356775393.db2.gz DGJBDFANYJBNSG-ZDUSSCGKSA-N 0 3 251.374 0.847 20 30 CCEDHN CCOC(=O)c1cnn(C[C@@H](C)N(C)C)c1C#N ZINC000358769585 356783998 /nfs/dbraw/zinc/78/39/98/356783998.db2.gz LQAFBSJBDKMQPT-SECBINFHSA-N 0 3 250.302 0.882 20 30 CCEDHN C[C@]1(O)CCN(C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC000610511821 363570708 /nfs/dbraw/zinc/57/07/08/363570708.db2.gz KFLSEFAIINENHV-ZBFHGGJFSA-N 0 3 290.363 0.949 20 30 CCEDHN C=CCNC(=O)NC(=O)CN1CC[C@@H]([C@H]2CCOC2)C1 ZINC000374404136 357398822 /nfs/dbraw/zinc/39/88/22/357398822.db2.gz WDYGFAJHHROTFT-NEPJUHHUSA-N 0 3 281.356 0.357 20 30 CCEDHN C[C@H]1OCC[C@H]1N(CCO)Cc1cc(C#N)n(C)c1 ZINC000449676566 236044517 /nfs/dbraw/zinc/04/45/17/236044517.db2.gz ICFUEVZYSYPIFO-BXUZGUMPSA-N 0 3 263.341 0.868 20 30 CCEDHN C[C@@H]1CCNC[C@H]1NS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000389791108 357738347 /nfs/dbraw/zinc/73/83/47/357738347.db2.gz LWYTWWJROLYYMQ-BXUZGUMPSA-N 0 3 293.392 0.976 20 30 CCEDHN CCCN1CCC[C@@H]1CNS(=O)(=O)N(C)CCC#N ZINC000352529778 283337390 /nfs/dbraw/zinc/33/73/90/283337390.db2.gz NRVHRURNFYLPMY-GFCCVEGCSA-N 0 3 288.417 0.541 20 30 CCEDHN C=CCNC(=O)[C@@H](C)N1CCN(C)[C@@H](C(C)C)C1 ZINC000488003845 358287327 /nfs/dbraw/zinc/28/73/27/358287327.db2.gz UYAWZNBVQAOKCZ-CHWSQXEVSA-N 0 3 253.390 0.949 20 30 CCEDHN COCCN(CC(=O)NCC#N)[C@H]1CCC[C@@H]1C ZINC000488030863 358287400 /nfs/dbraw/zinc/28/74/00/358287400.db2.gz BFFSARSVMUGFBU-RYUDHWBXSA-N 0 3 253.346 0.763 20 30 CCEDHN C#C[C@H](NC(=O)N[C@@H]1CNCCC1(F)F)C(C)C ZINC000491674444 358296583 /nfs/dbraw/zinc/29/65/83/358296583.db2.gz ROKHEXFLFDPFGA-VHSXEESVSA-N 0 3 259.300 0.941 20 30 CCEDHN C=CCn1cc(CNC(=O)N[C@@H]2CCN(C)[C@@H](C)C2)nn1 ZINC000581008256 359119888 /nfs/dbraw/zinc/11/98/88/359119888.db2.gz MLXHKLCCWCBVBT-NWDGAFQWSA-N 0 3 292.387 0.746 20 30 CCEDHN N#Cc1ccc(O[C@@H]2CCN(C[C@@H]3COCCO3)C2)nc1 ZINC000580037394 359077384 /nfs/dbraw/zinc/07/73/84/359077384.db2.gz PVMFWHBKTXVBOJ-ZIAGYGMSSA-N 0 3 289.335 0.822 20 30 CCEDHN C=CCc1ccccc1OC[C@@H](O)CNCC(=O)N(C)C ZINC000579947194 359064804 /nfs/dbraw/zinc/06/48/04/359064804.db2.gz YCHRGVAYLLCNIP-AWEZNQCLSA-N 0 3 292.379 0.833 20 30 CCEDHN COC(=O)[C@H](CNC(=O)[C@H](N)CCCC#N)CC1CC1 ZINC000584845854 359217122 /nfs/dbraw/zinc/21/71/22/359217122.db2.gz BPVLSMKEWUHUHX-NWDGAFQWSA-N 0 3 281.356 0.713 20 30 CCEDHN CCc1nn(C)cc1CNCCn1cnc(C#N)n1 ZINC000586782528 359289233 /nfs/dbraw/zinc/28/92/33/359289233.db2.gz LSLZIKQDGVIFGB-UHFFFAOYSA-N 0 3 259.317 0.235 20 30 CCEDHN N#Cc1cc(N2CCN(C(=O)CN3CCCC3)CC2)ccn1 ZINC000587866644 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CCEDHN C=CCN1CCC[C@H]1CNC(=O)c1cccn(C)c1=O ZINC001028270577 812535388 /nfs/dbraw/zinc/53/53/88/812535388.db2.gz NXAHOCSMJIAYOJ-LBPRGKRZSA-N 0 3 275.352 0.766 20 30 CCEDHN C=CCNC(=O)CNCCN(CC)C(=O)c1cc(C)on1 ZINC001268434225 812566927 /nfs/dbraw/zinc/56/69/27/812566927.db2.gz ZVZDCKXNPAKTOK-UHFFFAOYSA-N 0 3 294.355 0.337 20 30 CCEDHN CCN(CCNCC(=O)NCC1CC1)C(=O)[C@H](C)C#N ZINC001268439520 812569893 /nfs/dbraw/zinc/56/98/93/812569893.db2.gz QENRIWAKVYVTNR-LLVKDONJSA-N 0 3 280.372 0.110 20 30 CCEDHN CCN(CCNCC(=O)NCC#N)C(=O)[C@H](C)C1CCC1 ZINC001268459176 812600028 /nfs/dbraw/zinc/60/00/28/812600028.db2.gz ZGNXWLQLFXMWRX-GFCCVEGCSA-N 0 3 294.399 0.500 20 30 CCEDHN C#CCCCC(=O)NCCN[C@H](C)C(=O)NCCCC ZINC001126357075 812620908 /nfs/dbraw/zinc/62/09/08/812620908.db2.gz UOTCWCWERWJNSR-CYBMUJFWSA-N 0 3 281.400 0.801 20 30 CCEDHN CC#CCN1CCC[C@@H]1CNC(=O)[C@H]1CN(CC)CCO1 ZINC001028329753 812622595 /nfs/dbraw/zinc/62/25/95/812622595.db2.gz RTXGDRWKAGNXCY-HUUCEWRRSA-N 0 3 293.411 0.311 20 30 CCEDHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@H]1CN(CC)CCO1 ZINC001028329100 812624018 /nfs/dbraw/zinc/62/40/18/812624018.db2.gz GEWBSDPWJLNVIC-GJZGRUSLSA-N 0 3 295.427 0.864 20 30 CCEDHN C=CCN1C[C@@H]2CCN(C(=O)Cc3cc[nH]n3)[C@@H]2C1 ZINC001075638962 812674681 /nfs/dbraw/zinc/67/46/81/812674681.db2.gz UYGRUVPOGSKYSG-WCQYABFASA-N 0 3 260.341 0.671 20 30 CCEDHN CC#CCN1CC[C@H](CNC(=O)c2cncnc2C)C1 ZINC001028423458 812694419 /nfs/dbraw/zinc/69/44/19/812694419.db2.gz PBBHEGXSGQQVLB-CYBMUJFWSA-N 0 3 272.352 0.860 20 30 CCEDHN C#CCNCCN(CCO)C(=O)C(C)(C)CC=C ZINC001272265328 815547182 /nfs/dbraw/zinc/54/71/82/815547182.db2.gz NBHXQGKNWXBUMJ-UHFFFAOYSA-N 0 3 252.358 0.632 20 30 CCEDHN CC#CCN1CC[C@@H](CNC(=O)c2cnc(C)[nH]2)C1 ZINC001028451586 812716807 /nfs/dbraw/zinc/71/68/07/812716807.db2.gz VSPGGTGHMYURGA-LBPRGKRZSA-N 0 3 260.341 0.793 20 30 CCEDHN C#CCN1CC[C@@H](CNC(=O)[C@@H]2CCCCO2)C1 ZINC001028472575 812737292 /nfs/dbraw/zinc/73/72/92/812737292.db2.gz DCEKGVLDKSVYAH-STQMWFEESA-N 0 3 250.342 0.627 20 30 CCEDHN 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C=CCN1CC[C@@H](NC2(CO)Cc3ccccc3C2)C1=O ZINC000368529499 267181012 /nfs/dbraw/zinc/18/10/12/267181012.db2.gz BXTVYBLCDPQJPJ-OAHLLOKOSA-N 0 3 286.375 0.893 20 30 CCEDHN C=CCC[C@H](O)CN1CCC(S(=O)(=O)NC)CC1 ZINC000370494220 267322832 /nfs/dbraw/zinc/32/28/32/267322832.db2.gz ANSZUFQEPRTVNW-NSHDSACASA-N 0 3 276.402 0.327 20 30 CCEDHN CN1CCCN(C(=O)Cc2ccc(C#N)nc2)CC1 ZINC000527654413 267334304 /nfs/dbraw/zinc/33/43/04/267334304.db2.gz WPJLUYFDKJASJB-UHFFFAOYSA-N 0 3 258.325 0.660 20 30 CCEDHN N#Cc1ccc(CC(C#N)C(=O)N2CCNC(=O)CC2)cc1 ZINC000280909207 268083879 /nfs/dbraw/zinc/08/38/79/268083879.db2.gz NHLOXEYDJJBGFX-AWEZNQCLSA-N 0 3 296.330 0.589 20 30 CCEDHN CS[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1N(C)C ZINC000274653119 278156997 /nfs/dbraw/zinc/15/69/97/278156997.db2.gz GUHPSGGTWDYSJT-GHMZBOCLSA-N 0 3 263.370 0.830 20 30 CCEDHN C=CCOCCNC(=O)[C@@]1(N)C[C@@H](OCC)C1(C)C ZINC000388744010 545086442 /nfs/dbraw/zinc/08/64/42/545086442.db2.gz ZFFZFILXEFUNRQ-RISCZKNCSA-N 0 3 270.373 0.838 20 30 CCEDHN CCN(C[C@H](C)O)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000352222925 528721486 /nfs/dbraw/zinc/72/14/86/528721486.db2.gz SVMVVOPTJMWYFJ-QWRGUYRKSA-N 0 3 253.346 0.640 20 30 CCEDHN C[C@H](CNS(=O)(=O)CCCC#N)CN1CCCC1 ZINC000111330797 327887997 /nfs/dbraw/zinc/88/79/97/327887997.db2.gz UCCOJBLGGOLPJB-GFCCVEGCSA-N 0 3 273.402 0.941 20 30 CCEDHN N#CCc1ccnc(NC(=O)[C@@H]2CN3CCN2CCC3)c1 ZINC000534276700 328043274 /nfs/dbraw/zinc/04/32/74/328043274.db2.gz UFUQCBWHVPPYHB-ZDUSSCGKSA-N 0 3 285.351 0.476 20 30 CCEDHN C[C@](C#N)(NC(=O)CN[C@H]1C[C@H](O)C1(C)C)C1CC1 ZINC000563361147 328058666 /nfs/dbraw/zinc/05/86/66/328058666.db2.gz CDDWFCQSVFAJNA-COPLHBTASA-N 0 3 265.357 0.544 20 30 CCEDHN C=CCNC(=O)CN[C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000293579437 328107665 /nfs/dbraw/zinc/10/76/65/328107665.db2.gz JQIJYFCUXKROMV-MNOVXSKESA-N 0 3 274.386 0.234 20 30 CCEDHN CC[C@@](C)(C#N)NC(=O)c1ccn(CCN(C)C)n1 ZINC000571416449 328120460 /nfs/dbraw/zinc/12/04/60/328120460.db2.gz MBEMDUUHUMQGOA-ZDUSSCGKSA-N 0 3 263.345 0.867 20 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CCEDHN CC(C)CNC(=O)[C@H]1CSCN1C(=O)C(C)C#N ZINC000357792713 327177285 /nfs/dbraw/zinc/17/72/85/327177285.db2.gz MBNALAJALIGGJO-VHSXEESVSA-N 0 3 269.370 0.820 20 30 CCEDHN N#CCCC[C@@H](N)C(=O)NC[C@@H](O)COc1ccccc1 ZINC000573555869 327196567 /nfs/dbraw/zinc/19/65/67/327196567.db2.gz OHWGTXNMJSRQFU-TZMCWYRMSA-N 0 3 291.351 0.564 20 30 CCEDHN CCC[C@@H](C)[C@@H](CO)NCC(=O)NC1(C#N)CCC1 ZINC000566304929 327296841 /nfs/dbraw/zinc/29/68/41/327296841.db2.gz SCUPMOKTXNKZGE-VXGBXAGGSA-N 0 3 267.373 0.936 20 30 CCEDHN C=CCC[C@H](CO)NCc1cnc(N(C)C)nc1 ZINC000449701855 327415604 /nfs/dbraw/zinc/41/56/04/327415604.db2.gz XOOIIGWXMRDJJY-GFCCVEGCSA-N 0 3 250.346 0.959 20 30 CCEDHN N#Cc1cccc(OCCN2CC[C@H](CO)[C@H](O)C2)c1 ZINC000582702358 329126621 /nfs/dbraw/zinc/12/66/21/329126621.db2.gz CVRNGJUWCVKAGG-UKRRQHHQSA-N 0 3 276.336 0.612 20 30 CCEDHN C=CCN1CC[C@H](NC2(CC(=O)OC)CCC2)C1=O ZINC000459383374 329233056 /nfs/dbraw/zinc/23/30/56/329233056.db2.gz BJLYYPVFOOGMSL-NSHDSACASA-N 0 3 266.341 0.849 20 30 CCEDHN C=CC[C@@H](CO)NC(=O)NCCN(CC)C1CC1 ZINC000183327859 329247042 /nfs/dbraw/zinc/24/70/42/329247042.db2.gz VYBOPUJROUEBCJ-NSHDSACASA-N 0 3 255.362 0.707 20 30 CCEDHN C=CC[C@H](CO)NC(=O)NC1CCN(CCOC)CC1 ZINC000183687290 329249528 /nfs/dbraw/zinc/24/95/28/329249528.db2.gz DBGGPYXFSQIKRF-CYBMUJFWSA-N 0 3 285.388 0.333 20 30 CCEDHN CC(C)[C@H]([NH3+])C[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000583036045 329306039 /nfs/dbraw/zinc/30/60/39/329306039.db2.gz WCMQBCUYLWYEBG-SECBINFHSA-N 0 3 257.315 0.413 20 30 CCEDHN C=CCN(CCCN1C(=O)CNC1=O)CCOC ZINC000189423885 329382136 /nfs/dbraw/zinc/38/21/36/329382136.db2.gz UVEZOUNLZHRSOK-UHFFFAOYSA-N 0 3 255.318 0.063 20 30 CCEDHN NC[C@@H]1CCCN1C(=O)C(=O)NCC#Cc1ccccc1 ZINC000419105678 329708261 /nfs/dbraw/zinc/70/82/61/329708261.db2.gz BZGIFLNWDFSYMP-AWEZNQCLSA-N 0 3 285.347 0.104 20 30 CCEDHN C=CCN(CCOC)C(=O)C(=O)N[C@@H](CN)C1CCCC1 ZINC000420067205 329754937 /nfs/dbraw/zinc/75/49/37/329754937.db2.gz XURAFTDSCCDQGF-ZDUSSCGKSA-N 0 3 297.399 0.281 20 30 CCEDHN C=C(C)CN(C)C(=O)C(=O)N[C@@H](CN)C1CCCC1 ZINC000420077207 329756002 /nfs/dbraw/zinc/75/60/02/329756002.db2.gz XULRMMAQOPZBQU-LBPRGKRZSA-N 0 3 267.373 0.655 20 30 CCEDHN C#CCN1CCC(C(=O)N[C@@H](CO)CC(C)C)CC1 ZINC000161245606 329919295 /nfs/dbraw/zinc/91/92/95/329919295.db2.gz BUVPYLPOYUVMDX-CQSZACIVSA-N 0 3 266.385 0.855 20 30 CCEDHN CCCN(CC)CCNC(=O)C(=O)NCC(C)(C)CC#N ZINC000422377628 330144612 /nfs/dbraw/zinc/14/46/12/330144612.db2.gz MZLVUIHNFWXCQX-UHFFFAOYSA-N 0 3 296.415 0.891 20 30 CCEDHN CCN1CCC[C@H]1CNC(=O)C(=O)NCC(C)(C)CC#N ZINC000422479148 330147709 /nfs/dbraw/zinc/14/77/09/330147709.db2.gz JLNWMXYIZUSJKN-LBPRGKRZSA-N 0 3 294.399 0.643 20 30 CCEDHN C=CC[C@H](CO)CN[C@H]1CCN[C@H]1C(=O)OCC ZINC000423014339 330165287 /nfs/dbraw/zinc/16/52/87/330165287.db2.gz HZUUNAJCYYBQAC-SDDRHHMPSA-N 0 3 256.346 0.054 20 30 CCEDHN C=CCCN(C)C(=O)C(=O)N1CCCC[C@@H]1CN ZINC000423626854 330213220 /nfs/dbraw/zinc/21/32/20/330213220.db2.gz SXIJZHIDDFUBJP-LLVKDONJSA-N 0 3 253.346 0.361 20 30 CCEDHN COCCN(CCOC)C(=O)[C@H](N)CCCC#N ZINC000424072615 330220361 /nfs/dbraw/zinc/22/03/61/330220361.db2.gz DGXUJELQOJJCJM-LLVKDONJSA-N 0 3 257.334 0.129 20 30 CCEDHN COC(=O)[C@H](NC(=O)[C@H](N)CCCC#N)C(C)C ZINC000424076700 330220976 /nfs/dbraw/zinc/22/09/76/330220976.db2.gz MUNKSEMXGZROMZ-NXEZZACHSA-N 0 3 255.318 0.321 20 30 CCEDHN CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCC#N)C(=O)OC ZINC000424081931 330223484 /nfs/dbraw/zinc/22/34/84/330223484.db2.gz ARTYVBAGNMZUJG-DCAQKATOSA-N 0 3 269.345 0.711 20 30 CCEDHN CCCN(CC(=O)N(C)C)C(=O)[C@@H](N)CCCC#N ZINC000424105655 330234456 /nfs/dbraw/zinc/23/44/56/330234456.db2.gz VZQQZORNIGTNRA-NSHDSACASA-N 0 3 268.361 0.334 20 30 CCEDHN C[C@H](NC(=O)[C@@H](N)CCCC#N)C(=O)N1CCCC[C@H]1C ZINC000424111652 330240018 /nfs/dbraw/zinc/24/00/18/330240018.db2.gz GSPJMFQBIZOLTK-AGIUHOORSA-N 