smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCC[N@H+]1CCC[C@@H](C)[C@@H]1C(=O)[O-] ZINC000232969340 949795989 /nfs/dbraw/zinc/79/59/89/949795989.db2.gz SSLBMYNRNSKKQK-ZIAGYGMSSA-N 0 1 255.402 3.532 20 30 CHEDMN CC(C)CCCO[C@@H]1CCN(Cc2ccccc2C#N)C1 ZINC001205971104 1125467609 /nfs/dbraw/zinc/46/76/09/1125467609.db2.gz RYLPBEHDSANSHK-GOSISDBHSA-N 0 1 286.419 3.585 20 30 CHEDMN CCCCCCCCCC[N@H+]1CC[C@](C)(C(=O)[O-])C1 ZINC000103866495 958360038 /nfs/dbraw/zinc/36/00/38/958360038.db2.gz GUYJKVUXHGSTCE-INIZCTEOSA-N 0 1 269.429 3.924 20 30 CHEDMN CCN(Cc1ccc(C)cc1)Cc1ccc(C#N)cc1OC ZINC000536594603 1125481573 /nfs/dbraw/zinc/48/15/73/1125481573.db2.gz BIBKIFVJLHQHSY-UHFFFAOYSA-N 0 1 294.398 3.897 20 30 CHEDMN C=CCCC[N@H+](CC)[C@@H](C(=O)[O-])c1ccccc1Cl ZINC001352777713 962632055 /nfs/dbraw/zinc/63/20/55/962632055.db2.gz HJXTWZXCKZGKRU-CQSZACIVSA-N 0 1 281.783 3.754 20 30 CHEDMN C=CCCCN(C)Cc1cccc(C(=O)OC)c1Cl ZINC000382476230 1118100726 /nfs/dbraw/zinc/10/07/26/1118100726.db2.gz IOQQUHMFQQSZGU-UHFFFAOYSA-N 0 1 281.783 3.525 20 30 CHEDMN C=CCCCC[N@@H+](CC(=O)[O-])[C@@H](CC)c1ccccc1 ZINC000579616340 974880117 /nfs/dbraw/zinc/88/01/17/974880117.db2.gz QHFMHIRWSBKGIJ-INIZCTEOSA-N 0 1 275.392 3.881 20 30 CHEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C(=O)[O-])c(Cl)c1 ZINC000659802419 975893721 /nfs/dbraw/zinc/89/37/21/975893721.db2.gz WNCSUHHNTLHCOA-BETUJISGSA-N 0 1 291.778 3.721 20 30 CHEDMN CCCCCCC[N@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001595704348 982274222 /nfs/dbraw/zinc/27/42/22/982274222.db2.gz HCODKQNNWNDXKB-GOSISDBHSA-N 0 1 289.419 3.685 20 30 CHEDMN C=CC[C@@H]1CCC[N@H+](Cc2c3ccccc3[nH]c2C(=O)[O-])C1 ZINC001588772665 984144126 /nfs/dbraw/zinc/14/41/26/984144126.db2.gz LBNFFAYLVMVELF-CYBMUJFWSA-N 0 1 298.386 3.654 20 30 CHEDMN C[C@@]1(F)CCCN(Cc2cc(C#N)ccc2Cl)CC1 ZINC001140599727 1119230639 /nfs/dbraw/zinc/23/06/39/1119230639.db2.gz OHOZCUYSAVPCFA-OAHLLOKOSA-N 0 1 280.774 3.926 20 30 CHEDMN CCCc1ccc(C(=O)[C@@H](C#N)c2nc(C)cs2)cc1 ZINC000049054868 1125491487 /nfs/dbraw/zinc/49/14/87/1125491487.db2.gz JEODTQSUJCDNEX-CQSZACIVSA-N 0 1 284.384 3.894 20 30 CHEDMN CCCc1ccc(C(=O)C(C#N)c2nc(C)cs2)cc1 ZINC000049054868 1125491490 /nfs/dbraw/zinc/49/14/90/1125491490.db2.gz JEODTQSUJCDNEX-CQSZACIVSA-N 0 1 284.384 3.894 20 30 CHEDMN Cc1c(CNCCC#N)sc2ccc(Cl)cc12 ZINC000580305617 1120166269 /nfs/dbraw/zinc/16/62/69/1120166269.db2.gz MQHPGMZCTUMBFK-UHFFFAOYSA-N 0 1 264.781 3.866 20 30 CHEDMN CCSCC[C@H](C)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000072900650 1120205203 /nfs/dbraw/zinc/20/52/03/1120205203.db2.gz ZJMTUMDZRJAXHM-LBPRGKRZSA-N 0 1 280.412 3.661 20 30 CHEDMN CCSCC[C@H](C)N(C)Cc1ccc(F)cc1C#N ZINC000072900650 1120205207 /nfs/dbraw/zinc/20/52/07/1120205207.db2.gz ZJMTUMDZRJAXHM-LBPRGKRZSA-N 0 1 280.412 3.661 20 30 CHEDMN C#C[C@@H]1CCCN(Cc2cccc(Br)c2C)C1 ZINC001195558442 1122876876 /nfs/dbraw/zinc/87/68/76/1122876876.db2.gz OHBNMJBNKODDON-CYBMUJFWSA-N 0 1 292.220 3.603 20 30 CHEDMN CN(Cc1cccc(Cl)c1C#N)C[C@@H]1CC1(C)C ZINC001139691896 1131628970 /nfs/dbraw/zinc/62/89/70/1131628970.db2.gz IVSVRQCPSZNLGM-LBPRGKRZSA-N 0 1 262.784 3.690 20 30 CHEDMN C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1nc[nH]c(=O)c1Cl ZINC001230019132 1132145451 /nfs/dbraw/zinc/14/54/51/1132145451.db2.gz XZKAERCUAKNYJU-OUAUKWLOSA-N 0 1 282.771 3.595 20 30 CHEDMN C#C[C@H]1CCCN([C@@H](C)Cc2c(F)cccc2Cl)C1 ZINC001172859216 1132343270 /nfs/dbraw/zinc/34/32/70/1132343270.db2.gz YSDXKVSXMVUXIG-STQMWFEESA-N 0 1 279.786 3.755 20 30 CHEDMN CCCCCCCCCC(=O)N1C[C@@H](C)N(C)C[C@H]1C ZINC001151253745 1132566746 /nfs/dbraw/zinc/56/67/46/1132566746.db2.gz YZXRUBAOAYVXPV-HZPDHXFCSA-N 0 1 282.472 3.678 20 30 CHEDMN C#CCN(C)Cc1ccc(OCCCCCC)cc1 ZINC001204365993 1133441046 /nfs/dbraw/zinc/44/10/46/1133441046.db2.gz FDGMMHRHMXOJLO-UHFFFAOYSA-N 0 1 259.393 3.711 20 30 CHEDMN CCN(CCC#N)CC[C@H](C)CCCC(C)(C)OC ZINC001208206891 1133907033 /nfs/dbraw/zinc/90/70/33/1133907033.db2.gz UPUYEUGDQZNRCY-OAHLLOKOSA-N 0 1 268.445 3.843 20 30 CHEDMN C=C1O[C@@H](C)C(=O)C1O[C@H](C)c1ccc(Cl)cc1 ZINC001223963282 1135403181 /nfs/dbraw/zinc/40/31/81/1135403181.db2.gz MZVBUCWYUATTHO-BDAKNGLRSA-N 0 1 266.724 3.637 20 30 CHEDMN CCCCCCC[C@@H](CCC)OCCN1CCN(C)CC1 ZINC001224549698 1135459907 /nfs/dbraw/zinc/45/99/07/1135459907.db2.gz ONLWAGYLGYPNRK-GOSISDBHSA-N 0 1 298.515 3.780 20 30 CHEDMN C=C1O[C@@H](C)C(=O)C1Oc1ccc(Cl)cc1Cl ZINC001227511204 1135841240 /nfs/dbraw/zinc/84/12/40/1135841240.db2.gz FNXUSQNJHCSBAF-LURJTMIESA-N 0 1 273.115 3.592 20 30 CHEDMN CC(=[NH+][N-]c1nccnc1C(C)C)c1c(C)cc(N)cc1C ZINC000884457221 1125565306 /nfs/dbraw/zinc/56/53/06/1125565306.db2.gz XQTNFGUMBJMERR-UHFFFAOYSA-N 0 1 297.406 3.635 20 30 CHEDMN C[C@@H]1CN(CCCC(C)(C)C#N)C[C@@H](c2ccccc2)O1 ZINC000245411580 1125571789 /nfs/dbraw/zinc/57/17/89/1125571789.db2.gz XMYIIVURMDFHSV-WBVHZDCISA-N 0 1 286.419 3.778 20 30 CHEDMN CC[C@@H](NCc1cc(C#N)ccc1OC)c1cccs1 ZINC000130279725 1125611734 /nfs/dbraw/zinc/61/17/34/1125611734.db2.gz KDSVEYRRJDQHNR-CQSZACIVSA-N 0 1 286.400 3.869 20 30 CHEDMN COc1ccc(C#N)cc1CN[C@H](C)c1ccc(C)cc1 ZINC000130281701 1125611889 /nfs/dbraw/zinc/61/18/89/1125611889.db2.gz MEIJMPYUMRQDQO-CQSZACIVSA-N 0 1 280.371 3.726 20 30 CHEDMN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCc2cccnc21 ZINC000886626803 1125699838 /nfs/dbraw/zinc/69/98/38/1125699838.db2.gz LDEYJKJFPVAGHD-ZWKOTPCHSA-N 0 1 289.382 3.608 20 30 CHEDMN CCN(Cc1ccc(C#N)c(F)c1)[C@H](C)c1cccc(O)c1 ZINC000192058813 1125741068 /nfs/dbraw/zinc/74/10/68/1125741068.db2.gz GAFAKLZWORARMG-CYBMUJFWSA-N 0 1 298.361 3.986 20 30 CHEDMN CN(Cc1cccc(Cl)c1)Cc1ccc(C#N)c(F)c1 ZINC000404250629 1125753079 /nfs/dbraw/zinc/75/30/79/1125753079.db2.gz KGCSPCXYTSGPQZ-UHFFFAOYSA-N 0 1 288.753 3.983 20 30 CHEDMN CCc1cccnc1[C@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000611559436 1125754309 /nfs/dbraw/zinc/75/43/09/1125754309.db2.gz AYWRSTZYVSCVMR-KGLIPLIRSA-N 0 1 279.387 3.927 20 30 CHEDMN CC[C@@H](NCc1ccc(C#N)c(F)c1)c1c(C)noc1C ZINC000192179653 1125759394 /nfs/dbraw/zinc/75/93/94/1125759394.db2.gz BDGDSRQPOTZEAO-OAHLLOKOSA-N 0 1 287.338 3.543 20 30 CHEDMN O=C(/C=C\c1cccc(F)c1F)c1ccccc1O ZINC000757476638 1125774101 /nfs/dbraw/zinc/77/41/01/1125774101.db2.gz XSFPAOYLNQHCSP-HJWRWDBZSA-N 0 1 260.239 3.567 20 30 CHEDMN Cc1cccc(C(C)N=Nc2ccc(Cl)nc2)c1 ZINC000743449914 1129525219 /nfs/dbraw/zinc/52/52/19/1129525219.db2.gz HIRLJNCBCXGACH-UHFFFAOYSA-N 0 1 259.740 3.880 20 30 CHEDMN N#Cc1cc(-c2cccc3nc[nH]c32)ccc1Cl ZINC001240400869 1126729450 /nfs/dbraw/zinc/72/94/50/1126729450.db2.gz TZPBJPAANHTHEL-UHFFFAOYSA-N 0 1 253.692 3.755 20 30 CHEDMN Cc1ccc(C=NNc2ccccn2)c(Br)c1 ZINC000753688994 1130284242 /nfs/dbraw/zinc/28/42/42/1130284242.db2.gz JPBACHMAFPHGJA-UHFFFAOYSA-N 0 1 290.164 3.599 20 30 CHEDMN CC(=NNc1ncccc1C)c1ccc(Cl)s1 ZINC000790187526 1130295842 /nfs/dbraw/zinc/29/58/42/1130295842.db2.gz XBFKGBSXQPETPV-UHFFFAOYSA-N 0 1 265.769 3.941 20 30 CHEDMN C=C(C)[C@H](N[C@H]1CO[C@H](C2CC2)C1)c1ccc(F)c(F)c1 ZINC000668000455 1126750168 /nfs/dbraw/zinc/75/01/68/1126750168.db2.gz JJOJENHBTQBQNJ-COXVUDFISA-N 0 1 293.357 3.739 20 30 CHEDMN COC1(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)CCCC1 ZINC000483262993 1126775843 /nfs/dbraw/zinc/77/58/43/1126775843.db2.gz BUYCCBRBFIVIGU-QZTJIDSGSA-N 0 1 298.430 3.717 20 30 CHEDMN COC1(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)CCCC1 ZINC000483262992 1126776323 /nfs/dbraw/zinc/77/63/23/1126776323.db2.gz BUYCCBRBFIVIGU-MSOLQXFVSA-N 0 1 298.430 3.717 20 30 CHEDMN CN(CCCC(C)(C)C#N)Cc1nc2c(s1)CCCC2 ZINC000175541918 1126783487 /nfs/dbraw/zinc/78/34/87/1126783487.db2.gz FZNQHTDGEOXOKW-UHFFFAOYSA-N 0 1 291.464 3.784 20 30 CHEDMN Cc1cc(F)ccc1C=NNc1cccc(Cl)n1 ZINC000793174009 1130527080 /nfs/dbraw/zinc/52/70/80/1130527080.db2.gz GBUCCTCPUZUJLL-UHFFFAOYSA-N 0 1 263.703 3.629 20 30 CHEDMN N#Cc1ccc(CN(CCC(F)(F)F)CC2CC2)s1 ZINC000180537673 1126845896 /nfs/dbraw/zinc/84/58/96/1126845896.db2.gz NEYPOBVYUMYYLL-UHFFFAOYSA-N 0 1 288.338 3.784 20 30 CHEDMN C=CC[C@@H](C)NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000181121319 1126852530 /nfs/dbraw/zinc/85/25/30/1126852530.db2.gz SFXZTBFVSLZWGT-MRVPVSSYSA-N 0 1 294.305 3.587 20 30 CHEDMN CCC(CC)CN(CCC#N)CCc1ccc(OC)cc1 ZINC000484923517 1126856563 /nfs/dbraw/zinc/85/65/63/1126856563.db2.gz UPAWWUBOJRFOLG-UHFFFAOYSA-N 0 1 288.435 3.890 20 30 CHEDMN COc1cccc(CCCN(CCC#N)CCC(C)C)c1 ZINC000484901554 1126854636 /nfs/dbraw/zinc/85/46/36/1126854636.db2.gz TXVVMPYLPJSQFB-UHFFFAOYSA-N 0 1 288.435 3.890 20 30 CHEDMN CCOc1ccccc1CN[C@H](C)c1cccc(C#N)c1 ZINC000181979542 1126863740 /nfs/dbraw/zinc/86/37/40/1126863740.db2.gz NPUCLKJTOUYYFM-CQSZACIVSA-N 0 1 280.371 3.808 20 30 CHEDMN C#CCCOc1ccc(CN(C)[C@H](C)c2cccnc2)cc1 ZINC000183718118 1126890679 /nfs/dbraw/zinc/89/06/79/1126890679.db2.gz UTUNPVBZDBLQDP-MRXNPFEDSA-N 0 1 294.398 3.677 20 30 CHEDMN C=CCCCN[C@H](C)c1nc(C2CCCCC2)no1 ZINC000185266178 1126899108 /nfs/dbraw/zinc/89/91/08/1126899108.db2.gz OQLPUZZTUNYBER-GFCCVEGCSA-N 0 1 263.385 3.734 20 30 CHEDMN N#CCC[C@@H](C#N)CN[C@@H]1CCc2cccc3cccc1c32 ZINC000905843279 1126919371 /nfs/dbraw/zinc/91/93/71/1126919371.db2.gz FIAQIKLSBDZTFS-KBXCAEBGSA-N 0 1 289.382 3.860 20 30 CHEDMN C[C@@H](c1cccc(C#N)c1)N1CCC[C@H](C(F)(F)F)C1 ZINC000189347792 1126931263 /nfs/dbraw/zinc/93/12/63/1126931263.db2.gz ALXFJZGUWKIEJU-FZMZJTMJSA-N 0 1 282.309 3.894 20 30 CHEDMN C=C[C@H]1CCCCN1c1ccnc2cc(F)ccc21 ZINC000486488003 1126984260 /nfs/dbraw/zinc/98/42/60/1126984260.db2.gz MWQFBIUCFVCJSQ-ZDUSSCGKSA-N 0 1 256.324 3.919 20 30 CHEDMN C[C@H]1c2ccsc2CCN1CCOc1ccccc1C#N ZINC000042278381 1127035366 /nfs/dbraw/zinc/03/53/66/1127035366.db2.gz HAHVOHANRDMAHQ-ZDUSSCGKSA-N 0 1 298.411 3.618 20 30 CHEDMN CN(Cc1ccc(Cl)s1)Cc1cccc(C#N)c1 ZINC000042211282 1127033083 /nfs/dbraw/zinc/03/30/83/1127033083.db2.gz SVVXJTWMWJUTQN-UHFFFAOYSA-N 0 1 276.792 3.905 20 30 CHEDMN C=CCN(CCc1ccccc1)Cc1cc(C2CC2)no1 ZINC000659856570 1127055213 /nfs/dbraw/zinc/05/52/13/1127055213.db2.gz FCPBQGMKWHDZGH-UHFFFAOYSA-N 0 1 282.387 3.783 20 30 CHEDMN CC(C)[C@H](F)C(=O)[C@H](C#N)c1ncc(C(C)(C)C)s1 ZINC000797567539 1130993532 /nfs/dbraw/zinc/99/35/32/1130993532.db2.gz JULFGVYYSVOKEA-ONGXEEELSA-N 0 1 282.384 3.611 20 30 CHEDMN CC(C)(C)c1cnc([C@H](C#N)C(=O)CCC2CC2)s1 ZINC000797571752 1130993968 /nfs/dbraw/zinc/99/39/68/1130993968.db2.gz VWDXNLVSBDXDBH-LLVKDONJSA-N 0 1 276.405 3.807 20 30 CHEDMN C[N@@H+](Cc1ccccc1C#N)[C@H]1CCc2ccccc21 ZINC000029484071 1127124816 /nfs/dbraw/zinc/12/48/16/1127124816.db2.gz MFFRRBYUUSIFOK-SFHVURJKSA-N 0 1 262.356 3.678 20 30 CHEDMN CN(Cc1ccccc1C#N)[C@H]1CCc2ccccc21 ZINC000029484071 1127124817 /nfs/dbraw/zinc/12/48/17/1127124817.db2.gz MFFRRBYUUSIFOK-SFHVURJKSA-N 0 1 262.356 3.678 20 30 CHEDMN C[N@@H+](Cc1ccccc1C#N)[C@@H]1CCc2ccccc21 ZINC000029484069 1127124942 /nfs/dbraw/zinc/12/49/42/1127124942.db2.gz MFFRRBYUUSIFOK-GOSISDBHSA-N 0 1 262.356 3.678 20 30 CHEDMN CN(Cc1ccccc1C#N)[C@@H]1CCc2ccccc21 ZINC000029484069 1127124943 /nfs/dbraw/zinc/12/49/43/1127124943.db2.gz MFFRRBYUUSIFOK-GOSISDBHSA-N 0 1 262.356 3.678 20 30 CHEDMN C=CCOc1cccc(CN(Cc2ccccn2)C2CC2)c1 ZINC000349276894 1127145438 /nfs/dbraw/zinc/14/54/38/1127145438.db2.gz KQDNODCBBJKHNU-UHFFFAOYSA-N 0 1 294.398 3.811 20 30 CHEDMN N#Cc1cc(CN2CC[C@H]3CCCC[C@H]3C2)c(F)cc1F ZINC001237529480 1131111229 /nfs/dbraw/zinc/11/12/29/1131111229.db2.gz GAOSXDYKRSSWGN-OLZOCXBDSA-N 0 1 290.357 3.849 20 30 CHEDMN N#Cc1cc(Cl)cc(CN2CCC23CCCC3)c1 ZINC001237745160 1131138231 /nfs/dbraw/zinc/13/82/31/1131138231.db2.gz CMHJDARCPRCLDS-UHFFFAOYSA-N 0 1 260.768 3.730 20 30 CHEDMN CC[C@@H](c1ccncc1)N(C)Cc1cc(C#N)cs1 ZINC000589205748 1127216297 /nfs/dbraw/zinc/21/62/97/1127216297.db2.gz IBJJGDILOMZJCX-HNNXBMFYSA-N 0 1 271.389 3.598 20 30 CHEDMN COc1ccc([C@H](C)N[C@H](C)c2cccc(C#N)c2)cc1O ZINC000589340350 1127217408 /nfs/dbraw/zinc/21/74/08/1127217408.db2.gz ATOFHMHRRPGLAB-OLZOCXBDSA-N 0 1 296.370 3.684 20 30 CHEDMN COc1ccc(C)cc1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000589341852 1127217905 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1127249651 /nfs/dbraw/zinc/24/96/51/1127249651.db2.gz LQFAZLMWGXTCJR-UHFFFAOYSA-N 0 1 295.496 3.984 20 30 CHEDMN C=C(C)C[C@H](C)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000286588985 1127269421 /nfs/dbraw/zinc/26/94/21/1127269421.db2.gz AMDOWRGTOCQAEM-QMMMGPOBSA-N 0 1 271.719 3.726 20 30 CHEDMN C[C@H](c1nc2ccccc2s1)[N@@H+](C)CCCCC#N ZINC000057620423 1127268341 /nfs/dbraw/zinc/26/83/41/1127268341.db2.gz RBTSSSLHRASAPN-GFCCVEGCSA-N 0 1 273.405 3.983 20 30 CHEDMN Cc1cccc(CC2CN(Cc3ccc(C#N)s3)C2)c1 ZINC000590967180 1127279703 /nfs/dbraw/zinc/27/97/03/1127279703.db2.gz CWZWNBJUIUDHIB-UHFFFAOYSA-N 0 1 282.412 3.603 20 30 CHEDMN C[C@@H](N[C@@H]1CCc2cc(C#N)ccc21)c1ccncc1Cl ZINC000591531413 1127307794 /nfs/dbraw/zinc/30/77/94/1127307794.db2.gz IOTLNXVZLOYSDQ-PIGZYNQJSA-N 0 1 297.789 3.945 20 30 CHEDMN CCCc1ccc([C@@H](C)NCc2ccc(C#N)cn2)cc1 ZINC000783295068 1127332783 /nfs/dbraw/zinc/33/27/83/1127332783.db2.gz YNRLCOGUXLZTCG-CQSZACIVSA-N 0 1 279.387 3.757 20 30 CHEDMN Cc1cc(C)cc([C@H]2CCN(Cc3ccncc3C#N)C2)c1 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3.928 20 30 CHEDMN C=CC1CCN(Cc2coc(-c3ccc(OC)cc3)n2)CC1 ZINC000111257606 1120257576 /nfs/dbraw/zinc/25/75/76/1120257576.db2.gz RPLNOAITXNLEML-UHFFFAOYSA-N 0 1 298.386 3.748 20 30 CHEDMN CCN(Cc1c(C)noc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741644 1120299002 /nfs/dbraw/zinc/29/90/02/1120299002.db2.gz LWKWLIXDAWCPGB-ZDUSSCGKSA-N 0 1 283.375 3.746 20 30 CHEDMN C=C[C@H](C)N[C@H](C)c1sccc1Br ZINC000157251106 1120314844 /nfs/dbraw/zinc/31/48/44/1120314844.db2.gz PIDHDZFMUPKAGG-JGVFFNPUSA-N 0 1 260.200 3.736 20 30 CHEDMN Cc1cccc([C@@H](C)NCc2csc(C#N)c2)c1 ZINC000922169733 1120442346 /nfs/dbraw/zinc/44/23/46/1120442346.db2.gz PEMPBNXWBDCLGC-GFCCVEGCSA-N 0 1 256.374 3.779 20 30 CHEDMN N#CC1CCC(COC(=O)c2ccc(O)c(Cl)c2)CC1 ZINC000922170963 1120444480 /nfs/dbraw/zinc/44/44/80/1120444480.db2.gz GHURQFZRHCQTEI-UHFFFAOYSA-N 0 1 293.750 3.532 20 30 CHEDMN Cn1c2ccccc2nc1N=NCc1ccc(Cl)cc1 ZINC000728776418 1120449809 /nfs/dbraw/zinc/44/98/09/1120449809.db2.gz QTNQQRIYMWZBPZ-UHFFFAOYSA-N 0 1 284.750 3.673 20 30 CHEDMN CC[C@@H](NCc1ccoc1C)c1ccc(C#N)cc1 ZINC000618566882 1128919921 /nfs/dbraw/zinc/91/99/21/1128919921.db2.gz OXUVUOBYFLKEAS-MRXNPFEDSA-N 0 1 254.333 3.701 20 30 CHEDMN Cc1cc([C@H]2CCCN2Cc2c(C)cc(C#N)cc2C)on1 ZINC000929289789 1120499929 /nfs/dbraw/zinc/49/99/29/1120499929.db2.gz ZBKZHQWQXUVHMJ-QGZVFWFLSA-N 0 1 295.386 3.809 20 30 CHEDMN C[C@@H](NCc1ccc(C#N)o1)c1ccc(C2CC2)cc1 ZINC000418110102 1120517842 /nfs/dbraw/zinc/51/78/42/1120517842.db2.gz BDIFVNURDALXMY-GFCCVEGCSA-N 0 1 266.344 3.879 20 30 CHEDMN Cc1c(CN[C@@H](C)c2cccc(C#N)c2)cccc1[N+](=O)[O-] ZINC000318283048 1120527780 /nfs/dbraw/zinc/52/77/80/1120527780.db2.gz MSXJSKOFNSVIRY-ZDUSSCGKSA-N 0 1 295.342 3.626 20 30 CHEDMN COc1ccccc1[C@H]1CCCN1Cc1cc(C#N)cs1 ZINC000093008448 1120550820 /nfs/dbraw/zinc/55/08/20/1120550820.db2.gz MWRPXGDBKKHRGP-MRXNPFEDSA-N 0 1 298.411 3.965 20 30 CHEDMN C[C@@H]1C[C@@H](c2cccc(F)c2)N(Cc2ccc(C#N)o2)C1 ZINC000093531799 1120562408 /nfs/dbraw/zinc/56/24/08/1120562408.db2.gz LPFBOUDJVUGNTH-PXAZEXFGSA-N 0 1 284.334 3.873 20 30 CHEDMN Cc1ccc(CN[C@@H](CCC#N)c2ccccc2)cn1 ZINC000156424007 1120625343 /nfs/dbraw/zinc/62/53/43/1120625343.db2.gz KRVFQRWXBBQCQF-KRWDZBQOSA-N 0 1 265.360 3.525 20 30 CHEDMN COc1ccc([C@@H](C)[N@@H+](C)Cc2cc(C#N)cs2)cc1 ZINC000125837825 1120627330 /nfs/dbraw/zinc/62/73/30/1120627330.db2.gz XSTRLZNUWJLCNY-GFCCVEGCSA-N 0 1 286.400 3.821 20 30 CHEDMN COc1ccc([C@@H](C)N(C)Cc2cc(C#N)cs2)cc1 ZINC000125837825 1120627332 /nfs/dbraw/zinc/62/73/32/1120627332.db2.gz XSTRLZNUWJLCNY-GFCCVEGCSA-N 0 1 286.400 3.821 20 30 CHEDMN N#Cc1csc(CN[C@H]2CSc3ccccc32)c1 ZINC000334173868 1120638092 /nfs/dbraw/zinc/63/80/92/1120638092.db2.gz CDFGEHRICNINDJ-ZDUSSCGKSA-N 0 1 272.398 3.556 20 30 CHEDMN C[C@H](c1cccc(C#N)c1)N1Cc2ccccc2O[C@H](C)C1 ZINC000429132325 1120671748 /nfs/dbraw/zinc/67/17/48/1120671748.db2.gz ZITBZJFKANGXGW-HUUCEWRRSA-N 0 1 292.382 3.902 20 30 CHEDMN COc1ccc(CNCc2ccc(C#N)s2)cc1Cl ZINC000132294351 1120686295 /nfs/dbraw/zinc/68/62/95/1120686295.db2.gz MOKGIBTUHKSVQP-UHFFFAOYSA-N 0 1 292.791 3.572 20 30 CHEDMN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cccc(F)c1F ZINC000618742551 1128935800 /nfs/dbraw/zinc/93/58/00/1128935800.db2.gz ZIWSEMKTTNWDBZ-INIZCTEOSA-N 0 1 284.309 3.614 20 30 CHEDMN CC(C)N(CC#Cc1ccc(Cl)cc1)Cc1cccnc1 ZINC000093223793 1120735507 /nfs/dbraw/zinc/73/55/07/1120735507.db2.gz KVVUKDRIJUQWOM-UHFFFAOYSA-N 0 1 298.817 3.997 20 30 CHEDMN CC(C)N(CCC#N)CCc1ccc(Cl)cc1 ZINC000308667033 1120753292 /nfs/dbraw/zinc/75/32/92/1120753292.db2.gz SXRVELJNWRWMJR-UHFFFAOYSA-N 0 1 250.773 3.507 20 30 CHEDMN C=CC[C@H]1CCCN(Cc2csc(N(C)C3CC3)n2)C1 ZINC000661380778 1120759105 /nfs/dbraw/zinc/75/91/05/1120759105.db2.gz PWVXSNJEZVCXOZ-ZDUSSCGKSA-N 0 1 291.464 3.530 20 30 CHEDMN C=CC[C@@H]1CCC[N@H+](Cc2nc3cc(F)ccc3o2)C1 ZINC000661379204 1120759654 /nfs/dbraw/zinc/75/96/54/1120759654.db2.gz AEKQVQWQHRLICC-GFCCVEGCSA-N 0 1 274.339 3.755 20 30 CHEDMN C=CC[C@@H]1CCCN(Cc2nc3cc(F)ccc3o2)C1 ZINC000661379204 1120759659 /nfs/dbraw/zinc/75/96/59/1120759659.db2.gz AEKQVQWQHRLICC-GFCCVEGCSA-N 0 1 274.339 3.755 20 30 CHEDMN