0 3 294.399 0.913 20 30 CCEDHN C[C@@H]1CN(C(=O)[C@@H](N)CCCC#N)C[C@H]1N1CCOCC1 ZINC000424157896 330305127 /nfs/dbraw/zinc/30/51/27/330305127.db2.gz RYJYYYZKXTZXOV-HZSPNIEDSA-N 0 3 294.399 0.187 20 30 CCEDHN N#CCCC[C@H](N)C(=O)NCc1ccc2[nH]c(=O)[nH]c2c1 ZINC000424168008 330310039 /nfs/dbraw/zinc/31/00/39/330310039.db2.gz FMZSLGGMQZENTE-JTQLQIEISA-N 0 3 287.323 0.906 20 30 CCEDHN CCOC(=O)[C@H](C)[C@H](C)NC(=O)[C@@H](N)CCCC#N ZINC000424170626 330310752 /nfs/dbraw/zinc/31/07/52/330310752.db2.gz IMDXZVKLROGSQR-VWYCJHECSA-N 0 3 269.345 0.711 20 30 CCEDHN CCOC(=O)CN(C(=O)[C@H](N)CCCC#N)C1CC1 ZINC000424193370 330324344 /nfs/dbraw/zinc/32/43/44/330324344.db2.gz QRDBWAKHYNKLCY-LLVKDONJSA-N 0 3 267.329 0.562 20 30 CCEDHN COCCOC[C@@H](O)CNCC#Cc1cccc(F)c1 ZINC000515416087 330476876 /nfs/dbraw/zinc/47/68/76/330476876.db2.gz HVQXQBZBLKIVGD-HNNXBMFYSA-N 0 3 281.327 0.791 20 30 CCEDHN CN(C)C(=O)[C@@H]1CC[C@H](CN[C@@H]2CC[C@@H](C#N)C2)O1 ZINC000442829321 330785789 /nfs/dbraw/zinc/78/57/89/330785789.db2.gz OWOUKRLRMQDNHS-LPWJVIDDSA-N 0 3 265.357 0.904 20 30 CCEDHN C=CCN(CC=C)C(=O)CN[C@H](CO)[C@H]1CCCO1 ZINC000447905852 330879851 /nfs/dbraw/zinc/87/98/51/330879851.db2.gz VOHCPSWPPQFNAZ-CHWSQXEVSA-N 0 3 268.357 0.317 20 30 CCEDHN C=CCN1CC[C@H](N2CC[C@@H](CO)[C@H]2CC)C1=O ZINC000451258131 331022274 /nfs/dbraw/zinc/02/22/74/331022274.db2.gz AGVKWLGPZJNNBG-XQQFMLRXSA-N 0 3 252.358 0.866 20 30 CCEDHN C=CCNC(=O)NC(=O)CN[C@@H]1CCC[C@H]1OC ZINC000451628228 331037450 /nfs/dbraw/zinc/03/74/50/331037450.db2.gz AERULABVCUAEFJ-NXEZZACHSA-N 0 3 255.318 0.155 20 30 CCEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)NC(=O)NCCCC ZINC000451675783 331038548 /nfs/dbraw/zinc/03/85/48/331038548.db2.gz RBLPIUFLCFLWGF-NEPJUHHUSA-N 0 3 283.372 0.936 20 30 CCEDHN C=CCNC(=O)NC(=O)CN[C@H]1COCC1(C)C ZINC000451828477 331043974 /nfs/dbraw/zinc/04/39/74/331043974.db2.gz RYEFVGZGMLVYSB-VIFPVBQESA-N 0 3 255.318 0.013 20 30 CCEDHN C=CCC(C)(C)CNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000458812747 331261059 /nfs/dbraw/zinc/26/10/59/331261059.db2.gz RDCXNWJUGIMSDP-CQSZACIVSA-N 0 3 269.389 0.955 20 30 CCEDHN C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000459016270 331266650 /nfs/dbraw/zinc/26/66/50/331266650.db2.gz FTRZHQDYFUDWCP-MCIONIFRSA-N 0 3 277.368 0.986 20 30 CCEDHN C=CCNC(=O)CN1CCN(C[C@H]2C[C@@H]2C)CC1 ZINC000488288774 331997558 /nfs/dbraw/zinc/99/75/58/331997558.db2.gz DLWSOEKYESPHNL-QWHCGFSZSA-N 0 3 251.374 0.562 20 30 CCEDHN C#CCN1CCC(C(=O)N2CCN(C3CC3)CC2)CC1 ZINC000490575304 332093123 /nfs/dbraw/zinc/09/31/23/332093123.db2.gz QTCPRLKLDFJKHH-UHFFFAOYSA-N 0 3 275.396 0.638 20 30 CCEDHN C#CCN1CCC(C(=O)NCCOC(F)(F)F)CC1 ZINC000490742785 332112274 /nfs/dbraw/zinc/11/22/74/332112274.db2.gz YYUWHOUVHREDSH-UHFFFAOYSA-N 0 3 278.274 0.984 20 30 CCEDHN C#CCN1CCN(C(=O)CN(C)CC(C)C)CC1 ZINC000490840988 332119764 /nfs/dbraw/zinc/11/97/64/332119764.db2.gz RRYXNUPVXQIUBB-UHFFFAOYSA-N 0 3 251.374 0.352 20 30 CCEDHN C#CCNC(=O)CCN1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000491066487 332144344 /nfs/dbraw/zinc/14/43/44/332144344.db2.gz CNVCVEJLDNAGHM-MELADBBJSA-N 0 3 280.368 0.394 20 30 CCEDHN C#CCN1CCN(C(=O)CN2CCSCC[C@H]2C)CC1 ZINC000491070900 332145921 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280.328 0.029 20 30 CCEDHN CC#CCNCCN(CC)C(=O)c1nccnc1N ZINC001268441232 812571607 /nfs/dbraw/zinc/57/16/07/812571607.db2.gz VQAHDGADNDNEHU-UHFFFAOYSA-N 0 3 261.329 0.134 20 30 CCEDHN C#CCN1CCC(C(=O)NC[C@H]2CCCN2CCF)CC1 ZINC001028333356 812623789 /nfs/dbraw/zinc/62/37/89/812623789.db2.gz IGJLYNXUHPUDGT-OAHLLOKOSA-N 0 3 295.402 0.882 20 30 CCEDHN C=CC(C)(C)C(=O)N(CC)CCN[C@H](CC)C(N)=O ZINC001268470580 812623826 /nfs/dbraw/zinc/62/38/26/812623826.db2.gz XGUMUHDCXYPIKP-LLVKDONJSA-N 0 3 269.389 0.901 20 30 CCEDHN C#CCNCCN(CC)C(=O)[C@@H]1CCC[C@H](C(N)=O)C1 ZINC001268481566 812647630 /nfs/dbraw/zinc/64/76/30/812647630.db2.gz YEFINJJDGXMJEV-QWHCGFSZSA-N 0 3 279.384 0.349 20 30 CCEDHN C#CCN1CC[C@H](CNC(=O)c2cnn(C)c2C)C1 ZINC001028410910 812684016 /nfs/dbraw/zinc/68/40/16/812684016.db2.gz IHAUUZYCEWWQRL-GFCCVEGCSA-N 0 3 260.341 0.413 20 30 CCEDHN COCC#CCNCCN(CCO)C(=O)[C@H]1CC12CCC2 ZINC001272265669 815547677 /nfs/dbraw/zinc/54/76/77/815547677.db2.gz UOOZYFTZQMZNJF-CQSZACIVSA-N 0 3 294.395 0.237 20 30 CCEDHN CC#CCN1CC[C@H](CNC(=O)c2cnc(C)[nH]2)C1 ZINC001028451585 812717133 /nfs/dbraw/zinc/71/71/33/812717133.db2.gz VSPGGTGHMYURGA-GFCCVEGCSA-N 0 3 260.341 0.793 20 30 CCEDHN C#CCNC(=O)[C@@H](C)NC/C=C/CNC(=O)CC(C)(C)C ZINC001268514286 812752822 /nfs/dbraw/zinc/75/28/22/812752822.db2.gz ZZJPFVHQYJCDAF-SBDDDAINSA-N 0 3 293.411 0.823 20 30 CCEDHN C#CCN1CC[C@H](CNC(=O)[C@@H]2CCCOCC2)C1 ZINC001028512368 812798395 /nfs/dbraw/zinc/79/83/95/812798395.db2.gz SSDRHBCOLOQFGI-ZIAGYGMSSA-N 0 3 264.369 0.874 20 30 CCEDHN CC#CCN1CC[C@H](CNC(=O)C2CCC(O)CC2)C1 ZINC001028511519 812798600 /nfs/dbraw/zinc/79/86/00/812798600.db2.gz ULJIAXLNGJSIGR-WLYUNCDWSA-N 0 3 278.396 0.999 20 30 CCEDHN C=C[C@](C)(O)CC(=O)NCCNCC(=O)NCC(C)(C)C ZINC001126378631 812815602 /nfs/dbraw/zinc/81/56/02/812815602.db2.gz PCFUXFDUGHDQIW-HNNXBMFYSA-N 0 3 299.415 0.182 20 30 CCEDHN CC#CCN1CC[C@@H](CNC(=O)c2n[nH]cc2C)C1 ZINC001028532242 812820931 /nfs/dbraw/zinc/82/09/31/812820931.db2.gz CCHTVCQCWKHECM-LBPRGKRZSA-N 0 3 260.341 0.793 20 30 CCEDHN C=C[C@@](C)(O)CC(=O)NCCN[C@H](C)C(=O)N(CC)CC ZINC001126385078 812853118 /nfs/dbraw/zinc/85/31/18/812853118.db2.gz SYFWEUSZEFLHII-IUODEOHRSA-N 0 3 299.415 0.276 20 30 CCEDHN C=C[C@@](C)(O)CC(=O)NCCN[C@@H](C)C(=O)NCCCC ZINC001126385033 812855208 /nfs/dbraw/zinc/85/52/08/812855208.db2.gz SJNCUOFQUJEIMD-SWLSCSKDSA-N 0 3 299.415 0.324 20 30 CCEDHN C#CCN1CC[C@@H](CNC(=O)c2ncc(OC)cc2F)C1 ZINC001028584227 812866181 /nfs/dbraw/zinc/86/61/81/812866181.db2.gz UIRQQZGGDUHWPN-NSHDSACASA-N 0 3 291.326 0.914 20 30 CCEDHN CC#CCNC/C=C/CNC(=O)[C@]1(C)CCC(=O)NC1 ZINC001268585982 812872156 /nfs/dbraw/zinc/87/21/56/812872156.db2.gz XYRIIERHVBFPCL-LLYBFZRZSA-N 0 3 277.368 0.188 20 30 CCEDHN C#CCOCCC(=O)NCCN[C@@H](C)C(=O)NC(C)(C)C ZINC001127027123 815563972 /nfs/dbraw/zinc/56/39/72/815563972.db2.gz IYCJSYUUDXHFLC-LBPRGKRZSA-N 0 3 297.399 0.035 20 30 CCEDHN C#CCNC/C=C\CNC(=O)c1cnn2c1C[C@@H](C)CC2 ZINC001268617125 812950532 /nfs/dbraw/zinc/95/05/32/812950532.db2.gz GWFPJMMLOHCSTB-ZFDPJTLLSA-N 0 3 286.379 0.974 20 30 CCEDHN CC#CCNC/C=C\CNC(=O)[C@](C)(NC(C)=O)C(C)C ZINC001268631606 812954098 /nfs/dbraw/zinc/95/40/98/812954098.db2.gz BYQFHENBAFEOBZ-HLRDLLSLSA-N 0 3 293.411 0.823 20 30 CCEDHN C=CCN(C)C[C@@H](C)NC(=O)Cc1nnc(C)o1 ZINC001268730421 813045220 /nfs/dbraw/zinc/04/52/20/813045220.db2.gz ULFLAKLZGLECTH-SECBINFHSA-N 0 3 252.318 0.543 20 30 CCEDHN CC#CCN1CC[C@H](CNC(=O)c2cccc(C(N)=O)c2)C1 ZINC001028639319 813091784 /nfs/dbraw/zinc/09/17/84/813091784.db2.gz WGLABDNSJGQDDI-CYBMUJFWSA-N 0 3 299.374 0.861 20 30 CCEDHN C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)c2cnn[n-]2)C1 ZINC001028653304 813166764 /nfs/dbraw/zinc/16/67/64/813166764.db2.gz MECKVZXGMPLKHK-NSHDSACASA-N 0 3 263.345 0.823 20 30 CCEDHN C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)c2cnn[n-]2)C1 ZINC001028653304 813166769 /nfs/dbraw/zinc/16/67/69/813166769.db2.gz MECKVZXGMPLKHK-NSHDSACASA-N 0 3 263.345 0.823 20 30 CCEDHN C#CCN1CC[C@H](CNC(=O)c2snnc2CC)C1 ZINC001028670238 813241054 /nfs/dbraw/zinc/24/10/54/813241054.db2.gz KGGWKJYAXUATDE-SNVBAGLBSA-N 0 3 278.381 0.785 20 30 CCEDHN CC#CC(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2CCN(C)C ZINC001269204480 813263472 /nfs/dbraw/zinc/26/34/72/813263472.db2.gz XTTDSCAYOKASHS-CHWSQXEVSA-N 0 3 277.368 0.163 20 30 CCEDHN C[C@H](O)CCCN1CC[C@H](N(C)C(=O)CSCC#N)C1 ZINC001269214468 813271673 /nfs/dbraw/zinc/27/16/73/813271673.db2.gz BORIHFAIAJVBDW-STQMWFEESA-N 0 3 299.440 0.937 20 30 CCEDHN C#CCCN1CC[C@H](N(C)C(=O)[C@H](C)COC)C1 ZINC001269220943 813273269 /nfs/dbraw/zinc/27/32/69/813273269.db2.gz DKVUZTYPEPQJOB-OLZOCXBDSA-N 0 3 252.358 0.825 20 30 CCEDHN CC#CCN1CC[C@@H](CNC(=O)c2ccnc(OC)n2)C1 ZINC001028682582 813305379 /nfs/dbraw/zinc/30/53/79/813305379.db2.gz LQGNNTSFBUBPJG-LBPRGKRZSA-N 0 3 288.351 0.560 20 30 CCEDHN CC#CCN1CC[C@@H](CNC(=O)c2cnc3nccn3c2)C1 ZINC001028689896 813314026 /nfs/dbraw/zinc/31/40/26/813314026.db2.gz NMXCJFPQZNVWQA-ZDUSSCGKSA-N 0 3 297.362 0.804 20 30 CCEDHN C#CCCN1CC[C@@H](N(CC)C(=O)Cc2nnc(C)[nH]2)C1 ZINC001269324549 813326535 /nfs/dbraw/zinc/32/65/35/813326535.db2.gz MLJDLETWMYXHBZ-CYBMUJFWSA-N 0 3 289.383 0.602 20 30 CCEDHN C#CCN1CC[C@@H](CNC(=O)c2coc(C(N)=O)c2)C1 ZINC001028709920 813344787 /nfs/dbraw/zinc/34/47/87/813344787.db2.gz GEYZPHFMNSZEEE-JTQLQIEISA-N 0 3 275.308 0.063 20 30 CCEDHN C#CCNC1(CNC(=O)[C@H]2CCC[C@H](C(N)=O)C2)CC1 ZINC001269502341 813394864 /nfs/dbraw/zinc/39/48/64/813394864.db2.gz WXZRBZMIVOWNHJ-RYUDHWBXSA-N 0 3 277.368 0.150 20 30 CCEDHN C#CCNC1(CNC(=O)[C@@H]2CC23CCOCC3)CC1 ZINC001269548478 813416628 /nfs/dbraw/zinc/41/66/28/813416628.db2.gz KQVTURLZZFGWNG-LBPRGKRZSA-N 0 3 262.353 0.675 20 30 CCEDHN C=CCNC(=O)CNC[C@@](C)(NC(=O)[C@H]1C[C@@H]1C)C1CC1 ZINC001269629563 813452974 /nfs/dbraw/zinc/45/29/74/813452974.db2.gz IAAPCMIIHWRHSR-DETPVDSQSA-N 0 3 293.411 0.819 20 30 CCEDHN C#CCN1CCC[C@]2(CCN(C(=O)CNC(C)=O)C2)C1 ZINC001269681147 813471145 /nfs/dbraw/zinc/47/11/45/813471145.db2.gz HVMQAZIOKAZWRS-HNNXBMFYSA-N 0 3 277.368 0.070 20 30 CCEDHN C#CCN1CC[C@]2(CCN(C(=O)CCCOC)C2)C1 ZINC001269719595 813480364 /nfs/dbraw/zinc/48/03/64/813480364.db2.gz MHMGLFHVXJUNCO-HNNXBMFYSA-N 0 3 264.369 0.971 20 30 CCEDHN CC#CCN1CC[C@]2(CCN(C(=O)CNC(=O)OC)C2)C1 ZINC001269718897 813480930 /nfs/dbraw/zinc/48/09/30/813480930.db2.gz GIVPKXWQTBOVSK-HNNXBMFYSA-N 0 3 293.367 0.290 20 30 CCEDHN C#CCN1CC[C@H](CNC(=O)c2cncc(OC)n2)C1 ZINC001028848141 813579567 /nfs/dbraw/zinc/57/95/67/813579567.db2.gz GFDFBGADJFYESS-LLVKDONJSA-N 0 3 274.324 0.170 20 30 CCEDHN C#CCNCc1ccc(CNC(=O)C2=COCCO2)cc1 ZINC001270048741 813602210 /nfs/dbraw/zinc/60/22/10/813602210.db2.gz WFWYZOCKLAFRHH-UHFFFAOYSA-N 0 3 286.331 0.914 20 30 CCEDHN C#CCN1CC[C@H](CNC(=O)c2c(C)n[nH]c2C)C1 ZINC001028871128 813608234 /nfs/dbraw/zinc/60/82/34/813608234.db2.gz DIIOKWFJNBLUNN-GFCCVEGCSA-N 0 3 260.341 0.711 20 30 CCEDHN C#CC[NH+]1CCC(CCNC(=O)Cc2nnc[n-]2)CC1 ZINC001270150809 813653633 /nfs/dbraw/zinc/65/36/33/813653633.db2.gz GCJGUJQLEZOUQF-UHFFFAOYSA-N 0 3 275.356 0.199 20 30 CCEDHN C#CCCN1C[C@@H]2CCN(C(=O)c3cc(=O)n(C)o3)[C@@H]2C1 ZINC001075735418 813668269 /nfs/dbraw/zinc/66/82/69/813668269.db2.gz PWWPFMDJMGSKFI-NWDGAFQWSA-N 0 3 289.335 0.148 20 30 CCEDHN C#CCN1CC[C@H](CNC(=O)c2cnn3cc[nH]c23)C1 ZINC001028953390 813695683 /nfs/dbraw/zinc/69/56/83/813695683.db2.gz FJAGMPJEDAIQRK-LLVKDONJSA-N 0 3 271.324 0.347 20 30 CCEDHN C#CCN1CC[C@H](CNC(=O)[C@@H]2Cc3cccnc3C2)C1 ZINC001028954863 813697421 /nfs/dbraw/zinc/69/74/21/813697421.db2.gz HZVZGZJWQXGPKB-UKRRQHHQSA-N 0 3 283.375 0.868 20 30 CCEDHN C#CCN1CC[C@@H](CNC(=O)c2cccnc2N(C)C)C1 ZINC001028982746 813720812 /nfs/dbraw/zinc/72/08/12/813720812.db2.gz RLKBRZXGAJFVCV-ZDUSSCGKSA-N 0 3 286.379 0.833 20 30 CCEDHN CN1CC[C@H]2[C@@H]1CCN2C(=O)C#Cc1ccncc1 ZINC001270336006 813723369 /nfs/dbraw/zinc/72/33/69/813723369.db2.gz LZRDEPJDOZAUCN-KBPBESRZSA-N 0 3 255.321 0.738 20 30 CCEDHN C#CCN1CC[C@H](CNC(=O)c2cnc(OCC)cn2)C1 ZINC001029021394 813775438 /nfs/dbraw/zinc/77/54/38/813775438.db2.gz QGHOTRSVJXXYPO-GFCCVEGCSA-N 0 3 288.351 0.560 20 30 CCEDHN C#CCN1CC[C@@](C)(NC(=O)[C@@H](C)CN2CCOCC2)C1 ZINC001270659648 813878207 /nfs/dbraw/zinc/87/82/07/813878207.db2.gz VUMPLOMSMZGNKJ-GOEBONIOSA-N 0 3 293.411 0.169 20 30 CCEDHN C=CCN1C[C@@H]2CCN(C(=O)CO[C@H]3CCOC3)[C@@H]2C1 ZINC001075784773 814003662 /nfs/dbraw/zinc/00/36/62/814003662.db2.gz HHLWKFKSZAMXOH-MELADBBJSA-N 0 3 280.368 0.511 20 30 CCEDHN C=CCNC(=O)CNC[C@@H](C)N(C)C(=O)c1[nH]ccc1C ZINC001270947229 814096389 /nfs/dbraw/zinc/09/63/89/814096389.db2.gz GSQMBPGSPXLWGT-GFCCVEGCSA-N 0 3 292.383 0.675 20 30 CCEDHN C=CCNC(=O)CNC[C@H](C)N(C)C(=O)c1[nH]ccc1C ZINC001270947239 814096650 /nfs/dbraw/zinc/09/66/50/814096650.db2.gz GSQMBPGSPXLWGT-LBPRGKRZSA-N 0 3 292.383 0.675 20 30 CCEDHN C=CCNC(=O)CNC[C@H](C)N(C)C(=O)c1cc[nH]c1 ZINC001270966868 814102441 /nfs/dbraw/zinc/10/24/41/814102441.db2.gz DWBHKJYBMXVCTI-NSHDSACASA-N 0 3 278.356 0.367 20 30 CCEDHN CC#CCN1CC[C@H](NC(=O)C[C@@H]2CCNC2=O)[C@H]1CC ZINC001087599906 814172180 /nfs/dbraw/zinc/17/21/80/814172180.db2.gz CAOTXLUXGIJEHU-MELADBBJSA-N 0 3 291.395 0.505 20 30 CCEDHN CC#CCN1CC[C@H](NC(=O)c2cn(C)c(=O)[nH]2)[C@H]1CC ZINC001087712574 814195559 /nfs/dbraw/zinc/19/55/59/814195559.db2.gz PGEVXZOQRQNGFU-WCQYABFASA-N 0 3 290.367 0.732 20 30 CCEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@H](OC)C3CC3)C[C@@H]2C1 ZINC001087952155 814281854 /nfs/dbraw/zinc/28/18/54/814281854.db2.gz XJOFADXEDGUJJT-QLFBSQMISA-N 0 3 276.380 0.825 20 30 CCEDHN C#CCN1CC[C@@H]2CN(C(=O)CO[C@H]3CCOC3)C[C@@H]2C1 ZINC001087964775 814288199 /nfs/dbraw/zinc/28/81/99/814288199.db2.gz ZQNNAKCGPNIVJL-ILXRZTDVSA-N 0 3 292.379 0.205 20 30 CCEDHN C=CCN1CC[C@](O)(CNC(=O)c2conc2C)C1 ZINC001271185368 814327890 /nfs/dbraw/zinc/32/78/90/814327890.db2.gz XPMBDZBBIBPOMN-ZDUSSCGKSA-N 0 3 265.313 0.336 20 30 CCEDHN C#CCN1CC[C@@H]2CN(C(=O)[C@H](C)c3cncnc3)C[C@@H]2C1 ZINC001088079944 814383392 /nfs/dbraw/zinc/38/33/92/814383392.db2.gz DDKMDYCVQYVEQF-FMKPAKJESA-N 0 3 298.390 0.994 20 30 CCEDHN C#CCNC(=O)[C@H](C)NCCNC(=O)[C@H](C)CCCC ZINC001126579174 814418065 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ZINC001318991631 909947174 /nfs/dbraw/zinc/94/71/74/909947174.db2.gz WOUMYTRVHMPBNT-ZDUSSCGKSA-N 0 3 287.319 0.134 20 30 CCEDHN N#CCNC(=O)CNC[C@H]1CCCN1C(=O)CC1CC1 ZINC001319043291 909961523 /nfs/dbraw/zinc/96/15/23/909961523.db2.gz HZSQOZSXNGCCLH-GFCCVEGCSA-N 0 3 278.356 0.007 20 30 CCEDHN C=CCNC(=O)CNC[C@H]1CCCN1C(=O)C(C)(F)F ZINC001319049494 909964855 /nfs/dbraw/zinc/96/48/55/909964855.db2.gz WHQOACBYICDBRE-SNVBAGLBSA-N 0 3 289.326 0.524 20 30 CCEDHN C=C(C)CN1CCO[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001319322019 910095147 /nfs/dbraw/zinc/09/51/47/910095147.db2.gz HAVUTYMVQZXJBD-CABCVRRESA-N 0 3 295.427 0.721 20 30 CCEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)[C@@H](C)NC(=O)CC)C1 ZINC001389849005 910115948 /nfs/dbraw/zinc/11/59/48/910115948.db2.gz QCOAYSHNLWUAMQ-GMTAPVOTSA-N 0 3 287.791 0.890 20 30 CCEDHN C=CCN1CC[C@@H](NC[C@@H](C)N(C)C(=O)C2CC2)C1=O ZINC001319413262 910135628 /nfs/dbraw/zinc/13/56/28/910135628.db2.gz XSYMVMFQNGCCEN-DGCLKSJQSA-N 0 3 279.384 0.620 20 30 CCEDHN C[C@@H](C#N)C(=O)NCC1(NC(=O)CN2CC[C@H](C)C2)CC1 ZINC001389956924 910167046 /nfs/dbraw/zinc/16/70/46/910167046.db2.gz FQORCXVYEYVQTA-RYUDHWBXSA-N 0 3 292.383 0.253 20 30 CCEDHN C#CCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1C1CC1 ZINC001319546610 910195004 /nfs/dbraw/zinc/19/50/04/910195004.db2.gz LECBZZWFTYMFJM-KWCYVHTRSA-N 0 3 291.395 0.218 20 30 CCEDHN COc1ncc(CN[C@@H](C)CNC(=O)[C@@H](C)C#N)c(C)n1 ZINC001390348317 910368029 /nfs/dbraw/zinc/36/80/29/910368029.db2.gz UQFLQYKMEPSIQY-UWVGGRQHSA-N 0 3 291.355 0.548 20 30 CCEDHN C#CCNC(=O)CN[C@@H](CNC(=O)C(C)(C)C)C(C)C ZINC001319955008 910369649 /nfs/dbraw/zinc/36/96/49/910369649.db2.gz BQSODAHJQKYVLI-LBPRGKRZSA-N 0 3 281.400 0.512 20 30 CCEDHN C=C(C)CN(C)CCN(C)C(=O)[C@@H](C)n1cncn1 ZINC001319991282 910399379 /nfs/dbraw/zinc/39/93/79/910399379.db2.gz IFEYHSOVRFUHAE-GFCCVEGCSA-N 0 3 265.361 0.805 20 30 CCEDHN C#CCCN(C)CCN(C)C(=O)C1CC(OC)C1 ZINC001320010316 910411653 /nfs/dbraw/zinc/41/16/53/910411653.db2.gz URQHDTSMCNDKDC-UHFFFAOYSA-N 0 3 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20 30 CCEDHN COCC#CCNC[C@H](C)NC(=O)[C@H](C)SC ZINC001321790548 911492987 /nfs/dbraw/zinc/49/29/87/911492987.db2.gz WAVSZKDTHRLCKF-QWRGUYRKSA-N 0 3 258.387 0.482 20 30 CCEDHN CC[C@H](C)NC(=O)CNC[C@H](C)NC(=O)C#CC(C)C ZINC001321843308 911522716 /nfs/dbraw/zinc/52/27/16/911522716.db2.gz PAVJKTXPMKVZHH-STQMWFEESA-N 0 3 281.400 0.655 20 30 CCEDHN COCC#CCNC[C@H](C)NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001321955412 911587571 /nfs/dbraw/zinc/58/75/71/911587571.db2.gz GHELSQZIKAMGCK-IGQOVBAYSA-N 0 3 264.369 0.777 20 30 CCEDHN CC#CCCCC(=O)N[C@@H](C)CN[C@H](CC)C(N)=O ZINC001321955686 911588533 /nfs/dbraw/zinc/58/85/33/911588533.db2.gz IWUYSWZCNMGEKH-NWDGAFQWSA-N 0 3 267.373 0.538 20 30 CCEDHN C=CCOCCN(C)C[C@H](C)NC(=O)c1ncc[nH]1 ZINC001322157846 911685143 /nfs/dbraw/zinc/68/51/43/911685143.db2.gz RCBSHRMAKJAJLJ-NSHDSACASA-N 0 3 266.345 0.662 20 30 CCEDHN C=CCOCCN(C)C[C@@H](C)NC(=O)[C@H]1CCC(=O)NC1 ZINC001322193670 911702068 /nfs/dbraw/zinc/70/20/68/911702068.db2.gz MRKVMMUFUIFSFT-OLZOCXBDSA-N 0 3 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414694923 /nfs/dbraw/zinc/69/49/23/414694923.db2.gz HLVMTWZENXVOHC-CABCVRRESA-N 0 3 264.369 0.616 20 30 CCEDHN C=C[C@H](CO)NCCC(=O)Nc1ccc2c(c1)OCO2 ZINC000662165343 414694943 /nfs/dbraw/zinc/69/49/43/414694943.db2.gz CIKCRRWGGUFATB-SNVBAGLBSA-N 0 3 278.308 0.880 20 30 CCEDHN C=C[C@H](CO)NC[C@H](O)COCc1ccccc1F ZINC000662167941 414695089 /nfs/dbraw/zinc/69/50/89/414695089.db2.gz TVSIHRAPFXNDBP-OLZOCXBDSA-N 0 3 269.316 0.840 20 30 CCEDHN C=C(C)C[C@H](C)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC000662947424 414910492 /nfs/dbraw/zinc/91/04/92/414910492.db2.gz OMUVFTAIYLPNGE-VIFPVBQESA-N 0 3 264.329 0.859 20 30 CCEDHN COc1cc(C#N)ccc1OCCN(CCO)CCCO ZINC000077285561 177248574 /nfs/dbraw/zinc/24/85/74/177248574.db2.gz JOYXLQSYJSVSHL-UHFFFAOYSA-N 0 3 294.351 0.622 20 30 CCEDHN CC(C#N)C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000347065609 226011485 /nfs/dbraw/zinc/01/14/85/226011485.db2.gz JRAFLLHGULDPIP-NSHDSACASA-N 0 3 274.324 0.694 20 30 CCEDHN C#CCN1CCC(C(=O)N[C@@H]2CCCOC2)CC1 ZINC000171678416 335074119 /nfs/dbraw/zinc/07/41/19/335074119.db2.gz ZQWDDFHNHFOBST-CYBMUJFWSA-N 0 3 250.342 0.627 20 30 CCEDHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)NCc1ccn(C)n1 ZINC000329007545 227256111 /nfs/dbraw/zinc/25/61/11/227256111.db2.gz ZKDZXLBCYOGTIV-ZWNOBZJWSA-N 0 3 277.372 0.906 20 30 CCEDHN COCCN1CCC(NC(=O)N[C@@H]2C=C[C@H](CO)C2)CC1 ZINC000330105252 228040285 /nfs/dbraw/zinc/04/02/85/228040285.db2.gz JKZMNDMCYQNFOL-GXTWGEPZSA-N 0 3 297.399 0.538 20 30 CCEDHN C[C@H](NC(=O)N1CC[C@@]2(CCN(C)C2)C1)c1ncnn1C ZINC000330209164 228066633 /nfs/dbraw/zinc/06/66/33/228066633.db2.gz HHSTWHPXGDDLFK-SMDDNHRTSA-N 0 3 292.387 0.818 20 30 CCEDHN O=C(NCC1(CCO)CC1)N[C@@H]1CCN(C2CC2)C1 ZINC000330283838 228092267 /nfs/dbraw/zinc/09/22/67/228092267.db2.gz WQTHFUQYBXXHNZ-LLVKDONJSA-N 0 3 267.373 0.889 20 30 CCEDHN C[C@@H]1C[C@@H](NC(=O)CCN2C(=O)CCC2=O)CCN1C ZINC000329644984 545024387 /nfs/dbraw/zinc/02/43/87/545024387.db2.gz DISBAUSMHRPGGT-MNOVXSKESA-N 0 3 281.356 0.965 20 30 CCEDHN [O-]C(N[C@@H]1CCn2ccnc2C1)=[NH+]C[C@@H]1CC[C@H](O)C1 ZINC000329914757 545027956 /nfs/dbraw/zinc/02/79/56/545027956.db2.gz CPZOZCZHEASKNY-UTUOFQBUSA-N 0 3 278.356 0.863 20 30 CCEDHN N#C[C@H]1CN(C(=O)N[C@@H]2CCN(C3CC3)C2)CCO1 ZINC000332829267 545034389 /nfs/dbraw/zinc/03/43/89/545034389.db2.gz AEUWUTUTDBHIGW-PWSUYJOCSA-N 0 3 264.329 0.157 20 30 CCEDHN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2CC(=O)NCC#N)C1 ZINC000407963701 260119285 /nfs/dbraw/zinc/11/92/85/260119285.db2.gz QVEGFZZJLDONDS-SYQHCUMBSA-N 0 3 279.384 0.888 20 30 CCEDHN C#CCCCNC(=O)N1CCN([C@@H]2CCCN(C)C2)CC1 ZINC000374091120 260142221 /nfs/dbraw/zinc/14/22/21/260142221.db2.gz HUZFHSYFZYWYRS-OAHLLOKOSA-N 0 3 292.427 0.821 20 30 CCEDHN N#CCNC(=O)CN1CC[C@H](C2CCOCC2)C1 ZINC000407993791 260157778 /nfs/dbraw/zinc/15/77/78/260157778.db2.gz UIHITGJZRUBLLX-LBPRGKRZSA-N 0 3 251.330 0.375 20 30 CCEDHN CN1CCN(CCCNC(=O)C2(C#N)CCCC2)CC1 ZINC000069638931 260281599 /nfs/dbraw/zinc/28/15/99/260281599.db2.gz SBRHMDZINQSGPY-UHFFFAOYSA-N 0 3 278.400 0.824 20 30 CCEDHN C[C@H](CC#N)N(C)C(=O)[C@H]1CN2CCN1CCC2 ZINC000360829662 261114462 /nfs/dbraw/zinc/11/44/62/261114462.db2.gz NMELXSJVVOYAOM-VXGBXAGGSA-N 0 3 250.346 0.137 20 30 CCEDHN C#CCNC(=O)CCN1CCO[C@@H](C(C)(C)C)C1 ZINC000491167361 261358551 /nfs/dbraw/zinc/35/85/51/261358551.db2.gz XQYIBIYQODDFLB-GFCCVEGCSA-N 0 3 252.358 0.873 20 30 CCEDHN C#CCNC(=O)CCN1C[C@@H](OC)C[C@H]1CC(=O)OCC ZINC000491778287 262039097 /nfs/dbraw/zinc/03/90/97/262039097.db2.gz HICZNTYZWLABFO-STQMWFEESA-N 0 3 296.367 0.168 20 30 CCEDHN C=CCS(=O)(=O)CCNC1C[C@H]2CC[C@@H](C1)N2C ZINC000365217679 262352281 /nfs/dbraw/zinc/35/22/81/262352281.db2.gz GKJHPWLOYFWQFD-YHWZYXNKSA-N 0 3 272.414 0.802 20 30 CCEDHN N#Cc1ccc(CC(C#N)C(=O)N2CC[C@@H](O)C2)cc1 ZINC000280150294 263059311 /nfs/dbraw/zinc/05/93/11/263059311.db2.gz BJBNGGMNGJVSNX-ZIAGYGMSSA-N 0 3 269.304 0.834 20 30 CCEDHN N#Cc1ccc(CC(C#N)C(=O)NN2CCCNC2=O)cc1 ZINC000280399799 263061043 /nfs/dbraw/zinc/06/10/43/263061043.db2.gz VPQNZQFHDZBFAZ-CYBMUJFWSA-N 0 3 297.318 0.687 20 30 CCEDHN CN1CC[C@H](NC(=O)C(C#N)Cc2ccc(C#N)cc2)C1=O ZINC000280623874 263063286 /nfs/dbraw/zinc/06/32/86/263063286.db2.gz YKIGDFSQBXZPFN-KBPBESRZSA-N 0 3 296.330 0.587 20 30 CCEDHN C[C@H](O)CNC(=O)C(C#N)Cc1ccc(C#N)cc1 ZINC000280786402 263064511 /nfs/dbraw/zinc/06/45/11/263064511.db2.gz KPNRGLCYMQBSKI-GWCFXTLKSA-N 0 3 257.293 0.738 20 30 CCEDHN C#CCN(CC#N)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000281542056 263069970 /nfs/dbraw/zinc/06/99/70/263069970.db2.gz ZMFXDYZYIXXBEI-MRXNPFEDSA-N 0 3 298.390 0.864 20 30 CCEDHN C=CCCOCCNC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000289349645 263109302 /nfs/dbraw/zinc/10/93/02/263109302.db2.gz GONHQIDMTKEMIM-UHFFFAOYSA-N 0 3 297.399 0.248 20 