C=CC[C@H]1CCC[N@H+]([C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000661378931 1120759732 /nfs/dbraw/zinc/75/97/32/1120759732.db2.gz ORHZQFIFMWSRAS-STQMWFEESA-N 0 1 277.412 3.716 20 30 CHEDMN C=CC[C@H]1CCCN([C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000661378931 1120759735 /nfs/dbraw/zinc/75/97/35/1120759735.db2.gz ORHZQFIFMWSRAS-STQMWFEESA-N 0 1 277.412 3.716 20 30 CHEDMN C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2cc(C)ccc2C)C1 ZINC000661379046 1120760458 /nfs/dbraw/zinc/76/04/58/1120760458.db2.gz RGQIZXBUWVEPIQ-MRXNPFEDSA-N 0 1 286.419 3.530 20 30 CHEDMN C=CC[C@@H]1CCCN(CC(=O)Nc2cc(C)ccc2C)C1 ZINC000661379046 1120760463 /nfs/dbraw/zinc/76/04/63/1120760463.db2.gz RGQIZXBUWVEPIQ-MRXNPFEDSA-N 0 1 286.419 3.530 20 30 CHEDMN Cc1ccc([C@@H](C)N[C@H]2CCc3cc(C#N)ccc32)o1 ZINC000618803369 1128939511 /nfs/dbraw/zinc/93/95/11/1128939511.db2.gz IEHDSWJPOQGNRA-WBMJQRKESA-N 0 1 266.344 3.798 20 30 CHEDMN Cc1ncc([C@@H](C)N[C@@H]2CCc3cc(C#N)ccc32)s1 ZINC000618802875 1128939754 /nfs/dbraw/zinc/93/97/54/1128939754.db2.gz MEGHJHKDZJPQKT-MEBBXXQBSA-N 0 1 283.400 3.661 20 30 CHEDMN C=CCN(Cc1nnc(-c2cc(C)oc2C)o1)C(C)(C)C ZINC000661755616 1120810693 /nfs/dbraw/zinc/81/06/93/1120810693.db2.gz VUWPSEYAGHBPDP-UHFFFAOYSA-N 0 1 289.379 3.733 20 30 CHEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(C(C)=O)ccc1OCC ZINC000662081703 1120871764 /nfs/dbraw/zinc/87/17/64/1120871764.db2.gz RGYVFLLYLYVJNY-HDICACEKSA-N 0 1 299.414 3.971 20 30 CHEDMN C=C(C)CN(CC)C(=O)c1cc(-c2ccc(C)cc2C)[nH]n1 ZINC000188203508 1120891258 /nfs/dbraw/zinc/89/12/58/1120891258.db2.gz DPIKPFMPSWYFTH-UHFFFAOYSA-N 0 1 297.402 3.732 20 30 CHEDMN C=CCCC[C@H](C)N1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000662238092 1120909108 /nfs/dbraw/zinc/90/91/08/1120909108.db2.gz RCNAPAMUDKXLNY-RWMBFGLXSA-N 0 1 279.346 3.773 20 30 CHEDMN C=CC1CCN(Cc2cccc(OC)c2OC(F)F)CC1 ZINC000093359234 1128950793 /nfs/dbraw/zinc/95/07/93/1128950793.db2.gz DTGOAEXDVXNFCH-UHFFFAOYSA-N 0 1 297.345 3.695 20 30 CHEDMN C=C(Cl)CN(C)[C@H]1C[C@H](OCC)C1(CC)CC ZINC001167818391 1120982042 /nfs/dbraw/zinc/98/20/42/1120982042.db2.gz FTPKJRSOJAEILP-STQMWFEESA-N 0 1 259.821 3.655 20 30 CHEDMN C=C(C)Nc1c(Cl)ncc(C(=O)OCC)c1Cl ZINC001174786293 1121031080 /nfs/dbraw/zinc/03/10/80/1121031080.db2.gz ASFCKCNYJOHITB-UHFFFAOYSA-N 0 1 275.135 3.511 20 30 CHEDMN C=CC[C@@H]1CCN(Cc2csc(C(C)(C)C)n2)C1 ZINC000625703591 1121064496 /nfs/dbraw/zinc/06/44/96/1121064496.db2.gz NKVWPRLUANSFCU-GFCCVEGCSA-N 0 1 264.438 3.839 20 30 CHEDMN C=CC[C@@H]1CCN(Cc2cc(Cl)ccc2F)C1 ZINC001174890239 1121068266 /nfs/dbraw/zinc/06/82/66/1121068266.db2.gz GENHGIPGGAIDNF-LLVKDONJSA-N 0 1 253.748 3.877 20 30 CHEDMN C[C@H]1c2cc(F)cc(F)c2CCN1CCCSCC#N ZINC000344213785 1121122725 /nfs/dbraw/zinc/12/27/25/1121122725.db2.gz IAQCNZFZFCYQQU-NSHDSACASA-N 0 1 296.386 3.531 20 30 CHEDMN C=CCCCCCN(C)Cc1cn2ccccc2n1 ZINC000150874012 1121158214 /nfs/dbraw/zinc/15/82/14/1121158214.db2.gz JZEWVTBHUUBXGN-UHFFFAOYSA-N 0 1 257.381 3.513 20 30 CHEDMN C=C(C)CN(Cc1ccc(CO)o1)Cc1ccc(CC)cc1 ZINC000512194296 1121183785 /nfs/dbraw/zinc/18/37/85/1121183785.db2.gz HNEBTXMDZBEWBR-UHFFFAOYSA-N 0 1 299.414 3.913 20 30 CHEDMN Cc1ccc(C)c(Nc2cc(C#N)c(F)cc2O)c1 ZINC001175162861 1121210577 /nfs/dbraw/zinc/21/05/77/1121210577.db2.gz ABEXMMUIROTQOV-UHFFFAOYSA-N 0 1 256.280 3.763 20 30 CHEDMN C[C@H](NCc1ccc(C#N)cc1)c1cc2cnccc2o1 ZINC001175638700 1121404314 /nfs/dbraw/zinc/40/43/14/1121404314.db2.gz PZWFJWIVHXPUDJ-LBPRGKRZSA-N 0 1 277.327 3.550 20 30 CHEDMN Cc1[nH]nc2ccc(Nc3cc(F)c(F)c(C#N)c3)cc12 ZINC001175701441 1121419305 /nfs/dbraw/zinc/41/93/05/1121419305.db2.gz DDRMXMRPSZYPLS-UHFFFAOYSA-N 0 1 284.269 3.765 20 30 CHEDMN Cc1[nH]nc2cc(Nc3ccc(F)c(C#N)c3)ccc12 ZINC001175661560 1121425067 /nfs/dbraw/zinc/42/50/67/1121425067.db2.gz MVBYMWZRWQETOR-UHFFFAOYSA-N 0 1 266.279 3.626 20 30 CHEDMN C#Cc1ccc(Nc2ccc3c(C)[nH]nc3c2)cc1F ZINC001175665820 1121427302 /nfs/dbraw/zinc/42/73/02/1121427302.db2.gz SOZYSBWWNXNFDW-UHFFFAOYSA-N 0 1 265.291 3.735 20 30 CHEDMN Cc1n[nH]c(CN(Cc2ccc(C#N)cc2)CC(C)C)c1C ZINC000893958644 1121446130 /nfs/dbraw/zinc/44/61/30/1121446130.db2.gz QBXHTPODMJCTJP-UHFFFAOYSA-N 0 1 296.418 3.556 20 30 CHEDMN Clc1cccc(C#CCN2CC[C@H](c3ccco3)C2)c1 ZINC000676563240 1121446090 /nfs/dbraw/zinc/44/60/90/1121446090.db2.gz KZYKIONUOPQIJR-HNNXBMFYSA-N 0 1 285.774 3.774 20 30 CHEDMN Clc1cccc(C#CCN2CC[C@@H](c3ccco3)C2)c1 ZINC000676563242 1121446261 /nfs/dbraw/zinc/44/62/61/1121446261.db2.gz KZYKIONUOPQIJR-OAHLLOKOSA-N 0 1 285.774 3.774 20 30 CHEDMN COc1ccc(C#N)cc1CN(C)Cc1cccc(C)c1C ZINC000428735400 1121474028 /nfs/dbraw/zinc/47/40/28/1121474028.db2.gz DGWBWWZQCVEYJF-UHFFFAOYSA-N 0 1 294.398 3.816 20 30 CHEDMN COc1ccc(CN[C@@H](CCCC#N)c2ccccc2)nc1 ZINC000433019267 1121519156 /nfs/dbraw/zinc/51/91/56/1121519156.db2.gz MLOQPAMJPOAZNK-SFHVURJKSA-N 0 1 295.386 3.615 20 30 CHEDMN COc1ncccc1CN[C@@H](CCCC#N)c1ccccc1 ZINC000433019317 1121519340 /nfs/dbraw/zinc/51/93/40/1121519340.db2.gz MTOKVAILOISXMH-KRWDZBQOSA-N 0 1 295.386 3.615 20 30 CHEDMN N#Cc1cc(Nc2ccccc2OC(F)F)c(O)cc1F ZINC001176013396 1121524994 /nfs/dbraw/zinc/52/49/94/1121524994.db2.gz NDPHGGTUMWXGHL-UHFFFAOYSA-N 0 1 294.232 3.748 20 30 CHEDMN C[C@H](CCC#N)N1CCc2cc(-c3ccccc3)oc2C1 ZINC000411386837 1121578948 /nfs/dbraw/zinc/57/89/48/1121578948.db2.gz LSVMLAGJKVZHQZ-CQSZACIVSA-N 0 1 280.371 3.997 20 30 CHEDMN COCC[C@@H](NCCC1(C#N)CCCCC1)c1ccco1 ZINC000411520705 1121600252 /nfs/dbraw/zinc/60/02/52/1121600252.db2.gz WWYLKDBMIBUFMO-OAHLLOKOSA-N 0 1 290.407 3.811 20 30 CHEDMN C[C@H](CCC#N)N[C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000411525557 1121601948 /nfs/dbraw/zinc/60/19/48/1121601948.db2.gz CFIWDARDLVDGJD-MNOVXSKESA-N 0 1 265.426 3.783 20 30 CHEDMN CC#CCN1CC[C@H](c2cc(F)c(F)c(F)c2)C1(C)C ZINC001176372703 1121617930 /nfs/dbraw/zinc/61/79/30/1121617930.db2.gz IRFPGSRTLXMVLG-GFCCVEGCSA-N 0 1 281.321 3.695 20 30 CHEDMN CCC(CC)CN(CCC#N)Cc1[nH]nc2ccccc21 ZINC000611268797 1121633269 /nfs/dbraw/zinc/63/32/69/1121633269.db2.gz BQERRZPMJWXURU-UHFFFAOYSA-N 0 1 284.407 3.715 20 30 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1124032273 /nfs/dbraw/zinc/03/22/73/1124032273.db2.gz UJWTUHIGAHFLCL-UHFFFAOYSA-N 0 1 286.335 3.667 20 30 CHEDMN COc1ccc(C#N)cc1CN(C)Cc1cc(C)cc(C)c1 ZINC000444713607 1124053065 /nfs/dbraw/zinc/05/30/65/1124053065.db2.gz YZXOKNFEDUCAPP-UHFFFAOYSA-N 0 1 294.398 3.816 20 30 CHEDMN Cc1cc(CN(C)CC#Cc2ccc(F)cc2)ccc1F ZINC000444727229 1124058497 /nfs/dbraw/zinc/05/84/97/1124058497.db2.gz CEYCUEVWKKVPIZ-UHFFFAOYSA-N 0 1 285.337 3.757 20 30 CHEDMN C=CCC[C@@H](NCc1ccnc(F)c1)c1ccco1 ZINC000866474454 1124070459 /nfs/dbraw/zinc/07/04/59/1124070459.db2.gz MJPYEGAQNYVSTQ-CYBMUJFWSA-N 0 1 260.312 3.611 20 30 CHEDMN CCSCC[C@@H](C)N(C)Cc1cccc(F)c1C#N ZINC000428384308 1124071260 /nfs/dbraw/zinc/07/12/60/1124071260.db2.gz CBUIUGGGHVTLQC-GFCCVEGCSA-N 0 1 280.412 3.661 20 30 CHEDMN CN(Cc1cccc(C#N)c1)Cc1cc(Cl)cc(C#N)c1 ZINC001237754373 1129178129 /nfs/dbraw/zinc/17/81/29/1129178129.db2.gz KOFFCQWGFLDMCP-UHFFFAOYSA-N 0 1 295.773 3.715 20 30 CHEDMN Fc1cccc(NN=Cc2cccc(Cl)c2Cl)n1 ZINC000795007941 1124467097 /nfs/dbraw/zinc/46/70/97/1124467097.db2.gz SEOQMEUHHBBDOD-UHFFFAOYSA-N 0 1 284.121 3.974 20 30 CHEDMN Fc1cccc(NN=C2CC3(CCC3)Oc3ccccc32)n1 ZINC000795008096 1124467309 /nfs/dbraw/zinc/46/73/09/1124467309.db2.gz VLRNSFGDVBFFIK-UHFFFAOYSA-N 0 1 297.333 3.742 20 30 CHEDMN COCc1ccc(CN[C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000339082851 1124487115 /nfs/dbraw/zinc/48/71/15/1124487115.db2.gz KSPRSPTXTYAVJK-CYBMUJFWSA-N 0 1 298.361 3.695 20 30 CHEDMN N#Cc1cncc(CN2CCC[C@H]2/C=C/c2ccccc2)c1 ZINC001119800475 1131263712 /nfs/dbraw/zinc/26/37/12/1131263712.db2.gz IGYFARGYDRLFCX-SGQUHAKNSA-N 0 1 289.382 3.631 20 30 CHEDMN C=C(C)C(C)(C)C(=O)C(C#N)c1nc2ccccc2o1 ZINC000819952173 1131271679 /nfs/dbraw/zinc/27/16/79/1131271679.db2.gz MSYWQNCLFZJAFH-LLVKDONJSA-N 0 1 268.316 3.606 20 30 CHEDMN COc1cc(C)ccc1CN(C)Cc1ccc(C#N)cc1 ZINC000449011824 1124633280 /nfs/dbraw/zinc/63/32/80/1124633280.db2.gz VFHWXWKMWVCKHR-UHFFFAOYSA-N 0 1 280.371 3.507 20 30 CHEDMN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1Cc1nc(C#N)cs1 ZINC000449384309 1124719463 /nfs/dbraw/zinc/71/94/63/1124719463.db2.gz AVYCNSQXYBHUHE-IOASZLSFSA-N 0 1 297.427 3.781 20 30 CHEDMN C=C(CC)CNCc1csc(-c2ccccc2)n1 ZINC000449731837 1124849604 /nfs/dbraw/zinc/84/96/04/1124849604.db2.gz JRUMBDLBSSSMHL-UHFFFAOYSA-N 0 1 258.390 3.866 20 30 CHEDMN CN(C)Cc1cccc(C(=O)/C=C/c2ccc(F)cc2)c1 ZINC000821021618 1131314751 /nfs/dbraw/zinc/31/47/51/1131314751.db2.gz JLUVXODBKNPXAP-DHZHZOJOSA-N 0 1 283.346 3.783 20 30 CHEDMN N#CC(C(=O)[C@@H]1CCCC12CC2)c1nccc2ccccc21 ZINC000528999741 1124875532 /nfs/dbraw/zinc/87/55/32/1124875532.db2.gz PBJZGYVRTJVJGW-HOTGVXAUSA-N 0 1 290.366 3.991 20 30 CHEDMN CCC(CC)N(Cc1cc(C#N)cnc1Cl)C1CC1 ZINC000876570373 1124961462 /nfs/dbraw/zinc/96/14/62/1124961462.db2.gz BEDMVPVWQSDPEX-UHFFFAOYSA-N 0 1 277.799 3.760 20 30 CHEDMN C#CCCCCCCN1CCCC[C@H]1c1ncc[nH]1 ZINC000876655978 1124968685 /nfs/dbraw/zinc/96/86/85/1124968685.db2.gz AOGSSNPTLMOZHA-HNNXBMFYSA-N 0 1 259.397 3.520 20 30 CHEDMN CC(C)[C@@H]1CCCCN1Cc1cc(C#N)cnc1Cl ZINC000876741820 1124975204 /nfs/dbraw/zinc/97/52/04/1124975204.db2.gz VYIHUCJDRVNYCG-AWEZNQCLSA-N 0 1 277.799 3.617 20 30 CHEDMN CC[C@H](NCc1cc(C#N)cnc1Cl)c1ccccc1 ZINC000876989089 1124994616 /nfs/dbraw/zinc/99/46/16/1124994616.db2.gz UWWYJGDDTOXDQB-HNNXBMFYSA-N 0 1 285.778 3.848 20 30 CHEDMN C#C[C@@H](N[C@H](C)CSCCF)c1ccc(Cl)cc1 ZINC000825949646 1125019984 /nfs/dbraw/zinc/01/99/84/1125019984.db2.gz YOFLHDPHDIQTKR-BXUZGUMPSA-N 0 1 285.815 3.695 20 30 CHEDMN C[C@@H]1C[C@H](c2cccc(F)c2)N(CC2(C#N)CCC2)C1 ZINC000450438526 1125026433 /nfs/dbraw/zinc/02/64/33/1125026433.db2.gz KQCYFUMVYYIVHT-CZUORRHYSA-N 0 1 272.367 3.902 20 30 CHEDMN C#C[C@@H](NC[C@@H](C)CCC#N)c1ccc(Cl)cc1F ZINC000877517890 1125039016 /nfs/dbraw/zinc/03/90/16/1125039016.db2.gz QTYPMOSAIAXUQB-XHDPSFHLSA-N 0 1 278.758 3.683 20 30 CHEDMN COc1ccc([C@H](NCC2(C#N)CCC2)C(C)C)cc1 ZINC000450663579 1125080927 /nfs/dbraw/zinc/08/09/27/1125080927.db2.gz SCFPTTJLUPQZMR-MRXNPFEDSA-N 0 1 272.392 3.676 20 30 CHEDMN C[C@@H](C#N)CN(CCCSC(C)(C)C)C1CC1 ZINC000878299092 1125139202 /nfs/dbraw/zinc/13/92/02/1125139202.db2.gz NEVJKTSEGHGBBY-LBPRGKRZSA-N 0 1 254.443 3.532 20 30 CHEDMN C=CC(C)(C)CC(=O)Nc1[nH]nc(-c2ccncc2)c1CC ZINC000878437602 1125152932 /nfs/dbraw/zinc/15/29/32/1125152932.db2.gz XREPASNGPYHZAC-UHFFFAOYSA-N 0 1 298.390 3.575 20 30 CHEDMN CC[C@H](CC#N)NC[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000878698854 1125172893 /nfs/dbraw/zinc/17/28/93/1125172893.db2.gz ITNXDUNFTSAKGM-IXDOHACOSA-N 0 1 272.392 3.579 20 30 CHEDMN Cc1cncc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)c1 ZINC000879748402 1125230243 /nfs/dbraw/zinc/23/02/43/1125230243.db2.gz JAWKSCCQVMGMPU-SFHVURJKSA-N 0 1 277.371 3.599 20 30 CHEDMN Cc1cncc([C@@H]2CCCN2Cc2ccc(C#N)cc2)c1 ZINC000879748402 1125230247 /nfs/dbraw/zinc/23/02/47/1125230247.db2.gz JAWKSCCQVMGMPU-SFHVURJKSA-N 0 1 277.371 3.599 20 30 CHEDMN C=CCCC[C@H](NCc1ccno1)c1ccccc1 ZINC000880389482 1125270875 /nfs/dbraw/zinc/27/08/75/1125270875.db2.gz VHYAPTMHTQGHBU-INIZCTEOSA-N 0 1 256.349 3.862 20 30 CHEDMN C=CCCC[C@H](NCc1cc(OC)no1)c1ccccc1 ZINC000880390874 1125272961 /nfs/dbraw/zinc/27/29/61/1125272961.db2.gz XMGNGNDKFJVWQH-INIZCTEOSA-N 0 1 286.375 3.870 20 30 CHEDMN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2ccc(F)cc2C#N)C1 ZINC000475725827 1125281081 /nfs/dbraw/zinc/28/10/81/1125281081.db2.gz FQNQPIXPJSQJDF-JHJVBQTASA-N 0 1 260.356 3.564 20 30 CHEDMN C=CCC[C@@H](NCc1cnc(C)o1)c1ccccc1 ZINC000666167203 1125305290 /nfs/dbraw/zinc/30/52/90/1125305290.db2.gz ZMOPUYFXVVCLHT-MRXNPFEDSA-N 0 1 256.349 3.780 20 30 CHEDMN Cc1cccc([C@@H]2CCC[N@H+]2CC#Cc2ccccc2)n1 ZINC000192075832 1125330242 /nfs/dbraw/zinc/33/02/42/1125330242.db2.gz PMRMALYUGZCPQA-IBGZPJMESA-N 0 1 276.383 3.579 20 30 CHEDMN Cc1cccc([C@@H]2CCCN2CC#Cc2ccccc2)n1 ZINC000192075832 1125330245 /nfs/dbraw/zinc/33/02/45/1125330245.db2.gz PMRMALYUGZCPQA-IBGZPJMESA-N 0 1 276.383 3.579 20 30 CHEDMN C=CCCC[C@H](NC(=O)CCc1cnc[nH]1)c1ccccc1 ZINC000882235169 1125341790 /nfs/dbraw/zinc/34/17/90/1125341790.db2.gz HYZKDSACAAZARY-KRWDZBQOSA-N 0 1 297.402 3.556 20 30 CHEDMN CCN(CCC#N)[C@@H](C)Cc1ccc(Cl)cc1 ZINC001168178376 1125342052 /nfs/dbraw/zinc/34/20/52/1125342052.db2.gz CHHAWHWLSDPPMK-LBPRGKRZSA-N 0 1 250.773 3.507 20 30 CHEDMN Cn1cc(CN(Cc2ccc(Cl)cc2)C2CC2)cc1C#N ZINC000191224099 1125345557 /nfs/dbraw/zinc/34/55/57/1125345557.db2.gz ATINKMXPLWHKSM-UHFFFAOYSA-N 0 1 299.805 3.715 20 30 CHEDMN Cc1ccc([C@H]2CCCCCN2Cc2cc(C#N)n(C)c2)o1 ZINC000191384712 1125359872 /nfs/dbraw/zinc/35/98/72/1125359872.db2.gz HAXPMRDLVBMTMO-QGZVFWFLSA-N 0 1 297.402 3.916 20 30 CHEDMN CN(C)c1ccc(CN[C@@H](CCC#N)c2ccccc2)cc1 ZINC000130406208 1125360217 /nfs/dbraw/zinc/36/02/17/1125360217.db2.gz ZCVFEEJRMZFJAN-IBGZPJMESA-N 0 1 293.414 3.887 20 30 CHEDMN C[C@@H](NCc1cnc(C2CC2)s1)c1cccc(C#N)c1 ZINC000610771512 1125375386 /nfs/dbraw/zinc/37/53/86/1125375386.db2.gz BQUOTOQPGWCJJU-LLVKDONJSA-N 0 1 283.400 3.743 20 30 CHEDMN C=C(C)CN(Cc1ccccc1)Cc1cnccc1C ZINC000348238251 1125426932 /nfs/dbraw/zinc/42/69/32/1125426932.db2.gz OGVGVJZJYHCHSR-UHFFFAOYSA-N 0 1 266.388 3.968 20 30 CHEDMN C[C@@H](NCc1cnc(Cl)s1)c1cccc(C#N)c1 ZINC000718211765 1129259246 /nfs/dbraw/zinc/25/92/46/1129259246.db2.gz MNOIGRASEDUJDB-SECBINFHSA-N 0 1 277.780 3.519 20 30 CHEDMN CCOc1ccc(C=NNc2cc(F)c(F)cc2F)cc1 ZINC000734301944 1129300598 /nfs/dbraw/zinc/30/05/98/1129300598.db2.gz URHVOLZTFQBTJB-UHFFFAOYSA-N 0 1 294.276 3.949 20 30 CHEDMN C=C(Br)CN1C[C@H](c2ccccc2)C[C@H]1C ZINC000734641187 1129316416 /nfs/dbraw/zinc/31/64/16/1129316416.db2.gz XCCJDFSLCHSWNP-TZMCWYRMSA-N 0 1 280.209 3.773 20 30 CHEDMN C=C(Br)CN1C[C@@H](c2ccccc2)C[C@H]1C ZINC000734641186 1129317057 /nfs/dbraw/zinc/31/70/57/1129317057.db2.gz XCCJDFSLCHSWNP-OCCSQVGLSA-N 0 1 280.209 3.773 20 30 CHEDMN C=CC1CCN(Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000735309194 1129340167 /nfs/dbraw/zinc/34/01/67/1129340167.db2.gz IWXLNGITWMGNKC-UHFFFAOYSA-N 0 1 290.794 3.640 20 30 CHEDMN CC(=NNc1cccnn1)c1cc(Cl)sc1Cl ZINC000735976638 1129362433 /nfs/dbraw/zinc/36/24/33/1129362433.db2.gz KSOFGULSEJICEJ-UHFFFAOYSA-N 0 1 287.175 3.681 20 30 CHEDMN C=C(Cl)CN1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000247364910 1129368464 /nfs/dbraw/zinc/36/84/64/1129368464.db2.gz HLLICHYNPFJCQZ-ZIAGYGMSSA-N 0 1 283.799 3.700 20 30 CHEDMN CCCCCCC[C@H](C)CNC(=O)NCc1cc(C)[nH]n1 ZINC000738457349 1129394764 /nfs/dbraw/zinc/39/47/64/1129394764.db2.gz RYYSARQHBBOASP-ZDUSSCGKSA-N 0 1 294.443 3.514 20 30 CHEDMN CC[C@@H](CC#N)NCCc1ccc(Cl)c(Cl)c1 ZINC000716285221 1129401112 /nfs/dbraw/zinc/40/11/12/1129401112.db2.gz SPCBLIZTJZTHLG-NSHDSACASA-N 0 1 271.191 3.818 20 30 CHEDMN C[C@H](c1ccccn1)N(C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000248582129 1129423115 /nfs/dbraw/zinc/42/31/15/1129423115.db2.gz FMZBMVLQVAQFDO-LSDHHAIUSA-N 0 1 295.386 3.565 20 30 CHEDMN COCc1ccc(C=NNc2nc3ccccc3s2)cc1 ZINC000741760185 1129449854 /nfs/dbraw/zinc/44/98/54/1129449854.db2.gz SFTSNDJQYAEWPN-UHFFFAOYSA-N 0 1 297.383 3.889 20 30 CHEDMN COCc1ccc(C=[NH+][N-]c2nc3ccccc3s2)cc1 ZINC000741760185 1129449857 /nfs/dbraw/zinc/44/98/57/1129449857.db2.gz SFTSNDJQYAEWPN-UHFFFAOYSA-N 0 1 297.383 3.889 20 30 CHEDMN N#Cc1ccc(F)c(CNC/C=C\c2ccccc2)c1 ZINC000742381883 1129473127 /nfs/dbraw/zinc/47/31/27/1129473127.db2.gz QFTRWROSXQLBMB-DAXSKMNVSA-N 0 1 266.319 3.500 20 30 CHEDMN C=CCOc1cccc(CNCc2c(C)cccc2F)c1 ZINC000742380353 1129473176 /nfs/dbraw/zinc/47/31/76/1129473176.db2.gz MJTNNDIBFDFREX-UHFFFAOYSA-N 0 1 285.362 3.989 20 30 CHEDMN COc1ccc(C=NNc2cccc(F)c2F)cc1C ZINC000743443287 1129524704 /nfs/dbraw/zinc/52/47/04/1129524704.db2.gz VETPJQSROMTEMF-UHFFFAOYSA-N 0 1 276.286 3.728 20 30 CHEDMN Cc1ccc2c(c1)CCC2N=Nc1ccc(Cl)nc1 ZINC000743451954 1129525899 /nfs/dbraw/zinc/52/58/99/1129525899.db2.gz ORJPQXHWPSNUTE-UHFFFAOYSA-N 0 1 271.751 3.806 20 30 CHEDMN Clc1ccc(C#CCN2CC[C@@H](c3ccncc3)C2)cc1 ZINC000647933876 1129587839 /nfs/dbraw/zinc/58/78/39/1129587839.db2.gz JMGWSCUVXYFPCO-QGZVFWFLSA-N 0 1 296.801 3.576 20 30 CHEDMN C=C1CCN(Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000648368764 1129604127 /nfs/dbraw/zinc/60/41/27/1129604127.db2.gz XFXZYWHQANUONJ-UHFFFAOYSA-N 0 1 262.740 3.633 20 30 CHEDMN COc1ccc(C#N)cc1CN1Cc2ccccc2[C@H](C)C1 ZINC000746309362 1129630675 /nfs/dbraw/zinc/63/06/75/1129630675.db2.gz ANRWOKKLGCWHPC-CQSZACIVSA-N 0 1 292.382 3.686 20 30 CHEDMN C=CCCCC[NH+]1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000649359696 1129641260 /nfs/dbraw/zinc/64/12/60/1129641260.db2.gz ACMXSRNJFFIPNR-UHFFFAOYSA-N 0 1 287.403 3.643 20 30 CHEDMN Cc1cc(/C=C/C(=O)c2ccc(O)c(F)c2)ccc1C#N ZINC000766491827 1129670426 /nfs/dbraw/zinc/67/04/26/1129670426.db2.gz RMLYZHACSDDGJN-ZZXKWVIFSA-N 0 1 281.286 3.608 20 30 CHEDMN CCc1ccc([C@H](CO)N[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000305766249 1129673683 /nfs/dbraw/zinc/67/36/83/1129673683.db2.gz FGKXAFWLYFKGAG-KUHUBIRLSA-N 0 1 294.398 3.505 20 30 CHEDMN Fc1cccc(C=NN=c2[nH]c3ccccc3s2)c1 ZINC000254295179 1129682087 /nfs/dbraw/zinc/68/20/87/1129682087.db2.gz ZRULDEIMPHJRAG-UHFFFAOYSA-N 0 1 271.320 3.881 20 30 CHEDMN C=C[C@@H](O)CN(C)Cc1sc2ccccc2c1Cl ZINC001253583322 1129710362 /nfs/dbraw/zinc/71/03/62/1129710362.db2.gz FLLKLGMUQQWHMV-SNVBAGLBSA-N 0 1 281.808 3.533 20 30 CHEDMN Cc1oc(Nc2ccc(Cl)c(O)c2)c(C#N)c1C ZINC001212589493 1129718735 /nfs/dbraw/zinc/71/87/35/1129718735.db2.gz OJTJJIJGAXZJIZ-UHFFFAOYSA-N 0 1 262.696 3.871 20 30 CHEDMN Cc1ccc(Nc2ccc(Cl)c(O)c2)c(C#N)c1 ZINC001212592237 1129743670 /nfs/dbraw/zinc/74/36/70/1129743670.db2.gz GBFBCPVNWTVDMJ-UHFFFAOYSA-N 0 1 258.708 3.969 20 30 CHEDMN C=CC[C@@H]1CC[C@@H](N[C@@H](c2nc(C3CC3)no2)C(C)C)C1 ZINC000651751865 1129746994 /nfs/dbraw/zinc/74/69/94/1129746994.db2.gz LAMPBKUVQIHSIQ-BPLDGKMQSA-N 0 1 289.423 3.979 20 30 CHEDMN CC(=O)c1ccc(Nc2ccc(Cl)c(O)c2)c(C#N)c1 ZINC001212594024 1129750534 /nfs/dbraw/zinc/75/05/34/1129750534.db2.gz PTXJFMGGTCEJQR-UHFFFAOYSA-N 0 1 286.718 3.863 20 30 CHEDMN Cc1nc2cc(NC34CCC(C#N)(CC3)CC4)ccc2[nH]1 ZINC001169751075 1129752592 /nfs/dbraw/zinc/75/25/92/1129752592.db2.gz WBARGWSMAXVGCZ-UHFFFAOYSA-N 0 1 280.375 3.900 20 30 CHEDMN COc1cc(C)ccc1C(C)=NNc1nc2ccccc2[nH]1 ZINC000767062295 1129774988 /nfs/dbraw/zinc/77/49/88/1129774988.db2.gz KXUWPLNKBOEVFY-UHFFFAOYSA-N 0 1 294.358 3.716 20 30 CHEDMN Fc1cc(F)c(CN=Nc2ncccc2Cl)cc1F ZINC000767777705 1129812850 /nfs/dbraw/zinc/81/28/50/1129812850.db2.gz XLLVJWAHXYVHDU-UHFFFAOYSA-N 0 1 285.656 3.598 20 30 CHEDMN C/C(=C\c1ccccc1)CN(CCC#N)CC(C)C ZINC000768153298 1129836279 /nfs/dbraw/zinc/83/62/79/1129836279.db2.gz CUAKIGLYYUJNEC-FOWTUZBSSA-N 0 1 256.393 3.962 20 30 CHEDMN Cc1cc(C#N)ccc1-c1nc[nH]c2nc(=S)sc1-2 ZINC001242472222 1129861063 /nfs/dbraw/zinc/86/10/63/1129861063.db2.gz QAZRXSRAQSWVCB-UHFFFAOYSA-N 0 1 284.369 3.548 20 30 CHEDMN C=CCN(Cc1cnc(CC(C)C)s1)C(C)C ZINC000768552499 1129862266 /nfs/dbraw/zinc/86/22/66/1129862266.db2.gz VOKMOMFGXUXLFM-UHFFFAOYSA-N 0 1 252.427 3.738 20 30 CHEDMN C=CCN(Cc1cnc(C)n1-c1ccccc1)C(C)C ZINC000768548082 1129864164 /nfs/dbraw/zinc/86/41/64/1129864164.db2.gz WBKBSRJFCLLXGI-UHFFFAOYSA-N 0 1 269.392 3.577 20 30 CHEDMN COc1ccc(CN[C@H](C)c2cc(C)c(C)o2)cc1C#N ZINC000800481896 1129877746 /nfs/dbraw/zinc/87/77/46/1129877746.db2.gz JBRJYHPRBFJTTH-GFCCVEGCSA-N 0 1 284.359 3.628 20 30 CHEDMN CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@H]2C[C@@H]2C)cc1 ZINC000769280637 1129900056 /nfs/dbraw/zinc/90/00/56/1129900056.db2.gz BENZZHVNDAOXPH-KNPMLCFXSA-N 0 1 298.386 3.503 20 30 CHEDMN C#C[C@H](C)N(C)Cc1cc(=O)oc2cc(C)c(C(C)C)cc12 ZINC000769975418 1129933878 /nfs/dbraw/zinc/93/38/78/1129933878.db2.gz GBFZJVPEASNYAN-AWEZNQCLSA-N 0 1 297.398 3.678 20 30 CHEDMN Cc1nc2c(n1CCCCC1(C#N)CCC1)CCCC2 ZINC000901556874 1129936341 /nfs/dbraw/zinc/93/63/41/1129936341.db2.gz HUSNWTVYMMUCBN-UHFFFAOYSA-N 0 1 271.408 3.935 20 30 CHEDMN SCCCNc1ccc2nc(-c3ccccc3)[nH]c2c1 ZINC001171003288 1131411307 /nfs/dbraw/zinc/41/13/07/1131411307.db2.gz SFDIHIHUNAJCAB-UHFFFAOYSA-N 0 1 283.400 3.962 20 30 CHEDMN Cc1ccc(C(=O)/C=C/c2cnc3ccc(C)cn23)c(O)c1 ZINC000771859571 1129994070 /nfs/dbraw/zinc/99/40/70/1129994070.db2.gz NTSJJTCLKMIRNJ-FNORWQNLSA-N 0 1 292.338 3.553 20 30 CHEDMN C=CCCCOC(=O)c1[nH]c(-c2cccc(C)c2)nc1C ZINC000772104887 1130004806 /nfs/dbraw/zinc/00/48/06/1130004806.db2.gz CQHLULSEAYLGDP-UHFFFAOYSA-N 0 1 284.359 3.817 20 30 CHEDMN C(=NNc1nncc2ccccc21)c1coc2ccccc12 ZINC000746558173 1130052438 /nfs/dbraw/zinc/05/24/38/1130052438.db2.gz HXMIDAFCRGALJP-UHFFFAOYSA-N 0 1 288.310 3.822 20 30 CHEDMN C[C@@H](CN1CCO[C@H](c2cccc(C#N)c2)C1)C(C)(C)C ZINC000802641880 1130024957 /nfs/dbraw/zinc/02/49/57/1130024957.db2.gz JNDHKBOZYIZCFO-YOEHRIQHSA-N 0 1 286.419 3.614 20 30 CHEDMN CC[C@@H](N[C@@H](C)c1ccccn1)c1cccc(C#N)c1 ZINC000902720991 1130044071 /nfs/dbraw/zinc/04/40/71/1130044071.db2.gz RVEFXPBTLLRJJD-XJKSGUPXSA-N 0 1 265.360 3.755 20 30 CHEDMN C[C@H](N[C@H](c1ccccc1)C1CC1)c1cc(C#N)ccn1 ZINC000902731656 1130047776 /nfs/dbraw/zinc/04/77/76/1130047776.db2.gz NPQZSESCFKHKHV-SCLBCKFNSA-N 0 1 277.371 3.755 20 30 CHEDMN CC[C@@H](NCc1ccoc1C)c1cccc(C#N)c1 ZINC000902772439 1130055108 /nfs/dbraw/zinc/05/51/08/1130055108.db2.gz RIHLGTZKKAQELQ-MRXNPFEDSA-N 0 1 254.333 3.701 20 30 CHEDMN C=C[C@@H]1CCCCN1C[C@H](O)c1ccc(F)cc1Cl ZINC000785997003 1130072167 /nfs/dbraw/zinc/07/21/67/1130072167.db2.gz JFJWBZCALAQCFQ-DOMZBBRYSA-N 0 1 283.774 3.553 20 30 CHEDMN c1oc2ccccc2c1CN=Nc1cnc2ccccc2n1 ZINC000746575447 1130086451 /nfs/dbraw/zinc/08/64/51/1130086451.db2.gz HGKAXVPUJJFWGN-UHFFFAOYSA-N 0 1 288.310 3.822 20 30 CHEDMN C[C@@H](NCC1(C#N)CCC1)c1cc2c(s1)CCC2 ZINC000903032909 1130102868 /nfs/dbraw/zinc/10/28/68/1130102868.db2.gz MHHVEGDFYLDVRW-LLVKDONJSA-N 0 1 260.406 3.581 20 30 CHEDMN CC[C@H](NCc1cc(OC)ccc1F)c1cccc(C#N)c1 ZINC000903059122 1130107147 /nfs/dbraw/zinc/10/71/47/1130107147.db2.gz NEFZURQHNTVGIW-SFHVURJKSA-N 0 1 298.361 3.947 20 30 CHEDMN C[C@@H](N[C@@H]1CCc2ccc(Cl)cc21)c1cc(C#N)ccn1 ZINC000903072634 1130108448 /nfs/dbraw/zinc/10/84/48/1130108448.db2.gz OJRWXEOHVJCPON-BDJLRTHQSA-N 0 1 297.789 3.945 20 30 CHEDMN CC(C)(C#N)CN[C@H](CCc1cccnc1)c1ccccc1 ZINC000903102393 1130112195 /nfs/dbraw/zinc/11/21/95/1130112195.db2.gz XXFVOXDPXSKZKV-GOSISDBHSA-N 0 1 293.414 3.895 20 30 CHEDMN C[C@@H](NCC(C)(C)C#N)c1cccc(-c2ccncc2)c1 ZINC000903100008 1130112603 /nfs/dbraw/zinc/11/26/03/1130112603.db2.gz FYOCFWTYKRKPDO-CQSZACIVSA-N 0 1 279.387 3.949 20 30 CHEDMN Cc1cc(Cl)cc([C@@H](C)NCC(C)(C)C#N)c1O ZINC000903102297 1130112702 /nfs/dbraw/zinc/11/27/02/1130112702.db2.gz VTMWXDMMVVATMP-SNVBAGLBSA-N 0 1 266.772 3.554 20 30 CHEDMN C[C@H](NCC1(C#N)CC1)c1cccc(-c2ccncc2)c1 ZINC000903106912 1130113667 /nfs/dbraw/zinc/11/36/67/1130113667.db2.gz YLJXJMPPIPHSJA-AWEZNQCLSA-N 0 1 277.371 3.703 20 30 CHEDMN CC[C@H](NCC1(C#N)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000903107016 1130113909 /nfs/dbraw/zinc/11/39/09/1130113909.db2.gz ZMAZZQVHRZNQQH-ZDUSSCGKSA-N 0 1 298.308 3.930 20 30 CHEDMN CC(C)C[C@H](NCC1(C#N)CCCC1)c1ccncc1 ZINC000903108689 1130114868 /nfs/dbraw/zinc/11/48/68/1130114868.db2.gz FWUYHPPUFSXDIK-INIZCTEOSA-N 0 1 271.408 3.842 20 30 CHEDMN Cc1cc(N=NC(C)c2csc(Cl)c2)nc(C)n1 ZINC000787153284 1130133128 /nfs/dbraw/zinc/13/31/28/1130133128.db2.gz LNAMDSUDVWZQKH-UHFFFAOYSA-N 0 1 280.784 3.644 20 30 CHEDMN COc1ccc([C@@H](C)N[C@H](C)c2cc(C#N)ccn2)cc1C ZINC000903235302 1130134203 /nfs/dbraw/zinc/13/42/03/1130134203.db2.gz XQFSHOPMPVXKKI-ZIAGYGMSSA-N 0 1 295.386 3.682 20 30 CHEDMN C=CCCC[C@H](NCc1cn(C)nc1OC)c1ccccc1 ZINC000903344585 1130164258 /nfs/dbraw/zinc/16/42/58/1130164258.db2.gz IBYMQXZBNMNULK-KRWDZBQOSA-N 0 1 299.418 3.616 20 30 CHEDMN C#CC(C)(C)N(C)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000787997355 1130168239 /nfs/dbraw/zinc/16/82/39/1130168239.db2.gz LBPHYKWOJOKKOH-UHFFFAOYSA-N 0 1 288.778 3.839 20 30 CHEDMN C=CC[N@@H+](CC1CCCCC1)[C@H](C(=O)[O-])[C@H](C)CC ZINC000903597743 1130183667 /nfs/dbraw/zinc/18/36/67/1130183667.db2.gz OEYVUYQCOXGNQP-HIFRSBDPSA-N 0 1 267.413 3.554 20 30 CHEDMN C#C[C@H](CCC)/N=C\c1cc(Cl)cc(Cl)c1O ZINC000790098279 1130290699 /nfs/dbraw/zinc/29/06/99/1130290699.db2.gz FYWKIWHUIMGIAC-OUZNOSRWSA-N 0 1 270.159 3.920 20 30 CHEDMN Cc1ccc(-c2n[nH]cc2CN=Nc2ncccc2C)cc1 ZINC000790191552 1130297290 /nfs/dbraw/zinc/29/72/90/1130297290.db2.gz WGBWJHACYXYXLI-UHFFFAOYSA-N 0 1 291.358 3.535 20 30 CHEDMN Cc1cccnc1NN=Cc1cccc(-c2cccnc2)c1 ZINC000790191139 1130297385 /nfs/dbraw/zinc/29/73/85/1130297385.db2.gz SATODGYPWKSQOG-UHFFFAOYSA-N 0 1 288.354 3.898 20 30 CHEDMN CCSc1cccc(C=NNc2ncccc2C)c1 ZINC000790193907 1130297435 /nfs/dbraw/zinc/29/74/35/1130297435.db2.gz RXPYTLAEHZIQEE-UHFFFAOYSA-N 0 1 271.389 3.948 20 30 CHEDMN CCCCc1oc2ccccc2c1C=N[N-]c1[nH+]ccn1C ZINC000790301522 1130308543 /nfs/dbraw/zinc/30/85/43/1130308543.db2.gz FHBJMKLHUZYGSR-UHFFFAOYSA-N 0 1 296.374 3.955 20 30 CHEDMN O=[N+]([O-])c1c(F)cccc1NN=Cc1sccc1Cl ZINC000790309190 1130310507 /nfs/dbraw/zinc/31/05/07/1130310507.db2.gz YGNUGTHIHZMKDY-UHFFFAOYSA-N 0 1 299.714 3.895 20 30 CHEDMN COc1ccc(F)c(F)c1-c1cc(/C=N/O)ccc1F ZINC001240437110 1130312462 /nfs/dbraw/zinc/31/24/62/1130312462.db2.gz YBLADFJOIZWVDY-CNHKJKLMSA-N 0 1 281.233 3.588 20 30 CHEDMN COc1cc(-c2ccc(/C=N/O)c(F)c2)cc(F)c1F ZINC001240662235 1130407121 /nfs/dbraw/zinc/40/71/21/1130407121.db2.gz MELNRLRLUDULAI-CNHKJKLMSA-N 0 1 281.233 3.588 20 30 CHEDMN N#CC(C(=O)C1CCSCC1)c1nccc2ccccc21 ZINC000792097372 1130431655 /nfs/dbraw/zinc/43/16/55/1130431655.db2.gz VSLYGDHNLATAPT-HNNXBMFYSA-N 0 1 296.395 3.554 20 30 CHEDMN C[C@H](NCc1cnc(Cl)c(F)c1)c1ccc(C#N)cc1 ZINC001170235297 1130464556 /nfs/dbraw/zinc/46/45/56/1130464556.db2.gz YAVDYZQCWVZOLV-JTQLQIEISA-N 0 1 289.741 3.597 20 30 CHEDMN N#Cc1c(-c2ccc(O)c(F)c2)ccc2ncccc12 ZINC001240791276 1130474071 /nfs/dbraw/zinc/47/40/71/1130474071.db2.gz XUJQISPNVFMWCN-UHFFFAOYSA-N 0 1 264.259 3.618 20 30 CHEDMN N#Cc1nc(-c2ccc(C(F)(F)F)cc2)cc2[nH]cnc21 ZINC001240818391 1130484632 /nfs/dbraw/zinc/48/46/32/1130484632.db2.gz SRAFSAVDHKXPKI-UHFFFAOYSA-N 0 1 288.232 3.515 20 30 CHEDMN CC(=NNc1cccc(Cl)n1)c1coc(C(C)C)n1 ZINC000793160754 1130523151 /nfs/dbraw/zinc/52/31/51/1130523151.db2.gz DJLCVKVGPWIJIS-UHFFFAOYSA-N 0 1 278.743 3.683 20 30 CHEDMN Cc1ccncc1[C@@H](C)NCC#Cc1ccccc1Cl ZINC000679942393 1130563716 /nfs/dbraw/zinc/56/37/16/1130563716.db2.gz NGFWAZNQUCQQQA-CQSZACIVSA-N 0 1 284.790 3.746 20 30 CHEDMN Fc1cc(F)c(N=NCc2nc(Cl)cs2)cc1F ZINC000758110248 1130598158 /nfs/dbraw/zinc/59/81/58/1130598158.db2.gz MTVUMKDLWCNKFS-UHFFFAOYSA-N 0 1 291.685 3.660 20 30 CHEDMN Cc1ccc(CN=Nc2cncc(Br)c2)cc1 ZINC000758116683 1130598887 /nfs/dbraw/zinc/59/88/87/1130598887.db2.gz AZRGPWYEIHOXEC-UHFFFAOYSA-N 0 1 290.164 3.599 20 30 CHEDMN C=CCC(CC=C)C(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000758529607 1130616417 /nfs/dbraw/zinc/61/64/17/1130616417.db2.gz OIRKTQOCTJWXBG-AWEZNQCLSA-N 0 1 293.370 3.816 20 30 CHEDMN C=CCCCCCCCNC(=O)Cc1[nH]nc2ccccc21 ZINC000811591003 1130623214 /nfs/dbraw/zinc/62/32/14/1130623214.db2.gz VZNJEWJUYXSYSW-UHFFFAOYSA-N 0 1 299.418 3.748 20 30 CHEDMN CC(=NNc1ccc(C)cn1)c1nccc2ccccc21 ZINC000811641268 1130627958 /nfs/dbraw/zinc/62/79/58/1130627958.db2.gz UUZCGHHXGKAXPI-UHFFFAOYSA-N 0 1 276.343 3.774 20 30 CHEDMN N#Cc1ccc2c(c1)C(=O)/C(=C\c1ccc(O)c(Cl)c1)C2 ZINC000811692562 1130638288 /nfs/dbraw/zinc/63/82/88/1130638288.db2.gz BXRPLWGADKOGAI-ACAGNQJTSA-N 0 1 295.725 3.740 20 30 CHEDMN CC(=NNc1cc(C)ccc1F)c1ccc(O)cc1 ZINC000759653360 1130667102 /nfs/dbraw/zinc/66/71/02/1130667102.db2.gz PVUFTNWEPCIWAF-UHFFFAOYSA-N 0 1 258.296 3.676 20 30 CHEDMN N#Cc1ccc(F)c(CN[C@H]2CCc3c2cccc3F)c1 ZINC000747815059 1130713895 /nfs/dbraw/zinc/71/38/95/1130713895.db2.gz AICCBCZXEQHSTF-KRWDZBQOSA-N 0 1 284.309 3.614 20 30 CHEDMN C#C[C@@H](NCc1cc(Cl)ccc1O)c1ccc(F)cc1 ZINC000812794898 1130718183 /nfs/dbraw/zinc/71/81/83/1130718183.db2.gz GZVXVMMTYIZNHE-OAHLLOKOSA-N 0 1 289.737 3.649 20 30 CHEDMN C=CCN(Cc1ccccc1)Cc1cc(O)cc(OCC)c1 ZINC001235411161 1130740892 /nfs/dbraw/zinc/74/08/92/1130740892.db2.gz VDQXWCITAVTDGP-UHFFFAOYSA-N 0 1 297.398 3.979 20 30 CHEDMN N#CCc1ccccc1CN1CCSc2ccccc2C1 ZINC001235524710 1130751262 /nfs/dbraw/zinc/75/12/62/1130751262.db2.gz GNTXCZJGAFBLDY-UHFFFAOYSA-N 0 1 294.423 3.861 20 30 CHEDMN CCCCCCCN[C@@H](CO)c1c(F)cccc1F ZINC000782062808 1130753600 /nfs/dbraw/zinc/75/36/00/1130753600.db2.gz VTAWZFMZDSVZSY-AWEZNQCLSA-N 0 1 271.351 3.558 20 30 CHEDMN CCOc1ccc(C=NN=c2[nH]c3ccccc3[nH]2)cc1F ZINC000782128558 1130757094 /nfs/dbraw/zinc/75/70/94/1130757094.db2.gz ZOKRBBZIAXANFA-UHFFFAOYSA-N 0 1 298.321 3.547 20 30 CHEDMN O=C(/C=C\c1cc(F)c(O)c(F)c1)c1ccnc(Cl)c1 ZINC000782192882 1130759751 /nfs/dbraw/zinc/75/97/51/1130759751.db2.gz CDWDPUUTWOCQGB-UPHRSURJSA-N 0 1 295.672 3.615 20 30 CHEDMN Cc1nc(Cl)cc(NN=Cc2cc(Cl)cs2)n1 ZINC000782233241 1130764640 /nfs/dbraw/zinc/76/46/40/1130764640.db2.gz TYGQRNAJTUIJMG-UHFFFAOYSA-N 0 1 287.175 3.599 20 30 CHEDMN CN(C)Cc1cccc(-c2ccc(F)c(C#N)c2)c1F ZINC001235897841 1130797892 /nfs/dbraw/zinc/79/78/92/1130797892.db2.gz RAQXHTFJJRXRMI-UHFFFAOYSA-N 0 1 272.298 3.565 20 30 CHEDMN C=CC(=NCOC)N[C@@H](C)c1ccccc1C(F)(F)F ZINC001170737492 1130858900 /nfs/dbraw/zinc/85/89/00/1130858900.db2.gz MOEMWGOQEDBZTR-JTQLQIEISA-N 0 1 286.297 3.544 20 30 CHEDMN CSc1ccc(C=NNc2ccccc2[N+](=O)[O-])s1 ZINC000814685340 1130894933 /nfs/dbraw/zinc/89/49/33/1130894933.db2.gz GNAUKDWSQDOYSD-UHFFFAOYSA-N 0 1 293.373 3.824 20 30 CHEDMN Clc1ncccc1C=NN=c1ccc2ccccc2[nH]1 ZINC000814697515 1130897047 /nfs/dbraw/zinc/89/70/47/1130897047.db2.gz RIXMPJLEQSUHOZ-UHFFFAOYSA-N 0 1 282.734 3.729 20 30 CHEDMN N#Cc1nc(C2=CC[C@H](C(F)(F)F)CC2)cc2[nH]cnc21 ZINC001236247601 1130904517 /nfs/dbraw/zinc/90/45/17/1130904517.db2.gz UPEBKRDDNXZDRP-VIFPVBQESA-N 0 1 292.264 3.575 20 30 CHEDMN O=c1[nH]c(N=NCCC2CCCCC2)nc2ccccc21 ZINC000814868788 1130926151 /nfs/dbraw/zinc/92/61/51/1130926151.db2.gz JDFGNWSNARNFAE-UHFFFAOYSA-N 0 1 284.363 3.704 20 30 CHEDMN CC(=NNc1cncnc1)c1ccc(F)c2ccccc12 ZINC000814927086 1130937776 /nfs/dbraw/zinc/93/77/76/1130937776.db2.gz WHVPKKAUFYBWDZ-UHFFFAOYSA-N 0 1 280.306 3.605 20 30 CHEDMN CCC(N=Nc1ccc(F)cc1OC)c1ccc(F)cn1 ZINC000814915600 1130942170 /nfs/dbraw/zinc/94/21/70/1130942170.db2.gz BATPIERFMXUWKJ-UHFFFAOYSA-N 0 1 291.301 3.595 20 30 CHEDMN CC(=NNc1ccc(F)c(F)c1F)c1cccc(O)c1 ZINC000814945565 1130943464 /nfs/dbraw/zinc/94/34/64/1130943464.db2.gz FPIRKIKMKHZVSP-UHFFFAOYSA-N 0 1 280.249 3.646 20 30 CHEDMN 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1124852452 /nfs/dbraw/zinc/85/24/52/1124852452.db2.gz BIWGXHDNIYMVMY-UHFFFAOYSA-N 0 1 290.754 3.629 20 30 CHEDMN CC(C)CCn1cccc1CNCc1ccc(C#N)c(F)c1 ZINC000449733844 1124853627 /nfs/dbraw/zinc/85/36/27/1124853627.db2.gz KNEDIHHCBJDEKB-UHFFFAOYSA-N 0 1 299.393 3.835 20 30 CHEDMN COc1cccc(/C=C/C(=O)c2cccc(CN(C)C)c2)c1 ZINC000821021691 1131315008 /nfs/dbraw/zinc/31/50/08/1131315008.db2.gz KOVUFLAELKQZGK-ZHACJKMWSA-N 0 1 295.382 3.653 20 30 CHEDMN CN(C)Cc1cccc(C(=O)/C=C/c2ccc(C#N)cc2)c1 ZINC000821021974 1131315088 /nfs/dbraw/zinc/31/50/88/1131315088.db2.gz LIQGXIUTUNHMLY-ZHACJKMWSA-N 0 1 290.366 3.516 20 30 CHEDMN N#CC(C(=O)[C@@H]1CCCC12CC2)c1nccc2ccccc21 ZINC000528999740 1124876144 /nfs/dbraw/zinc/87/61/44/1124876144.db2.gz PBJZGYVRTJVJGW-CVEARBPZSA-N 0 1 290.366 3.991 20 30 CHEDMN CCCCCCCOC(=O)N[C@H]1CNCc2ccsc21 ZINC001239319155 1131316392 /nfs/dbraw/zinc/31/63/92/1131316392.db2.gz XDKDDXQAXJUOGA-ZDUSSCGKSA-N 0 1 296.436 3.589 20 30 CHEDMN COCCCCN(Cc1ccccc1)CC1(C#N)CCC1 ZINC000450283316 1124970916 /nfs/dbraw/zinc/97/09/16/1124970916.db2.gz DEHIORDQAASHMA-UHFFFAOYSA-N 0 1 286.419 3.609 20 30 CHEDMN C=CCC1(C(=O)NCc2nc3cccc(C)c3[nH]2)CCCC1 ZINC000450314930 1124979390 /nfs/dbraw/zinc/97/93/90/1124979390.db2.gz VOJOYPUOPZOYIE-UHFFFAOYSA-N 0 1 297.402 3.624 20 30 CHEDMN C#CCCCCCCN[C@H](c1nccn1C)c1ccccc1 ZINC000876921425 1124990140 /nfs/dbraw/zinc/99/01/40/1124990140.db2.gz OSZSPDUZYXMYCA-SFHVURJKSA-N 0 1 295.430 3.683 20 30 CHEDMN C#CCCCCCCN[C@@H](c1nccn1C)c1ccccc1 ZINC000876921424 1124990450 /nfs/dbraw/zinc/99/04/50/1124990450.db2.gz OSZSPDUZYXMYCA-GOSISDBHSA-N 0 1 295.430 3.683 20 30 CHEDMN C#CCCCCCCNCc1csc([C@H](C)OC)n1 ZINC000877074178 1125005523 /nfs/dbraw/zinc/00/55/23/1125005523.db2.gz BFKAJSBJVHVXGD-ZDUSSCGKSA-N 0 1 280.437 3.524 20 30 CHEDMN C=CCC[C@H](NCc1ccc(Cl)nn1)c1ccccc1 ZINC000877116671 1125011862 /nfs/dbraw/zinc/01/18/62/1125011862.db2.gz SSJFKACIAHUGQX-HNNXBMFYSA-N 0 1 287.794 3.927 20 30 CHEDMN C[C@H](Cc1ccc(Cl)cc1)N(C)CC1(C#N)CCC1 ZINC000450426104 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N#CC1(CN(C2CC2)[C@H]2CCc3ccccc32)CCC1 ZINC000450517914 1125049867 /nfs/dbraw/zinc/04/98/67/1125049867.db2.gz GZPJGNADELQWMW-KRWDZBQOSA-N 0 1 266.388 3.832 20 30 CHEDMN N#CCC1(CN(Cc2ccco2)Cc2ccccc2O)CC1 ZINC000878240449 1125134267 /nfs/dbraw/zinc/13/42/67/1125134267.db2.gz HWDUABRDHGPXME-UHFFFAOYSA-N 0 1 296.370 3.681 20 30 CHEDMN C[C@H](C#N)CN(CCCSC(C)(C)C)C1CC1 ZINC000878299091 1125139283 /nfs/dbraw/zinc/13/92/83/1125139283.db2.gz NEVJKTSEGHGBBY-GFCCVEGCSA-N 0 1 254.443 3.532 20 30 CHEDMN C[C@@H](C#N)Oc1ccc(CN2CCc3ccsc3C2)cc1 ZINC000127057539 1125143275 /nfs/dbraw/zinc/14/32/75/1125143275.db2.gz AZQZWJVQPVPMDH-ZDUSSCGKSA-N 0 1 298.411 3.597 20 30 CHEDMN Cc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)nc1Cl ZINC000878356279 1125144977 /nfs/dbraw/zinc/14/49/77/1125144977.db2.gz SOPRGWKGNIPNFV-LBPRGKRZSA-N 0 1 285.778 3.766 20 30 CHEDMN C=C(Cl)CNCc1ccc(OCCCC)cc1 ZINC000127328025 1125178338 /nfs/dbraw/zinc/17/83/38/1125178338.db2.gz IJUSVPGWMBSVJG-UHFFFAOYSA-N 0 1 253.773 3.708 20 30 CHEDMN C=CCC1(NCc2nc3c(o2)CCCC3)CCCC1 ZINC000878954543 1125187758 /nfs/dbraw/zinc/18/77/58/1125187758.db2.gz XIYHKWIKONBBGT-UHFFFAOYSA-N 0 1 260.381 3.532 20 30 CHEDMN N#CCSCCCN1CCC[C@](F)(c2ccccc2)C1 ZINC000879479201 1125216544 /nfs/dbraw/zinc/21/65/44/1125216544.db2.gz KWLCNSSFDWOINO-MRXNPFEDSA-N 0 1 292.423 3.594 20 30 CHEDMN CN(CCc1ccccc1F)Cc1cc(C#N)ccc1F ZINC000109336053 1125269138 /nfs/dbraw/zinc/26/91/38/1125269138.db2.gz MXJVAHCIFVSOFL-UHFFFAOYSA-N 0 1 286.325 3.511 20 30 CHEDMN C=CCCC[C@@H](C(=O)N(C)Cc1cnc[nH]1)c1ccccc1 ZINC000880657559 1125284153 /nfs/dbraw/zinc/28/41/53/1125284153.db2.gz YDKKKQRQZUOVHS-QGZVFWFLSA-N 0 1 297.402 3.508 20 30 CHEDMN C[C@@H](C#N)Oc1ccc(CN(C)[C@@H](C)c2ccco2)cc1 ZINC000131067095 1125372713 /nfs/dbraw/zinc/37/27/13/1125372713.db2.gz GAYRNMHJIFQQPX-KBPBESRZSA-N 0 1 284.359 3.763 20 30 CHEDMN C=CCC[C@H](COc1ccccc1)NCc1cscn1 ZINC000883182615 1125374873 /nfs/dbraw/zinc/37/48/73/1125374873.db2.gz GXHIAWGBWMIBKR-CQSZACIVSA-N 0 1 288.416 3.647 20 30 CHEDMN