30 CCEDHN CCCCN(C)C[C@H](C)NS(=O)(=O)N(C)CCC#N ZINC000341949222 263368076 /nfs/dbraw/zinc/36/80/76/263368076.db2.gz SMMSRKFLFMKOFE-LBPRGKRZSA-N 0 3 290.433 0.787 20 30 CCEDHN CN(CC#CCN(C)CC1(O)CCC1)CC1(O)CCC1 ZINC000341912002 263365857 /nfs/dbraw/zinc/36/58/57/263365857.db2.gz PHJANPBLSOKRSA-UHFFFAOYSA-N 0 3 280.412 0.683 20 30 CCEDHN C=CC[C@H](CO)NC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000342080123 263385713 /nfs/dbraw/zinc/38/57/13/263385713.db2.gz ASWIMYHMNPDMEP-YPMHNXCESA-N 0 3 287.429 0.660 20 30 CCEDHN C=CCNC(=O)[C@H](C)N1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000342580774 263450747 /nfs/dbraw/zinc/45/07/47/263450747.db2.gz OVLAUUYNUCRAST-TUAOUCFPSA-N 0 3 271.430 0.655 20 30 CCEDHN CC(C#N)C(=O)NCC1(S(C)(=O)=O)CCCC1 ZINC000343161914 263597670 /nfs/dbraw/zinc/59/76/70/263597670.db2.gz WTDLGTJRQWSNPK-VIFPVBQESA-N 0 3 258.343 0.620 20 30 CCEDHN CN1CC[C@@H]2CCN(C(=O)NCC(=O)N3CCCC3)[C@@H]2C1 ZINC000329268126 264069536 /nfs/dbraw/zinc/06/95/36/264069536.db2.gz GKHBIIWYIHVDQV-CHWSQXEVSA-N 0 3 294.399 0.549 20 30 CCEDHN CC(C)[C@H](CCO)NC(=O)NC[C@@H]1CCCN1C ZINC000330933350 264096926 /nfs/dbraw/zinc/09/69/26/264096926.db2.gz CLTOXTDGNTYSTC-RYUDHWBXSA-N 0 3 257.378 0.991 20 30 CCEDHN CCN(CCCN(C)C)C(=O)N[C@@H]1CC[S@](=O)C1 ZINC000330974992 264101165 /nfs/dbraw/zinc/10/11/65/264101165.db2.gz PAIDXRUXPNWGQV-ZMZPIMSZSA-N 0 3 275.418 0.695 20 30 CCEDHN CN1CCN(CCCNC(=O)CC(C)(C)C#N)CC1 ZINC000330988362 264104478 /nfs/dbraw/zinc/10/44/78/264104478.db2.gz ZJUSYMIGTTTXFQ-UHFFFAOYSA-N 0 3 266.389 0.680 20 30 CCEDHN Cn1nccc1NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000331266228 264167317 /nfs/dbraw/zinc/16/73/17/264167317.db2.gz IGTPFALWIDUKAP-UHFFFAOYSA-N 0 3 294.403 0.772 20 30 CCEDHN C[C@H](CCO)NC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000331270960 264168865 /nfs/dbraw/zinc/16/88/65/264168865.db2.gz MTNXASGJXRLQPZ-GFCCVEGCSA-N 0 3 286.420 0.287 20 30 CCEDHN C#CCN(C)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000290953934 264804574 /nfs/dbraw/zinc/80/45/74/264804574.db2.gz HAXQWOFKPZLZCF-GFCCVEGCSA-N 0 3 255.387 0.698 20 30 CCEDHN C#CCNC(=O)CCN1CCCC[C@@H]1COC(=O)NC ZINC000293550148 264954273 /nfs/dbraw/zinc/95/42/73/264954273.db2.gz KYWMLHPGLKXCNU-GFCCVEGCSA-N 0 3 281.356 0.336 20 30 CCEDHN C=CCN(CC=C)C(=O)[C@H](C)N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368342302 267164449 /nfs/dbraw/zinc/16/44/49/267164449.db2.gz YKWRANTVYSQKIL-IGQOVBAYSA-N 0 3 264.369 0.746 20 30 CCEDHN CN(CCNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C1CC1 ZINC000369242900 267228859 /nfs/dbraw/zinc/22/88/59/267228859.db2.gz JYUVEFBCKPJQDA-AWEZNQCLSA-N 0 3 291.399 0.462 20 30 CCEDHN C=C(C)CN1CCC(NC(=O)NC[C@@H](O)COC)CC1 ZINC000118072759 267236110 /nfs/dbraw/zinc/23/61/10/267236110.db2.gz LGMFKHWUTIVJAA-CYBMUJFWSA-N 0 3 285.388 0.333 20 30 CCEDHN C#CCC(CC#C)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000376717725 268011339 /nfs/dbraw/zinc/01/13/39/268011339.db2.gz LQXGXRYBMNLVRA-CABCVRRESA-N 0 3 274.364 0.629 20 30 CCEDHN Cn1ncc(C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)c1C#N ZINC000530292523 268131982 /nfs/dbraw/zinc/13/19/82/268131982.db2.gz KUHQPRVLECDULN-GXFFZTMASA-N 0 3 273.340 0.458 20 30 CCEDHN C=C[C@@H]1OCCC[C@H]1NCC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000333030548 275751428 /nfs/dbraw/zinc/75/14/28/275751428.db2.gz BROSLWHQELTIPF-SYQHCUMBSA-N 0 3 282.384 0.945 20 30 CCEDHN C[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)[C@H](C)[NH3+] ZINC000420443241 277625064 /nfs/dbraw/zinc/62/50/64/277625064.db2.gz QMDXRNUEZPZVSC-JGVFFNPUSA-N 0 3 298.324 0.480 20 30 CCEDHN CC(C#N)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000331565889 278182218 /nfs/dbraw/zinc/18/22/18/278182218.db2.gz QBZQGCXEJQANEW-WDEREUQCSA-N 0 3 299.338 0.321 20 30 CCEDHN CC(C)N(C)C[C@@H](C)NS(=O)(=O)N(C)CCC#N ZINC000349800646 279372431 /nfs/dbraw/zinc/37/24/31/279372431.db2.gz NZDVZTHLVRXGCF-LLVKDONJSA-N 0 3 276.406 0.395 20 30 CCEDHN C[C@H]1c2nncn2CCN1C(=O)NCCN(C)C1CC1 ZINC000330064581 280136590 /nfs/dbraw/zinc/13/65/90/280136590.db2.gz REVJRGDEYYPPDG-JTQLQIEISA-N 0 3 278.360 0.663 20 30 CCEDHN C=CCNC(=O)CNC(=O)c1cccc2c1CCNC2 ZINC000393783566 545087747 /nfs/dbraw/zinc/08/77/47/545087747.db2.gz VGHGZVPODVOWSR-UHFFFAOYSA-N 0 3 273.336 0.364 20 30 CCEDHN N#CCNC(=O)CNC[C@H](O)Cc1cccc(Cl)c1 ZINC000563012745 327756794 /nfs/dbraw/zinc/75/67/94/327756794.db2.gz YRYRDOXEXSIXJB-GFCCVEGCSA-N 0 3 281.743 0.473 20 30 CCEDHN CC1CC(C#N)(C(=O)NCCCN2CCN(C)CC2)C1 ZINC000531809160 328036572 /nfs/dbraw/zinc/03/65/72/328036572.db2.gz SBVRLZUDYZSQQW-UHFFFAOYSA-N 0 3 278.400 0.680 20 30 CCEDHN CC1CC(C#N)(C(=O)NC[C@]2(O)CN3CCC2CC3)C1 ZINC000563398514 328062052 /nfs/dbraw/zinc/06/20/52/328062052.db2.gz RVSNTKGLUDVBKL-KWCHVYNWSA-N 0 3 277.368 0.499 20 30 CCEDHN C=CCN1CCC(NC(=O)[C@H]2CCNC(=O)C2)CC1 ZINC000177551744 329185436 /nfs/dbraw/zinc/18/54/36/329185436.db2.gz XRIYJZFXPABMEF-NSHDSACASA-N 0 3 265.357 0.279 20 30 CCEDHN C[C@@H](CNS(=O)(=O)N(C)CCC#N)CN1CCCC1 ZINC000077616970 328490625 /nfs/dbraw/zinc/49/06/25/328490625.db2.gz YQMWSSNHOIDPQE-LBPRGKRZSA-N 0 3 288.417 0.398 20 30 CCEDHN C=C[C@H](CO)NCCN1C(=O)c2ccccc2C1=O ZINC000291555677 328533687 /nfs/dbraw/zinc/53/36/87/328533687.db2.gz MPQGLOIKWWHJGZ-SNVBAGLBSA-N 0 3 260.293 0.419 20 30 CCEDHN C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000583942880 326803561 /nfs/dbraw/zinc/80/35/61/326803561.db2.gz QWRAAINRRZVJBU-IHRRRGAJSA-N 0 3 283.416 0.406 20 30 CCEDHN CC1CC(C#N)(C(=O)NC[C@](C)(O)CN(C)C)C1 ZINC000533569477 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/nfs/dbraw/zinc/48/93/66/817489366.db2.gz FXPMLPUOEHHRPP-NWDGAFQWSA-N 0 3 297.399 0.341 20 30 CCEDHN C#CCCN1CC(CNC(=O)[C@@H]2CCC[C@H](C(N)=O)C2)C1 ZINC001032019612 817554533 /nfs/dbraw/zinc/55/45/33/817554533.db2.gz FXCUMLFMBQNBLI-UONOGXRCSA-N 0 3 291.395 0.349 20 30 CCEDHN C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCC1CN(C[C@H](C)O)C1 ZINC001032040798 817574562 /nfs/dbraw/zinc/57/45/62/817574562.db2.gz USVVHIVVQDJMBB-QEJZJMRPSA-N 0 3 296.411 0.787 20 30 CCEDHN C=CCCn1cc(C(=O)NCC2CN(CC)C2)nn1 ZINC001032042249 817576776 /nfs/dbraw/zinc/57/67/76/817576776.db2.gz WDGKFZKBUYSFQZ-UHFFFAOYSA-N 0 3 263.345 0.536 20 30 CCEDHN C[C@@H](C#N)C(=O)NCCN[C@@H]1CCN(C2CCC2)C1=O ZINC001124902419 817624694 /nfs/dbraw/zinc/62/46/94/817624694.db2.gz JMVNENUBJNJMSJ-CMPLNLGQSA-N 0 3 278.356 0.005 20 30 CCEDHN CCC(C)(C)NC(=O)[C@@H](C)NCCNC(=O)[C@@H](C)C#N ZINC001124908425 817632160 /nfs/dbraw/zinc/63/21/60/817632160.db2.gz KFUQUQOMCNOMJL-WDEREUQCSA-N 0 3 282.388 0.545 20 30 CCEDHN C=CCCN1CC(CNC(=O)c2cccnc2C(N)=O)C1 ZINC001032201362 817698028 /nfs/dbraw/zinc/69/80/28/817698028.db2.gz ZXOHPCHVUYMGTI-UHFFFAOYSA-N 0 3 288.351 0.418 20 30 CCEDHN C#CCN1CC(CNC(=O)[C@H]2CCCCN2CC)C1 ZINC001032207656 817703609 /nfs/dbraw/zinc/70/36/09/817703609.db2.gz XBCCBDHPJCXPKN-CQSZACIVSA-N 0 3 263.385 0.542 20 30 CCEDHN C=CCCN1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(=O)cc2C)C1 ZINC001077654304 817936133 /nfs/dbraw/zinc/93/61/33/817936133.db2.gz MNDVSBGGTZFDBR-CHWSQXEVSA-N 0 3 291.351 0.447 20 30 CCEDHN C=CC(C)(C)CC(=O)NCCN[C@H](CC)C(N)=O ZINC001128252315 818132377 /nfs/dbraw/zinc/13/23/77/818132377.db2.gz IJOUNFBMNPCNOA-SNVBAGLBSA-N 0 3 255.362 0.558 20 30 CCEDHN CC#CCNCCNC(=O)c1c(F)cncc1F ZINC001128346442 818197612 /nfs/dbraw/zinc/19/76/12/818197612.db2.gz SHEFLCVBIUSICP-UHFFFAOYSA-N 0 3 253.252 0.703 20 30 CCEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)C2=COCCO2)C1 ZINC001032879070 818335332 /nfs/dbraw/zinc/33/53/32/818335332.db2.gz HGKMFTITKNDLRC-GFCCVEGCSA-N 0 3 266.341 0.983 20 30 CCEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccnn2C)C1 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C#CCN(C)[C@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001027523635 625940274 /nfs/dbraw/zinc/94/02/74/625940274.db2.gz DRPVKUBUXHGXSM-STQMWFEESA-N 0 3 277.368 0.163 20 30 CCEDHN C[C@@H](NC[C@H]1COCCN1C)c1cc(C#N)ccn1 ZINC000903070794 634533900 /nfs/dbraw/zinc/53/39/00/634533900.db2.gz XKMOYCODGGTNNL-YPMHNXCESA-N 0 3 260.341 0.934 20 30 CCEDHN CC[C@@H](C(=O)N1CCC[C@H](N(C)CC#N)C1)N(C)C ZINC001027583083 630775343 /nfs/dbraw/zinc/77/53/43/630775343.db2.gz SFEBVZSSJXKDPC-STQMWFEESA-N 0 3 266.389 0.773 20 30 CCEDHN C#CCN(C)[C@H]1CCCN(C(=O)c2cccnn2)C1 ZINC001027625737 630811025 /nfs/dbraw/zinc/81/10/25/630811025.db2.gz SCBRGUBFNGPQLX-LBPRGKRZSA-N 0 3 258.325 0.646 20 30 CCEDHN C=CCN(C)[C@H]1CCCN(C(=O)C(=O)N2CC[C@H](C)C2)C1 ZINC001027643795 630828458 /nfs/dbraw/zinc/82/84/58/630828458.db2.gz RANGZPBWAJWYKU-KBPBESRZSA-N 0 3 293.411 0.964 20 30 CCEDHN N#Cc1c[nH]c(C(=O)NC[C@@H]2CCCN2CCO)c1 ZINC001027814687 630941877 /nfs/dbraw/zinc/94/18/77/630941877.db2.gz PYAXFIBSDIEALK-NSHDSACASA-N 0 3 262.313 0.073 20 30 CCEDHN Cn1cncc1CN[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000968442224 650015179 /nfs/dbraw/zinc/01/51/79/650015179.db2.gz UBMILEOBYMSBHN-GFCCVEGCSA-N 0 3 298.350 0.624 20 30 CCEDHN COCCNC(=O)C(C#N)C(=O)C[C@@H](C)SC ZINC000178879762 631605510 /nfs/dbraw/zinc/60/55/10/631605510.db2.gz CYBSAAKFOSCIIS-RKDXNWHRSA-N 0 3 258.343 0.599 20 30 CCEDHN Cn1cncc1CN[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000968626751 650024041 /nfs/dbraw/zinc/02/40/41/650024041.db2.gz AJIMZIMMWWIJHC-CYBMUJFWSA-N 0 3 272.352 0.524 20 30 CCEDHN Cc1cc(F)ncc1CNCCn1cnc(C#N)n1 ZINC000894419032 631760415 /nfs/dbraw/zinc/76/04/15/631760415.db2.gz AJZBGAIORIWZAM-UHFFFAOYSA-N 0 3 260.276 0.782 20 30 CCEDHN CC(C)(C#N)CC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000889754370 631895774 /nfs/dbraw/zinc/89/57/74/631895774.db2.gz ABQGVAIZAYSEIO-QWHCGFSZSA-N 0 3 279.384 0.984 20 30 CCEDHN N#Cc1cccc(CN[C@@H](CO)C[C@H]2CCCO2)n1 ZINC000895749809 632145510 /nfs/dbraw/zinc/14/55/10/632145510.db2.gz VSRZNQRHGSMQFA-ZIAGYGMSSA-N 0 3 261.325 0.973 20 30 CCEDHN Cn1ncc(C#N)c1N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000897218479 632422057 /nfs/dbraw/zinc/42/20/57/632422057.db2.gz DEUBWRPTBGTBPY-OLZOCXBDSA-N 0 3 275.356 0.327 20 30 CCEDHN N#Cc1nccc(N2CC[C@@H]3[C@H]2CCCN3CCO)n1 ZINC000897219823 632422159 /nfs/dbraw/zinc/42/21/59/632422159.db2.gz OSQQSKWYFSHPRW-VXGBXAGGSA-N 0 3 273.340 0.384 20 30 CCEDHN CN(C)[C@@H](C(=O)N1CCC(N(C)CC#N)CC1)C1CC1 ZINC000985468716 632502476 /nfs/dbraw/zinc/50/24/76/632502476.db2.gz AGMYLYAWKVQJPP-CQSZACIVSA-N 0 3 278.400 0.773 20 30 CCEDHN C#CCCN1CCC[C@@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001007304067 650073812 /nfs/dbraw/zinc/07/38/12/650073812.db2.gz ATGLOJYEISKWKP-GFCCVEGCSA-N 0 3 275.356 0.260 20 30 CCEDHN C=C(C)CN1CCC[C@H](NC(=O)CN2CCOCC2=O)C1 ZINC001007505227 650081374 /nfs/dbraw/zinc/08/13/74/650081374.db2.gz