C=CCC[C@@H](COc1ccccc1)NCc1cscn1 ZINC000883182614 1125374995 /nfs/dbraw/zinc/37/49/95/1125374995.db2.gz GXHIAWGBWMIBKR-AWEZNQCLSA-N 0 1 288.416 3.647 20 30 CHEDMN C[C@@H](NCc1cc(C#N)ccc1F)c1ccccc1 ZINC000020035414 1125385383 /nfs/dbraw/zinc/38/53/83/1125385383.db2.gz YFLYDCYYGDZHCF-GFCCVEGCSA-N 0 1 254.308 3.548 20 30 CHEDMN N#C[C@@H]1CCC[C@H](N[C@H]2c3ccccc3CC[C@@H]2F)C1 ZINC000883376665 1125404128 /nfs/dbraw/zinc/40/41/28/1125404128.db2.gz QHYRXUZPUUYKAK-QCPWZWHMSA-N 0 1 272.367 3.684 20 30 CHEDMN Cc1csc(C(C#N)C(=O)c2cc(C)c(C)s2)n1 ZINC000041520953 1125433795 /nfs/dbraw/zinc/43/37/95/1125433795.db2.gz QGQPWWQTKYJSCE-SNVBAGLBSA-N 0 1 276.386 3.620 20 30 CHEDMN N#CC(C(=O)c1cccs1)c1ccc(C(F)(F)F)cn1 ZINC000041555304 1125434144 /nfs/dbraw/zinc/43/41/44/1125434144.db2.gz WPFHCNKXKPUQLE-SECBINFHSA-N 0 1 296.273 3.652 20 30 CHEDMN N#CCCCN1CCC[C@@H]1c1ccccc1Br ZINC000126013783 1125452189 /nfs/dbraw/zinc/45/21/89/1125452189.db2.gz KQONOOYUMMZPLJ-CQSZACIVSA-N 0 1 293.208 3.890 20 30 CHEDMN CC[C@H](C)N(CCCC(C)(C)C#N)CC(=O)OC(C)(C)C ZINC000159228321 1129193855 /nfs/dbraw/zinc/19/38/55/1129193855.db2.gz DQXFMAMSTNSWAO-AWEZNQCLSA-N 0 1 296.455 3.759 20 30 CHEDMN C=CCN(CCc1ccccc1)[C@@H](c1nccn1C)C1CC1 ZINC000637974594 1129239237 /nfs/dbraw/zinc/23/92/37/1129239237.db2.gz PHIREAQQQQUWOZ-GOSISDBHSA-N 0 1 295.430 3.602 20 30 CHEDMN CCCn1cccc1C=NNc1cc(F)c(F)cc1F ZINC000734301725 1129299853 /nfs/dbraw/zinc/29/98/53/1129299853.db2.gz MKWQLWSVLONWFF-UHFFFAOYSA-N 0 1 281.281 3.761 20 30 CHEDMN Fc1cc(F)c(NN=Cc2ccccc2)cc1F ZINC000734302479 1129300354 /nfs/dbraw/zinc/30/03/54/1129300354.db2.gz FXJYHKXCFJOJEH-UHFFFAOYSA-N 0 1 250.223 3.550 20 30 CHEDMN Cc1cccc2nc([C@H](C#N)C(=O)C3CCCCC3)[nH]c21 ZINC000735790402 1129357889 /nfs/dbraw/zinc/35/78/89/1129357889.db2.gz XGIKBWRDQVZNKY-CYBMUJFWSA-N 0 1 281.359 3.628 20 30 CHEDMN C#CCCOc1ccc(CN(CC)Cc2ccoc2)cc1 ZINC000092935899 1129412344 /nfs/dbraw/zinc/41/23/44/1129412344.db2.gz QDMDSOKRHLENQM-UHFFFAOYSA-N 0 1 283.371 3.704 20 30 CHEDMN N#Cc1cnc2cc[nH]c(-c3c(F)ccc(F)c3F)c1-2 ZINC001241047057 1129416289 /nfs/dbraw/zinc/41/62/89/1129416289.db2.gz PJLVZKPERRJNHD-UHFFFAOYSA-N 0 1 273.217 3.519 20 30 CHEDMN CCCCCCCN1CCN(C(=O)CC(C)(C)C)CC1 ZINC000740874963 1129421691 /nfs/dbraw/zinc/42/16/91/1129421691.db2.gz URGYOXNZFZGVLN-UHFFFAOYSA-N 0 1 282.472 3.537 20 30 CHEDMN COC(=O)c1ccc(C(=N)Nc2ccccc2C(C)C)cc1 ZINC001170984784 1131374322 /nfs/dbraw/zinc/37/43/22/1131374322.db2.gz GLQZSRKGNHLBNC-UHFFFAOYSA-N 0 1 296.370 3.634 20 30 CHEDMN C=CCN(CC[C@@H](O)c1ccccc1)Cc1ccccc1F ZINC000795869933 1129453511 /nfs/dbraw/zinc/45/35/11/1129453511.db2.gz XZWQOELFVWMRKH-LJQANCHMSA-N 0 1 299.389 3.937 20 30 CHEDMN CC[C@@](C)(NCc1ccc(C#N)o1)c1ccccc1 ZINC000742370125 1129471604 /nfs/dbraw/zinc/47/16/04/1129471604.db2.gz RNSMAJOBACZXHU-MRXNPFEDSA-N 0 1 254.333 3.566 20 30 CHEDMN N#Cc1ccc(CNCc2cc3cc(F)ccc3o2)cc1 ZINC000742367508 1129472282 /nfs/dbraw/zinc/47/22/82/1129472282.db2.gz XMNMLTRYKOYVSG-UHFFFAOYSA-N 0 1 280.302 3.733 20 30 CHEDMN Cc1cc(C)c(CNCc2cc(C#N)ccc2F)c(C)c1 ZINC000742381705 1129473130 /nfs/dbraw/zinc/47/31/30/1129473130.db2.gz DVGGTQGCYFPWGG-UHFFFAOYSA-N 0 1 282.362 3.912 20 30 CHEDMN C/C(=C\c1ccccc1)CNCc1cc(C#N)ccc1F ZINC000742382858 1129473145 /nfs/dbraw/zinc/47/31/45/1129473145.db2.gz GTUYBPNZDRRJSK-NTEUORMPSA-N 0 1 280.346 3.890 20 30 CHEDMN COc1ccc(C(C)N=Nc2cccc(F)c2F)c(F)c1 ZINC000743443537 1129524345 /nfs/dbraw/zinc/52/43/45/1129524345.db2.gz YTJPXRQQNGTFBP-UHFFFAOYSA-N 0 1 294.276 3.949 20 30 CHEDMN CCOc1ccc(C=NNc2cccc(F)c2F)cc1 ZINC000743442713 1129524708 /nfs/dbraw/zinc/52/47/08/1129524708.db2.gz DAKCESWPLTXYCE-UHFFFAOYSA-N 0 1 276.286 3.810 20 30 CHEDMN CC(N=Nc1ccc(Cl)nc1)c1ccc2c(c1)COC2 ZINC000743450262 1129524831 /nfs/dbraw/zinc/52/48/31/1129524831.db2.gz NXXMXHVEZULFJV-UHFFFAOYSA-N 0 1 287.750 3.601 20 30 CHEDMN COc1ccc(C(C)N=Nc2ccc(Cl)nc2)cc1 ZINC000743449687 1129525240 /nfs/dbraw/zinc/52/52/40/1129525240.db2.gz DSQARKJEQHNYFU-UHFFFAOYSA-N 0 1 275.739 3.580 20 30 CHEDMN 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/nfs/dbraw/zinc/97/58/14/1118975814.db2.gz LOXBMMSJZVLQRY-MRXNPFEDSA-N 0 1 297.427 3.696 20 30 CHEDMN C[C@H]1Cc2ccccc2CN1CC#Cc1ccc(F)cc1 ZINC001167544770 1119000573 /nfs/dbraw/zinc/00/05/73/1119000573.db2.gz VJFXNAFWGSIBDB-HNNXBMFYSA-N 0 1 279.358 3.624 20 30 CHEDMN COc1cc(C)c(C)cc1Nc1cc(C#N)c(F)cc1O ZINC001216377624 1119031443 /nfs/dbraw/zinc/03/14/43/1119031443.db2.gz ZIDHPKANNZIHLY-UHFFFAOYSA-N 0 1 286.306 3.772 20 30 CHEDMN CC(C)Cc1ncc(CNCc2ccc(C#N)s2)s1 ZINC000119747729 1119052412 /nfs/dbraw/zinc/05/24/12/1119052412.db2.gz WDZPHWKBALUMCJ-UHFFFAOYSA-N 0 1 291.445 3.565 20 30 CHEDMN Cc1ccncc1[C@@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000611587690 1119056311 /nfs/dbraw/zinc/05/63/11/1119056311.db2.gz OCNHKWKLSUKHQW-CHWSQXEVSA-N 0 1 283.350 3.813 20 30 CHEDMN C[C@@H](NCc1ccc(C#N)s1)c1cccc(F)c1 ZINC000135666234 1119206251 /nfs/dbraw/zinc/20/62/51/1119206251.db2.gz ZPDWECAVTOFOOA-SNVBAGLBSA-N 0 1 260.337 3.610 20 30 CHEDMN Oc1c(Cl)cc(Cl)cc1/C=N\CCC1CC1 ZINC000743044240 1119211657 /nfs/dbraw/zinc/21/16/57/1119211657.db2.gz HMMLFHSDCKEYKR-CHHVJCJISA-N 0 1 258.148 3.918 20 30 CHEDMN C=CCn1c(C)cc(C(=O)CN(CCC)CCC)c1C ZINC000342869293 1119218844 /nfs/dbraw/zinc/21/88/44/1119218844.db2.gz CHAFMHHTMCQHFX-UHFFFAOYSA-N 0 1 276.424 3.596 20 30 CHEDMN C=CCOc1ccccc1CNCc1ccc(C)c(F)c1 ZINC000237750199 1119243487 /nfs/dbraw/zinc/24/34/87/1119243487.db2.gz RZZBSIWWACMAQD-UHFFFAOYSA-N 0 1 285.362 3.989 20 30 CHEDMN C=CCCCCN1CCc2c(ncn2-c2ccccc2)C1 ZINC000583303803 1119338288 /nfs/dbraw/zinc/33/82/88/1119338288.db2.gz VPUIXEJYMQGVGQ-UHFFFAOYSA-N 0 1 281.403 3.587 20 30 CHEDMN Cc1csc(C2(NCCC(C)(C)C#N)CCCC2)n1 ZINC000128573029 1119381468 /nfs/dbraw/zinc/38/14/68/1119381468.db2.gz VIACGQBTELJAKX-UHFFFAOYSA-N 0 1 277.437 3.750 20 30 CHEDMN C=CCCN(C)Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000343465394 1119426451 /nfs/dbraw/zinc/42/64/51/1119426451.db2.gz HOWLFCLQPAEXRP-UHFFFAOYSA-N 0 1 297.324 3.600 20 30 CHEDMN C=CCN1CCc2sccc2[C@H]1c1cccs1 ZINC000052917317 1119491826 /nfs/dbraw/zinc/49/18/26/1119491826.db2.gz OIWYERNQGCDDNT-AWEZNQCLSA-N 0 1 261.415 3.943 20 30 CHEDMN Cc1cc(CN2CCC(S)CC2)cc(C(F)(F)F)c1 ZINC001143454756 1119524900 /nfs/dbraw/zinc/52/49/00/1119524900.db2.gz JHMYULVQWSDDRO-UHFFFAOYSA-N 0 1 289.366 3.908 20 30 CHEDMN C=CC[C@H]1CCN(Cc2cc(F)c(F)c(F)c2)C1 ZINC000628404975 1128856598 /nfs/dbraw/zinc/85/65/98/1128856598.db2.gz AOOSFPPRLDUGTK-JTQLQIEISA-N 0 1 255.283 3.502 20 30 CHEDMN Cc1ccccc1C(=O)[C@@H](C#N)c1nc(C2CC2)cs1 ZINC000647371445 1119698566 /nfs/dbraw/zinc/69/85/66/1119698566.db2.gz QORPOVMCXFRGGW-CYBMUJFWSA-N 0 1 282.368 3.819 20 30 CHEDMN Cc1ccccc1C(=O)C(C#N)c1nc(C2CC2)cs1 ZINC000647371445 1119698568 /nfs/dbraw/zinc/69/85/68/1119698568.db2.gz QORPOVMCXFRGGW-CYBMUJFWSA-N 0 1 282.368 3.819 20 30 CHEDMN Cc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)[nH+]c1C ZINC000647380206 1119712596 /nfs/dbraw/zinc/71/25/96/1119712596.db2.gz UNQUOZQVDYQTGL-GFCCVEGCSA-N 0 1 297.383 3.522 20 30 CHEDMN O=C(/C=C\c1ccc(F)cc1F)c1ccc(O)c(F)c1 ZINC000255768598 1119743290 /nfs/dbraw/zinc/74/32/90/1119743290.db2.gz FMYBLWFWWUIVEE-DJWKRKHSSA-N 0 1 278.229 3.706 20 30 CHEDMN C[C@@H](NCc1ccc(CC#N)cc1)c1ccnn1C1CCC1 ZINC000926625920 1119744838 /nfs/dbraw/zinc/74/48/38/1119744838.db2.gz FDOJFTFLHOJCMV-CQSZACIVSA-N 0 1 294.402 3.525 20 30 CHEDMN CSc1ccc(C)c(C(=O)Nc2cc(C#N)ccc2O)c1 ZINC000179734347 1119758641 /nfs/dbraw/zinc/75/86/41/1119758641.db2.gz UHJZFQJHGKKJNV-UHFFFAOYSA-N 0 1 298.367 3.547 20 30 CHEDMN C=CCN(CCc1ccccc1)Cc1cn2ccccc2n1 ZINC000062364239 1119780065 /nfs/dbraw/zinc/78/00/65/1119780065.db2.gz KDRIDDFMVGKXQW-UHFFFAOYSA-N 0 1 291.398 3.565 20 30 CHEDMN CC(C)(CC#N)CN[C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000414160384 1119922310 /nfs/dbraw/zinc/92/23/10/1119922310.db2.gz CTIOIUCZDGPDQY-KRWDZBQOSA-N 0 1 297.377 3.840 20 30 CHEDMN Cc1ccc(CN[C@@H](C)c2ccc(C#N)c(F)c2)nc1C ZINC000414166969 1119923855 /nfs/dbraw/zinc/92/38/55/1119923855.db2.gz OMYBXFVLNFIXEA-ZDUSSCGKSA-N 0 1 283.350 3.560 20 30 CHEDMN Cc1cc2cc[nH]c2c(N[C@@H](C)c2cccc(C#N)c2)n1 ZINC001167708221 1120048277 /nfs/dbraw/zinc/04/82/77/1120048277.db2.gz AJVNLPRIIHPDGW-LBPRGKRZSA-N 0 1 276.343 3.916 20 30 CHEDMN Cc1c(C#N)cccc1NCc1cnc(-c2ccccc2)[nH]1 ZINC000181456375 1120077764 /nfs/dbraw/zinc/07/77/64/1120077764.db2.gz XZTPCJNVYZIJTK-UHFFFAOYSA-N 0 1 288.354 3.869 20 30 CHEDMN CCC[C@@H](NCc1csc(C#N)c1)c1ccccn1 ZINC000921682032 1120105497 /nfs/dbraw/zinc/10/54/97/1120105497.db2.gz BUFVXTTZBFEDLB-CQSZACIVSA-N 0 1 271.389 3.646 20 30 CHEDMN CCN(Cc1cncc(F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000274377985 1120148427 /nfs/dbraw/zinc/14/84/27/1120148427.db2.gz RUPKMFMZCFHLRD-CYBMUJFWSA-N 0 1 283.350 3.675 20 30 CHEDMN N#Cc1ccc(F)cc1CN1CC[C@H](c2ccccc2)C1 ZINC000158973709 1120170772 /nfs/dbraw/zinc/17/07/72/1120170772.db2.gz AABMCEPDLJBQFE-INIZCTEOSA-N 0 1 280.346 3.687 20 30 CHEDMN CCSc1ccccc1C[C@@H](C)NCC1(C#N)CC1 ZINC000926874042 1120174112 /nfs/dbraw/zinc/17/41/12/1120174112.db2.gz MKGURWGSPULCAL-CYBMUJFWSA-N 0 1 274.433 3.623 20 30 CHEDMN CC1(C)CCCN(Cc2ccc(F)cc2C#N)CC1 ZINC000303926042 1120188912 /nfs/dbraw/zinc/18/89/12/1120188912.db2.gz PSLDSLZQJJYDNA-UHFFFAOYSA-N 0 1 260.356 3.709 20 30 CHEDMN Cc1cc(C(F)(F)F)ccc1C=NNc1ccc(F)cn1 ZINC000785453134 1120197392 /nfs/dbraw/zinc/19/73/92/1120197392.db2.gz BYCHRFNMHVBXPX-UHFFFAOYSA-N 0 1 297.255 3.994 20 30 CHEDMN Cc1cc([C@@H](C)NCc2csc(C#N)c2)ccc1F ZINC000921822122 1120228787 /nfs/dbraw/zinc/22/87/87/1120228787.db2.gz RVPFUXSYGPWCCY-LLVKDONJSA-N 0 1 274.364 3.918 20 30 CHEDMN N#Cc1ccc(CN2CCCc3ccccc3C2)c(F)c1 ZINC000062944637 1120256863 /nfs/dbraw/zinc/25/68/63/1120256863.db2.gz NONBNZWMFYVFSX-UHFFFAOYSA-N 0 1 280.346 3.646 20 30 CHEDMN Cc1cc(C#N)cc(C)c1CNCc1ccc(Cl)cn1 ZINC000921967435 1120309722 /nfs/dbraw/zinc/30/97/22/1120309722.db2.gz FYSXYXLBVIUXNA-UHFFFAOYSA-N 0 1 285.778 3.513 20 30 CHEDMN CC(C)(C)c1ccncc1CNCc1csc(C#N)c1 ZINC000922183427 1120450277 /nfs/dbraw/zinc/45/02/77/1120450277.db2.gz SEJMPRLEHWHWBA-UHFFFAOYSA-N 0 1 285.416 3.602 20 30 CHEDMN Cc1cc(C#N)cc(C)c1CN[C@H]1COCc2ccccc21 ZINC000922190005 1120456883 /nfs/dbraw/zinc/45/68/83/1120456883.db2.gz GRNONZIANKSYBG-IBGZPJMESA-N 0 1 292.382 3.536 20 30 CHEDMN C#CC[C@H](N[C@H](C)c1cccc2c1OCO2)c1ccccc1 ZINC000925638009 1120501377 /nfs/dbraw/zinc/50/13/77/1120501377.db2.gz WUDOQGBOKHNIRQ-PBHICJAKSA-N 0 1 293.366 3.831 20 30 CHEDMN C#CC[C@@H](N[C@@H](CC)c1cccc(OC)n1)c1ccccc1 ZINC000925637671 1120501398 /nfs/dbraw/zinc/50/13/98/1120501398.db2.gz PLJLLEGEFKJXIU-DLBZAZTESA-N 0 1 294.398 3.896 20 30 CHEDMN CN(C)Cc1cc(NCc2ccc(C#N)cc2)ccc1Cl ZINC000341510045 1120518178 /nfs/dbraw/zinc/51/81/78/1120518178.db2.gz ITZZCHQQRNCTII-UHFFFAOYSA-N 0 1 299.805 3.885 20 30 CHEDMN CCOc1cc(F)cc(CNCc2ccc(C)c(C#N)c2)c1 ZINC000922761173 1120592376 /nfs/dbraw/zinc/59/23/76/1120592376.db2.gz OVJAUMSKBFKSTR-UHFFFAOYSA-N 0 1 298.361 3.694 20 30 CHEDMN Cc1ccc(CNCc2cnc(C(C)C)s2)cc1C#N ZINC000922758690 1120592894 /nfs/dbraw/zinc/59/28/94/1120592894.db2.gz HJJXAVCGMHLZMP-UHFFFAOYSA-N 0 1 285.416 3.736 20 30 CHEDMN N#Cc1ccc(CN(Cc2ccccc2)C2CC2)s1 ZINC000125430539 1120612371 /nfs/dbraw/zinc/61/23/71/1120612371.db2.gz WFACTNPAVXVVOR-UHFFFAOYSA-N 0 1 268.385 3.784 20 30 CHEDMN C=CCOCCN(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000338888596 1120621190 /nfs/dbraw/zinc/62/11/90/1120621190.db2.gz SUOGGTKCFTWQQI-CJNGLKHVSA-N 0 1 275.392 3.570 20 30 CHEDMN Cc1cc(CN2Cc3ccccc3O[C@H](C)C2)ccc1C#N ZINC000429120841 1120669177 /nfs/dbraw/zinc/66/91/77/1120669177.db2.gz CRWNWKCAUMTPOT-OAHLLOKOSA-N 0 1 292.382 3.650 20 30 CHEDMN C=CC[C@@H]1CCCC[C@H]1NCc1nc(C(C)(C)C)no1 ZINC000661119206 1120720979 /nfs/dbraw/zinc/72/09/79/1120720979.db2.gz QCHUBNDKXVDAPP-CHWSQXEVSA-N 0 1 277.412 3.592 20 30 CHEDMN Cc1ccc(F)c(CN[C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000618741364 1128935784 /nfs/dbraw/zinc/93/57/84/1128935784.db2.gz FGNDVDSDFOHZBE-GOSISDBHSA-N 0 1 280.346 3.783 20 30 CHEDMN C=CC[C@H]1CCC[N@H+](CC(=O)Nc2c(C)cccc2C)C1 ZINC000661379333 1120759721 /nfs/dbraw/zinc/75/97/21/1120759721.db2.gz BSMKEOYDHINLMK-INIZCTEOSA-N 0 1 286.419 3.530 20 30 CHEDMN C=CC[C@H]1CCCN(CC(=O)Nc2c(C)cccc2C)C1 ZINC000661379333 1120759724 /nfs/dbraw/zinc/75/97/24/1120759724.db2.gz BSMKEOYDHINLMK-INIZCTEOSA-N 0 1 286.419 3.530 20 30 CHEDMN C=CCCN1C[C@H](c2cccc(F)c2)OCC1(C)C ZINC000661735260 1120804922 /nfs/dbraw/zinc/80/49/22/1120804922.db2.gz BHDSMIDUPVIMSY-OAHLLOKOSA-N 0 1 263.356 3.554 20 30 CHEDMN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1c(C)cccc1CC ZINC000662081380 1120870260 /nfs/dbraw/zinc/87/02/60/1120870260.db2.gz WDKFYBLNDVXEKR-CALCHBBNSA-N 0 1 298.430 3.679 20 30 CHEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1csc(CCC)n1 ZINC000662081660 1120870388 /nfs/dbraw/zinc/87/03/88/1120870388.db2.gz QDBVUKJJPWWDJY-OKILXGFUSA-N 0 1 262.422 3.779 20 30 CHEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccn(C2CCCC2)n1 ZINC000662085742 1120872851 /nfs/dbraw/zinc/87/28/51/1120872851.db2.gz KLJNBUVTYPKFEC-CALCHBBNSA-N 0 1 271.408 3.681 20 30 CHEDMN CC(C)CC(=O)C(C#N)C(=O)Nc1cccc2ccccc21 ZINC000128668994 1120966020 /nfs/dbraw/zinc/96/60/20/1120966020.db2.gz BRGGZMQVPBLZPQ-HNNXBMFYSA-N 0 1 294.354 3.533 20 30 CHEDMN CC(C)=Nc1ncc2ccccc2c1Br ZINC001174788120 1121032353 /nfs/dbraw/zinc/03/23/53/1121032353.db2.gz UBOWELXAJMGLRZ-UHFFFAOYSA-N 0 1 263.138 3.943 20 30 CHEDMN C=CC[C@H]1CCN(Cc2csc(C(C)(C)C)n2)C1 ZINC000625703592 1121062927 /nfs/dbraw/zinc/06/29/27/1121062927.db2.gz NKVWPRLUANSFCU-LBPRGKRZSA-N 0 1 264.438 3.839 20 30 CHEDMN CC[C@H](N[C@@H](C)c1c(C)noc1C)c1ccc(C#N)cc1 ZINC000618567974 1121140560 /nfs/dbraw/zinc/14/05/60/1121140560.db2.gz BCUALCFULDZUGE-ZBEGNZNMSA-N 0 1 283.375 3.965 20 30 CHEDMN C=C(C)CN(Cc1ccc(CO)o1)Cc1ccc(C)c(C)c1 ZINC000512181362 1121146686 /nfs/dbraw/zinc/14/66/86/1121146686.db2.gz PXGYKDACBOUMLG-UHFFFAOYSA-N 0 1 299.414 3.967 20 30 CHEDMN C=C(C)CN(Cc1ccc(CO)o1)Cc1ccccc1CC ZINC000512182801 1121147772 /nfs/dbraw/zinc/14/77/72/1121147772.db2.gz SUVRYVDCVZKPMM-UHFFFAOYSA-N 0 1 299.414 3.913 20 30 CHEDMN CCOc1cccc(Nc2cc(C#N)c(F)cc2O)c1 ZINC001175093269 1121181756 /nfs/dbraw/zinc/18/17/56/1121181756.db2.gz MICUNBFHLGHJRT-UHFFFAOYSA-N 0 1 272.279 3.545 20 30 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ZINC000135132767 264555057 /nfs/dbraw/zinc/55/50/57/264555057.db2.gz MNNUCMFLJDBMFF-CYBMUJFWSA-N 0 1 280.371 3.881 20 30 CHEDMN COc1ccc([C@@H](C)NCc2cc(C#N)cs2)cc1F ZINC000093492184 265181035 /nfs/dbraw/zinc/18/10/35/265181035.db2.gz PSFYRHDRRAQRNB-SNVBAGLBSA-N 0 1 290.363 3.618 20 30 CHEDMN C[C@@H]1CCN(Cc2cc(F)ccc2C#N)CC12CCC2 ZINC000357059812 266239477 /nfs/dbraw/zinc/23/94/77/266239477.db2.gz AXUVYUZGPOHMAC-CYBMUJFWSA-N 0 1 272.367 3.709 20 30 CHEDMN Cc1csc(C(C#N)C(=O)c2sccc2C2CC2)n1 ZINC000357508814 266313085 /nfs/dbraw/zinc/31/30/85/266313085.db2.gz GBXSLZIPNQDUFB-LLVKDONJSA-N 0 1 288.397 3.881 20 30 CHEDMN CC[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)c1ccncc1 ZINC000358562379 266477324 /nfs/dbraw/zinc/47/73/24/266477324.db2.gz GRYKXRSTZSGTBL-YVEFUNNKSA-N 0 1 283.350 3.894 20 30 CHEDMN Cc1cc(CN(C)[C@H](C)c2ccco2)ccc1C#N ZINC000362935566 267063042 /nfs/dbraw/zinc/06/30/42/267063042.db2.gz QCVNRZDIIFMXKD-CYBMUJFWSA-N 0 1 254.333 3.653 20 30 CHEDMN C=C(C)CN(CC)[C@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000120114094 267381999 /nfs/dbraw/zinc/38/19/99/267381999.db2.gz RZDDCWHCJXVMBF-MRXNPFEDSA-N 0 1 288.435 3.837 20 30 CHEDMN C[C@H](CN(CCC#N)CC1CC1)c1ccc(F)cc1 ZINC000275785525 328215980 /nfs/dbraw/zinc/21/59/80/328215980.db2.gz YDSHCVYAINNMFK-CYBMUJFWSA-N 0 1 260.356 3.555 20 30 CHEDMN CC(C)(C#N)CCCCN1CCCC[C@H]1c1cc[nH]n1 ZINC000285513533 328248003 /nfs/dbraw/zinc/24/80/03/328248003.db2.gz YNHLWPZQNNYREU-HNNXBMFYSA-N 0 1 274.412 3.657 20 30 CHEDMN CC[C@@H](c1ccncc1)N(C)Cc1ccc(C#N)s1 ZINC000290565262 328259407 /nfs/dbraw/zinc/25/94/07/328259407.db2.gz SOSIBFQOBLOTTE-HNNXBMFYSA-N 0 1 271.389 3.598 20 30 CHEDMN CC[C@@H](N[C@@H](CCCC#N)c1ccccc1)c1ccn(C)n1 ZINC000340443331 328278078 /nfs/dbraw/zinc/27/80/78/328278078.db2.gz GMYOJEAXZPCZFH-SJORKVTESA-N 0 1 296.418 3.896 20 30 CHEDMN C=CCC(C)(C)CN[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000293778837 328545419 /nfs/dbraw/zinc/54/54/19/328545419.db2.gz SSDZZVYUCKJDRJ-OAHLLOKOSA-N 0 1 287.382 3.830 20 30 CHEDMN N#Cc1ccc(CN[C@@H](c2ccc(Cl)cc2)C2CC2)nc1 ZINC000558245461 327081140 /nfs/dbraw/zinc/08/11/40/327081140.db2.gz IHCOKNZEAQKYTB-QGZVFWFLSA-N 0 1 297.789 3.848 20 30 CHEDMN Cc1ccccc1[C@]1(F)CCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000559187100 327145135 /nfs/dbraw/zinc/14/51/35/327145135.db2.gz PHJWECIRXRAQNG-VYDXJSESSA-N 0 1 272.367 3.558 20 30 CHEDMN CC(C)(C)[C@@H](NC[C@H](C#N)CCC#N)c1ccc(F)cc1 ZINC000583435608 327361956 /nfs/dbraw/zinc/36/19/56/327361956.db2.gz QDBPNTVDIBFDSP-BBRMVZONSA-N 0 1 287.382 3.946 20 30 CHEDMN N#CCCCN1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000375096958 329000625 /nfs/dbraw/zinc/00/06/25/329000625.db2.gz OBSRSOJJGWUUAT-UHFFFAOYSA-N 0 1 276.330 3.748 20 30 CHEDMN C=CCCCCCN(C)Cc1nnc(-c2ccco2)o1 ZINC000172654830 329137463 /nfs/dbraw/zinc/13/74/63/329137463.db2.gz OVODOXAVXSGHHQ-UHFFFAOYSA-N 0 1 275.352 3.508 20 30 CHEDMN C[C@@H]1Cc2ccccc2CN1Cc1cc(C#N)cs1 