WZBOZPGUIGPUKW-ZDUSSCGKSA-N 0 3 295.383 0.002 20 30 CCEDHN N#CC[C@@H](NC(=O)[C@@H]1CN2CCN1CCC2)C(F)(F)F ZINC000928812488 632616684 /nfs/dbraw/zinc/61/66/84/632616684.db2.gz QKFULLATQPANTK-VHSXEESVSA-N 0 3 290.289 0.337 20 30 CCEDHN C#CCCN1CCC[C@H](NC(=O)C[C@H]2CCCC(=O)N2)C1 ZINC001007878556 650096278 /nfs/dbraw/zinc/09/62/78/650096278.db2.gz VVUNUFWQPWQCRM-KGLIPLIRSA-N 0 3 291.395 0.649 20 30 CCEDHN C=C1CCC(C(=O)N2CC[C@@H](NCC(N)=O)[C@H]2C)CC1 ZINC000986850522 632804207 /nfs/dbraw/zinc/80/42/07/632804207.db2.gz AWZUENFGJWHARW-DGCLKSJQSA-N 0 3 279.384 0.797 20 30 CCEDHN C#CCN[C@H]1CCN(C(=O)C2CCS(=O)(=O)CC2)[C@@H]1C ZINC000987106957 632824159 /nfs/dbraw/zinc/82/41/59/632824159.db2.gz FRCFLOKLPVBENT-YPMHNXCESA-N 0 3 298.408 0.023 20 30 CCEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cc(CC)n[nH]2)C1 ZINC000988099498 632947157 /nfs/dbraw/zinc/94/71/57/632947157.db2.gz FKBBYOOKMWROIH-JQWIXIFHSA-N 0 3 260.341 0.798 20 30 CCEDHN C#CCN[C@H]1C[C@@H](C)N(C(=O)c2cncnc2C)C1 ZINC000988217814 632963979 /nfs/dbraw/zinc/96/39/79/632963979.db2.gz OKQQKFGYWLBSAW-PWSUYJOCSA-N 0 3 258.325 0.611 20 30 CCEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cnnn2CC)C1 ZINC000988799382 633115071 /nfs/dbraw/zinc/11/50/71/633115071.db2.gz CAVJEXHTPLTYEH-QWRGUYRKSA-N 0 3 261.329 0.124 20 30 CCEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)CCc2ccnn2C)C1 ZINC000988925207 633127176 /nfs/dbraw/zinc/12/71/76/633127176.db2.gz XOMGOIAQVNJYCH-STQMWFEESA-N 0 3 274.368 0.565 20 30 CCEDHN C=CCN1CCC[C@H](NC(=O)[C@H]2CCCc3n[nH]nc32)C1 ZINC001008337275 650110531 /nfs/dbraw/zinc/11/05/31/650110531.db2.gz DCLHLVYLOLJBJA-RYUDHWBXSA-N 0 3 289.383 0.991 20 30 CCEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(N(C)C)nc2)C1 ZINC000989081719 633147026 /nfs/dbraw/zinc/14/70/26/633147026.db2.gz GWVZEWNUUKEZEP-GXTWGEPZSA-N 0 3 286.379 0.973 20 30 CCEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2ccnnc2C)C1 ZINC000989113513 633152700 /nfs/dbraw/zinc/15/27/00/633152700.db2.gz UBYLZGXVDCGDKC-JQWIXIFHSA-N 0 3 258.325 0.611 20 30 CCEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cn(C)ccc2=O)C1 ZINC000989149180 633158017 /nfs/dbraw/zinc/15/80/17/633158017.db2.gz HNEVWAPTOOZJNQ-NWDGAFQWSA-N 0 3 273.336 0.211 20 30 CCEDHN C[C@@H]1C[C@@H](NCc2ccc(C#N)cc2)CN1C(=O)C(N)=O ZINC000989380137 633204370 /nfs/dbraw/zinc/20/43/70/633204370.db2.gz LKFNIOLOGBPWAX-ZWNOBZJWSA-N 0 3 286.335 0.123 20 30 CCEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2n[nH]cc2F)C1 ZINC000989416555 633216862 /nfs/dbraw/zinc/21/68/62/633216862.db2.gz CFAJRMMMWMEJTP-RKDXNWHRSA-N 0 3 250.277 0.375 20 30 CCEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cncc(C#C)c2)C1 ZINC000989429030 633220638 /nfs/dbraw/zinc/22/06/38/633220638.db2.gz IJZKQVIYYYGZEI-IUODEOHRSA-N 0 3 267.332 0.889 20 30 CCEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2cccc(=O)n2C)C1 ZINC000989436350 633230412 /nfs/dbraw/zinc/23/04/12/633230412.db2.gz CLRLCOJVRDWBEZ-RYUDHWBXSA-N 0 3 273.336 0.211 20 30 CCEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2c[nH]c(=O)cc2OC)C1 ZINC000989465527 633310910 /nfs/dbraw/zinc/31/09/10/633310910.db2.gz KBRAMSGFZCNRRG-WDEREUQCSA-N 0 3 289.335 0.622 20 30 CCEDHN C#CCCN1CCCN(C(=O)[C@@H]2CCCN2C(C)=O)CC1 ZINC000989520149 633323409 /nfs/dbraw/zinc/32/34/09/633323409.db2.gz WWQMLJUFGPDXHM-HNNXBMFYSA-N 0 3 291.395 0.555 20 30 CCEDHN C#CCN[C@H]1C[C@H](C)N(C(=O)c2conc2COC)C1 ZINC000989665917 633340763 /nfs/dbraw/zinc/34/07/63/633340763.db2.gz WMVGGFCXYYTVDS-QWRGUYRKSA-N 0 3 277.324 0.647 20 30 CCEDHN C#CCN[C@@H]1C[C@@H](C)N(C(=O)c2ncccc2OC)C1 ZINC000989724138 633348388 /nfs/dbraw/zinc/34/83/88/633348388.db2.gz WKBKYAQRUKYNRN-VXGBXAGGSA-N 0 3 273.336 0.916 20 30 CCEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)Cn2c(C)csc2=O)C1 ZINC000989786333 633354042 /nfs/dbraw/zinc/35/40/42/633354042.db2.gz PHZHFCYAVRJBGJ-CMPLNLGQSA-N 0 3 293.392 0.430 20 30 CCEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2ccc(C(N)=O)cn2)C1 ZINC000989849920 633366925 /nfs/dbraw/zinc/36/69/25/633366925.db2.gz IQKVHRDIHJWDRH-CMPLNLGQSA-N 0 3 286.335 0.006 20 30 CCEDHN C#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc(C(N)=O)ccn2)C1 ZINC000989874210 633373503 /nfs/dbraw/zinc/37/35/03/633373503.db2.gz UBOICZDPNZXQCC-CMPLNLGQSA-N 0 3 286.335 0.006 20 30 CCEDHN C#CCN1CC[C@]2(NC(=O)[C@H]3CCCN3C)CCC[C@H]12 ZINC000990027685 633407748 /nfs/dbraw/zinc/40/77/48/633407748.db2.gz VYAMGFDBZNIPBQ-IJEWVQPXSA-N 0 3 275.396 0.827 20 30 CCEDHN C#CCCN1CCC[C@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC001008857669 650129578 /nfs/dbraw/zinc/12/95/78/650129578.db2.gz XDWCFYGHMMYFFT-STQMWFEESA-N 0 3 277.368 0.259 20 30 CCEDHN C#CCCN1CC[C@@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC001010366487 650207300 /nfs/dbraw/zinc/20/73/00/650207300.db2.gz LONZWDFQYDCEJD-CHWSQXEVSA-N 0 3 250.342 0.627 20 30 CCEDHN C#CCCN1CC[C@H](NC(=O)C[C@H]2COC(=O)C2)C1 ZINC001010568892 650242797 /nfs/dbraw/zinc/24/27/97/650242797.db2.gz VTQDOCFKPGZBMY-NEPJUHHUSA-N 0 3 264.325 0.153 20 30 CCEDHN C=C(C)CN1CC[C@H](NC(=O)CC2OCCCO2)C1 ZINC001010735252 650259035 /nfs/dbraw/zinc/25/90/35/650259035.db2.gz LCAQFXLWOIKSJD-LBPRGKRZSA-N 0 3 268.357 0.906 20 30 CCEDHN C[C@@H]1C(=O)N(CCN(C)C)CN1c1ccnc(C#N)c1 ZINC000912229014 636528290 /nfs/dbraw/zinc/52/82/90/636528290.db2.gz DNTCEYPTXSFHHY-LLVKDONJSA-N 0 3 273.340 0.509 20 30 CCEDHN C=C(Br)CN1C(=O)N[C@@H](CN(C)C)C1=O ZINC000924850211 636679169 /nfs/dbraw/zinc/67/91/69/636679169.db2.gz RICOWOGHUHCTIF-ZETCQYMHSA-N 0 3 276.134 0.377 20 30 CCEDHN COCCCNC(=O)C(C#N)C(=O)[C@H]1CCCOC1 ZINC000171034697 637113005 /nfs/dbraw/zinc/11/30/05/637113005.db2.gz RTRIBBHAOILNKC-QWRGUYRKSA-N 0 3 268.313 0.275 20 30 CCEDHN CNC(=O)C(C#N)C(=O)[C@@H](C)n1nnc(-c2ccccc2)n1 ZINC000173991273 637238359 /nfs/dbraw/zinc/23/83/59/637238359.db2.gz NNAMJNVSGNKNRM-KOLCDFICSA-N 0 3 298.306 0.356 20 30 CCEDHN C#CCCN1CC[C@H](NC(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001014998426 637288674 /nfs/dbraw/zinc/28/86/74/637288674.db2.gz BIVYGVUIWGCDLX-KBPBESRZSA-N 0 3 286.379 0.659 20 30 CCEDHN C#CCN1CC[C@@]2(NC(=O)Cc3cnoc3)CCC[C@@H]12 ZINC000992133692 637315715 /nfs/dbraw/zinc/31/57/15/637315715.db2.gz UTTRJRWIEQBPKU-HIFRSBDPSA-N 0 3 273.336 0.964 20 30 CCEDHN C#CCN1CC[C@]2(NC(=O)C[C@@H]3CCC(=O)N3)CCC[C@H]12 ZINC000992334839 637368143 /nfs/dbraw/zinc/36/81/43/637368143.db2.gz GXXOTHORRMIICV-HEHGZKQESA-N 0 3 289.379 0.402 20 30 CCEDHN COc1ccc(CNC[C@@](C)(O)CO)cc1C#N ZINC000090287157 637377566 /nfs/dbraw/zinc/37/75/66/637377566.db2.gz BZJCXTTULVABOH-CYBMUJFWSA-N 0 3 250.298 0.400 20 30 CCEDHN C[C@H](CC#N)NS(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000914015311 637489387 /nfs/dbraw/zinc/48/93/87/637489387.db2.gz FROIVTPBGIKMDC-NEPJUHHUSA-N 0 3 271.386 0.694 20 30 CCEDHN C[C@@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CCCN1CCO ZINC000993166518 637722296 /nfs/dbraw/zinc/72/22/96/637722296.db2.gz CSEOKLOMQQLFKH-ZYHUDNBSSA-N 0 3 276.340 0.461 20 30 CCEDHN C#CCCN1CCC[C@H](NC(=O)c2cnn(CC)n2)[C@H]1C ZINC000993276957 637764252 /nfs/dbraw/zinc/76/42/52/637764252.db2.gz GKYSKRYSWKVDSC-OLZOCXBDSA-N 0 3 289.383 0.904 20 30 CCEDHN C=CCN1CCC[C@@H](NC(=O)CN2C(=O)CCC2=O)[C@@H]1C ZINC000994376256 637923823 /nfs/dbraw/zinc/92/38/23/637923823.db2.gz NFYVVGFCODKOSA-NWDGAFQWSA-N 0 3 293.367 0.291 20 30 CCEDHN CNC(=O)C(C#N)C(=O)Cc1cccc(F)c1F ZINC000181013953 638299123 /nfs/dbraw/zinc/29/91/23/638299123.db2.gz YHYRDUBTXGRKEV-MRVPVSSYSA-N 0 3 252.220 0.962 20 30 CCEDHN CN(C)[C@@H](C(=O)N1C[C@H](NCC#N)C(C)(C)C1)C1CC1 ZINC000995899368 638803828 /nfs/dbraw/zinc/80/38/28/638803828.db2.gz WEZHFGAGVDSLPD-QWHCGFSZSA-N 0 3 278.400 0.677 20 30 CCEDHN C#CC[NH2+]C1CCN(C(=O)c2cnc[n-]c2=O)CC1 ZINC000996702250 638829027 /nfs/dbraw/zinc/82/90/27/638829027.db2.gz AFCQYSVIGSKXGJ-UHFFFAOYSA-N 0 3 260.297 0.010 20 30 CCEDHN C#CCN1CCC([C@@H](C)NC(=O)[C@@H]2COCCN2C)CC1 ZINC000997023540 638848590 /nfs/dbraw/zinc/84/85/90/638848590.db2.gz PSEWVDRFLRKKPG-HIFRSBDPSA-N 0 3 293.411 0.167 20 30 CCEDHN C#CCN1CCC([C@H](C)NC(=O)[C@@H]2CCC(=O)N2C)CC1 ZINC000997712734 638881050 /nfs/dbraw/zinc/88/10/50/638881050.db2.gz JVQJNWXPRLFRLL-JSGCOSHPSA-N 0 3 291.395 0.457 20 30 CCEDHN CC(C)N1CCC[C@H]1C(=O)N1CCC[C@@H](NCC#N)C1 ZINC000999143755 638962739 /nfs/dbraw/zinc/96/27/39/638962739.db2.gz IRBLVCLAKOXWIF-KGLIPLIRSA-N 0 3 278.400 0.963 20 30 CCEDHN CN(C)[C@H](C(=O)N1CCC[C@H](NCC#N)C1)C1CC1 ZINC000999368093 638977888 /nfs/dbraw/zinc/97/78/88/638977888.db2.gz FTQAJJSIELYHOH-STQMWFEESA-N 0 3 264.373 0.431 20 30 CCEDHN C[C@H]1CCN(CC(=O)N(C)C2CC(NCC#N)C2)C1 ZINC000999402599 638980578 /nfs/dbraw/zinc/98/05/78/638980578.db2.gz HFNLVRFIDGSWJY-HIFPTAJRSA-N 0 3 264.373 0.431 20 30 CCEDHN C=CCN1CC[C@H](n2cc(CNC(=O)C3CC3)nn2)C1 ZINC000999938890 639016316 /nfs/dbraw/zinc/01/63/16/639016316.db2.gz OMWGBDJXXRKNJS-ZDUSSCGKSA-N 0 3 275.356 0.737 20 30 CCEDHN C=CC(C)(C)C(=O)N1CCC[C@@H](NCC(N)=O)C1 ZINC000999902150 639016645 /nfs/dbraw/zinc/01/66/45/639016645.db2.gz YCPGHLVRRAQADE-SNVBAGLBSA-N 0 3 253.346 0.265 20 30 CCEDHN C#CCN1CCC(C2(NC(=O)[C@H]3CCNC3=O)CC2)CC1 ZINC001000224536 639056935 /nfs/dbraw/zinc/05/69/35/639056935.db2.gz SPRGLXHKZBZERW-ZDUSSCGKSA-N 0 3 289.379 0.117 20 30 CCEDHN C#CCN[C@H]1CCCN(C(=O)[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001000356682 639076907 /nfs/dbraw/zinc/07/69/07/639076907.db2.gz QPAHIYOFQSVPKG-OLZOCXBDSA-N 0 3 298.408 0.025 20 30 CCEDHN C=CCN1CC=C(CNC(=O)[C@@H]2COC(=O)N2)CC1 ZINC001000638197 639145337 /nfs/dbraw/zinc/14/53/37/639145337.db2.gz 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MDYHAWLIPFOYRD-UHFFFAOYSA-N 0 3 275.356 0.846 20 30 CCEDHN CC#CCN1CCC(CNC(=O)c2cncnc2)CC1 ZINC001001335514 639284611 /nfs/dbraw/zinc/28/46/11/639284611.db2.gz VGBICFCTERROQY-UHFFFAOYSA-N 0 3 272.352 0.942 20 30 CCEDHN C#CCN1CCC(CNC(=O)c2ccc3nnnn3c2)CC1 ZINC001001631531 639323923 /nfs/dbraw/zinc/32/39/23/639323923.db2.gz HBVZAALSENDNKI-UHFFFAOYSA-N 0 3 298.350 0.199 20 30 CCEDHN C#CCN1CCC(CNC(=O)[C@H]2CCC(=O)N2C)CC1 ZINC001001746166 639333580 /nfs/dbraw/zinc/33/35/80/639333580.db2.gz OCEBKXNNQFQXAI-CYBMUJFWSA-N 0 3 277.368 0.069 20 30 CCEDHN C#CCN1CCC(CNC(=O)c2cc3ncccn3n2)CC1 ZINC001001957778 639349859 /nfs/dbraw/zinc/34/98/59/639349859.db2.gz UWMCUDNQYAIODZ-UHFFFAOYSA-N 0 3 297.362 0.804 20 30 CCEDHN C=CCN1CCC(NC(=O)Cc2nnc(C)o2)CC1 ZINC001002746105 639453119 /nfs/dbraw/zinc/45/31/19/639453119.db2.gz LINKLQMJTINILX-UHFFFAOYSA-N 0 3 264.329 0.687 20 30 CCEDHN Cc1oc(C#N)cc1C(=O)NCCN(C)CCOCCO ZINC000922115346 639490656 /nfs/dbraw/zinc/49/06/56/639490656.db2.gz AFUXVLIZALKFGA-UHFFFAOYSA-N 0 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CN(CC(=O)N1CC[C@H]2CN(CC#N)C[C@H]21)C1CCC1 