ZINC000179911211 329213569 /nfs/dbraw/zinc/21/35/69/329213569.db2.gz ZCAXCWWDTVGNPD-GFCCVEGCSA-N 0 1 268.385 3.567 20 30 CHEDMN C=C(C)CN(C)[C@H](C)C(=O)Nc1c(CC)cccc1CC ZINC000181286837 329229600 /nfs/dbraw/zinc/22/96/00/329229600.db2.gz DSIROUZEIJHNQR-CQSZACIVSA-N 0 1 288.435 3.646 20 30 CHEDMN C=C(C)CN(CC)Cc1sc(C)nc1C(F)(F)F ZINC000183566005 329248679 /nfs/dbraw/zinc/24/86/79/329248679.db2.gz FVWBRPUQLNSOCF-UHFFFAOYSA-N 0 1 278.343 3.868 20 30 CHEDMN C=CCCN(C)Cc1csc(-c2ccc(OC)cc2)n1 ZINC000467287707 329267027 /nfs/dbraw/zinc/26/70/27/329267027.db2.gz CQFGPJFERRUHKY-UHFFFAOYSA-N 0 1 288.416 3.827 20 30 CHEDMN C=CCN(CCc1ccco1)Cc1c(C)nsc1C ZINC000582913034 329287705 /nfs/dbraw/zinc/28/77/05/329287705.db2.gz QKZPEWXLBUIRJR-UHFFFAOYSA-N 0 1 276.405 3.584 20 30 CHEDMN COc1ccc(Cl)cc1CN1CCC(CCC#N)CC1 ZINC000399295354 329450064 /nfs/dbraw/zinc/45/00/64/329450064.db2.gz CSIYOUHUPJTNBZ-UHFFFAOYSA-N 0 1 292.810 3.864 20 30 CHEDMN C#CCCN1CCC[C@H]1c1nc2ccccc2n1C(C)C ZINC000270540250 330075717 /nfs/dbraw/zinc/07/57/17/330075717.db2.gz RBXAASDBYCJOFV-KRWDZBQOSA-N 0 1 281.403 3.777 20 30 CHEDMN C=CCN(Cc1ccc(OC)cc1)[C@H](C)c1ccccn1 ZINC000271431945 330080234 /nfs/dbraw/zinc/08/02/34/330080234.db2.gz PYZHCYWXYBPNGS-OAHLLOKOSA-N 0 1 282.387 3.839 20 30 CHEDMN C#CC[C@@H](N[C@@H](C)c1cncc(C)c1)c1ccccc1 ZINC000274417598 330105792 /nfs/dbraw/zinc/10/57/92/330105792.db2.gz SYYAGKDGDIVRGT-MAUKXSAKSA-N 0 1 264.372 3.805 20 30 CHEDMN C=CCC[C@@H](NCc1cccc(CO)c1)c1ccco1 ZINC000279117540 330122116 /nfs/dbraw/zinc/12/21/16/330122116.db2.gz WVVJESHLAVLJLP-MRXNPFEDSA-N 0 1 271.360 3.569 20 30 CHEDMN CC(C)c1csc([C@@H](C#N)C(=O)c2ccsc2)n1 ZINC000080457781 330131236 /nfs/dbraw/zinc/13/12/36/330131236.db2.gz NLSWURHKDSSBRI-JTQLQIEISA-N 0 1 276.386 3.818 20 30 CHEDMN CC(C)c1csc(C(C#N)C(=O)c2ccsc2)n1 ZINC000080457781 330131237 /nfs/dbraw/zinc/13/12/37/330131237.db2.gz NLSWURHKDSSBRI-JTQLQIEISA-N 0 1 276.386 3.818 20 30 CHEDMN C=CCOc1ccccc1CNCc1cnc(C)cc1C ZINC000397040368 330235939 /nfs/dbraw/zinc/23/59/39/330235939.db2.gz VJFYNKLOEPZTIO-UHFFFAOYSA-N 0 1 282.387 3.553 20 30 CHEDMN C=CC[C@H](C)NCc1ncc(Cl)cc1Br ZINC000527663061 330273770 /nfs/dbraw/zinc/27/37/70/330273770.db2.gz YCTZOSWPKTUQHK-QMMMGPOBSA-N 0 1 289.604 3.552 20 30 CHEDMN N#C[C@@H]1CC[C@H](NCc2ccc(Oc3ccccc3)o2)C1 ZINC000424204300 330327548 /nfs/dbraw/zinc/32/75/48/330327548.db2.gz VIQCDUIKZNKCNB-KGLIPLIRSA-N 0 1 282.343 3.854 20 30 CHEDMN COc1ccc([C@H](C)NCC2(CC#N)CC2)c(Cl)c1 ZINC000424356631 330346394 /nfs/dbraw/zinc/34/63/94/330346394.db2.gz VMPTVRSLZFLZGV-NSHDSACASA-N 0 1 278.783 3.693 20 30 CHEDMN C=CCCCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000533289158 330356100 /nfs/dbraw/zinc/35/61/00/330356100.db2.gz WPHDZGVEGZFWFB-HNNXBMFYSA-N 0 1 274.408 3.692 20 30 CHEDMN CCN(Cc1ccc(C#N)s1)Cc1cccc(F)c1 ZINC000120016898 330385076 /nfs/dbraw/zinc/38/50/76/330385076.db2.gz WPDDLPZJSOTZGC-UHFFFAOYSA-N 0 1 274.364 3.781 20 30 CHEDMN C=CCN(C)[C@@H](C)C(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000121244918 330398460 /nfs/dbraw/zinc/39/84/60/330398460.db2.gz SACONFCFCGMCNZ-CABCVRRESA-N 0 1 296.414 3.523 20 30 CHEDMN CC[C@@H](NCC1(CC#N)CC1)c1cc(F)ccc1F ZINC000430753743 330573127 /nfs/dbraw/zinc/57/31/27/330573127.db2.gz JLBDUHKNRSUKBB-CQSZACIVSA-N 0 1 264.319 3.699 20 30 CHEDMN Cc1oncc1CN[C@H](CCCC#N)c1ccccc1 ZINC000433021817 330612512 /nfs/dbraw/zinc/61/25/12/330612512.db2.gz YVEKWUHWZBBGRY-MRXNPFEDSA-N 0 1 269.348 3.508 20 30 CHEDMN CC(=Cc1ccc(C(C)C)cc1)c1nc(C)c(C#N)c(=O)[nH]1 ZINC000435337862 330653009 /nfs/dbraw/zinc/65/30/09/330653009.db2.gz YVUDRRMZYWMPBE-XFXZXTDPSA-N 0 1 293.370 3.634 20 30 CHEDMN C=C[C@H](C)N[C@H](C)c1ccccc1Br ZINC000157232284 330771813 /nfs/dbraw/zinc/77/18/13/330771813.db2.gz MEAUAYLGKAMBSV-VHSXEESVSA-N 0 1 254.171 3.674 20 30 CHEDMN C=C(C)CNCc1cc(Cl)ccc1Br ZINC000160318076 330862937 /nfs/dbraw/zinc/86/29/37/330862937.db2.gz GGOOURLVODPLCQ-UHFFFAOYSA-N 0 1 274.589 3.768 20 30 CHEDMN Cc1cc(N[C@H]2CC[C@@H](CC#N)C2)c2cc(F)ccc2n1 ZINC000450672767 330992574 /nfs/dbraw/zinc/99/25/74/330992574.db2.gz LOQZHSFNHLAKST-JSGCOSHPSA-N 0 1 283.350 3.599 20 30 CHEDMN CC[C@@H](c1cccc(OC)c1)N(C)CC1(C#N)CCC1 ZINC000451035895 331012754 /nfs/dbraw/zinc/01/27/54/331012754.db2.gz GNUXHJLBNIRNES-INIZCTEOSA-N 0 1 272.392 3.772 20 30 CHEDMN CC(C)(C#N)c1ccccc1CN1CCC[C@](C)(F)C1 ZINC000451112254 331015956 /nfs/dbraw/zinc/01/59/56/331015956.db2.gz HWQBTIHTTJEUNP-KRWDZBQOSA-N 0 1 274.383 3.812 20 30 CHEDMN C=CCC1(C(=O)Nc2cc3cn[nH]c3cc2C)CCCC1 ZINC000451131609 331016818 /nfs/dbraw/zinc/01/68/18/331016818.db2.gz UHZNGZQMMZQGAS-UHFFFAOYSA-N 0 1 283.375 3.946 20 30 CHEDMN N#Cc1ccccc1-c1ccc(CN2CC[C@@H](F)C2)cc1 ZINC000451188934 331019600 /nfs/dbraw/zinc/01/96/00/331019600.db2.gz DYEMFMITRVTRCE-QGZVFWFLSA-N 0 1 280.346 3.769 20 30 CHEDMN C=C[C@@H]1OCCC[C@H]1NCc1csc(CCC(C)C)n1 ZINC000451675110 331038529 /nfs/dbraw/zinc/03/85/29/331038529.db2.gz OTZXDFFTSGYALT-CABCVRRESA-N 0 1 294.464 3.555 20 30 CHEDMN C=C(CC)CN[C@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000453337284 331118584 /nfs/dbraw/zinc/11/85/84/331118584.db2.gz AISUHMYNWHJEHI-CQSZACIVSA-N 0 1 284.407 3.501 20 30 CHEDMN C[C@H](NCCOCC1CCCC1)c1ccc(C#N)cc1F ZINC000453396549 331128116 /nfs/dbraw/zinc/12/81/16/331128116.db2.gz KWNHLDNJNUXADQ-ZDUSSCGKSA-N 0 1 290.382 3.555 20 30 CHEDMN N#Cc1cccc([N+](=O)[O-])c1CN1CCC[C@H]2CCCC[C@H]21 ZINC000459297665 331275004 /nfs/dbraw/zinc/27/50/04/331275004.db2.gz RPZYVBLGKQXKNB-CZUORRHYSA-N 0 1 299.374 3.621 20 30 CHEDMN C[C@@H](NCc1c(C#N)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000459381113 331279225 /nfs/dbraw/zinc/27/92/25/331279225.db2.gz ACZZEKJGVKHEQY-GFCCVEGCSA-N 0 1 287.363 3.525 20 30 CHEDMN C[C@H](c1ccc2c(c1)CCC2)N(C)CC(C)(C)C#N ZINC000459492193 331284749 /nfs/dbraw/zinc/28/47/49/331284749.db2.gz VVPFQZYZIVCTKQ-CYBMUJFWSA-N 0 1 256.393 3.718 20 30 CHEDMN CC(C)(CC#N)CNCc1cccc(Br)c1F ZINC000459659851 331292652 /nfs/dbraw/zinc/29/26/52/331292652.db2.gz ABGMCFJWLPJRBW-UHFFFAOYSA-N 0 1 299.187 3.618 20 30 CHEDMN CCC1(c2ccccc2)CN(Cc2cc(C#N)cs2)C1 ZINC000459758158 331298821 /nfs/dbraw/zinc/29/88/21/331298821.db2.gz OQDSHKSKFCGPQJ-UHFFFAOYSA-N 0 1 282.412 3.783 20 30 CHEDMN CC#CCCN(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000462313658 331319218 /nfs/dbraw/zinc/31/92/18/331319218.db2.gz IQWQDHFJFQRMRU-CJNGLKHVSA-N 0 1 257.377 3.781 20 30 CHEDMN CCC1(CC)CN(Cc2ccc(F)c(C#N)c2)CCS1 ZINC000464569658 331362841 /nfs/dbraw/zinc/36/28/41/331362841.db2.gz KMQQOWSQFWNQDP-UHFFFAOYSA-N 0 1 292.423 3.805 20 30 CHEDMN C=C(C)[C@@H](NCCOCCCC)c1ccc(F)c(F)c1 ZINC000481596255 331810057 /nfs/dbraw/zinc/81/00/57/331810057.db2.gz IRNFCHUGWPVZLR-MRXNPFEDSA-N 0 1 283.362 3.988 20 30 CHEDMN C=CCCCN[C@@H](CO)c1c(Cl)cccc1Cl ZINC000483244871 331864903 /nfs/dbraw/zinc/86/49/03/331864903.db2.gz PCGLCTZFEDQJIZ-LBPRGKRZSA-N 0 1 274.191 3.583 20 30 CHEDMN Cc1cc(F)ccc1CN(C)Cc1cc(C#N)cs1 ZINC000488588822 332019447 /nfs/dbraw/zinc/01/94/47/332019447.db2.gz LNZHVKKKTDIFCV-UHFFFAOYSA-N 0 1 274.364 3.699 20 30 CHEDMN C=C[C@H]1CCCCN1Cc1ccc(SC)c(OC)c1 ZINC000489446766 332053011 /nfs/dbraw/zinc/05/30/11/332053011.db2.gz JANXAZWRFZNCJK-AWEZNQCLSA-N 0 1 277.433 3.958 20 30 CHEDMN 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C=C(CC)CN1C[C@@H](c2ccccc2C)OC[C@@H]1C ZINC000583338184 1119342664 /nfs/dbraw/zinc/34/26/64/1119342664.db2.gz DSKZHFNZBRNVAZ-RDJZCZTQSA-N 0 1 259.393 3.723 20 30 CHEDMN N#CC1(CN2CCC[C@@]3(CCCc4ccccc43)C2)CC1 ZINC000343314889 1119382863 /nfs/dbraw/zinc/38/28/63/1119382863.db2.gz PFIURFNUTPTNQU-IBGZPJMESA-N 0 1 280.415 3.660 20 30 CHEDMN C#CCCCCCC(=O)[C@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000780380812 1119435198 /nfs/dbraw/zinc/43/51/98/1119435198.db2.gz HCMHKHANJSPPID-AWEZNQCLSA-N 0 1 293.370 3.631 20 30 CHEDMN C=CCCCC[N@H+]1[C@@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC000583945640 1119437598 /nfs/dbraw/zinc/43/75/98/1119437598.db2.gz BMAGKEYFEVGGFQ-JKSUJKDBSA-N 0 1 273.376 3.633 20 30 CHEDMN CCC(CC)CN(CCC#N)Cc1ccc(CC#N)cc1 ZINC000343535924 1119444950 /nfs/dbraw/zinc/44/49/50/1119444950.db2.gz KAZUFSUDDNLOPF-UHFFFAOYSA-N 0 1 283.419 3.905 20 30 CHEDMN CCCCCCC[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000250802959 1119496835 /nfs/dbraw/zinc/49/68/35/1119496835.db2.gz DITKFYMVSZEFKR-KFWWJZLASA-N 0 1 267.413 3.675 20 30 CHEDMN C=CCOc1ccc(CN[C@@H](C)c2ccoc2)cc1 ZINC000133999850 1119520113 /nfs/dbraw/zinc/52/01/13/1119520113.db2.gz KJADWZSKZSPGNM-ZDUSSCGKSA-N 0 1 257.333 3.695 20 30 CHEDMN O=C(/C=C\c1cccc(F)c1F)c1ccc(O)c(F)c1 ZINC000255594265 1119534202 /nfs/dbraw/zinc/53/42/02/1119534202.db2.gz NEHFSDJQLLMJNZ-XQRVVYSFSA-N 0 1 278.229 3.706 20 30 CHEDMN C[C@@H]1C[C@@H](C)CN(Cc2ccc(Cl)cc2C#N)C1 ZINC000480534494 1119591787 /nfs/dbraw/zinc/59/17/87/1119591787.db2.gz ZBXOSTOANNUJOI-VXGBXAGGSA-N 0 1 262.784 3.690 20 30 CHEDMN N#Cc1cc(Cl)ccc1CN1C[C@@H]2CCCC[C@H]2C1 ZINC000480578402 1119624511 /nfs/dbraw/zinc/62/45/11/1119624511.db2.gz KGBLLSMPMJIOKB-STQMWFEESA-N 0 1 274.795 3.834 20 30 CHEDMN C=CC[N@@H+](Cc1ccccc1)Cc1cccc(NC(C)=O)c1 ZINC000101544229 1119656089 /nfs/dbraw/zinc/65/60/89/1119656089.db2.gz JHKYIWBTMYAPSE-UHFFFAOYSA-N 0 1 294.398 3.833 20 30 CHEDMN C=CCN(Cc1ccccc1)Cc1cccc(NC(C)=O)c1 ZINC000101544229 1119656092 /nfs/dbraw/zinc/65/60/92/1119656092.db2.gz JHKYIWBTMYAPSE-UHFFFAOYSA-N 0 1 294.398 3.833 20 30 CHEDMN C[C@@H](CCc1ccccc1)N1CCC[C@@](C)(C#N)C1 ZINC000612164769 1119739347 /nfs/dbraw/zinc/73/93/47/1119739347.db2.gz IQISBZUUDYIARC-RDJZCZTQSA-N 0 1 256.393 3.633 20 30 CHEDMN N#Cc1csc(CN2CC=C(c3ccc(O)cc3)CC2)c1 ZINC000179804929 1119763472 /nfs/dbraw/zinc/76/34/72/1119763472.db2.gz ZSXHKKKXRLAXOF-UHFFFAOYSA-N 0 1 296.395 3.615 20 30 CHEDMN C[C@@H](CCc1cccc(F)c1)N1CCC[C@@](C)(C#N)C1 ZINC000612406528 1119782858 /nfs/dbraw/zinc/78/28/58/1119782858.db2.gz ORYQMIJHASHGSW-YOEHRIQHSA-N 0 1 274.383 3.772 20 30 CHEDMN C=C(C)CN[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000472431854 1119789911 /nfs/dbraw/zinc/78/99/11/1119789911.db2.gz LLJPZCJIMFZKSL-QGZVFWFLSA-N 0 1 280.371 3.532 20 30 CHEDMN C=C(Cl)CN[C@@H]1CCc2cc(Br)ccc21 ZINC000161748043 1119892715 /nfs/dbraw/zinc/89/27/15/1119892715.db2.gz XWEFHDCYQYKUEY-GFCCVEGCSA-N 0 1 286.600 3.779 20 30 CHEDMN C[C@H](NCC(C)(C)CC#N)c1cccc(F)c1F ZINC000414170657 1119925008 /nfs/dbraw/zinc/92/50/08/1119925008.db2.gz SYPUQABPRIZWEI-JTQLQIEISA-N 0 1 252.308 3.555 20 30 CHEDMN C=C(C)[C@@H](C)OC(=O)c1[nH]c(-c2ccccc2)nc1C ZINC000755991848 1119973269 /nfs/dbraw/zinc/97/32/69/1119973269.db2.gz LVBYUFGVIIUEQP-GFCCVEGCSA-N 0 1 270.332 3.507 20 30 CHEDMN N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1cccc(Cl)c1 ZINC001207425134 1120017543 /nfs/dbraw/zinc/01/75/43/1120017543.db2.gz BUUKKVOHQIJYCS-MKZZRHPPSA-N 0 1 274.795 3.649 20 30 CHEDMN N#Cc1cc(CNC2(c3ccc(F)cc3)CCC2)cs1 ZINC000921656439 1120056585 /nfs/dbraw/zinc/05/65/85/1120056585.db2.gz WNMJGWBSSWUNGE-UHFFFAOYSA-N 0 1 286.375 3.928 20 30 CHEDMN C=C1CCC(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)CC1 ZINC000892702096 1120101491 /nfs/dbraw/zinc/10/14/91/1120101491.db2.gz BKSHLMVGBZLUSF-CQSZACIVSA-N 0 1 293.370 3.794 20 30 CHEDMN C=CCCC[C@H](C)[N@H+]1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000659796536 1120112335 /nfs/dbraw/zinc/11/23/35/1120112335.db2.gz CYVYEGYMAKDRIV-UAGQMJEPSA-N 0 1 287.403 3.531 20 30 CHEDMN C[C@H](NCC1(C#N)CCCC1)c1cc2ccccc2[nH]1 ZINC000926873815 1120172943 /nfs/dbraw/zinc/17/29/43/1120172943.db2.gz JDCXYPCZDMHAJF-ZDUSSCGKSA-N 0 1 267.376 3.902 20 30 CHEDMN C[C@H](NCc1ccc(C#N)c(F)c1)c1cccc(F)c1 ZINC000361837441 1120192659 /nfs/dbraw/zinc/19/26/59/1120192659.db2.gz LQBICWXUBHXVTP-NSHDSACASA-N 0 1 272.298 3.687 20 30 CHEDMN CCOc1ccc([C@@H](C)NCc2ccc(C#N)cc2F)cc1 ZINC000120205914 1120293104 /nfs/dbraw/zinc/29/31/04/1120293104.db2.gz HRZQHHSHLTYJJN-CYBMUJFWSA-N 0 1 298.361 3.947 20 30 CHEDMN C=CCCC[C@H](C)[NH2+]Cc1cccc([O-])c1Cl ZINC000398138770 1120297507 /nfs/dbraw/zinc/29/75/07/1120297507.db2.gz YPDUQFSHXIZPSD-NSHDSACASA-N 0 1 253.773 3.880 20 30 CHEDMN C=CCCC[C@@H](C)[NH2+]Cc1cccc([O-])c1Cl ZINC000398138768 1120297684 /nfs/dbraw/zinc/29/76/84/1120297684.db2.gz YPDUQFSHXIZPSD-LLVKDONJSA-N 0 1 253.773 3.880 20 30 CHEDMN C=CCCOCCNCc1csc(Cl)c1Cl ZINC000309519442 1120318388 /nfs/dbraw/zinc/31/83/88/1120318388.db2.gz AXWJHFOXEAXZDN-UHFFFAOYSA-N 0 1 280.220 3.737 20 30 CHEDMN N#Cc1cc(CN[C@H]2CCCc3c(F)cccc32)cs1 ZINC000922148136 1120384836 /nfs/dbraw/zinc/38/48/36/1120384836.db2.gz AMTJIYFGMIXKPO-INIZCTEOSA-N 0 1 286.375 3.926 20 30 CHEDMN N#Cc1ccc(CN[C@H]2CCOc3c(Cl)cccc32)cc1 ZINC000067248696 1120434343 /nfs/dbraw/zinc/43/43/43/1120434343.db2.gz BQQCHALZBJIMDV-INIZCTEOSA-N 0 1 298.773 3.825 20 30 CHEDMN CC(C)(NCc1ccnn1C1CCC1)c1cccc(C#N)c1 ZINC000922238562 1120480339 /nfs/dbraw/zinc/48/03/39/1120480339.db2.gz FNKDCMFWQAPQOT-UHFFFAOYSA-N 0 1 294.402 3.505 20 30 CHEDMN C[C@@H](CCN1CCC[C@](C)(C#N)C1)c1ccccc1 ZINC000618606454 1128921645 /nfs/dbraw/zinc/92/16/45/1128921645.db2.gz GPJWZRYMOYEKHP-DOTOQJQBSA-N 0 1 256.393 3.806 20 30 CHEDMN N#Cc1ccc(C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)o1 ZINC000092221620 1120540138 /nfs/dbraw/zinc/54/01/38/1120540138.db2.gz GLLNDKPTEZSBQL-SFHVURJKSA-N 0 1 278.355 3.803 20 30 CHEDMN N#Cc1ccc(CN(C2CC2)[C@H]2CCc3ccccc32)o1 ZINC000092221620 1120540141 /nfs/dbraw/zinc/54/01/41/1120540141.db2.gz GLLNDKPTEZSBQL-SFHVURJKSA-N 0 1 278.355 3.803 20 30 CHEDMN C=CCOc1cccc(CN[C@H](c2ccccn2)C2CC2)c1 ZINC000922584620 1120557461 /nfs/dbraw/zinc/55/74/61/1120557461.db2.gz DNHOGKXXGAPVPV-IBGZPJMESA-N 0 1 294.398 3.887 20 30 CHEDMN Cc1cccc2nc(-c3ccc(N(C)CCC#N)cc3)[nH]c21 ZINC000123854256 1120562007 /nfs/dbraw/zinc/56/20/07/1120562007.db2.gz RTBQLGJDRZTVNH-UHFFFAOYSA-N 0 1 290.370 3.888 20 30 CHEDMN C[C@H]1C[C@@H](c2cccc(F)c2)N(Cc2ccc(C#N)o2)C1 ZINC000093531800 1120562612 /nfs/dbraw/zinc/56/26/12/1120562612.db2.gz LPFBOUDJVUGNTH-SJCJKPOMSA-N 0 1 284.334 3.873 20 30 CHEDMN C=CC[C@@H](C)NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000073769836 1120622015 /nfs/dbraw/zinc/62/20/15/1120622015.db2.gz VJXRPDIGZMBJOI-CYBMUJFWSA-N 0 1 281.359 3.520 20 30 CHEDMN C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccccn1 ZINC000335844729 1120645629 /nfs/dbraw/zinc/64/56/29/1120645629.db2.gz SNZJFVGGTLPZHP-SCLBCKFNSA-N 0 1 277.371 3.681 20 30 CHEDMN C=CC[C@@H](N[C@@H](C)c1ccc(C)o1)c1ccncc1 ZINC000766020925 1120665659 /nfs/dbraw/zinc/66/56/59/1120665659.db2.gz REFZYUATJROISQ-DZGCQCFKSA-N 0 1 256.349 3.951 20 30 CHEDMN CC(C)(C)SCC(=O)C(C#N)c1nc2ccccc2o1 ZINC000073977061 1120681933 /nfs/dbraw/zinc/68/19/33/1120681933.db2.gz ASYWDACCLIPJAO-SNVBAGLBSA-N 0 1 288.372 3.536 20 30 CHEDMN CCc1ncc(CN(CC)[C@H](C)c2ccc(C#N)cc2)o1 ZINC000929330279 1120690285 /nfs/dbraw/zinc/69/02/85/1120690285.db2.gz DXYUWAVASZBDBM-CYBMUJFWSA-N 0 1 283.375 3.692 20 30 CHEDMN CCCCCCCC(=O)N1CCNC[C@@H]1c1ccccc1 ZINC000313367507 1120715165 /nfs/dbraw/zinc/71/51/65/1120715165.db2.gz YQTWUIFKAXNKJL-QGZVFWFLSA-N 0 1 288.435 3.520 20 30 CHEDMN C=CC[C@H]1CCCC[C@H]1NCc1nc(CCCC)no1 ZINC000661118397 1120719655 /nfs/dbraw/zinc/71/96/55/1120719655.db2.gz DBOQQLRIWGWPNS-UONOGXRCSA-N 0 1 277.412 3.637 20 30 CHEDMN CC(C)N(CC#Cc1cccc(Cl)c1)Cc1cccnc1 ZINC000093225257 1120735526 /nfs/dbraw/zinc/73/55/26/1120735526.db2.gz WBXOKVWNORCAAV-UHFFFAOYSA-N 0 1 298.817 3.997 20 30 CHEDMN Cc1ncc([C@H](C)N[C@H]2CCc3cc(C#N)ccc32)s1 ZINC000618802873 1128939701 /nfs/dbraw/zinc/93/97/01/1128939701.db2.gz MEGHJHKDZJPQKT-BONVTDFDSA-N 0 1 283.400 3.661 20 30 CHEDMN Cc1ncc([C@H](C)N[C@@H]2CCc3cc(C#N)ccc32)s1 ZINC000618802878 1128940136 /nfs/dbraw/zinc/94/01/36/1128940136.db2.gz MEGHJHKDZJPQKT-ZUZCIYMTSA-N 0 1 283.400 3.661 20 30 CHEDMN C=CCN(Cc1ccc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000595765783 1120788671 /nfs/dbraw/zinc/78/86/71/1120788671.db2.gz OPAYBZSIPSSDQQ-UHFFFAOYSA-N 0 1 266.316 3.520 20 30 CHEDMN C=C(CC)CN[C@H](c1ccc(OC)cc1)c1ccccn1 ZINC000652206670 1120798935 /nfs/dbraw/zinc/79/89/35/1120798935.db2.gz OGEFSNLPVNAYTB-GOSISDBHSA-N 0 1 282.387 3.735 20 30 CHEDMN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000662084272 1120872307 /nfs/dbraw/zinc/87/23/07/1120872307.db2.gz QEMOQELMIFYYLA-BHYGNILZSA-N 0 1 294.402 3.511 20 30 CHEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccn(C(CC)CC)n1 ZINC000662087625 1120872713 /nfs/dbraw/zinc/87/27/13/1120872713.db2.gz GDBYKZHNIMDYCC-CALCHBBNSA-N 0 1 273.424 3.927 20 30 CHEDMN C=C(Cl)CN(C)[C@@H]1C[C@H](OCC)C1(CC)CC ZINC001167818389 1120981862 /nfs/dbraw/zinc/98/18/62/1120981862.db2.gz FTPKJRSOJAEILP-OLZOCXBDSA-N 0 1 259.821 3.655 20 30 CHEDMN C=C(C)Nc1ncc(C(F)(F)F)cc1Br ZINC001174786303 1121030346 /nfs/dbraw/zinc/03/03/46/1121030346.db2.gz BBPXGJQQANGLDH-UHFFFAOYSA-N 0 1 281.075 3.808 20 30 CHEDMN N#Cc1cc(Nc2cccc3ncccc32)c(O)cc1F ZINC001174909177 1121088662 /nfs/dbraw/zinc/08/86/62/1121088662.db2.gz KOJBQRRCGCPJFY-UHFFFAOYSA-N 0 1 279.274 3.695 20 30 CHEDMN N#CCc1cccc2c1CCN(Cc1ccccc1CF)C2 ZINC001175062353 1121146361 /nfs/dbraw/zinc/14/63/61/1121146361.db2.gz NJYLFQJASAFGQQ-UHFFFAOYSA-N 0 1 294.373 3.780 20 30 CHEDMN C=CCN1CCC[C@@H]1c1ccccc1Br ZINC000674869310 1121189685 /nfs/dbraw/zinc/18/96/85/1121189685.db2.gz WRRLIXXWKSMCDA-CYBMUJFWSA-N 0 1 266.182 3.772 20 30 CHEDMN C=C(C)CN(Cc1ccc(CO)o1)Cc1cccc(CC)c1 ZINC000512211442 1121201141 /nfs/dbraw/zinc/20/11/41/1121201141.db2.gz