ZINC001075887518 814878768 /nfs/dbraw/zinc/87/87/68/814878768.db2.gz RIUGZDFSLDECEJ-GXTWGEPZSA-N 0 3 276.384 0.527 20 30 CCEDHN C=C(C)CCN1C[C@@H](NC(=O)c2cc(F)c[nH]2)[C@@H](O)C1 ZINC001083650904 815609396 /nfs/dbraw/zinc/60/93/96/815609396.db2.gz UAEDAHACRVZFMS-OLZOCXBDSA-N 0 3 281.331 0.895 20 30 CCEDHN O[C@H](CNCC#C[C@H]1CCCCO1)C1(O)CCCC1 ZINC001120610403 816160494 /nfs/dbraw/zinc/16/04/94/816160494.db2.gz MUGKLOHJKQZVNV-ZIAGYGMSSA-N 0 3 267.369 0.815 20 30 CCEDHN C#CCCN1CC[C@H](NC(=O)c2nc3ncccn3n2)[C@H]1C ZINC001088931783 816181587 /nfs/dbraw/zinc/18/15/87/816181587.db2.gz VIWWPSBFGQCHRJ-NEPJUHHUSA-N 0 3 298.350 0.340 20 30 CCEDHN C=C[C@](C)(O)CC(=O)N[C@@H]1CN(CCCC)C[C@H]1OC ZINC001212193417 816205719 /nfs/dbraw/zinc/20/57/19/816205719.db2.gz FBVCFDVCOHBOCZ-NFAWXSAZSA-N 0 3 284.400 0.929 20 30 CCEDHN C#Cc1ccc(C(=O)N[C@H]2CCN(C[C@@H](C)O)[C@@H]2C)nc1 ZINC001088990724 816206411 /nfs/dbraw/zinc/20/64/11/816206411.db2.gz MSERTFCTUAISNJ-BZPMIXESSA-N 0 3 287.363 0.636 20 30 CCEDHN C=C[C@](C)(O)CC(=O)N[C@@H]1CN(CCC)C[C@H]1OC ZINC001212194358 816211649 /nfs/dbraw/zinc/21/16/49/816211649.db2.gz QSTRCPVTMKZTDQ-BZPMIXESSA-N 0 3 270.373 0.539 20 30 CCEDHN CC#CCN1CC[C@H](N2CCN(C(=O)C3CC3)CC2)C1 ZINC001045991896 816260279 /nfs/dbraw/zinc/26/02/79/816260279.db2.gz DYBQZUUISMLUAF-HNNXBMFYSA-N 0 3 275.396 0.638 20 30 CCEDHN C=CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC001045999634 816267618 /nfs/dbraw/zinc/26/76/18/816267618.db2.gz JZVNVEHPTAPALK-CABCVRRESA-N 0 3 293.411 0.570 20 30 CCEDHN C#CCNCCN(CCO)C(=O)Cc1csc(C)n1 ZINC001272307083 816293217 /nfs/dbraw/zinc/29/32/17/816293217.db2.gz KATNUFDXMNNWTC-UHFFFAOYSA-N 0 3 281.381 0.038 20 30 CCEDHN CC#CCNCCN(CCO)C(=O)c1cnc(CC)s1 ZINC001272321758 816312505 /nfs/dbraw/zinc/31/25/05/816312505.db2.gz IQIVBZYNTSGGTJ-UHFFFAOYSA-N 0 3 295.408 0.753 20 30 CCEDHN C#CCN1CC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]3CC)CC2)C1 ZINC001046065517 816334366 /nfs/dbraw/zinc/33/43/66/816334366.db2.gz QNTFSOXTYKNQKO-OWCLPIDISA-N 0 3 289.423 0.884 20 30 CCEDHN COCC#CCNC[C@H](O)CNC(=O)CCC1CCC1 ZINC001272389421 816383163 /nfs/dbraw/zinc/38/31/63/816383163.db2.gz NEFVTVJRFTZTKV-AWEZNQCLSA-N 0 3 282.384 0.283 20 30 CCEDHN N#CCc1cc(NCC2(N3CCCC3)COC2)ccn1 ZINC001168447152 816539622 /nfs/dbraw/zinc/53/96/22/816539622.db2.gz APMFEMUNAJZPMY-UHFFFAOYSA-N 0 3 272.352 0.846 20 30 CCEDHN C=CCC(C)(C)C(=O)NC[C@@H](O)CNCC#CCOC ZINC001272529440 816553059 /nfs/dbraw/zinc/55/30/59/816553059.db2.gz KRHQUUDQKJXWBM-ZDUSSCGKSA-N 0 3 282.384 0.305 20 30 CCEDHN C#CCN1CC[C@]2(CCN(Cc3cc(C)n[nH]3)C2)C1=O ZINC001272542716 816567853 /nfs/dbraw/zinc/56/78/53/816567853.db2.gz FUOFGXSUDCODSN-HNNXBMFYSA-N 0 3 272.352 0.776 20 30 CCEDHN C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CCCN1CCO ZINC000993200659 816813545 /nfs/dbraw/zinc/81/35/45/816813545.db2.gz NWSPKVMPTQPLGH-GWCFXTLKSA-N 0 3 276.340 0.461 20 30 CCEDHN N#CCc1ccccc1CN1CC[C@@H](CO)[C@@H](O)C1 ZINC001235510682 816886139 /nfs/dbraw/zinc/88/61/39/816886139.db2.gz CQLRBDPXGZKQFO-GJZGRUSLSA-N 0 3 260.337 0.928 20 30 CCEDHN C=CCCN1C[C@@H](NC(=O)CC(C)(C)O)[C@H](OC)C1 ZINC001212209154 816912255 /nfs/dbraw/zinc/91/22/55/816912255.db2.gz QHMLIAKOAWGYSL-VXGBXAGGSA-N 0 3 270.373 0.539 20 30 CCEDHN C=CCN1C[C@@H]2CCC[C@]2(NC(=O)CN2CN=NC2=O)C1 ZINC001098798621 816970038 /nfs/dbraw/zinc/97/00/38/816970038.db2.gz CPCDPIQXRBKXLB-FZMZJTMJSA-N 0 3 291.355 0.140 20 30 CCEDHN CO[C@H](C)CN1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001031604082 817178367 /nfs/dbraw/zinc/17/83/67/817178367.db2.gz GJYAJDJVKACPAW-SNVBAGLBSA-N 0 3 276.340 0.583 20 30 CCEDHN C#CCN1CC[C@H](NC(=O)Cn2cncn2)CC(C)(C)C1 ZINC001089556740 817192779 /nfs/dbraw/zinc/19/27/79/817192779.db2.gz UURUBWXLZMOILA-ZDUSSCGKSA-N 0 3 289.383 0.518 20 30 CCEDHN COCC#CCNCCNC(=O)c1ccnn1C1CCC1 ZINC001127535006 817215437 /nfs/dbraw/zinc/21/54/37/817215437.db2.gz YFRXCJOXWRHGBP-UHFFFAOYSA-N 0 3 290.367 0.577 20 30 CCEDHN C#CCCN1CC(CNC(=O)[C@H]2CC(=O)N(C(C)C)C2)C1 ZINC001031710746 817273746 /nfs/dbraw/zinc/27/37/46/817273746.db2.gz UPEHFJDUGNLRQP-AWEZNQCLSA-N 0 3 291.395 0.315 20 30 CCEDHN C=CCCN1C[C@@H](NC(=O)Cc2occc2C)[C@@H](O)C1 ZINC001083763789 817284592 /nfs/dbraw/zinc/28/45/92/817284592.db2.gz BRXKZDHZIOQPAV-OLZOCXBDSA-N 0 3 278.352 0.868 20 30 CCEDHN C=CCN1CC(CNC(=O)[C@@H]2CCCCN2C)C1 ZINC001031774194 817356422 /nfs/dbraw/zinc/35/64/22/817356422.db2.gz RMAWAMXPBSXABT-ZDUSSCGKSA-N 0 3 251.374 0.705 20 30 CCEDHN C#CCCN1CC(CNC(=O)[C@H]2CCn3ccnc3C2)C1 ZINC001031784564 817362822 /nfs/dbraw/zinc/36/28/22/817362822.db2.gz VHHIRLIBNBLUFY-AWEZNQCLSA-N 0 3 286.379 0.517 20 30 CCEDHN C#CC[N@@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1[n-]nnc1C ZINC001089847514 817427191 /nfs/dbraw/zinc/42/71/91/817427191.db2.gz VIXMJPKYLZGIBX-CRWXNKLISA-N 0 3 299.378 0.529 20 30 CCEDHN C#CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)c1[n-]nnc1C ZINC001089847514 817427196 /nfs/dbraw/zinc/42/71/96/817427196.db2.gz VIXMJPKYLZGIBX-CRWXNKLISA-N 0 3 299.378 0.529 20 30 CCEDHN C=CCCO[C@@H](C)C(=O)NCCN[C@H]1CCCN(C)C1=O ZINC001124488213 817487758 /nfs/dbraw/zinc/48/77/58/817487758.db2.gz LJUSWNABCGXLLG-STQMWFEESA-N 0 3 297.399 0.294 20 30 CCEDHN C=CCn1cc(C(=O)NCC2CN([C@@H](C)COC)C2)nn1 ZINC001032034718 817566463 /nfs/dbraw/zinc/56/64/63/817566463.db2.gz BQWGNHBLNCVKHF-NSHDSACASA-N 0 3 293.371 0.161 20 30 CCEDHN C=CCOCC(=O)NCCNCC(=O)N1CCCCCC1 ZINC001124765340 817568492 /nfs/dbraw/zinc/56/84/92/817568492.db2.gz UHDNABCYYHVVNF-UHFFFAOYSA-N 0 3 297.399 0.297 20 30 CCEDHN N#CCN1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)Cc2c[nH]cn2)C1 ZINC001089870257 817580251 /nfs/dbraw/zinc/58/02/51/817580251.db2.gz RKEDXNVIDMWPHE-MXAVVETBSA-N 0 3 299.378 0.645 20 30 CCEDHN C#CCCN1CC(CNC(=O)[C@@H]2CCO[C@H](C)C2)C1 ZINC001032078735 817608910 /nfs/dbraw/zinc/60/89/10/817608910.db2.gz XRXMBGCVMAAWKZ-TZMCWYRMSA-N 0 3 264.369 0.873 20 30 CCEDHN C#CCCN1CC(CNC(=O)c2cccc(C(=O)NC)c2)C1 ZINC001032196654 817694324 /nfs/dbraw/zinc/69/43/24/817694324.db2.gz VSCFKKLUUXOEKG-UHFFFAOYSA-N 0 3 299.374 0.731 20 30 CCEDHN C=CCNC(=O)[C@@H](C)NCCNC(=O)COCCCC ZINC001125103528 817705331 /nfs/dbraw/zinc/70/53/31/817705331.db2.gz GMQINUMAWSEJOF-GFCCVEGCSA-N 0 3 285.388 0.200 20 30 CCEDHN C#CCNC(=O)[C@@H](C)NCCNC(=O)CCC(F)(F)F ZINC001125255948 817750281 /nfs/dbraw/zinc/75/02/81/817750281.db2.gz PJJCKVPWKBAUQA-SECBINFHSA-N 0 3 293.289 0.173 20 30 CCEDHN C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCN1C ZINC001032313958 817844716 /nfs/dbraw/zinc/84/47/16/817844716.db2.gz QMKWDWRWVSQELZ-IHRRRGAJSA-N 0 3 263.385 0.942 20 30 CCEDHN C[C@H](C#N)C(=O)N[C@H]1CN(CCO)CC2(CCOCC2)C1 ZINC001099574825 817952057 /nfs/dbraw/zinc/95/20/57/817952057.db2.gz NKVJQXRLNMKKAR-CHWSQXEVSA-N 0 3 295.383 0.126 20 30 CCEDHN C=C(Cl)C(C)(C)C(=O)NCCN[C@@H](C)C(=O)N(C)C ZINC001128190750 818112852 /nfs/dbraw/zinc/11/28/52/818112852.db2.gz XKFYJMMLEFTOEX-VIFPVBQESA-N 0 3 289.807 0.948 20 30 CCEDHN C=CCN1CCC(NC(=O)C(=O)NCC=C(C)C)CC1 ZINC001117276593 818239290 /nfs/dbraw/zinc/23/92/90/818239290.db2.gz RGAXDEQJMZXMMS-UHFFFAOYSA-N 0 3 279.384 0.835 20 30 CCEDHN C#CCCN1CC[C@@H](NC(=O)c2ccncc2)[C@H](O)C1 ZINC001090016616 818277933 /nfs/dbraw/zinc/27/79/33/818277933.db2.gz MKZYRCJFRSPGKV-ZIAGYGMSSA-N 0 3 273.336 0.270 20 30 CCEDHN C#CCCN1CC[C@H](NC(=O)Cc2cccs2)[C@H](O)C1 ZINC001090020114 818279117 /nfs/dbraw/zinc/27/91/17/818279117.db2.gz KAQVHLZRCBOBJD-UONOGXRCSA-N 0 3 292.404 0.865 20 30 CCEDHN C#CCCN1CC[C@@H](NC(=O)c2ccco2)[C@H](O)C1 ZINC001090021920 818281202 /nfs/dbraw/zinc/28/12/02/818281202.db2.gz XMVGGZLYLBEUOK-VXGBXAGGSA-N 0 3 262.309 0.468 20 30 CCEDHN C#CCCN1CC[C@@H](NC(=O)Cc2ccsc2)[C@H](O)C1 ZINC001090046281 818340490 /nfs/dbraw/zinc/34/04/90/818340490.db2.gz NYUZGGFTBCMWMD-ZIAGYGMSSA-N 0 3 292.404 0.865 20 30 CCEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2COCCO2)C1 ZINC001032922647 818364029 /nfs/dbraw/zinc/36/40/29/818364029.db2.gz WSXRMLCXRTWUAY-STQMWFEESA-N 0 3 268.357 0.511 20 30 CCEDHN C#CCCN1CC[C@H](N(C)C(=O)Cc2cnn(C)c2)C1 ZINC001032954288 818383913 /nfs/dbraw/zinc/38/39/13/818383913.db2.gz VENAOBZPHKYOKU-AWEZNQCLSA-N 0 3 274.368 0.519 20 30 CCEDHN CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCN(CCCO)C1 ZINC001033012398 818422891 /nfs/dbraw/zinc/42/28/91/818422891.db2.gz UIWJBRFQOYNOEX-GFCCVEGCSA-N 0 3 276.340 0.415 20 30 CCEDHN C=C(C)CN1CC[C@@H](N(C)C(=O)[C@H]2COCCN2C)C1 ZINC001033018549 818426424 /nfs/dbraw/zinc/42/64/24/818426424.db2.gz RFXQJPSABNLNNM-ZIAGYGMSSA-N 0 3 281.400 0.426 20 30 CCEDHN C[C@H](O)CN1CC[C@H](N(C)C(=O)c2c[nH]c(C#N)c2)C1 ZINC001033022829 818431845 /nfs/dbraw/zinc/43/18/45/818431845.db2.gz KPPALRQXUHTGOS-GWCFXTLKSA-N 0 3 276.340 0.413 20 30 CCEDHN C=C(C)CN1CC[C@@H](NC(=O)c2ccc[nH]2)[C@H](O)C1 ZINC001090069643 818455938 /nfs/dbraw/zinc/45/59/38/818455938.db2.gz RMTFFBAOVSHVTA-DGCLKSJQSA-N 0 3 263.341 0.756 20 30 CCEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2cn3c(n2)CCC3)C1 ZINC001033091070 818508855 /nfs/dbraw/zinc/50/88/55/818508855.db2.gz VKTVBZRLKLKUFD-CYBMUJFWSA-N 0 3 286.379 0.999 20 30 CCEDHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1cnon1 ZINC001273082783 818584463 /nfs/dbraw/zinc/58/44/63/818584463.db2.gz JZVXSYKDGRIGGF-MRVPVSSYSA-N 0 3 258.709 0.920 20 30 CCEDHN C#CCCN1CC[C@@H](N(C)C(=O)C[C@H]2CCNC2=O)C1 ZINC001033138664 818562301 /nfs/dbraw/zinc/56/23/01/818562301.db2.gz JFSWAIVTXZDXDX-CHWSQXEVSA-N 0 3 277.368 0.069 20 30 CCEDHN C=CCN1CC[C@@H](N(C)C(=O)c2cn[nH]c(=O)c2)C1 ZINC001033166220 818594539 /nfs/dbraw/zinc/59/45/39/818594539.db2.gz SPIBVMUUSADQRU-LLVKDONJSA-N 0 3 262.313 0.515 20 30 CCEDHN CC#CCN1CC[C@@H](N(C)C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001033183902 818633400 /nfs/dbraw/zinc/63/34/00/818633400.db2.gz HCVSDHREFFWSCL-RBSFLKMASA-N 0 3 293.411 0.262 20 30 CCEDHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@@H]2CCN(C)C(=O)C2)C1 ZINC001033202164 818647470 /nfs/dbraw/zinc/64/74/70/818647470.db2.gz FNYQHGASLRIMPY-KGLIPLIRSA-N 0 3 293.411 0.964 20 30 CCEDHN C#CCCN1CC[C@@H](N(C)C(=O)c2ccn(C)c(=O)c2)C1 ZINC001033207634 818651943 /nfs/dbraw/zinc/65/19/43/818651943.db2.gz ISZBPNZDYGAPGH-CQSZACIVSA-N 0 3 287.363 0.555 20 30 CCEDHN 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/nfs/dbraw/zinc/45/92/49/892459249.db2.gz FAARTAHJCCEMOA-LBPRGKRZSA-N 0 3 293.367 0.033 20 30 CCEDHN C[C@H]1CCC[C@]1(C)C(=O)N(C)CCNCC(=O)NCC#N ZINC001481277107 892488558 /nfs/dbraw/zinc/48/85/58/892488558.db2.gz KQGYMDOZSHMRON-WFASDCNBSA-N 0 3 294.399 0.500 20 30 CCEDHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)CCCC(=O)NC)C1 ZINC001283972388 892526560 /nfs/dbraw/zinc/52/65/60/892526560.db2.gz YWFJVVNVUPHVBK-CHWSQXEVSA-N 0 3 279.384 0.505 20 30 CCEDHN