KARZBLMTFKBRJO-UHFFFAOYSA-N 0 1 299.414 3.913 20 30 CHEDMN C[C@H]1CCN(Cc2ccc(C#N)cc2Br)[C@H]1C ZINC000245539189 1121205133 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/nfs/dbraw/zinc/01/33/65/1119013365.db2.gz HOIZJSZGSYHWQA-FOQNGQEVSA-N 0 1 286.356 3.749 20 30 CHEDMN C#C[C@@H](NCc1csc(Br)c1)C(C)(C)C ZINC000309078691 1119070078 /nfs/dbraw/zinc/07/00/78/1119070078.db2.gz NGINNCUCTUDBIF-SNVBAGLBSA-N 0 1 286.238 3.648 20 30 CHEDMN C=CCN(Cc1cccs1)Cc1ccc2c[nH]nc2c1 ZINC000119930615 1119121078 /nfs/dbraw/zinc/12/10/78/1119121078.db2.gz UXHZKUGWRLILFU-UHFFFAOYSA-N 0 1 283.400 3.813 20 30 CHEDMN C=CCN(Cc1cccs1)Cc1ccc2c(c1)ncn2C ZINC000342686007 1119126686 /nfs/dbraw/zinc/12/66/86/1119126686.db2.gz XTGBLFYVOVBOFV-UHFFFAOYSA-N 0 1 297.427 3.823 20 30 CHEDMN C=CCCCN(CC)Cc1nnc(-c2ccc(C)cc2)o1 ZINC000934648778 1119214665 /nfs/dbraw/zinc/21/46/65/1119214665.db2.gz DRTAXBLOFHOFRC-UHFFFAOYSA-N 0 1 285.391 3.833 20 30 CHEDMN CCc1nc(C)c([C@H](C)N(C)CCC(C)(C)C#N)s1 ZINC000119940792 1119226336 /nfs/dbraw/zinc/22/63/36/1119226336.db2.gz ZKZQUOCCHBFHRP-LBPRGKRZSA-N 0 1 279.453 3.947 20 30 CHEDMN C=CCCCCN1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000579916218 1119366833 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Cc1cccc2nc([C@H](C#N)C(=O)[C@@H]3CCC(C)(C)C3)[nH]c21 ZINC000781808510 1120102209 /nfs/dbraw/zinc/10/22/09/1120102209.db2.gz SPLTYRBEPDWEOO-CHWSQXEVSA-N 0 1 295.386 3.874 20 30 CHEDMN C=CCCCCCONC(=O)C(C)(C)c1ccccc1 ZINC000783030535 1120176980 /nfs/dbraw/zinc/17/69/80/1120176980.db2.gz VFCVXILSOBXMJS-UHFFFAOYSA-N 0 1 275.392 3.758 20 30 CHEDMN Cc1ccsc1CN(C)Cc1ccc(C#N)c(F)c1 ZINC000361692529 1120191215 /nfs/dbraw/zinc/19/12/15/1120191215.db2.gz LNWNIEFJWWJXFX-UHFFFAOYSA-N 0 1 274.364 3.699 20 30 CHEDMN C=CC[C@@H](NCc1nccc2c1CCCC2)c1ccncc1 ZINC000921748526 1120196158 /nfs/dbraw/zinc/19/61/58/1120196158.db2.gz WKHFYDOKCGGTCT-GOSISDBHSA-N 0 1 293.414 3.762 20 30 CHEDMN CC(C)(NCc1csc(C#N)c1)c1ccc(F)c(F)c1 ZINC000921819896 1120227857 /nfs/dbraw/zinc/22/78/57/1120227857.db2.gz IXVVGTGPWNDLAA-UHFFFAOYSA-N 0 1 292.354 3.923 20 30 CHEDMN CN(CCc1cccs1)Cc1cn2ccccc2c1C#N ZINC000075965491 1120272605 /nfs/dbraw/zinc/27/26/05/1120272605.db2.gz YQGKZYQZMPTYPU-UHFFFAOYSA-N 0 1 295.411 3.547 20 30 CHEDMN C#CC[C@H](NCc1cnn(CC2CCC2)c1)c1ccccc1 ZINC000921933875 1120290963 /nfs/dbraw/zinc/29/09/63/1120290963.db2.gz AWVLQEVYJZZUFQ-IBGZPJMESA-N 0 1 293.414 3.537 20 30 CHEDMN CCOc1ccc([C@H](C)NCc2ccc(C#N)cc2F)cc1 ZINC000120206053 1120293667 /nfs/dbraw/zinc/29/36/67/1120293667.db2.gz HRZQHHSHLTYJJN-ZDUSSCGKSA-N 0 1 298.361 3.947 20 30 CHEDMN C=CCSCCN[C@H](c1ccc(C)cc1)c1ccccn1 ZINC000925349464 1120294411 /nfs/dbraw/zinc/29/44/11/1120294411.db2.gz CBPJQAVHFGNHGK-GOSISDBHSA-N 0 1 298.455 3.988 20 30 CHEDMN COc1cc(C#N)ccc1Nc1cc(F)c(O)c(Cl)c1 ZINC001214489148 1120305943 /nfs/dbraw/zinc/30/59/43/1120305943.db2.gz UNPOHPRWNCJBCY-UHFFFAOYSA-N 0 1 292.697 3.809 20 30 CHEDMN COc1ccc(F)cc1CNCc1c(C)cc(C#N)cc1C ZINC000922015622 1120336936 /nfs/dbraw/zinc/33/69/36/1120336936.db2.gz TZITUZZJLJRDSK-UHFFFAOYSA-N 0 1 298.361 3.613 20 30 CHEDMN N#Cc1cc(CN[C@H]2CCCc3ccc(F)cc32)cs1 ZINC000922080269 1120358854 /nfs/dbraw/zinc/35/88/54/1120358854.db2.gz VFNZTYPYJSTBAR-INIZCTEOSA-N 0 1 286.375 3.926 20 30 CHEDMN CN(Cc1ccc(C#N)cn1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000566427627 1120407231 /nfs/dbraw/zinc/40/72/31/1120407231.db2.gz ZVVQZHIJOBCPSD-KGLIPLIRSA-N 0 1 297.324 3.506 20 30 CHEDMN C=CCCC[C@@H](C)NCc1csc(C(F)(F)F)n1 ZINC000893301895 1120430176 /nfs/dbraw/zinc/43/01/76/1120430176.db2.gz FIBJZYMAHNCDAL-SECBINFHSA-N 0 1 278.343 3.996 20 30 CHEDMN C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CC(C)(C)C1 ZINC000543182052 1120454148 /nfs/dbraw/zinc/45/41/48/1120454148.db2.gz NFUNXMGACMALNJ-LBPRGKRZSA-N 0 1 260.356 3.565 20 30 CHEDMN N#Cc1cc(CNC2(c3ccc(C#N)cc3)CCC2)cs1 ZINC000922224787 1120476954 /nfs/dbraw/zinc/47/69/54/1120476954.db2.gz SXLFPNBATBDLKY-UHFFFAOYSA-N 0 1 293.395 3.660 20 30 CHEDMN Cc1ccnc(NCc2csc(C#N)c2)c1C1CC1 ZINC000922245880 1120483221 /nfs/dbraw/zinc/48/32/21/1120483221.db2.gz YLWMYUKETCJQTG-UHFFFAOYSA-N 0 1 269.373 3.813 20 30 CHEDMN C#CC[C@H](N[C@H](C)c1ccns1)c1ccccc1 ZINC000925634656 1120498692 /nfs/dbraw/zinc/49/86/92/1120498692.db2.gz LEOHNHDCQAYJGR-OCCSQVGLSA-N 0 1 256.374 3.558 20 30 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CHEDMN C=C(C)CCN(CC(=O)OC)[C@H](CC)c1ccccc1 ZINC000509027535 1120601214 /nfs/dbraw/zinc/60/12/14/1120601214.db2.gz FPBCOEMDGLQLCM-MRXNPFEDSA-N 0 1 275.392 3.579 20 30 CHEDMN C=CC1CCN(Cc2coc(-c3ccccc3F)n2)CC1 ZINC000625158745 1120640967 /nfs/dbraw/zinc/64/09/67/1120640967.db2.gz JDUJVUWFEDRJPM-UHFFFAOYSA-N 0 1 286.350 3.879 20 30 CHEDMN N#Cc1c(F)cccc1CN(C1CCC1)C1CCC1 ZINC000429128473 1120670962 /nfs/dbraw/zinc/67/09/62/1120670962.db2.gz BBNVHYQMIZCSNB-UHFFFAOYSA-N 0 1 258.340 3.604 20 30 CHEDMN C=CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C)C1 ZINC000661379359 1120759596 /nfs/dbraw/zinc/75/95/96/1120759596.db2.gz XHBCPIQZVRISOZ-CVEARBPZSA-N 0 1 286.419 3.610 20 30 CHEDMN C=CC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cn2)C1 ZINC000661380318 1120759797 /nfs/dbraw/zinc/75/97/97/1120759797.db2.gz FOEHYPYUURCDKQ-GFCCVEGCSA-N 0 1 250.773 3.523 20 30 CHEDMN C=CC[C@@H]1CCCN(Cc2ccc(Cl)cn2)C1 ZINC000661380318 1120759799 /nfs/dbraw/zinc/75/97/99/1120759799.db2.gz FOEHYPYUURCDKQ-GFCCVEGCSA-N 0 1 250.773 3.523 20 30 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0 1 280.209 3.773 20 30 CHEDMN C#Cc1ccc(CN[C@H](c2ccccc2)c2cccnc2)cc1 ZINC000367295247 1127752114 /nfs/dbraw/zinc/75/21/14/1127752114.db2.gz PGCVMHHGMIUQNY-OAQYLSRUSA-N 0 1 298.389 3.942 20 30 CHEDMN C[C@H](N[C@H]1c2ccc(F)cc2O[C@@H]1C)c1ccc(C#N)cc1 ZINC000367578862 1127754640 /nfs/dbraw/zinc/75/46/40/1127754640.db2.gz XNZLBNLDTUHBLL-VNBZBWLYSA-N 0 1 296.345 3.870 20 30 CHEDMN COc1cccc([C@H]2CCCN2Cc2ccccc2C#N)c1 ZINC000009903097 1127761012 /nfs/dbraw/zinc/76/10/12/1127761012.db2.gz HATVINZIYFPQSK-LJQANCHMSA-N 0 1 292.382 3.904 20 30 CHEDMN CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1cnc(C)cn1 ZINC000411162775 1127843786 /nfs/dbraw/zinc/84/37/86/1127843786.db2.gz DJYXCQZNMVESLC-HNNXBMFYSA-N 0 1 294.402 3.630 20 30 CHEDMN CCCN(Cc1ccc(C#N)cc1)[C@@H](C)c1cnc(C)cn1 ZINC000411162775 1127843787 /nfs/dbraw/zinc/84/37/87/1127843787.db2.gz DJYXCQZNMVESLC-HNNXBMFYSA-N 0 1 294.402 3.630 20 30 CHEDMN COc1c(C)cccc1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000594511964 1127903519 /nfs/dbraw/zinc/90/35/19/1127903519.db2.gz SLULUPRCKMWTDK-SFHVURJKSA-N 0 1 292.382 3.652 20 30 CHEDMN CCn1cccc1CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000442689210 1127908291 /nfs/dbraw/zinc/90/82/91/1127908291.db2.gz RYFXJJBHKDVARF-AWEZNQCLSA-N 0 1 267.376 3.573 20 30 CHEDMN COc1cc(C[N@H+]2CCC[C@H]2c2ccsc2)ccc1C#N ZINC000442808823 1127918383 /nfs/dbraw/zinc/91/83/83/1127918383.db2.gz IOQPMHKTRKFASG-INIZCTEOSA-N 0 1 298.411 3.965 20 30 CHEDMN COc1cc(CN2CCC[C@H]2c2ccsc2)ccc1C#N ZINC000442808823 1127918385 /nfs/dbraw/zinc/91/83/85/1127918385.db2.gz IOQPMHKTRKFASG-INIZCTEOSA-N 0 1 298.411 3.965 20 30 CHEDMN CC1=C(c2ccco2)CN(Cc2ccc(C#N)s2)CC1 ZINC000374994512 1127923492 /nfs/dbraw/zinc/92/34/92/1127923492.db2.gz LNGABIRQSZJKNO-UHFFFAOYSA-N 0 1 284.384 3.892 20 30 CHEDMN Cc1cccc([C@H]2CCN(Cc3ccc(F)cc3C#N)C2)c1 ZINC000544191808 1127963225 /nfs/dbraw/zinc/96/32/25/1127963225.db2.gz KFXBOARORNLBMY-KRWDZBQOSA-N 0 1 294.373 3.995 20 30 CHEDMN C=CCCN(C)CC(=O)Nc1ccccc1-c1ccccc1 ZINC000467285217 1127963338 /nfs/dbraw/zinc/96/33/38/1127963338.db2.gz ZPPTZNADEVKTSG-UHFFFAOYSA-N 0 1 294.398 3.800 20 30 CHEDMN CC[C@]1(C)CCN(Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000468135787 1127993818 /nfs/dbraw/zinc/99/38/18/1127993818.db2.gz GURCJWXBSJYSBW-MRXNPFEDSA-N 0 1 294.345 3.782 20 30 CHEDMN N#Cc1cc(CN2CC[C@@H]2Cc2ccccc2)ccc1F ZINC000468277054 1128001564 /nfs/dbraw/zinc/00/15/64/1128001564.db2.gz CTBNQSNAMRSOJL-QGZVFWFLSA-N 0 1 280.346 3.514 20 30 CHEDMN C=CC1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000541999776 1128046830 /nfs/dbraw/zinc/04/68/30/1128046830.db2.gz YRVHEIDZBPDUPX-UHFFFAOYSA-N 0 1 280.755 3.646 20 30 CHEDMN CCOc1ccccc1CNCc1ccc(C#N)c(C)c1 ZINC000443968682 1128106107 /nfs/dbraw/zinc/10/61/07/1128106107.db2.gz WSYFYZPBTDWHDZ-UHFFFAOYSA-N 0 1 280.371 3.555 20 30 CHEDMN N#Cc1cccc(CN[C@@H]2CCCc3c(Cl)ccnc32)c1 ZINC000924641285 1128108927 /nfs/dbraw/zinc/10/89/27/1128108927.db2.gz YAMLHDJMNFHTKL-MRXNPFEDSA-N 0 1 297.789 3.774 20 30 CHEDMN C=C(C)COCCN[C@H](c1ccc(C)cc1)c1cccnc1 ZINC000925532876 1128131427 /nfs/dbraw/zinc/13/14/27/1128131427.db2.gz VPFUTMNEXXRMRB-LJQANCHMSA-N 0 1 296.414 3.662 20 30 CHEDMN Cc1ncc([C@@H](C)NC2CC(C#N)(c3ccccc3)C2)s1 ZINC001118933166 1131242114 /nfs/dbraw/zinc/24/21/14/1131242114.db2.gz JEMVUCATKPHHDJ-OLJMKKDRSA-N 0 1 297.427 3.726 20 30 CHEDMN CSc1cccc(F)c1CN[C@@H](C)CC(C)(C)C#N ZINC000926402112 1128170272 /nfs/dbraw/zinc/17/02/72/1128170272.db2.gz SKFUJZNGWZABNL-NSHDSACASA-N 0 1 280.412 3.966 20 30 CHEDMN Cc1cc([C@@H]2CCCN2Cc2c(C)cc(C#N)cc2C)on1 ZINC000929289788 1128268320 /nfs/dbraw/zinc/26/83/20/1128268320.db2.gz ZBKZHQWQXUVHMJ-KRWDZBQOSA-N 0 1 295.386 3.809 20 30 CHEDMN CC(C)c1ccc2c(c1)C(=NNc1cnn(C)c1)CCCO2 ZINC000761881900 1128250317 /nfs/dbraw/zinc/25/03/17/1128250317.db2.gz RRHDYLOXFSFIOW-UHFFFAOYSA-N 0 1 298.390 3.532 20 30 CHEDMN COc1ccsc1[C@@H](C)NCc1ccc(C)c(C#N)c1 ZINC000926966701 1128206472 /nfs/dbraw/zinc/20/64/72/1128206472.db2.gz MSBGTHPATCFEHO-GFCCVEGCSA-N 0 1 286.400 3.788 20 30 CHEDMN CCc1ccc(CN(Cc2cncc(C#N)c2)C2CC2)cc1 ZINC000929258392 1128266582 /nfs/dbraw/zinc/26/65/82/1128266582.db2.gz YEHOQPDQNRDKOB-UHFFFAOYSA-N 0 1 291.398 3.680 20 30 CHEDMN C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1)C[C@H](O)CC#N ZINC000929366682 1128272105 /nfs/dbraw/zinc/27/21/05/1128272105.db2.gz MGTAIQICEBBQKI-QFBILLFUSA-N 0 1 294.398 3.524 20 30 CHEDMN C[C@@H](c1ccccc1)N(Cc1ccccc1)C[C@H](O)CC#N ZINC000929366682 1128272108 /nfs/dbraw/zinc/27/21/08/1128272108.db2.gz MGTAIQICEBBQKI-QFBILLFUSA-N 0 1 294.398 3.524 20 30 CHEDMN CCN(CCC(F)(F)F)Cc1cc(Cl)cc(C#N)c1 ZINC000929466348 1128274303 /nfs/dbraw/zinc/27/43/03/1128274303.db2.gz NKQIOSIMQGVLOC-UHFFFAOYSA-N 0 1 290.716 3.986 20 30 CHEDMN Cc1cc(C#N)cc(C)c1CN(Cc1ccncc1)C1CC1 ZINC000930112079 1128301577 /nfs/dbraw/zinc/30/15/77/1128301577.db2.gz NFAHHRNZQHJIHY-UHFFFAOYSA-N 0 1 291.398 3.735 20 30 CHEDMN CC(C)c1ncc(CN=Nc2cc(Cl)ccn2)s1 ZINC000777905639 1128316247 /nfs/dbraw/zinc/31/62/47/1128316247.db2.gz MYSNTTLBQNCMDV-UHFFFAOYSA-N 0 1 280.784 3.761 20 30 CHEDMN COc1ccc(Cl)cc1C=NNc1cc(Cl)ccn1 ZINC000777907025 1128317967 /nfs/dbraw/zinc/31/79/67/1128317967.db2.gz LPPSGKXDPNORMK-UHFFFAOYSA-N 0 1 296.157 3.843 20 30 CHEDMN Fc1cccc2c1CCC2=NNc1cc(Cl)ccn1 ZINC000777907676 1128318171 /nfs/dbraw/zinc/31/81/71/1128318171.db2.gz ZWQWYAODQUQQTF-UHFFFAOYSA-N 0 1 275.714 3.637 20 30 CHEDMN CCC[C@H](NCc1ccc(C#N)cc1)c1ccccn1 ZINC000609222958 1128326153 /nfs/dbraw/zinc/32/61/53/1128326153.db2.gz QSXOGSVJUNOHLG-INIZCTEOSA-N 0 1 265.360 3.584 20 30 CHEDMN C[C@@H](NC1(c2cccc(C#N)c2)CC1)c1ccc(C#N)cc1 ZINC000272341409 1128327832 /nfs/dbraw/zinc/32/78/32/1128327832.db2.gz ZQOMHWMYFIXJBP-CQSZACIVSA-N 0 1 287.366 3.770 20 30 CHEDMN N#Cc1ccc(CN2CCCCC[C@@H]2c2ccco2)nc1 ZINC000562629657 1128413649 /nfs/dbraw/zinc/41/36/49/1128413649.db2.gz KREDMDHRYQEAPN-MRXNPFEDSA-N 0 1 281.359 3.664 20 30 CHEDMN CC(N=Nc1ccccc1[N+](=O)[O-])c1c(F)cccc1F ZINC000916249573 1128413673 /nfs/dbraw/zinc/41/36/73/1128413673.db2.gz ZPKDQJIRNYZTTR-UHFFFAOYSA-N 0 1 291.257 3.709 20 30 CHEDMN Oc1c(Cl)cc(Cl)cc1/C=N\Cc1ccc(F)cn1 ZINC000763098500 1128351791 /nfs/dbraw/zinc/35/17/91/1128351791.db2.gz YBHLVNMLAAHQAF-ZWSORDCHSA-N 0 1 299.132 3.852 20 30 CHEDMN CCCCCCCCC(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000763198409 1128372872 /nfs/dbraw/zinc/37/28/72/1128372872.db2.gz QIXDPFNQQHAIKP-CYBMUJFWSA-N 0 1 294.443 3.856 20 30 CHEDMN C=C[C@H](CC)CC(=O)Nc1[nH]nc(-c2ccncc2)c1CC ZINC000931820644 1128382653 /nfs/dbraw/zinc/38/26/53/1128382653.db2.gz SUENIEDFOBMALM-GFCCVEGCSA-N 0 1 298.390 3.575 20 30 CHEDMN CC(=NN=c1nc[nH]c2sc(C)c(C)c21)c1ccco1 ZINC000916309085 1128416562 /nfs/dbraw/zinc/41/65/62/1128416562.db2.gz DETVADNFJJVTCF-UHFFFAOYSA-N 0 1 286.360 3.737 20 30 CHEDMN Clc1ccccc1C=NN=c1[nH]c2ccccc2[nH]1 ZINC000915915471 1128395380 /nfs/dbraw/zinc/39/53/80/1128395380.db2.gz LMYVVBGYGXOVOE-UHFFFAOYSA-N 0 1 270.723 3.662 20 30 CHEDMN Cc1cc(NN=Cc2ccc(Cl)c(Cl)c2)nc(C)n1 ZINC000915970965 1128398072 /nfs/dbraw/zinc/39/80/72/1128398072.db2.gz WCMLTRCUSAWVDU-UHFFFAOYSA-N 0 1 295.173 3.846 20 30 CHEDMN CC(C)N(CCC#N)CCc1cccc(Cl)c1 ZINC000562679519 1128417381 /nfs/dbraw/zinc/41/73/81/1128417381.db2.gz UQGGTELHJDRQRI-UHFFFAOYSA-N 0 1 250.773 3.507 20 30 CHEDMN Fc1ccccc1C=NNc1nccc2sccc21 ZINC000915978945 1128398885 /nfs/dbraw/zinc/39/88/85/1128398885.db2.gz BLDBZOFBSHGKTR-UHFFFAOYSA-N 0 1 271.320 3.881 20 30 CHEDMN C[C@@H](c1cc2ccccc2o1)N(C)Cc1ccc(C#N)cn1 ZINC000562383745 1128399433 /nfs/dbraw/zinc/39/94/33/1128399433.db2.gz YXDKNUUHBGCLPS-ZDUSSCGKSA-N 0 1 291.354 3.892 20 30 CHEDMN CC(=NNc1nccc2sccc21)c1scnc1C ZINC000915979889 1128399650 /nfs/dbraw/zinc/39/96/50/1128399650.db2.gz NISSVRUPYGRZMV-UHFFFAOYSA-N 0 1 288.401 3.897 20 30 CHEDMN C=CCOc1ccccc1CN[C@H](C)c1cccc(O)c1 ZINC000037319153 1128430984 /nfs/dbraw/zinc/43/09/84/1128430984.db2.gz MTOILJYMBBNJSB-CQSZACIVSA-N 0 1 283.371 3.808 20 30 CHEDMN Cc1cc(CN[C@H](C)c2cccc(F)c2F)ccc1C#N ZINC000488170240 1128438997 /nfs/dbraw/zinc/43/89/97/1128438997.db2.gz PBZIVLRZHSOQLZ-GFCCVEGCSA-N 0 1 286.325 3.996 20 30 CHEDMN Cc1csc(CN2CCC(c3ccc(C#N)cc3)CC2)n1 ZINC000933608098 1128439103 /nfs/dbraw/zinc/43/91/03/1128439103.db2.gz VPLAWZQLDJWLOT-UHFFFAOYSA-N 0 1 297.427 3.703 20 30 CHEDMN C=CCC[C@H](NCc1ccc2cnn(C)c2c1)c1ccco1 ZINC000563879133 1128483562 /nfs/dbraw/zinc/48/35/62/1128483562.db2.gz ZJFATCITVQASKY-INIZCTEOSA-N 0 1 295.386 3.963 20 30 CHEDMN C=CCCC(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000170665580 1128490606 /nfs/dbraw/zinc/49/06/06/1128490606.db2.gz IOSRGEBQRLMYNI-UHFFFAOYSA-N 0 1 271.364 3.765 20 30 CHEDMN C=CCCc1ccccc1NC(=O)[C@@H]1CCCN1C(C)C ZINC000935833026 1128504377 /nfs/dbraw/zinc/50/43/77/1128504377.db2.gz QBIFECOSZXQRTC-KRWDZBQOSA-N 0 1 286.419 3.617 20 30 CHEDMN Cc1ccc2c(CN=Nc3cccc([N+](=O)[O-])c3)c[nH]c2c1 ZINC000917531753 1128505413 /nfs/dbraw/zinc/50/54/13/1128505413.db2.gz CODOBKCVDJPCFU-UHFFFAOYSA-N 0 1 294.314 3.831 20 30 CHEDMN COc1ccc(C(C)N=Nc2ccc(F)cc2F)cc1F ZINC000917563948 1128506030 /nfs/dbraw/zinc/50/60/30/1128506030.db2.gz TWEFPGYTFAULHK-UHFFFAOYSA-N 0 1 294.276 3.949 20 30 CHEDMN O=C(/C=C\c1ccc(F)cc1)c1cc(F)ccc1O ZINC000033447970 1128529099 /nfs/dbraw/zinc/52/90/99/1128529099.db2.gz MICVLUDXQZRAIN-CLTKARDFSA-N 0 1 260.239 3.567 20 30 CHEDMN Cc1ccc2nc(-c3ccc(O[C@@H](C)C#N)cc3)[nH]c2c1 ZINC000154646161 1128535346 /nfs/dbraw/zinc/53/53/46/1128535346.db2.gz HLQXDNUWGPAHQJ-LBPRGKRZSA-N 0 1 277.327 3.829 20 30 CHEDMN N#CC(C(=O)C1(c2cccc(Cl)c2)CC1)c1ccccn1 ZINC000041481614 1128545070 /nfs/dbraw/zinc/54/50/70/1128545070.db2.gz JBZIOSZKAYXKDD-AWEZNQCLSA-N 0 1 296.757 3.643 20 30 CHEDMN C[C@@H](NCc1cc(C#N)ccc1F)c1ccc(F)cc1 ZINC000042321124 1128572832 /nfs/dbraw/zinc/57/28/32/1128572832.db2.gz HDXGWRFBKDWWQC-LLVKDONJSA-N 0 1 272.298 3.687 20 30 CHEDMN C[C@@H]1CCN(Cc2ccc(C#N)cn2)[C@@H]1c1cccc(F)c1 ZINC000569985576 1128613823 /nfs/dbraw/zinc/61/38/23/1128613823.db2.gz OWSKSKOIRVLEPN-ACJLOTCBSA-N 0 1 295.361 3.675 20 30 CHEDMN N#Cc1ccc(CN2CCC[C@H]2/C=C/c2ccccc2)nc1 ZINC000568103760 1128577898 /nfs/dbraw/zinc/57/78/98/1128577898.db2.gz KCLNELFSGJTWTQ-JARZOMNASA-N 0 1 289.382 3.631 20 30 CHEDMN 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1128266227 /nfs/dbraw/zinc/26/62/27/1128266227.db2.gz MTLACUAHMYACEK-UHFFFAOYSA-N 0 1 297.402 3.829 20 30 CHEDMN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(F)nc1 ZINC000930202684 1128306236 /nfs/dbraw/zinc/30/62/36/1128306236.db2.gz NXIVVJXKHOYLLZ-NWDGAFQWSA-N 0 1 269.323 3.504 20 30 CHEDMN N#Cc1cc(Cl)cc(CN2CC[C@H](c3ccccn3)C2)c1 ZINC000930315329 1128313481 /nfs/dbraw/zinc/31/34/81/1128313481.db2.gz OUUWZMHWLHVKNI-HNNXBMFYSA-N 0 1 297.789 3.596 20 30 CHEDMN Cc1ccc(F)cc1/C=C\C(=O)c1ccc(O)c(F)c1 ZINC000777917163 1128324460 /nfs/dbraw/zinc/32/44/60/1128324460.db2.gz ZAEUYLRJGGTVDK-UTCJRWHESA-N 0 1 274.266 3.875 20 30 CHEDMN C=CC(C)(C)NC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000930562139 1128325788 /nfs/dbraw/zinc/32/57/88/1128325788.db2.gz MMTUXSPLPNZQBV-UHFFFAOYSA-N 0 1 294.305 3.587 20 30 CHEDMN CCc1ncc(CN[C@@H](CCCC#N)c2ccccc2)o1 ZINC000930570191 1128326278 /nfs/dbraw/zinc/32/62/78/1128326278.db2.gz QZFZBIXMTWQOLA-INIZCTEOSA-N 0 1 283.375 3.762 20 30 CHEDMN CCc1ccc(C(C)N=Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000916244927 1128413135 /nfs/dbraw/zinc/41/31/35/1128413135.db2.gz GITOPQDBQPVBNB-UHFFFAOYSA-N 0 1 283.331 3.993 20 30 CHEDMN Cc1ccccc1C(C)N=Nc1cccc([N+](=O)[O-])c1 ZINC000916268987 1128414367 /nfs/dbraw/zinc/41/43/67/1128414367.db2.gz KMDPJSMTYUHUGE-UHFFFAOYSA-N 0 1 269.304 3.739 20 30 CHEDMN CC(N=Nc1c(Cl)cccc1Cl)c1cnccn1 ZINC000763180234 1128367741 /nfs/dbraw/zinc/36/77/41/1128367741.db2.gz QPYUVDDSKGRGFP-UHFFFAOYSA-N 0 1 281.146 3.620 20 30 CHEDMN Cc1nn(C)c(C)c1CN=Nc1c(Cl)cccc1Cl