CC#CCNCCN(C)C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001481302835 892551906 /nfs/dbraw/zinc/55/19/06/892551906.db2.gz QYMLBBDXIMVUQF-GFCCVEGCSA-N 0 3 274.368 0.586 20 30 CCEDHN C#CCOCCC(=O)N[C@@]12CCC[C@@H]1N(CC#C)CC2 ZINC001284049657 892653526 /nfs/dbraw/zinc/65/35/26/892653526.db2.gz DVAABVLZMLWGGN-GOEBONIOSA-N 0 3 274.364 0.773 20 30 CCEDHN C=CCOCC(=O)N[C@@H]1CCCN(C[C@H](C)OC)C1 ZINC001481524456 892772201 /nfs/dbraw/zinc/77/22/01/892772201.db2.gz UZRYDZILTMKVLP-QWHCGFSZSA-N 0 3 270.373 0.805 20 30 CCEDHN C=CCOCCN1CC(NC(=O)CN(C)C2CCC2)C1 ZINC001481564017 892836232 /nfs/dbraw/zinc/83/62/32/892836232.db2.gz BGGTYPJDXUMVQA-UHFFFAOYSA-N 0 3 281.400 0.474 20 30 CCEDHN CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)c1c(C)nc[n-]c1=O ZINC001282166861 892946523 /nfs/dbraw/zinc/94/65/23/892946523.db2.gz HVSBGKPLVIZPDY-ZJUUUORDSA-N 0 3 276.340 0.610 20 30 CCEDHN C=CCOCCN1CC[C@H](NC(=O)CCn2cccn2)C1 ZINC001481686059 893000554 /nfs/dbraw/zinc/00/05/54/893000554.db2.gz BBAXHICBZPORRA-AWEZNQCLSA-N 0 3 292.383 0.666 20 30 CCEDHN C=CCN1CC[C@@H](NC(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001481707232 893057173 /nfs/dbraw/zinc/05/71/73/893057173.db2.gz UHNAPRYZFFYPNO-NWDGAFQWSA-N 0 3 262.357 0.965 20 30 CCEDHN C=CCN1CC[C@@H](NC(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001481707232 893057195 /nfs/dbraw/zinc/05/71/95/893057195.db2.gz UHNAPRYZFFYPNO-NWDGAFQWSA-N 0 3 262.357 0.965 20 30 CCEDHN C=C(Cl)CNC[C@@](C)(NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001481921466 893267574 /nfs/dbraw/zinc/26/75/74/893267574.db2.gz ANVKQHDAUHIUPY-BXUZGUMPSA-N 0 3 299.802 0.892 20 30 CCEDHN 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COC(=O)[C@H](C)CN(C)C(=O)C1CC2(C1)CNC[C@H]2C#N ZINC000884307613 616574169 /nfs/dbraw/zinc/57/41/69/616574169.db2.gz OCDNBROVNLQZMV-NGWKBDRKSA-N 0 3 293.367 0.393 20 30 CCEDHN COC(=O)CN(CC#N)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC000813012533 616587349 /nfs/dbraw/zinc/58/73/49/616587349.db2.gz MOBCBERNVHZKGR-CQSZACIVSA-N 0 3 299.346 0.724 20 30 CCEDHN CNC(=O)NC(=O)CCN1CCC2(CC1)CC(=O)C=CO2 ZINC000933650404 616694496 /nfs/dbraw/zinc/69/44/96/616694496.db2.gz QBTCPHPCSMUISP-UHFFFAOYSA-N 0 3 295.339 0.170 20 30 CCEDHN COC(=O)Cn1ccc(NC(=O)[C@@H](N)CCCCC#N)n1 ZINC000848397868 616740198 /nfs/dbraw/zinc/74/01/98/616740198.db2.gz NNFMPQYCNGLCJQ-JTQLQIEISA-N 0 3 293.327 0.406 20 30 CCEDHN CNC(=O)C(C#N)C(=O)CCc1nc(C(C)(C)C)no1 ZINC000917003124 616837846 /nfs/dbraw/zinc/83/78/46/616837846.db2.gz YJVIYDIIKXQDQR-MRVPVSSYSA-N 0 3 278.312 0.755 20 30 CCEDHN COCCCOCCC(=O)C(C#N)C(=O)NC1CC1 ZINC000850759975 616919243 /nfs/dbraw/zinc/91/92/43/616919243.db2.gz UDEAJESZXQKOPW-LLVKDONJSA-N 0 3 268.313 0.417 20 30 CCEDHN C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)CCc3nnc[n-]3)C[C@@H]21 ZINC001026232643 625364962 /nfs/dbraw/zinc/36/49/62/625364962.db2.gz JPPKWYIHNZGLHI-RWMBFGLXSA-N 0 3 287.367 0.197 20 30 CCEDHN C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)Cc3nnc(C)[n-]3)C[C@@H]12 ZINC001026258752 625379159 /nfs/dbraw/zinc/37/91/59/625379159.db2.gz ZZEQSZQZPIHLCD-JHJVBQTASA-N 0 3 287.367 0.115 20 30 CCEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001022725140 622701081 /nfs/dbraw/zinc/70/10/81/622701081.db2.gz VFEYUQKLHPMMRS-RGOKHQFPSA-N 0 3 271.748 0.097 20 30 CCEDHN CC#CCN1CCC[C@H](CNC(=O)c2cn(C)cn2)C1 ZINC001023310769 622993964 /nfs/dbraw/zinc/99/39/64/622993964.db2.gz YFFRUOVJURETII-CYBMUJFWSA-N 0 3 274.368 0.885 20 30 CCEDHN C#CCN1CCC[C@@H](CNC(=O)c2cnn3c2CCC3)C1 ZINC001023403305 623023182 /nfs/dbraw/zinc/02/31/82/623023182.db2.gz JAOBZWYYRYZOBH-ZDUSSCGKSA-N 0 3 286.379 0.904 20 30 CCEDHN C[C@H](C#N)C(=O)N1CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001011281762 623077527 /nfs/dbraw/zinc/07/75/27/623077527.db2.gz AFHOBLGMAODVDM-GFCCVEGCSA-N 0 3 292.383 0.301 20 30 CCEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H]1CN(C)CCO1 ZINC001024376950 623300731 /nfs/dbraw/zinc/30/07/31/623300731.db2.gz FXXZKQVPKNLLMH-CABCVRRESA-N 0 3 293.411 0.311 20 30 CCEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@H]1CCCC(=O)N1 ZINC001024492910 623336641 /nfs/dbraw/zinc/33/66/41/623336641.db2.gz QPSIWTCBPIMXHS-ZIAGYGMSSA-N 0 3 291.395 0.649 20 30 CCEDHN C#CCCN1CCCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1C ZINC001024596098 623386126 /nfs/dbraw/zinc/38/61/26/623386126.db2.gz ALTJRSPKKACTHC-KGLIPLIRSA-N 0 3 291.395 0.601 20 30 CCEDHN CC#CCN1CCC[C@@H](NC(=O)[C@@H]2CCCN2C)C1 ZINC001006929524 623578445 /nfs/dbraw/zinc/57/84/45/623578445.db2.gz VWMVAUAUIMDXJT-KGLIPLIRSA-N 0 3 263.385 0.685 20 30 CCEDHN C=CCN1CCC[C@H]1[C@H]1CCCCN1C(=O)C(N)=O ZINC001025263673 623678770 /nfs/dbraw/zinc/67/87/70/623678770.db2.gz PMOVRISGZKBCJT-NWDGAFQWSA-N 0 3 265.357 0.503 20 30 CCEDHN C#CCN[C@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)CC)C2)C1 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C#CCN[C@H]1CCN(C(=O)CN(C)c2ccccc2)C1 ZINC001019853847 623919923 /nfs/dbraw/zinc/91/99/23/623919923.db2.gz AXLBOWXDNXBAFK-AWEZNQCLSA-N 0 3 271.364 0.947 20 30 CCEDHN C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2[nH]nnc2C)C1 ZINC001020457283 624483763 /nfs/dbraw/zinc/48/37/63/624483763.db2.gz OQSZYSGVCQKLAS-KYZUINATSA-N 0 3 269.736 0.716 20 30 CCEDHN N#Cc1csc(CN[C@@H](C2CC2)[C@@H]2CNCCO2)n1 ZINC000902445918 634386890 /nfs/dbraw/zinc/38/68/90/634386890.db2.gz NGHIPQWJAIFJRT-AAEUAGOBSA-N 0 3 278.381 0.871 20 30 CCEDHN Cc1[nH]cnc1CC(=O)NCC#C[C@@H]1CCCCO1 ZINC000891124006 624732150 /nfs/dbraw/zinc/73/21/50/624732150.db2.gz ZWYALXHLLPHJBW-LBPRGKRZSA-N 0 3 261.325 0.949 20 30 CCEDHN CC#CCN1CC[C@H]2[C@H](CCCN2C(=O)c2nc[nH]n2)C1 ZINC001021691837 624810751 /nfs/dbraw/zinc/81/07/51/624810751.db2.gz DWYLOPWRASMJRI-OLZOCXBDSA-N 0 3 287.367 0.755 20 30 CCEDHN C[C@@H](C#N)C(=O)N1CC[C@@H](N(C)CCn2cccn2)C1 ZINC000971211467 624828324 /nfs/dbraw/zinc/82/83/24/624828324.db2.gz RCDIOTMTPQSYPW-QWHCGFSZSA-N 0 3 275.356 0.575 20 30 CCEDHN C[C@H](C#N)C(=O)N1CC[C@H](N(C)CCn2cccn2)C1 ZINC000971211465 624828369 /nfs/dbraw/zinc/82/83/69/624828369.db2.gz RCDIOTMTPQSYPW-OLZOCXBDSA-N 0 3 275.356 0.575 20 30 CCEDHN C=C(Cl)CN[C@H]1C[C@@H](NC(=O)[C@]2(C)CCNC(=O)C2)C1 ZINC001022278419 624908869 /nfs/dbraw/zinc/90/88/69/624908869.db2.gz NJLSIYLOCHXSMU-UHIISALHSA-N 0 3 299.802 0.892 20 30 CCEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H]2CCOC2)C1 ZINC001027318698 625826299 /nfs/dbraw/zinc/82/62/99/625826299.db2.gz VBRODRZSMVWICA-OLZOCXBDSA-N 0 3 250.342 0.579 20 30 CCEDHN C#CCN(C)[C@H]1CCCN(C(=O)C[C@@H]2CCOC2)C1 ZINC001027342621 625841272 /nfs/dbraw/zinc/84/12/72/625841272.db2.gz INLXJFBCPILSPE-KBPBESRZSA-N 0 3 264.369 0.969 20 30 CCEDHN C#CCN(C)[C@H]1CCCN(C(=O)CC2OCCCO2)C1 ZINC001027378714 625859294 /nfs/dbraw/zinc/85/92/94/625859294.db2.gz OLTUCXKOFTZVKW-ZDUSSCGKSA-N 0 3 280.368 0.696 20 30 CCEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cnnn2CC)C1 ZINC001027402585 625870186 /nfs/dbraw/zinc/87/01/86/625870186.db2.gz RFDAJIZNHHCGGT-GFCCVEGCSA-N 0 3 275.356 0.468 20 30 CCEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001027433184 625879381 /nfs/dbraw/zinc/87/93/81/625879381.db2.gz UIWOSINYEGQHOY-QWHCGFSZSA-N 0 3 277.368 0.021 20 30 CCEDHN C#CCN(C)[C@@H]1CCCN(C(=O)Cc2cnn(C)c2C)C1 ZINC001027435267 625880123 /nfs/dbraw/zinc/88/01/23/625880123.db2.gz AVCNGGJLPQLTOH-OAHLLOKOSA-N 0 3 288.395 0.827 20 30 CCEDHN C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](N(C)CCF)C1 ZINC001027446592 625887293 /nfs/dbraw/zinc/88/72/93/625887293.db2.gz OTKQVEKSLXGOFI-CABCVRRESA-N 0 3 295.402 0.976 20 30 CCEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@H]2OCCO[C@H]2C)C1 ZINC001027448744 625887513 /nfs/dbraw/zinc/88/75/13/625887513.db2.gz XMFPSFCJVUWTET-IHRRRGAJSA-N 0 3 280.368 0.346 20 30 CCEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@]2(C)CCNC(=O)C2)C1 ZINC001027461885 625896996 /nfs/dbraw/zinc/89/69/96/625896996.db2.gz RFIWLSNNMYFBET-BBRMVZONSA-N 0 3 291.395 0.459 20 30 CCEDHN C#CCN(C)[C@H]1CCCN(C(=O)CCc2nccn2C)C1 ZINC001027503947 625925646 /nfs/dbraw/zinc/92/56/46/625925646.db2.gz ZVZNNDHKVMWMBM-AWEZNQCLSA-N 0 3 288.395 0.909 20 30 CCEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001027523634 625939761 /nfs/dbraw/zinc/93/97/61/625939761.db2.gz DRPVKUBUXHGXSM-OLZOCXBDSA-N 0 3 277.368 0.163 20 30 CCEDHN C#CCN(C)[C@@H]1CCCN(C(=O)[C@H]2CCC(=O)N2C)C1 ZINC001027538554 625950241 /nfs/dbraw/zinc/95/02/41/625950241.db2.gz DRPVKUBUXHGXSM-CHWSQXEVSA-N 0 3 277.368 0.163 20 30 CCEDHN C#CCN1CC[C@]2(NC(=O)C[C@@H]3CCNC3=O)CCC[C@H]12 ZINC000991038125 634700149 /nfs/dbraw/zinc/70/01/49/634700149.db2.gz BNQSHVYSCWPKOG-HEHGZKQESA-N 0 3 289.379 0.259 20 30 CCEDHN N#C[C@@H]1CCCN(C[C@@H]2CCCN(C(=O)CN)C2)C1 ZINC000903987782 634704298 /nfs/dbraw/zinc/70/42/98/634704298.db2.gz IZLFAZOHHMWSHW-STQMWFEESA-N 0 3 264.373 0.419 20 30 CCEDHN C#CCN(C)[C@H]1CCCN(C(=O)Cn2ccc(C)n2)C1 ZINC001027582640 630775362 /nfs/dbraw/zinc/77/53/62/630775362.db2.gz QBBBVAJOCCCQPG-AWEZNQCLSA-N 0 3 274.368 0.748 20 30 CCEDHN C#CCN(C)[C@@H]1CCCN(C(=O)c2cccnn2)C1 ZINC001027625736 630811164 /nfs/dbraw/zinc/81/11/64/630811164.db2.gz SCBRGUBFNGPQLX-GFCCVEGCSA-N 0 3 258.325 0.646 20 30 CCEDHN C#CCN(C)[C@H]1CCCN(C(=O)[C@@H]2CCCN2C(C)=O)C1 ZINC001027657819 630838067 /nfs/dbraw/zinc/83/80/67/630838067.db2.gz WBIBEWOHAFFATI-GJZGRUSLSA-N 0 3 291.395 0.553 20 30 CCEDHN C#CCN(C)[C@H]1CCCN(C(=O)CCN2CCCC2=O)C1 ZINC001027683955 630851258 /nfs/dbraw/zinc/85/12/58/630851258.db2.gz SOAUVXCEVNAVGD-AWEZNQCLSA-N 0 3 291.395 0.555 20 30 CCEDHN C#CCCN1CCC[C@H]1CNC(=O)c1cnccn1 ZINC001027731285 630881248 /nfs/dbraw/zinc/88/12/48/630881248.db2.gz JKALXMNFJBRLET-LBPRGKRZSA-N 0 3 258.325 0.694 20 30 CCEDHN C#CCCN1CCC[C@@H]1CNC(=O)[C@@H]1COCCO1 ZINC001027764886 630901915 /nfs/dbraw/zinc/90/19/15/630901915.db2.gz JZUIDFCYLUIDGX-OLZOCXBDSA-N 0 3 266.341 0.006 20 30 CCEDHN CCOCCCNC(=O)C(C#N)C(=O)CCn1cccn1 ZINC000124327576 631657974 /nfs/dbraw/zinc/65/79/74/631657974.db2.gz LVEVQSSKOLSCKG-GFCCVEGCSA-N 0 3 292.339 0.525 20 30 CCEDHN C#C[C@@H](C)NC(=O)NC[C@@H]1CCCN1CCOC 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C#CCN[C@@H]1CCN(C(=O)[C@@H](C)NC(=O)C(C)(C)C)C1 ZINC001184763313 844285370 /nfs/dbraw/zinc/28/53/70/844285370.db2.gz RCBPGTLUKKKSDC-VXGBXAGGSA-N 0 3 279.384 0.361 20 30 CCEDHN C=CCOCCN1C[C@@H](C)[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001206066426 838037169 /nfs/dbraw/zinc/03/71/69/838037169.db2.gz WNXRZRSFDCIHLC-DGCLKSJQSA-N 0 3 278.356 0.662 20 30 CCEDHN CC#CCN[C@@H]1CCN(C(=O)C[C@@H]2CCC(=O)N2C)C1 ZINC001184792426 844287545 /nfs/dbraw/zinc/28/75/45/844287545.db2.gz NGIOMEJUFOQEOE-OLZOCXBDSA-N 0 3 277.368 0.211 20 30 CCEDHN C=C1CC(C)(C(=O)NC2(CO)CCN(C)CC2)C1 ZINC001184795172 