ZINC000763181263 1128368448 /nfs/dbraw/zinc/36/84/48/1128368448.db2.gz WUZYZSRRNIKTDI-UHFFFAOYSA-N 0 1 297.189 3.790 20 30 CHEDMN CCCOc1ccc(C=NNc2ccccn2)cc1OCC ZINC000916276041 1128415328 /nfs/dbraw/zinc/41/53/28/1128415328.db2.gz HZJCEABIGHQNHO-UHFFFAOYSA-N 0 1 299.374 3.715 20 30 CHEDMN C=CC[C@@H](N[C@@H]1CCCc2cccnc21)c1ccncc1 ZINC000798928992 1128384583 /nfs/dbraw/zinc/38/45/83/1128384583.db2.gz JIUYCAJEPMMIEB-IAGOWNOFSA-N 0 1 279.387 3.761 20 30 CHEDMN C=CC[C@H](N[C@@H]1CCCc2cccnc21)c1ccncc1 ZINC000798928991 1128385121 /nfs/dbraw/zinc/38/51/21/1128385121.db2.gz JIUYCAJEPMMIEB-DLBZAZTESA-N 0 1 279.387 3.761 20 30 CHEDMN Cc1n[nH]cc1C=NNc1cc(C)c2cc(Cl)ccc2n1 ZINC000915956427 1128396722 /nfs/dbraw/zinc/39/67/22/1128396722.db2.gz SUSRRGWENYXUII-UHFFFAOYSA-N 0 1 299.765 3.674 20 30 CHEDMN O=[N+]([O-])c1ccc(NN=Cc2csc3ccccc23)nc1 ZINC000915968262 1128398178 /nfs/dbraw/zinc/39/81/78/1128398178.db2.gz FTYZZRLTXKXPQH-UHFFFAOYSA-N 0 1 298.327 3.651 20 30 CHEDMN CC(C)(C)c1n[nH]c(SCC2CCC(C#N)CC2)n1 ZINC000916545829 1128424010 /nfs/dbraw/zinc/42/40/10/1128424010.db2.gz WWVBAQURDFIAPP-UHFFFAOYSA-N 0 1 278.425 3.524 20 30 CHEDMN CC(C)(C)c1nc(SCC2CCC(C#N)CC2)n[nH]1 ZINC000916545829 1128424011 /nfs/dbraw/zinc/42/40/11/1128424011.db2.gz WWVBAQURDFIAPP-UHFFFAOYSA-N 0 1 278.425 3.524 20 30 CHEDMN CC(=NN=c1ccc2ccccc2[nH]1)c1cc(F)ccc1O ZINC000916595168 1128428121 /nfs/dbraw/zinc/42/81/21/1128428121.db2.gz ZBSJGRDXOXDYNM-UHFFFAOYSA-N 0 1 295.317 3.916 20 30 CHEDMN CC(N=Nc1ccc2ccccc2n1)c1cc(F)ccc1O ZINC000916595168 1128428122 /nfs/dbraw/zinc/42/81/22/1128428122.db2.gz ZBSJGRDXOXDYNM-UHFFFAOYSA-N 0 1 295.317 3.916 20 30 CHEDMN COc1ccc([C@@H](C)NCc2cc(C#N)ccc2F)cc1C ZINC000933487620 1128435987 /nfs/dbraw/zinc/43/59/87/1128435987.db2.gz SRGJFXIVSUIVKN-CYBMUJFWSA-N 0 1 298.361 3.865 20 30 CHEDMN Cc1cc(C[N@@H+](C)CCOCc2ccccc2)ccc1C#N ZINC000488171261 1128438971 /nfs/dbraw/zinc/43/89/71/1128438971.db2.gz NYTYLEGIANHJLX-UHFFFAOYSA-N 0 1 294.398 3.515 20 30 CHEDMN C#CCN(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000917071155 1128475721 /nfs/dbraw/zinc/47/57/21/1128475721.db2.gz OQBFHHQFPMHKJL-UHFFFAOYSA-N 0 1 254.160 3.591 20 30 CHEDMN CCn1c2ccccc2nc1CN=Nc1ccccc1F ZINC000917543240 1128504013 /nfs/dbraw/zinc/50/40/13/1128504013.db2.gz KPSXTHPMCCFSFK-UHFFFAOYSA-N 0 1 282.322 3.641 20 30 CHEDMN CC(=NN=c1cccc[nH]1)c1nc2ccccc2s1 ZINC000917568231 1128506566 /nfs/dbraw/zinc/50/65/66/1128506566.db2.gz UBYGQQKQRRDXSG-UHFFFAOYSA-N 0 1 268.345 3.527 20 30 CHEDMN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1cn2ccccc2n1 ZINC000556236378 1128566624 /nfs/dbraw/zinc/56/66/24/1128566624.db2.gz KNGQBCSBNMKRJQ-UONOGXRCSA-N 0 1 290.370 3.618 20 30 CHEDMN C[C@H]1CCN(Cc2ccc(C#N)cn2)[C@@H]1c1cccc(F)c1 ZINC000569985593 1128613683 /nfs/dbraw/zinc/61/36/83/1128613683.db2.gz OWSKSKOIRVLEPN-UGSOOPFHSA-N 0 1 295.361 3.675 20 30 CHEDMN CCn1ccnc1C(C)N=Nc1cccc(C)c1Cl ZINC000901316574 1128592318 /nfs/dbraw/zinc/59/23/18/1128592318.db2.gz CBMSUNUPUXXAJW-UHFFFAOYSA-N 0 1 276.771 3.701 20 30 CHEDMN Cc1nn(C(C)C)c(C)c1CN=Nc1cc(F)ccc1F ZINC000901320433 1128601317 /nfs/dbraw/zinc/60/13/17/1128601317.db2.gz OPYKSCJDQQSVPU-UHFFFAOYSA-N 0 1 292.333 3.805 20 30 CHEDMN C=CCC[C@@H](NC[C@H](C#N)CCC#N)c1ccccc1 ZINC000570710959 1128630486 /nfs/dbraw/zinc/63/04/86/1128630486.db2.gz PAQJGHHQYXSWNH-DOTOQJQBSA-N 0 1 267.376 3.727 20 30 CHEDMN CCn1c2ccc(C#N)cc2nc1-c1cc(F)c(O)c(F)c1 ZINC000155098142 1128631137 /nfs/dbraw/zinc/63/11/37/1128631137.db2.gz MBDWNXXXLSWZOW-UHFFFAOYSA-N 0 1 299.280 3.579 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20 30 CHEDMN CCCCC[C@@H]1CCCN1CC(=O)Nc1cccc(C#N)c1 ZINC000486804263 1127005037 /nfs/dbraw/zinc/00/50/37/1127005037.db2.gz UUASCYNJYDZKSB-QGZVFWFLSA-N 0 1 299.418 3.541 20 30 CHEDMN CC(C)(C)c1cnc([C@H](C#N)C(=O)C=C2CCC2)s1 ZINC000797572620 1130994293 /nfs/dbraw/zinc/99/42/93/1130994293.db2.gz DQGQHGUNDDVXAR-LLVKDONJSA-N 0 1 274.389 3.727 20 30 CHEDMN CC(C)(C)c1cnc(C(C#N)C(=O)C=C2CCC2)s1 ZINC000797572620 1130994301 /nfs/dbraw/zinc/99/43/01/1130994301.db2.gz DQGQHGUNDDVXAR-LLVKDONJSA-N 0 1 274.389 3.727 20 30 CHEDMN C=C(C)CN(Cc1cnn(C(C)C)c1)[C@@H]1CC[C@@H](C#N)C1 ZINC000339193522 1127119120 /nfs/dbraw/zinc/11/91/20/1127119120.db2.gz GZFMHMZTILTKAC-NVXWUHKLSA-N 0 1 286.423 3.534 20 30 CHEDMN C[N@@H+](Cc1cc(C#N)ccc1F)[C@H]1CCc2ccccc21 ZINC000029489402 1127124647 /nfs/dbraw/zinc/12/46/47/1127124647.db2.gz SHEXXWUMRLDSCC-SFHVURJKSA-N 0 1 280.346 3.817 20 30 CHEDMN CN(Cc1cc(C#N)ccc1F)[C@H]1CCc2ccccc21 ZINC000029489402 1127124650 /nfs/dbraw/zinc/12/46/50/1127124650.db2.gz 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/nfs/dbraw/zinc/27/23/93/1127272393.db2.gz ILQMVKUSONKHRI-LBPRGKRZSA-N 0 1 283.350 3.560 20 30 CHEDMN N#C[C@H](c1ccccc1)[C@@H]1CCCN1CCC[C@H]1CCOC1 ZINC000592071193 1127334256 /nfs/dbraw/zinc/33/42/56/1127334256.db2.gz CARJPNNGHAHDHV-UHOSZYNNSA-N 0 1 298.430 3.575 20 30 CHEDMN CC(C)(C)[C@@H]1CCCN(Cc2ccncc2C#N)CC1 ZINC000592069817 1127335082 /nfs/dbraw/zinc/33/50/82/1127335082.db2.gz UEJAQEWOYUWFFU-MRXNPFEDSA-N 0 1 271.408 3.601 20 30 CHEDMN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CC1=CCCC1 ZINC000592071440 1127335263 /nfs/dbraw/zinc/33/52/63/1127335263.db2.gz GEIDEPPQHOBKPA-ROUUACIJSA-N 0 1 266.388 3.868 20 30 CHEDMN Cc1ccc([C@H]2CCN(Cc3ccncc3C#N)C2)c(C)c1 ZINC000592121193 1127335530 /nfs/dbraw/zinc/33/55/30/1127335530.db2.gz NQSUDCUSADHYPW-KRWDZBQOSA-N 0 1 291.398 3.560 20 30 CHEDMN N#CCCC1CCN(Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000592517294 1127352680 /nfs/dbraw/zinc/35/26/80/1127352680.db2.gz XUXOHGFUBFOVHF-UHFFFAOYSA-N 0 1 294.402 3.592 20 30 CHEDMN N#CCCCNC1(c2ccccc2Br)CCC1 ZINC000593038811 1127369005 /nfs/dbraw/zinc/36/90/05/1127369005.db2.gz IOLMYJNLCWFZRX-UHFFFAOYSA-N 0 1 293.208 3.722 20 30 CHEDMN CC[C@@H](C(=O)OC(C)(C)C)N(C)CCCCC(C)(C)C#N ZINC000593115926 1127374470 /nfs/dbraw/zinc/37/44/70/1127374470.db2.gz GGBXXXNOZKGNAW-AWEZNQCLSA-N 0 1 296.455 3.759 20 30 CHEDMN C[C@@H](NCCCC#N)c1ccc(-c2ccccc2)cn1 ZINC000593614975 1127391097 /nfs/dbraw/zinc/39/10/97/1127391097.db2.gz JDSQTDKFSVZFQT-CQSZACIVSA-N 0 1 265.360 3.703 20 30 CHEDMN C[C@H](NCc1ccccc1N(C)C)c1ccc(C#N)cc1F ZINC000358557856 1127426801 /nfs/dbraw/zinc/42/68/01/1127426801.db2.gz NNKSINLOUSKYQC-ZDUSSCGKSA-N 0 1 297.377 3.614 20 30 CHEDMN N#CC1(CN[C@H]2CCc3c2cccc3F)CCCCC1 ZINC000594717455 1127429935 /nfs/dbraw/zinc/42/99/35/1127429935.db2.gz LLUVMWHODZWVID-INIZCTEOSA-N 0 1 272.367 3.877 20 30 CHEDMN Cc1ccnc(NCc2cc(C#N)cs2)c1C1CC1 ZINC000594742654 1127431065 /nfs/dbraw/zinc/43/10/65/1127431065.db2.gz MEXLDYSDPUKDSS-UHFFFAOYSA-N 0 1 269.373 3.813 20 30 CHEDMN N#CC1(CNCc2ccnc3ccccc23)CCCCC1 ZINC000594981940 1127443232 /nfs/dbraw/zinc/44/32/32/1127443232.db2.gz VVJDMNYKNPZZPL-UHFFFAOYSA-N 0 1 279.387 3.798 20 30 CHEDMN N#Cc1ccc2c(c1)[C@@H](NCC1(C#N)CCCCC1)CC2 ZINC000595090672 1127454216 /nfs/dbraw/zinc/45/42/16/1127454216.db2.gz KROMORFXRSWVKH-KRWDZBQOSA-N 0 1 279.387 3.609 20 30 CHEDMN Cc1nc2c(s1)[C@@H](NCC1(C#N)CCCCC1)CCC2 ZINC000595090679 1127454218 /nfs/dbraw/zinc/45/42/18/1127454218.db2.gz KTOIEJGGTZZDFK-ZDUSSCGKSA-N 0 1 289.448 3.893 20 30 CHEDMN Cc1nc([C@H]2CCCN2CCc2ccc(C#N)cc2)cs1 ZINC000595439062 1127462974 /nfs/dbraw/zinc/46/29/74/1127462974.db2.gz CZMDAEWFMDMXGV-QGZVFWFLSA-N 0 1 297.427 3.703 20 30 CHEDMN CSc1cccc(CN2CCC[C@@H](CC#N)C2)c1 ZINC000595623953 1127469049 /nfs/dbraw/zinc/46/90/49/1127469049.db2.gz ZMOZVGPRUKICHU-ZDUSSCGKSA-N 0 1 260.406 3.534 20 30 CHEDMN N#CC[C@H]1CCCN(CCCc2c(F)cccc2F)C1 ZINC000595623329 1127469056 /nfs/dbraw/zinc/46/90/56/1127469056.db2.gz NFZGIKRIDQZZPX-CYBMUJFWSA-N 0 1 278.346 3.523 20 30 CHEDMN C=C(C)COCC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000168845092 1127472138 /nfs/dbraw/zinc/47/21/38/1127472138.db2.gz WKQHCPAWVUHCBF-CQSZACIVSA-N 0 1 285.387 3.789 20 30 CHEDMN C[C@H](CCC#N)N1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000595677448 1127473112 /nfs/dbraw/zinc/47/31/12/1127473112.db2.gz UUUDZXAOBCJBOL-HIFRSBDPSA-N 0 1 258.365 3.889 20 30 CHEDMN Cc1cc(C)c([C@@H](C)[N@H+]2CC[C@@](C)(C#N)C2)c(C)c1 ZINC000595839924 1127477491 /nfs/dbraw/zinc/47/74/91/1127477491.db2.gz KGZOQDPNVIVPAL-WBVHZDCISA-N 0 1 256.393 3.908 20 30 CHEDMN Cc1cc(C)c([C@@H](C)N2CC[C@@](C)(C#N)C2)c(C)c1 ZINC000595839924 1127477493 /nfs/dbraw/zinc/47/74/93/1127477493.db2.gz KGZOQDPNVIVPAL-WBVHZDCISA-N 0 1 256.393 3.908 20 30 CHEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccc([N+](=O)[O-])cc1Cl ZINC000595844265 1127478284 /nfs/dbraw/zinc/47/82/84/1127478284.db2.gz CRBAZABQWUPLNW-BETUJISGSA-N 0 1 292.766 3.931 20 30 CHEDMN CCSc1cccc(CN2CCC[C@@H](CC#N)C2)c1 ZINC000597175249 1127532782 /nfs/dbraw/zinc/53/27/82/1127532782.db2.gz ACPNERIBZMSQNW-AWEZNQCLSA-N 0 1 274.433 3.924 20 30 CHEDMN CC(C)c1ccc(CCN2CC[C@@](C)(C#N)C2)cc1 ZINC000597230663 1127534886 /nfs/dbraw/zinc/53/48/86/1127534886.db2.gz HRZZVDYXQLNASJ-KRWDZBQOSA-N 0 1 256.393 3.588 20 30 CHEDMN N#CCC1CN(Cc2ccc(C3CCCC3)cc2)C1 ZINC000597204190 1127534987 /nfs/dbraw/zinc/53/49/87/1127534987.db2.gz SPWUNANCKTZMCH-UHFFFAOYSA-N 0 1 254.377 3.690 20 30 CHEDMN N#CCC1CCN(Cc2cnc(C3CCCC3)s2)CC1 ZINC000543782154 1127549824 /nfs/dbraw/zinc/54/98/24/1127549824.db2.gz WPWADQIURUAJQA-UHFFFAOYSA-N 0 1 289.448 3.926 20 30 CHEDMN Cc1ccc2c(c1)CN(CCCOc1cccc(C#N)c1)C2 ZINC000361595671 1127575215 /nfs/dbraw/zinc/57/52/15/1127575215.db2.gz XBYYFNLVIDATLY-UHFFFAOYSA-N 0 1 292.382 3.651 20 30 CHEDMN CCC(CC)C[N@@H+](CCC#N)CC1(OC)CCCC1 ZINC000361568912 1127572702 /nfs/dbraw/zinc/57/27/02/1127572702.db2.gz YLOSQXRCKWEXKB-UHFFFAOYSA-N 0 1 266.429 3.597 20 30 CHEDMN C[C@H](CCC#N)CN1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000602443833 1127580081 /nfs/dbraw/zinc/58/00/81/1127580081.db2.gz WTBUSUVZOHBQCX-CJNGLKHVSA-N 0 1 292.810 3.653 20 30 CHEDMN CCc1cnccc1[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC000361772608 1127588679 /nfs/dbraw/zinc/58/86/79/1127588679.db2.gz YUOZYFFLHIQXAZ-GFCCVEGCSA-N 0 1 283.350 3.506 20 30 CHEDMN CC[C@@H](NCc1cccc(C#N)n1)c1cccc(Cl)c1 ZINC000602510752 1127589491 /nfs/dbraw/zinc/58/94/91/1127589491.db2.gz NBZSFPCMOSKKHY-MRXNPFEDSA-N 0 1 285.778 3.848 20 30 CHEDMN Cc1ncc([C@H](C)N(C)[C@H](C)c2cccc(C#N)c2)c(C)n1 ZINC000602691979 1127605097 /nfs/dbraw/zinc/60/50/97/1127605097.db2.gz JWQAWALLZYKOOO-KGLIPLIRSA-N 0 1 294.402 3.719 20 30 CHEDMN CCN(Cc1ccc(Cl)s1)CC1(CC#N)CC1 ZINC000602758376 1127612645 /nfs/dbraw/zinc/61/26/45/1127612645.db2.gz ZRANSQLOHAEGBT-UHFFFAOYSA-N 0 1 268.813 3.917 20 30 CHEDMN C=CCN(CCc1ccco1)Cc1cccc(C(C)=O)c1 ZINC000295052033 1127616467 /nfs/dbraw/zinc/61/64/67/1127616467.db2.gz UPZUFOQLRWYPQN-UHFFFAOYSA-N 0 1 283.371 3.713 20 30 CHEDMN N#CCC1(CN2CCC[C@@H]2Cc2cc(F)ccc2F)CC1 ZINC000602845113 1127617820 /nfs/dbraw/zinc/61/78/20/1127617820.db2.gz FDKWAWLTRPHBMN-OAHLLOKOSA-N 0 1 290.357 3.666 20 30 CHEDMN N#CCC1(CN2CCC[C@H]2Cc2cc(F)ccc2F)CC1 ZINC000602845112 1127617848 /nfs/dbraw/zinc/61/78/48/1127617848.db2.gz FDKWAWLTRPHBMN-HNNXBMFYSA-N 0 1 290.357 3.666 20 30 CHEDMN CSC1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000602920831 1127621250 /nfs/dbraw/zinc/62/12/50/1127621250.db2.gz REEQQXRRUJLQMK-UHFFFAOYSA-N 0 1 279.836 3.519 20 30 CHEDMN C=CCN(CCOc1ccccc1)Cc1cccs1 ZINC000060942740 1127623247 /nfs/dbraw/zinc/62/32/47/1127623247.db2.gz ZLAXKBCLBXHFSU-UHFFFAOYSA-N 0 1 273.401 3.815 20 30 CHEDMN CN(CCC#N)CCCCc1cccc(Cl)c1 ZINC000598593933 1127627279 /nfs/dbraw/zinc/62/72/79/1127627279.db2.gz YFHVCAJZYJBNLT-UHFFFAOYSA-N 0 1 250.773 3.508 20 30 CHEDMN Cc1ccc([C@@H](C)NCc2ccc(C)c(C#N)c2)o1 ZINC000599358595 1127670103 /nfs/dbraw/zinc/67/01/03/1127670103.db2.gz JLAGHSCBXNYAKO-CYBMUJFWSA-N 0 1 254.333 3.619 20 30 CHEDMN C[C@@H](NCc1ccccc1OC1CC1)c1ccc(C#N)cc1 ZINC000296419522 1127671588 /nfs/dbraw/zinc/67/15/88/1127671588.db2.gz XISYVYOYDWZDNB-CQSZACIVSA-N 0 1 292.382 3.950 20 30 CHEDMN CC(C)(C)OC(=O)[C@]1(C)CCCN1CCCC(C)(C)C#N ZINC000599495170 1127674544 /nfs/dbraw/zinc/67/45/44/1127674544.db2.gz NYKGETFTMKOREU-KRWDZBQOSA-N 0 1 294.439 3.513 20 30 CHEDMN C#Cc1ccc(CN[C@H](c2ccccc2)c2ccncc2)cc1 ZINC000367307328 1127752219 /nfs/dbraw/zinc/75/22/19/1127752219.db2.gz HDETZRLAFVYBTC-OAQYLSRUSA-N 0 1 298.389 3.942 20 30 CHEDMN N#Cc1ccc2c(c1)CN(C[C@@H]1C[C@H]1c1ccccc1)C2 ZINC000594028661 1127771825 /nfs/dbraw/zinc/77/18/25/1127771825.db2.gz SJXHHIXBQHRRDU-OALUTQOASA-N 0 1 274.367 3.678 20 30 CHEDMN N#Cc1ccc(CNC2(c3ccc(C#N)cc3)CCC2)s1 ZINC000594034462 1127776003 /nfs/dbraw/zinc/77/60/03/1127776003.db2.gz AXKSHHVFBUASAA-UHFFFAOYSA-N 0 1 293.395 3.660 20 30 CHEDMN CC#CCN(CCOC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000607727964 1127826189 /nfs/dbraw/zinc/82/61/89/1127826189.db2.gz LQHPYSYWDWJCHA-CYBMUJFWSA-N 0 1 299.336 3.738 20 30 CHEDMN C[C@H]1CCN(C[C@@H](C#N)CCC#N)CC12CCCCC2 ZINC000373410701 1127841061 /nfs/dbraw/zinc/84/10/61/1127841061.db2.gz AKEZDNIGIODSHJ-JKSUJKDBSA-N 0 1 273.424 3.722 20 30 CHEDMN CC[C@@H](C)[C@H](NCCC#N)c1ccc(Cl)cc1 ZINC000411476607 1127861951 /nfs/dbraw/zinc/86/19/51/1127861951.db2.gz UXXSAVLIWCHGKA-RISCZKNCSA-N 0 1 250.773 3.930 20 30 CHEDMN C=C(Br)CN[C@@H](C)c1cccc(C)c1 ZINC000088162306 1127903502 /nfs/dbraw/zinc/90/35/02/1127903502.db2.gz JMYNOFOPJJHSJQ-NSHDSACASA-N 0 1 254.171 3.554 20 30 CHEDMN C=C[C@@H](CC(=O)Nc1ccc2nc[nH]c2c1)c1ccccc1 ZINC000535340734 1127912974 /nfs/dbraw/zinc/91/29/74/1127912974.db2.gz OVIKLWVRNRRGQT-ZDUSSCGKSA-N 0 1 291.354 3.861 20 30 CHEDMN COc1cc(CN2C[C@@H](C)[C@H]2c2ccccc2)ccc1C#N ZINC000442890085 1127919080 /nfs/dbraw/zinc/91/90/80/1127919080.db2.gz MTWWKOUAYCUQJJ-KUHUBIRLSA-N 0 1 292.382 3.760 20 30 CHEDMN C=CCN(CCC#CC)Cc1ccc(Cl)s1 ZINC000462313371 1127925651 /nfs/dbraw/zinc/92/56/51/1127925651.db2.gz LOJOXPWEFLWPSN-UHFFFAOYSA-N 0 1 253.798 3.803 20 30 CHEDMN C[C@H](NCCF)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543873459 1127950158 /nfs/dbraw/zinc/95/01/58/1127950158.db2.gz XGHLHCWPGQZYDH-ZDUSSCGKSA-N 0 1 268.335 3.845 20 30 CHEDMN C=C(CC)CN(Cc1ccccc1OC)C[C@H]1CCCO1 ZINC000540194527 1127969234 /nfs/dbraw/zinc/96/92/34/1127969234.db2.gz PTKZWGYXIAMFNL-QGZVFWFLSA-N 0 1 289.419 3.642 20 30 CHEDMN C=C(CC)CN(C)Cc1cc(Cl)ccc1OC ZINC000540193459 1127969253 /nfs/dbraw/zinc/96/92/53/1127969253.db2.gz KKZREPPAMMBWBD-UHFFFAOYSA-N 0 1 253.773 3.747 20 30 CHEDMN C=CCCC[C@H](C)N1CCO[C@@H](c2ccccc2)C1 ZINC000540298121 1127972952 /nfs/dbraw/zinc/97/29/52/1127972952.db2.gz YZCNNFPBUOSAMU-DOTOQJQBSA-N 0 1 259.393 3.805 20 30 CHEDMN C=CC[C@@H](N[C@@H](C)c1cnc(C)s1)c1ccncc1 ZINC000761450911 1128015075 /nfs/dbraw/zinc/01/50/75/1128015075.db2.gz MESBUCHBHGQPIA-SMDDNHRTSA-N 0 1 273.405 3.815 20 30 CHEDMN N#Cc1ccc(F)cc1CN1CC[C@H](c2ccc(F)cc2)C1 ZINC000468943405 1128029225 /nfs/dbraw/zinc/02/92/25/1128029225.db2.gz KAAXUTHRCFBUKR-HNNXBMFYSA-N 0 1 298.336 3.826 20 30 CHEDMN C#C[C@H](N[C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cc1F ZINC000491325603 1128034259 /nfs/dbraw/zinc/03/42/59/1128034259.db2.gz 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QTZZPICJOXAEAR-YRGRVCCFSA-N 0 1 260.381 3.821 20 30 CHEDMN C=CC[N@H+](C)Cc1cc2oc3ccccc3c2cc1O ZINC000777544695 1128121417 /nfs/dbraw/zinc/12/14/17/1128121417.db2.gz QKNYHXMQUWZADY-UHFFFAOYSA-N 0 1 267.328 3.909 20 30 CHEDMN C=CC[N@@H+](C)Cc1cc2oc3ccccc3c2cc1[O-] ZINC000777544695 1128121420 /nfs/dbraw/zinc/12/14/20/1128121420.db2.gz QKNYHXMQUWZADY-UHFFFAOYSA-N 0 1 267.328 3.909 20 30 CHEDMN C=CC[N@H+](C)Cc1cc2oc3ccccc3c2cc1[O-] ZINC000777544695 1128121423 /nfs/dbraw/zinc/12/14/23/1128121423.db2.gz QKNYHXMQUWZADY-UHFFFAOYSA-N 0 1 267.328 3.909 20 30 CHEDMN Cc1csc([C@@H](N[C@@H](C)CC(C)(C)C#N)C2CC2)n1 ZINC000925145688 1128123585 /nfs/dbraw/zinc/12/35/85/1128123585.db2.gz CCHDFJMPRHHOJW-GWCFXTLKSA-N 0 1 277.437 3.821 20 30 CHEDMN C[C@H](CC(C)(C)C#N)N[C@@H]1COc2c1cccc2Cl ZINC000925518341 1128130740 /nfs/dbraw/zinc/13/07/40/1128130740.db2.gz OYZLMZJPCJHSKM-ZWNOBZJWSA-N 0 1 278.783 3.691 20 30 CHEDMN C=C(C)COCCN[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC000925532873 1128131211 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C[C@@H](NCC1(C#N)CCC1)c1cc2ccccc2[nH]1 ZINC000926623184 1119742587 /nfs/dbraw/zinc/74/25/87/1119742587.db2.gz BWUHGGVWGCUVJM-GFCCVEGCSA-N 0 1 253.349 3.512 20 30 CHEDMN C=CCCN[C@@H](C)c1ncc(C(F)(F)F)cc1Cl ZINC000926685030 1119807897 /nfs/dbraw/zinc/80/78/97/1119807897.db2.gz JYKODQITCRPFIR-QMMMGPOBSA-N 0 1 278.705 3.981 20 30 CHEDMN C[C@@H](NCc1ccc(C#N)cc1F)c1ccc(N(C)C)cc1 ZINC000177857328 1119873358 /nfs/dbraw/zinc/87/33/58/1119873358.db2.gz DEKCXKPVRVEUHE-CYBMUJFWSA-N 0 1 297.377 3.614 20 30 CHEDMN CCCCCCCCNCc1nn(C)cc1Cl ZINC000393278217 1119940136 /nfs/dbraw/zinc/94/01/36/1119940136.db2.gz DWRVISDUTOFKCY-UHFFFAOYSA-N 0 1 257.809 3.524 20 30 CHEDMN C[C@H](Nc1cnccc1/C=C/N(C)C)c1cccc(C#N)c1 ZINC001167709096 1120055767 /nfs/dbraw/zinc/05/57/67/1120055767.db2.gz KFEVIEQEGXVEII-PLWJUESGSA-N 0 1 292.386 3.659 20 30 CHEDMN Fc1cccc(N=NCc2cccc3cnccc32)c1F ZINC000782902413 1120064978 /nfs/dbraw/zinc/06/49/78/1120064978.db2.gz DKLSMWMIUYHODW-UHFFFAOYSA-N 0 1 283.281 3.959 20 30 CHEDMN C[C@H]1CC[C@@H](NCC2(C#N)CCC2)c2sccc21 ZINC000903035240 1120065530 /nfs/dbraw/zinc/06/55/30/1120065530.db2.gz MGSVZGQMDRIGGB-WCQYABFASA-N 0 1 260.406 3.970 20 30 CHEDMN C[C@@H]1CC[C@H](NCC2(C#N)CCC2)c2sccc21 ZINC000903035241 1120065764 /nfs/dbraw/zinc/06/57/64/1120065764.db2.gz