844288497 /nfs/dbraw/zinc/28/84/97/844288497.db2.gz SFLWCQKGZGAYOU-UHFFFAOYSA-N 0 3 252.358 0.916 20 30 CCEDHN C=CCNC(=O)[C@H](C)NCCNC(=O)CCC(F)F ZINC001131404498 838087462 /nfs/dbraw/zinc/08/74/62/838087462.db2.gz ZREMDVGYNHRGQI-VIFPVBQESA-N 0 3 277.315 0.428 20 30 CCEDHN COc1nc(C)nc(N[C@H](C)[C@@H]2CNCCO2)c1C#N ZINC001170560882 838102366 /nfs/dbraw/zinc/10/23/66/838102366.db2.gz AVBIIBBQJIGCSN-KCJUWKMLSA-N 0 3 277.328 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C#C[C@H](CCC)NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000491485769 332220357 /nfs/dbraw/zinc/22/03/57/332220357.db2.gz QZEQOIMWUFVEMA-CHWSQXEVSA-N 0 3 279.384 0.315 20 30 CCEDHN C#CCN(C)CCCNC(=O)NC[C@H](O)C1CC1 ZINC000491524296 332229644 /nfs/dbraw/zinc/22/96/44/332229644.db2.gz KZDYQOXBMBNDRX-LBPRGKRZSA-N 0 3 253.346 0.012 20 30 CCEDHN C#CCN(Cc1ccccc1)C(=O)NC[C@@H]1CNCCO1 ZINC000491547029 332235809 /nfs/dbraw/zinc/23/58/09/332235809.db2.gz YDHWVJSRNOYFMP-HNNXBMFYSA-N 0 3 287.363 0.820 20 30 CCEDHN C#CCNC(=O)CCN1CCC[C@H](c2ccnc(N)n2)C1 ZINC000491617917 332244478 /nfs/dbraw/zinc/24/44/78/332244478.db2.gz CZSQQEDLYTYHFH-LBPRGKRZSA-N 0 3 287.367 0.208 20 30 CCEDHN C#CCN(C)CCCNC(=O)NCCC1(CO)CC1 ZINC000491634157 332255694 /nfs/dbraw/zinc/25/56/94/332255694.db2.gz RQOWYZUTWXJQOK-UHFFFAOYSA-N 0 3 267.373 0.403 20 30 CCEDHN C#CCN(C)CCCNC(=O)c1cn(CCOC)nc1C ZINC000491652636 332265350 /nfs/dbraw/zinc/26/53/50/332265350.db2.gz BGEKSONARLBQRA-UHFFFAOYSA-N 0 3 292.383 0.523 20 30 CCEDHN C#CCNC(=O)CCN1[C@@H](C)CN(CC)C[C@@H]1C ZINC000491657982 332269194 /nfs/dbraw/zinc/26/91/94/332269194.db2.gz KUWOKRPGILCAAS-STQMWFEESA-N 0 3 251.374 0.540 20 30 CCEDHN C#CCN(C)CCCNC(=O)N(C)C[C@@H]1CCCO1 ZINC000491660772 332271017 /nfs/dbraw/zinc/27/10/17/332271017.db2.gz DEEJDOSMJGVQQR-ZDUSSCGKSA-N 0 3 267.373 0.762 20 30 CCEDHN C#CCNC(=O)C1CCN([C@H](C)CN2CCOCC2)CC1 ZINC000491668824 332276290 /nfs/dbraw/zinc/27/62/90/332276290.db2.gz OTVRDYSHKAGMEM-CQSZACIVSA-N 0 3 293.411 0.169 20 30 CCEDHN C#CCNC(=O)CCN[C@H](CO)c1ccccc1C ZINC000491681462 332284582 /nfs/dbraw/zinc/28/45/82/332284582.db2.gz NKPFWZBHZUOWAR-CQSZACIVSA-N 0 3 260.337 0.758 20 30 CCEDHN C#CCN(C)CCCNC(=O)N1C[C@@H](C)OC[C@H]1C ZINC000491714361 332305052 /nfs/dbraw/zinc/30/50/52/332305052.db2.gz GJFIICUBFWMICQ-CHWSQXEVSA-N 0 3 267.373 0.760 20 30 CCEDHN C#CCN(C)CCCNC(=O)N1CCC[C@@H](OCCO)C1 ZINC000491730213 332312257 /nfs/dbraw/zinc/31/22/57/332312257.db2.gz HIFNHXNIIORGFP-CQSZACIVSA-N 0 3 297.399 0.124 20 30 CCEDHN C#C[C@H]1COCCN1C(=O)NC[C@H](N)c1ccccc1 ZINC000491732207 332313507 /nfs/dbraw/zinc/31/35/07/332313507.db2.gz HGWGRCDMFKWHNY-KBPBESRZSA-N 0 3 273.336 0.730 20 30 CCEDHN C#C[C@@H]1COCCN1C(=O)NC1CCN(CCOC)CC1 ZINC000491742638 332320927 /nfs/dbraw/zinc/32/09/27/332320927.db2.gz GUMINWXPWHEZSU-CQSZACIVSA-N 0 3 295.383 0.141 20 30 CCEDHN C#C[C@H]1COCCN1C(=O)NC1CCN(CCOC)CC1 ZINC000491742634 332320978 /nfs/dbraw/zinc/32/09/78/332320978.db2.gz GUMINWXPWHEZSU-AWEZNQCLSA-N 0 3 295.383 0.141 20 30 CCEDHN C#CCN(C)CCCNC(=O)[C@@H](CC(C)C)C(N)=O ZINC000491746154 332323779 /nfs/dbraw/zinc/32/37/79/332323779.db2.gz ZPHVDIBZAHGAJH-LBPRGKRZSA-N 0 3 267.373 0.205 20 30 CCEDHN C#CCNC(=O)[C@H](C)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000491771823 332338245 /nfs/dbraw/zinc/33/82/45/332338245.db2.gz PDCVJFDZLUCEOO-WUHRBBMRSA-N 0 3 264.369 0.918 20 30 CCEDHN C#CCN(C)CCCNC(=O)NCC[C@H](C)OC ZINC000491775382 332341126 /nfs/dbraw/zinc/34/11/26/332341126.db2.gz FFOCCNXTGREFRF-LBPRGKRZSA-N 0 3 255.362 0.666 20 30 CCEDHN C#CCN1CCN(C(=O)CN2CC(C)(C)C[C@@H]2C)CC1 ZINC000491776473 332341954 /nfs/dbraw/zinc/34/19/54/332341954.db2.gz WBVDUEGPDGAGAG-AWEZNQCLSA-N 0 3 277.412 0.884 20 30 CCEDHN C#CCNC(=O)CCNC1CN(C(=O)OC(C)(C)C)C1 ZINC000491809275 332362254 /nfs/dbraw/zinc/36/22/54/332362254.db2.gz YGYAFSYEDYMRIR-UHFFFAOYSA-N 0 3 281.356 0.335 20 30 CCEDHN C#CCN(C)CCCNC(=O)N1CCO[C@@H](C)[C@@H]1C ZINC000491816024 332366981 /nfs/dbraw/zinc/36/69/81/332366981.db2.gz REVKYFUVXNRSQY-STQMWFEESA-N 0 3 267.373 0.760 20 30 CCEDHN C#CCN(C)CCCNC(=O)N1CCC[C@@H]1C(C)(C)O ZINC000491818122 332368417 /nfs/dbraw/zinc/36/84/17/332368417.db2.gz PPUDTWCNPKZDAG-CYBMUJFWSA-N 0 3 281.400 0.886 20 30 CCEDHN C#CCN1CCC(C(=O)N[C@@H](CC)[C@@H](O)CC)CC1 ZINC000491818373 332368731 /nfs/dbraw/zinc/36/87/31/332368731.db2.gz YEEYPXWFZVGBDH-KBPBESRZSA-N 0 3 266.385 0.997 20 30 CCEDHN CC(C)[C@H]([NH3+])C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000575748801 335111749 /nfs/dbraw/zinc/11/17/49/335111749.db2.gz NSTSRONTPMYJOQ-LLVKDONJSA-N 0 3 285.344 0.959 20 30 CCEDHN C[C@@H](C(=O)N(C)CCC#N)N(C)CCN1CCCC1 ZINC000089898830 334353273 /nfs/dbraw/zinc/35/32/73/334353273.db2.gz RPPVRLQSOBXIPL-ZDUSSCGKSA-N 0 3 266.389 0.775 20 30 CCEDHN CN(CCC#N)C[C@H](O)CNCCOc1ncccc1F ZINC000575796631 335115850 /nfs/dbraw/zinc/11/58/50/335115850.db2.gz FRRSUVVLDAAZTL-GFCCVEGCSA-N 0 3 296.346 0.395 20 30 CCEDHN C[C@@H](C(=O)N(C)CCC#N)N1CCC[C@H](CC(N)=O)C1 ZINC000175253172 333018756 /nfs/dbraw/zinc/01/87/56/333018756.db2.gz IFMLXQLHNWZDGI-NWDGAFQWSA-N 0 3 280.372 0.334 20 30 CCEDHN CC1CCN(CCNC[C@@H](O)CN(C)CCC#N)CC1 ZINC000517732307 333106886 /nfs/dbraw/zinc/10/68/86/333106886.db2.gz AUFUDGXDULJKJH-OAHLLOKOSA-N 0 3 282.432 0.514 20 30 CCEDHN C#CCN1CCC(C(=O)N[C@@H]2C[C@@H](O)C2(C)C)CC1 ZINC000190661268 333209490 /nfs/dbraw/zinc/20/94/90/333209490.db2.gz VAYQBTOBQZACJO-CHWSQXEVSA-N 0 3 264.369 0.607 20 30 CCEDHN C#CCN(C)C(=O)[C@H]1CCCN1C1CCOCC1 ZINC000191013976 333213621 /nfs/dbraw/zinc/21/36/21/333213621.db2.gz PEPWIVODDFJADY-CYBMUJFWSA-N 0 3 250.342 0.721 20 30 CCEDHN C#CCN(C)C(=O)[C@@H]1CC(=O)N(C[C@H]2CCCN2CC)C1 ZINC000191120192 333215514 /nfs/dbraw/zinc/21/55/14/333215514.db2.gz LCVXLDAUKKKIAB-ZIAGYGMSSA-N 0 3 291.395 0.411 20 30 CCEDHN CN1CCC(C#N)(NC(=O)c2[nH]nc3c2CCC3)CC1 ZINC000524686876 333371378 /nfs/dbraw/zinc/37/13/78/333371378.db2.gz OQYNGVIKVRLQMV-UHFFFAOYSA-N 0 3 273.340 0.616 20 30 CCEDHN Cn1cc(CN2CCC(CC#N)CC2)c(=O)n(C)c1=O ZINC000542854250 333845751 /nfs/dbraw/zinc/84/57/51/333845751.db2.gz OWDKQVRQEIORJW-UHFFFAOYSA-N 0 3 276.340 0.210 20 30 CCEDHN C[C@H](C#N)CNC(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000543803668 333900201 /nfs/dbraw/zinc/90/02/01/333900201.db2.gz SUDHDJCKAPTVAL-OLZOCXBDSA-N 0 3 282.388 0.538 20 30 CCEDHN N#CCNC(=O)CN1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000134942801 334109145 /nfs/dbraw/zinc/10/91/45/334109145.db2.gz OCLZFYJRQRSWSS-JSGCOSHPSA-N 0 3 276.384 0.575 20 30 CCEDHN C=CCn1cccc1C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000565195483 334255498 /nfs/dbraw/zinc/25/54/98/334255498.db2.gz FGCMKCNIWFCQTL-MRXNPFEDSA-N 0 3 289.379 0.861 20 30 CCEDHN C[C@H](C(=O)N1CCO[C@@H](C#N)C1)N1[C@H](C)CC[C@@H]1C ZINC000247537789 334284689 /nfs/dbraw/zinc/28/46/89/334284689.db2.gz CSCZLSJEZPYRIM-XQHKEYJVSA-N 0 3 265.357 0.999 20 30 CCEDHN Cc1noc(C)c1CCNC[C@H](O)CN(C)CCC#N ZINC000564857058 334524594 /nfs/dbraw/zinc/52/45/94/334524594.db2.gz QJOJRGBSYWBTNK-ZDUSSCGKSA-N 0 3 280.372 0.630 20 30 CCEDHN C=CCN(CC=C)C(=O)CN[C@H]1C[C@@H](O)C1(C)C ZINC000577290620 335336009 /nfs/dbraw/zinc/33/60/09/335336009.db2.gz SPXGBKYILSKMMK-NWDGAFQWSA-N 0 3 252.358 0.936 20 30 CCEDHN CN(C)[C@H]1CN(C(=O)c2cccc(F)c2C#N)C[C@@H]1O ZINC000577411228 335350060 /nfs/dbraw/zinc/35/00/60/335350060.db2.gz IJHAHWFERISYEF-STQMWFEESA-N 0 3 277.299 0.444 20 30 CCEDHN CN(CCC#N)C[C@H](O)CN[C@@H]1c2ccccc2C[C@@H]1O ZINC000581012615 335996541 /nfs/dbraw/zinc/99/65/41/335996541.db2.gz ZYUDKSRWDNMOPX-VNQPRFMTSA-N 0 3 289.379 0.441 20 30 CCEDHN COCCN(C)C[C@H](O)CN1CCC(C#N)CC1 ZINC000385879742 336159023 /nfs/dbraw/zinc/15/90/23/336159023.db2.gz BNBDASJRQMBLBX-ZDUSSCGKSA-N 0 3 255.362 0.161 20 30 CCEDHN O=C(N[C@@H]1CCN(C2CC2)C1)N[C@H]1CC(=O)N(C2CC2)C1 ZINC000330228228 534779371 /nfs/dbraw/zinc/77/93/71/534779371.db2.gz CJGCLSRDUFEIQF-MNOVXSKESA-N 0 3 292.383 0.490 20 30 CCEDHN N#Cc1ccnc(C(=O)NC[C@@H]2CCCN2CCCO)c1 ZINC000452349745 534821219 /nfs/dbraw/zinc/82/12/19/534821219.db2.gz BXBMJOFPXPTOQY-ZDUSSCGKSA-N 0 3 288.351 0.530 20 30 CCEDHN C[C@H]1CCCCN1CCNC(=O)c1cnn(C)c1C#N ZINC000354604485 526249850 /nfs/dbraw/zinc/24/98/50/526249850.db2.gz QTGHCDBVMUHMOI-NSHDSACASA-N 0 3 275.356 0.896 20 30 CCEDHN C=CCN1CC[C@@H](NC[C@@H]2CN(C3CC3)CCO2)C1=O ZINC000352810334 526483235 /nfs/dbraw/zinc/48/32/35/526483235.db2.gz NBZBJMLIEIOKEX-ZIAGYGMSSA-N 0 3 279.384 0.226 20 30 CCEDHN N#Cc1c[nH]c(C(=O)NC2CCN([C@H]3CCOC3)CC2)c1 ZINC000363729920 526534952 /nfs/dbraw/zinc/53/49/52/526534952.db2.gz PROKITDLMJLRHM-ZDUSSCGKSA-N 0 3 288.351 0.869 20 30 CCEDHN C=CCCN(C)C(=O)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000347970603 527304801 /nfs/dbraw/zinc/30/48/01/527304801.db2.gz ISSLMCDAQONXFV-RYUDHWBXSA-N 0 3 267.373 0.620 20 30 CCEDHN C=C[C@H]1CCCCN1C(=O)NC[C@@H]1CNCCO1 ZINC000334952360 527599189 /nfs/dbraw/zinc/59/91/89/527599189.db2.gz NAXRHAUKNIEWES-RYUDHWBXSA-N 0 3 253.346 0.725 20 30 CCEDHN CCN(CCC#N)C(=O)CN1CC[C@@H](COC)C1 ZINC000352225991 528360332 /nfs/dbraw/zinc/36/03/32/528360332.db2.gz DNGREBFJGCGUEZ-GFCCVEGCSA-N 0 3 253.346 0.717 20 30 CCEDHN C=CCN(C)C(=O)C(=O)N[C@@H](CC)CN1CCCC1 ZINC000672696672 545271526 /nfs/dbraw/zinc/27/15/26/545271526.db2.gz MKIOBBAUDADARA-LBPRGKRZSA-N 0 3 267.373 0.621 20 30 CCEDHN CCN(CC)CC(=O)N1CCN(CC#CCOC)CC1 ZINC000677133279 545358267 /nfs/dbraw/zinc/35/82/67/545358267.db2.gz PUYMQXRCHLLCRU-UHFFFAOYSA-N 0 3 281.400 0.122 20 30 CCEDHN C=CCCOCCNC(=O)N[C@@H]1CCCN(C)C1 ZINC000677432177 545365341 /nfs/dbraw/zinc/36/53/41/545365341.db2.gz RRPMIZFBGTTYMS-GFCCVEGCSA-N 0 3 255.362 0.973 20 30 CCEDHN C=CC[C@@H](CO)CNC(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000678780641 545397433 /nfs/dbraw/zinc/39/74/33/545397433.db2.gz TUOJPFFTAPLPNY-ZIAGYGMSSA-N 0 3 281.400 0.955 20 30 CCEDHN C=CC[C@H](CO)NC(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000680385842 545427164 /nfs/dbraw/zinc/42/71/64/545427164.db2.gz CDHLYGGQPMWZPF-QWHCGFSZSA-N 0 3 267.373 0.707 20 30 CCEDHN COCC#CCN1CCN(CC(C)(C)O)C[C@H]1C ZINC000682030935 545470814 /nfs/dbraw/zinc/47/08/14/545470814.db2.gz IRPOVNYGAXQDBP-CYBMUJFWSA-N 0 3 254.374 0.413 20 30 CCEDHN C=CCC[C@@H](O)CN1CCN(CCO)C(C)(C)C1 ZINC000682036139 545470864 /nfs/dbraw/zinc/47/08/64/545470864.db2.gz JDDKOUYLFNZMKT-CYBMUJFWSA-N 0 3 256.390 0.702 20 30 CCEDHN COCCON=C1CCN(CCC(=O)OC)CC1 ZINC000788715821 581122878 /nfs/dbraw/zinc/12/28/78/581122878.db2.gz CAZHLDHJXWJVSY-UHFFFAOYSA-N 0 3 258.318 0.664 20 30 CCEDHN C#C[C@@H](NC(=O)N1CCN2CCC1CC2)[C@H]1CCCO1 ZINC000790834041 581200083 /nfs/dbraw/zinc/20/00/83/581200083.db2.gz IYHVGXDTYUCAKK-ZIAGYGMSSA-N 0 3 277.368 0.657 20 30 CCEDHN CC(C)NC(=O)C(C#N)C(=O)CC1OCCCO1 ZINC000793125984 581284829 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