MGSVZGQMDRIGGB-YPMHNXCESA-N 0 1 260.406 3.970 20 30 CHEDMN C#CC[C@@H](NCc1ccc(F)c(OC)c1)c1ccccc1 ZINC001116387192 1120108221 /nfs/dbraw/zinc/10/82/21/1120108221.db2.gz CNXXTBUIGWHQEQ-QGZVFWFLSA-N 0 1 283.346 3.689 20 30 CHEDMN C[C@H]([NH2+]CC(C)(C)C#N)c1ccc2ccccc2c1[O-] ZINC000122277294 1120112363 /nfs/dbraw/zinc/11/23/63/1120112363.db2.gz XMGLZYNERZMRMA-LBPRGKRZSA-N 0 1 268.360 3.746 20 30 CHEDMN C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000659802589 1120114521 /nfs/dbraw/zinc/11/45/21/1120114521.db2.gz ZTWZUYGRRMUKQL-RWMBFGLXSA-N 0 1 275.348 3.530 20 30 CHEDMN CC(C)Oc1ccc([C@H](C)NCc2ccc(C#N)cn2)cc1 ZINC000554075276 1120149724 /nfs/dbraw/zinc/14/97/24/1120149724.db2.gz VXWPORNSNLKHFD-AWEZNQCLSA-N 0 1 295.386 3.591 20 30 CHEDMN Cc1cc2[nH]ncc2cc1Nc1cccc(F)c1C#N ZINC000302705450 1120161004 /nfs/dbraw/zinc/16/10/04/1120161004.db2.gz JCJFLODWWWZFPT-UHFFFAOYSA-N 0 1 266.279 3.626 20 30 CHEDMN C[C@H](NCc1ccc(C#N)c(F)c1)c1ccccc1F ZINC000361836898 1120192402 /nfs/dbraw/zinc/19/24/02/1120192402.db2.gz IPNRQHWRWUEDMX-NSHDSACASA-N 0 1 272.298 3.687 20 30 CHEDMN N#Cc1cc(CN[C@@H]2CCCc3cc(F)ccc32)cs1 ZINC000921949475 1120300856 /nfs/dbraw/zinc/30/08/56/1120300856.db2.gz RFNOGECOWOADSI-MRXNPFEDSA-N 0 1 286.375 3.926 20 30 CHEDMN COc1ccccc1[C@@H]1CCCN1Cc1ccc(C#N)s1 ZINC000130943767 1120339424 /nfs/dbraw/zinc/33/94/24/1120339424.db2.gz SMLQPKUMSQQJBD-INIZCTEOSA-N 0 1 298.411 3.965 20 30 CHEDMN C=CCN(C)Cc1ccc(Cl)cc1C(F)(F)F ZINC001143506095 1120382489 /nfs/dbraw/zinc/38/24/89/1120382489.db2.gz XTTZQUWGMBSXBH-UHFFFAOYSA-N 0 1 263.690 3.977 20 30 CHEDMN C=CCOc1ccc(CN[C@H](C)c2c(C)noc2C)cc1 ZINC000078679866 1120399303 /nfs/dbraw/zinc/39/93/03/1120399303.db2.gz HYYSVKFLJKZWCP-GFCCVEGCSA-N 0 1 286.375 3.707 20 30 CHEDMN CC(C)C(=NNCCN1CCCCC1)C1CCCCC1 ZINC000733901421 1120418416 /nfs/dbraw/zinc/41/84/16/1120418416.db2.gz ODHGYJRVABOTCP-UHFFFAOYSA-N 0 1 279.472 3.654 20 30 CHEDMN C[C@@H](CSc1ccccc1)N(C)Cc1cncc(C#N)c1 ZINC000930845433 1120447377 /nfs/dbraw/zinc/44/73/77/1120447377.db2.gz HKSRYNLVPKZYIN-AWEZNQCLSA-N 0 1 297.427 3.566 20 30 CHEDMN CCc1ccc(C(C)=NN=c2[nH]c3ccccc3n2C)cc1 ZINC000728775760 1120453474 /nfs/dbraw/zinc/45/34/74/1120453474.db2.gz BKDOFHUVSPMSBC-UHFFFAOYSA-N 0 1 292.386 3.972 20 30 CHEDMN Cc1occc1CN(C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000092438575 1120479518 /nfs/dbraw/zinc/47/95/18/1120479518.db2.gz HULHVQZOCLKDND-CYBMUJFWSA-N 0 1 284.359 3.511 20 30 CHEDMN CC1(C)CN(Cc2cc(F)ccc2C#N)[C@@H]2CCC[C@@H]21 ZINC000378846673 1120530293 /nfs/dbraw/zinc/53/02/93/1120530293.db2.gz STQXWGHQSFBLEA-JKSUJKDBSA-N 0 1 272.367 3.708 20 30 CHEDMN N#Cc1csc(C[N@@H+](CCC(F)(F)F)CC2CC2)c1 ZINC000091901888 1120536231 /nfs/dbraw/zinc/53/62/31/1120536231.db2.gz LRXVAXXGYASUNK-UHFFFAOYSA-N 0 1 288.338 3.784 20 30 CHEDMN N#Cc1csc(CN(CCC(F)(F)F)CC2CC2)c1 ZINC000091901888 1120536235 /nfs/dbraw/zinc/53/62/35/1120536235.db2.gz LRXVAXXGYASUNK-UHFFFAOYSA-N 0 1 288.338 3.784 20 30 CHEDMN CCN(Cc1cc(C#N)cs1)Cc1ccc(OC)cc1 ZINC000154674537 1120554604 /nfs/dbraw/zinc/55/46/04/1120554604.db2.gz ZSFZRSURWRSBQW-UHFFFAOYSA-N 0 1 286.400 3.650 20 30 CHEDMN C=C(C)CCN1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000508992608 1120579459 /nfs/dbraw/zinc/57/94/59/1120579459.db2.gz WBBQVRWYZWWCIR-HNNXBMFYSA-N 0 1 297.345 3.628 20 30 CHEDMN Cc1ccc(CNCc2ccccc2OC(C)C)cc1C#N ZINC000922761073 1120592799 /nfs/dbraw/zinc/59/27/99/1120592799.db2.gz GDKGVVXVBZYKIU-UHFFFAOYSA-N 0 1 294.398 3.944 20 30 CHEDMN C=CCOCCN(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000338888598 1120620714 /nfs/dbraw/zinc/62/07/14/1120620714.db2.gz SUOGGTKCFTWQQI-XJKSGUPXSA-N 0 1 275.392 3.570 20 30 CHEDMN C=CC[C@H](NCc1scnc1C1CC1)c1ccncc1 ZINC000785471084 1120634046 /nfs/dbraw/zinc/63/40/46/1120634046.db2.gz UVKFQAADHKOQLO-AWEZNQCLSA-N 0 1 285.416 3.823 20 30 CHEDMN C[C@H]1CN(Cc2ccc(CC#N)cc2)Cc2ccccc2O1 ZINC000429159377 1120691457 /nfs/dbraw/zinc/69/14/57/1120691457.db2.gz LTKMIDLGVXOHPT-HNNXBMFYSA-N 0 1 292.382 3.536 20 30 CHEDMN Fc1ccc(C#CCN2CCC(c3ccco3)CC2)cc1 ZINC000661162229 1120730231 /nfs/dbraw/zinc/73/02/31/1120730231.db2.gz MFVXCUFKJIAZBI-UHFFFAOYSA-N 0 1 283.346 3.650 20 30 CHEDMN N#C[C@H]1CCN(CC(c2ccccc2)c2ccccc2)C1 ZINC001207526954 1120733077 /nfs/dbraw/zinc/73/30/77/1120733077.db2.gz SHFGULPOPUTWDO-MRXNPFEDSA-N 0 1 276.383 3.664 20 30 CHEDMN C=CC[C@H]1CCC[N@H+](Cc2ccc(Cl)cn2)C1 ZINC000661380319 1120759776 /nfs/dbraw/zinc/75/97/76/1120759776.db2.gz FOEHYPYUURCDKQ-LBPRGKRZSA-N 0 1 250.773 3.523 20 30 CHEDMN C=CC[C@@H]1CCC[N@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC000661378524 1120760011 /nfs/dbraw/zinc/76/00/11/1120760011.db2.gz IFLBSEYCVCTNJN-CYBMUJFWSA-N 0 1 262.397 3.760 20 30 CHEDMN C=CC[C@@H]1CCCN(Cc2ncc(C(C)(C)C)o2)C1 ZINC000661378524 1120760016 /nfs/dbraw/zinc/76/00/16/1120760016.db2.gz IFLBSEYCVCTNJN-CYBMUJFWSA-N 0 1 262.397 3.760 20 30 CHEDMN C=CCC[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000661543244 1120777115 /nfs/dbraw/zinc/77/71/15/1120777115.db2.gz DMMHXBXITJRZAD-UHFFFAOYSA-N 0 1 270.401 3.744 20 30 CHEDMN C=CCN(CC(=O)Nc1ccc(SC)cc1)C(C)(C)C ZINC000661760745 1120811675 /nfs/dbraw/zinc/81/16/75/1120811675.db2.gz YWSBUOVLOVVPMD-UHFFFAOYSA-N 0 1 292.448 3.634 20 30 CHEDMN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccccc1C(C)C ZINC000662082804 1120872453 /nfs/dbraw/zinc/87/24/53/1120872453.db2.gz YAYNWZSRVUDOMT-IYBDPMFKSA-N 0 1 298.430 3.932 20 30 CHEDMN N#Cc1ccc(CN2CCCCCC2)c(C(F)(F)F)c1 ZINC000260852835 1120943732 /nfs/dbraw/zinc/94/37/32/1120943732.db2.gz USKIJABEWIQRGE-UHFFFAOYSA-N 0 1 282.309 3.953 20 30 CHEDMN N#Cc1ccc2c(c1)[C@@H](NC1(c3ccccc3F)CC1)CC2 ZINC000584690460 1120992617 /nfs/dbraw/zinc/99/26/17/1120992617.db2.gz MEWRZJJNQDYUNP-SFHVURJKSA-N 0 1 292.357 3.964 20 30 CHEDMN C=CCN(CCc1ccccc1)Cc1cnc(CC)s1 ZINC000512031807 1121020880 /nfs/dbraw/zinc/02/08/80/1121020880.db2.gz RBWLJEHUPUOMFR-UHFFFAOYSA-N 0 1 286.444 3.936 20 30 CHEDMN C=C(CC)CN1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000773427293 1121100382 /nfs/dbraw/zinc/10/03/82/1121100382.db2.gz FXUMMRYCOVIZIY-HLLBOEOZSA-N 0 1 259.393 3.803 20 30 CHEDMN Clc1ccc(C#CCN2CC[C@@H](c3ccco3)C2)cc1 ZINC000674250631 1121106210 /nfs/dbraw/zinc/10/62/10/1121106210.db2.gz CVJQSAXVJIJBFR-OAHLLOKOSA-N 0 1 285.774 3.774 20 30 CHEDMN C=C(C)CN(Cc1ccc(CO)o1)[C@@H](C)c1ccccc1 ZINC000512171396 1121137927 /nfs/dbraw/zinc/13/79/27/1121137927.db2.gz XKJQJXYQNOKYFK-HNNXBMFYSA-N 0 1 285.387 3.911 20 30 CHEDMN C[C@@H](NCc1cc(O)cc(Cl)c1)c1ccc(C#N)cc1 ZINC001648945694 1121197800 /nfs/dbraw/zinc/19/78/00/1121197800.db2.gz CJMQIYLBNQRGIR-LLVKDONJSA-N 0 1 286.762 3.768 20 30 CHEDMN C[C@@H](NCc1ccc(C#N)c(F)c1)c1ccc(F)c(F)c1 ZINC000192147454 1128972864 /nfs/dbraw/zinc/97/28/64/1128972864.db2.gz ZAJFRRPUNSVCLW-SNVBAGLBSA-N 0 1 290.288 3.826 20 30 CHEDMN C#CCCN1CCC[C@@H]1c1ccc(Br)cc1C ZINC001175260198 1121265187 /nfs/dbraw/zinc/26/51/87/1121265187.db2.gz NGZLSLQQVFITNW-OAHLLOKOSA-N 0 1 292.220 3.918 20 30 CHEDMN C[C@H](O/C(=N\O)c1ccc(Cl)cc1)c1cccnc1 ZINC001223594676 1121265868 /nfs/dbraw/zinc/26/58/68/1121265868.db2.gz AQVGLHYIVRMMPZ-PXAAABLISA-N 0 1 276.723 3.649 20 30 CHEDMN C=C1C[C@H]2CC[C@@H](C1)N2[C@@H](C)c1nc(CCCC)no1 ZINC000662080667 1121284562 /nfs/dbraw/zinc/28/45/62/1121284562.db2.gz PWYBWAXRZJCVDH-MELADBBJSA-N 0 1 275.396 3.656 20 30 CHEDMN C=CC[C@H](CO)Nc1cc(C)nc2c(C)cc(Cl)cc12 ZINC000512437313 1121342406 /nfs/dbraw/zinc/34/24/06/1121342406.db2.gz RSFFAIAZFCEHHA-CYBMUJFWSA-N 0 1 290.794 3.854 20 30 CHEDMN CN(CCc1ccc(F)cc1)Cc1cccc(C#N)c1F ZINC000512451352 1121354767 /nfs/dbraw/zinc/35/47/67/1121354767.db2.gz YXSLFWPQSVYBKT-UHFFFAOYSA-N 0 1 286.325 3.511 20 30 CHEDMN Cc1ccc2[nH]ncc2c1Nc1c(C)cccc1C#N ZINC001175525422 1121364840 /nfs/dbraw/zinc/36/48/40/1121364840.db2.gz BFEHEKOOQQAIFF-UHFFFAOYSA-N 0 1 262.316 3.795 20 30 CHEDMN Cc1ccc2[nH]ncc2c1Nc1ccccc1CC#N ZINC001175526704 1121368469 /nfs/dbraw/zinc/36/84/69/1121368469.db2.gz PNWNAOYPOSYRNH-UHFFFAOYSA-N 0 1 262.316 3.681 20 30 CHEDMN Cc1ccc2[nH]ncc2c1Nc1cccc(CC#N)c1 ZINC001175527864 1121370789 /nfs/dbraw/zinc/37/07/89/1121370789.db2.gz ZRHTUAQMADARAD-UHFFFAOYSA-N 0 1 262.316 3.681 20 30 CHEDMN N#CC(C(=O)c1ccc(-c2ccco2)s1)c1ccccn1 ZINC000675906465 1121386258 /nfs/dbraw/zinc/38/62/58/1121386258.db2.gz DWIRQPKFSZJMIM-NSHDSACASA-N 0 1 294.335 3.893 20 30 CHEDMN CC(C)(C)C=CNc1ncc(C#N)cc1Br ZINC001175569812 1121392241 /nfs/dbraw/zinc/39/22/41/1121392241.db2.gz ZFYWDLBTXLZRPY-SNAWJCMRSA-N 0 1 280.169 3.687 20 30 CHEDMN CC[C@H](CC#N)NCCc1ccc(Cl)cc1Cl ZINC000036679478 1121410431 /nfs/dbraw/zinc/41/04/31/1121410431.db2.gz QSUAJFJOTUJPDQ-GFCCVEGCSA-N 0 1 271.191 3.818 20 30 CHEDMN N#Cc1ncc(Br)cc1NC1=CCCCC1 ZINC001175752406 1121440041 /nfs/dbraw/zinc/44/00/41/1121440041.db2.gz OLTBBTIEWFQTIQ-UHFFFAOYSA-N 0 1 278.153 3.586 20 30 CHEDMN 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/nfs/dbraw/zinc/23/20/24/1118232024.db2.gz IUSRKURJSNVXJI-LBPRGKRZSA-N 0 1 286.400 3.869 20 30 CHEDMN CC(C)CCN(C)Cc1ccc(Br)cc1C#N ZINC000310310995 1118326497 /nfs/dbraw/zinc/32/64/97/1118326497.db2.gz TYRSOFFGAKUGSQ-UHFFFAOYSA-N 0 1 295.224 3.799 20 30 CHEDMN C=C(Br)CN(C)[C@H]1CC[C@@H](SCC)C1 ZINC000076069752 1128768370 /nfs/dbraw/zinc/76/83/70/1128768370.db2.gz LPPCMBUHNGBKSY-WDEREUQCSA-N 0 1 278.259 3.501 20 30 CHEDMN Cc1cc(C#N)ccc1CN1CCC[C@H](C(F)(F)F)C1 ZINC000165489547 1118338966 /nfs/dbraw/zinc/33/89/66/1118338966.db2.gz NRISCCVSUVWPOX-AWEZNQCLSA-N 0 1 282.309 3.641 20 30 CHEDMN O=C(C=Cc1c[nH]c(-c2ccccc2)n1)c1ccccc1O ZINC000255160101 1118350841 /nfs/dbraw/zinc/35/08/41/1118350841.db2.gz COAPLJZTOGDXHM-KHPPLWFESA-N 0 1 290.322 3.678 20 30 CHEDMN Cc1cc(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)cs1 ZINC000671767051 1118363103 /nfs/dbraw/zinc/36/31/03/1118363103.db2.gz WVDBLEBKUBGJPA-LBPRGKRZSA-N 0 1 295.367 3.731 20 30 CHEDMN CC(C)(C#N)CCCCN1CCS[C@H](C(F)(F)F)C1 ZINC000721442681 1118459360 /nfs/dbraw/zinc/45/93/60/1118459360.db2.gz UKJOGUWNVAQWLX-NSHDSACASA-N 0 1 294.386 3.686 20 30 CHEDMN Cc1ccccc1[C@@H](NCc1cccc(C#N)n1)C1CC1 ZINC000602544271 1118558748 /nfs/dbraw/zinc/55/87/48/1118558748.db2.gz HEEMPKRKEICHBW-SFHVURJKSA-N 0 1 277.371 3.503 20 30 CHEDMN Cc1ccc(CN(C)Cc2ccc(O[C@@H](C)C#N)cc2)o1 ZINC000160853531 1118562421 /nfs/dbraw/zinc/56/24/21/1118562421.db2.gz KBJRCNHBJYACKK-AWEZNQCLSA-N 0 1 284.359 3.511 20 30 CHEDMN CCCCC[C@H](NC)c1nc(-c2ccc(C#N)c(C)c2)no1 ZINC001212281333 1128786132 /nfs/dbraw/zinc/78/61/32/1128786132.db2.gz SVYLGAYUPFHBFI-HNNXBMFYSA-N 0 1 298.390 3.758 20 30 CHEDMN CSc1ccc([C@@H](C)NCc2ccc(C#N)o2)cc1 ZINC000135141485 1118575101 /nfs/dbraw/zinc/57/51/01/1118575101.db2.gz MJROOLGBPGFCRQ-LLVKDONJSA-N 0 1 272.373 3.724 20 30 CHEDMN C#CCC1(N[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)CCC1 ZINC000933304453 1118618258 /nfs/dbraw/zinc/61/82/58/1118618258.db2.gz MOMRPGVUVWYMCR-AWEZNQCLSA-N 0 1 295.386 3.642 20 30 CHEDMN CN(C)[C@H](CNc1ccc(Cl)cc1C#N)c1ccco1 ZINC000068658548 1128789934 /nfs/dbraw/zinc/78/99/34/1128789934.db2.gz AHQODKOUJDPJRA-CQSZACIVSA-N 0 1 289.766 3.519 20 30 CHEDMN O=C(/C=C\c1cc(F)c(O)c(F)c1)c1ccccc1F ZINC000255330975 1118641104 /nfs/dbraw/zinc/64/11/04/1118641104.db2.gz URBPJJUQFDQCLI-WAYWQWQTSA-N 0 1 278.229 3.706 20 30 CHEDMN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccccn1 ZINC000335844730 1118648736 /nfs/dbraw/zinc/64/87/36/1118648736.db2.gz SNZJFVGGTLPZHP-UGSOOPFHSA-N 0 1 277.371 3.681 20 30 CHEDMN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccncc1F ZINC000335858168 1118652383 /nfs/dbraw/zinc/65/23/83/1118652383.db2.gz FBVSDUAVAWBKLP-SGTLLEGYSA-N 0 1 295.361 3.821 20 30 CHEDMN Cc1ccc(C(=O)/C=C\c2cc(F)c(O)c(F)c2)cc1 ZINC000255357354 1118663775 /nfs/dbraw/zinc/66/37/75/1118663775.db2.gz ATTVRXNMHWGNNG-DAXSKMNVSA-N 0 1 274.266 3.875 20 30 CHEDMN CCOc1cccc(C[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000127289485 1118692348 /nfs/dbraw/zinc/69/23/48/1118692348.db2.gz WFZWGDYPOQOEOU-UHFFFAOYSA-N 0 1 280.371 3.589 20 30 CHEDMN C=CCN(CCOc1cccc(C#N)c1)Cc1cccs1 ZINC000051262534 1118709764 /nfs/dbraw/zinc/70/97/64/1118709764.db2.gz BVZXEXCNDZGUPM-UHFFFAOYSA-N 0 1 298.411 3.687 20 30 CHEDMN COc1ccc([C@H](C)N(C)Cc2csc(C#N)c2)cc1 ZINC000891568526 1118712564 /nfs/dbraw/zinc/71/25/64/1118712564.db2.gz WWSFYEJWILPZJM-LBPRGKRZSA-N 0 1 286.400 3.821 20 30 CHEDMN N#Cc1cc(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)cs1 ZINC000891919034 1118846065 /nfs/dbraw/zinc/84/60/65/1118846065.db2.gz SGPGERGHGOQEQL-QGZVFWFLSA-N 0 1 298.411 3.583 20 30 CHEDMN N#Cc1cc(CN2CCCO[C@@H](c3ccccc3)C2)cs1 ZINC000891919034 1118846068 /nfs/dbraw/zinc/84/60/68/1118846068.db2.gz SGPGERGHGOQEQL-QGZVFWFLSA-N 0 1 298.411 3.583 20 30 CHEDMN CCN(Cc1ccnc(C#N)c1)[C@@H](C)c1ccc(F)cc1 ZINC000610991217 1118917835 /nfs/dbraw/zinc/91/78/35/1118917835.db2.gz AJCMOEUUVBXRFF-ZDUSSCGKSA-N 0 1 283.350 3.675 20 30 CHEDMN Cc1ccc([C@H]2CCCCCN2Cc2ccnc(C#N)c2)o1 ZINC000610993559 1118918687 /nfs/dbraw/zinc/91/86/87/1118918687.db2.gz XLLZTJOAEVTENZ-QGZVFWFLSA-N 0 1 295.386 3.972 20 30 CHEDMN C[C@@H](c1ccccc1)N(Cc1ccnc(C#N)c1)C1CC1 ZINC000610993463 1118919437 /nfs/dbraw/zinc/91/94/37/1118919437.db2.gz PEMGJNABDZQONG-AWEZNQCLSA-N 0 1 277.371 3.679 20 30 CHEDMN C[C@@H]1C[C@@H](c2cccc(F)c2)N(Cc2ccnc(C#N)c2)C1 ZINC000610994039 1118919002 /nfs/dbraw/zinc/91/90/02/1118919002.db2.gz RZLZKFFFRXECGQ-ACJLOTCBSA-N 0 1 295.361 3.675 20 30 CHEDMN O=C(/C=C/C=C\c1ccccc1)c1ccc(O)c(F)c1 ZINC000728439170 1118947382 /nfs/dbraw/zinc/94/73/82/1118947382.db2.gz WENJNJIGLUGBRR-MVTUOISNSA-N 0 1 268.287 3.984 20 30 CHEDMN C=CCN(C(=O)c1ccc(CN(CC)CC)o1)C(C)(C)C ZINC000622943882 1119023535 /nfs/dbraw/zinc/02/35/35/1119023535.db2.gz VMEFUCXKQPKURR-UHFFFAOYSA-N 0 1 292.423 3.548 20 30 CHEDMN COc1ccc(CN2CCC[C@@H]2c2ccsc2)cc1C#N ZINC000134986035 1119024708 /nfs/dbraw/zinc/02/47/08/1119024708.db2.gz DZVOECOMBWOXBW-MRXNPFEDSA-N 0 1 298.411 3.965 20 30 CHEDMN CCCC1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC001167554985 1119034094 /nfs/dbraw/zinc/03/40/94/1119034094.db2.gz WQLSLWFNUWUEDC-UHFFFAOYSA-N 0 1 259.368 3.689 20 30 CHEDMN C=CC[C@@H]1CCN1Cc1cccc(C(=O)C(F)(F)F)c1 ZINC000934460825 1119076978 /nfs/dbraw/zinc/07/69/78/1119076978.db2.gz RYKKEOOMMUAACU-CYBMUJFWSA-N 0 1 283.293 3.582 20 30 CHEDMN C=C(C)[C@H](N[C@@H]1CO[C@@H](CC)C1)c1ccc(F)c(F)c1 ZINC000657436342 1119087081 /nfs/dbraw/zinc/08/70/81/1119087081.db2.gz KGAQUTIBAOMERT-XEZPLFJOSA-N 0 1 281.346 3.739 20 30 CHEDMN N#Cc1cccc(CN2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000039199294 1119113282 /nfs/dbraw/zinc/11/32/82/1119113282.db2.gz PNMMJDJHSWSPLL-UHFFFAOYSA-N 0 1 292.357 3.987 20 30 CHEDMN O=C(/C=C\c1cc(F)cc(F)c1)c1ccc(O)c(F)c1 ZINC000255513422 1119114655 /nfs/dbraw/zinc/11/46/55/1119114655.db2.gz QMHPSORHHYEIJV-IWQZZHSRSA-N 0 1 278.229 3.706 20 30 CHEDMN CC(C)c1ccc(C(=O)C(C#N)c2ccncn2)cc1Cl ZINC000342706619 1119133476 /nfs/dbraw/zinc/13/34/76/1119133476.db2.gz VOUHFYLXPPPEEU-ZDUSSCGKSA-N 0 1 299.761 3.743 20 30 CHEDMN COc1ccc(CN2CCc3ccccc3[C@@H]2C)cc1C#N ZINC000340155691 1119145630 /nfs/dbraw/zinc/14/56/30/1119145630.db2.gz ZXEFSHRNHXOCKL-AWEZNQCLSA-N 0 1 292.382 3.686 20 30 CHEDMN C=CCCN(C)Cc1csc(-c2ccsc2)n1 ZINC000342736374 1119148123 /nfs/dbraw/zinc/14/81/23/1119148123.db2.gz PWJLVONMKYLLKF-UHFFFAOYSA-N 0 1 264.419 3.880 20 30 CHEDMN N#CCC[C@H](C#N)CN[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000119901389 1119224293 /nfs/dbraw/zinc/22/42/93/1119224293.db2.gz COJYRIFFHXPTPT-CXAGYDPISA-N 0 1 285.366 3.700 20 30 CHEDMN N#CCC[C@H](C#N)CN[C@@H](c1ccccc1)C1CCC1 ZINC000119884598 1119224643 /nfs/dbraw/zinc/22/46/43/1119224643.db2.gz SKXTVXJMQOLVDK-PBHICJAKSA-N 0 1 267.376 3.561 20 30 CHEDMN C[C@H](c1ccccc1F)N(C)Cc1cccc(C#N)c1 ZINC000052073646 1119281729 /nfs/dbraw/zinc/28/17/29/1119281729.db2.gz RYIOFWKACYTEDD-CYBMUJFWSA-N 0 1 268.335 3.890 20 30 CHEDMN CC(C)c1ncc(CN[C@H](C)c2ccc(C#N)cc2)s1 ZINC000343189856 1119343988 /nfs/dbraw/zinc/34/39/88/1119343988.db2.gz CEPZNLZMDRYIRU-GFCCVEGCSA-N 0 1 285.416 3.989 20 30 CHEDMN CC(C)(C#N)CCN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000157444115 1119398027 /nfs/dbraw/zinc/39/80/27/1119398027.db2.gz FAAHXMNNQJQLLS-AWEZNQCLSA-N 0 1 292.448 3.669 20 30 CHEDMN C=CCN(Cc1ccc(C(C)C)nc1C)[C@@H](C)COC ZINC000661239312 1119410567 /nfs/dbraw/zinc/41/05/67/1119410567.db2.gz FJGQQZVSYZHFFM-AWEZNQCLSA-N 0 1 276.424 3.536 20 30 CHEDMN C=C(Br)CNCc1ccc(C2CC2)cc1 ZINC000168210207 1119425697 /nfs/dbraw/zinc/42/56/97/1119425697.db2.gz LQFPASURXGSMTC-UHFFFAOYSA-N 0 1 266.182 3.562 20 30 CHEDMN C=CCOc1cccc(NC(=O)c2cn[nH]c2C(C)(C)C)c1 ZINC000583919981 1119434492 /nfs/dbraw/zinc/43/44/92/1119434492.db2.gz WPCRBZMMJHLRON-UHFFFAOYSA-N 0 1 299.374 3.524 20 30 CHEDMN C=CC[N@@H+](Cc1cccs1)C[C@@H](O)c1ccccc1C ZINC000158523075 1119454534 /nfs/dbraw/zinc/45/45/34/1119454534.db2.gz UOBOWSJZZFUNHW-QGZVFWFLSA-N 0 1 287.428 3.778 20 30 CHEDMN C[C@@H](NCC1(C#N)CC1)c1ccc2c(c1)CCCC2 ZINC000343582916 1119461296 /nfs/dbraw/zinc/46/12/96/1119461296.db2.gz QTRBGKHJZOZCKN-CYBMUJFWSA-N 0 1 254.377 3.520 20 30 CHEDMN CCC[N@@H+](Cc1ccc(C#N)cn1)[C@@H]1CCc2ccccc21 ZINC000584061469 1119469567 /nfs/dbraw/zinc/46/95/67/1119469567.db2.gz MFUGYRAOMZWUNO-LJQANCHMSA-N 0 1 291.398 3.853 20 30 CHEDMN CC(C)(CC(=O)Nc1cc(C#N)ccc1O)c1ccccc1 ZINC000176833636 1119520550 /nfs/dbraw/zinc/52/05/50/1119520550.db2.gz KNXZCCYHPMLDGP-UHFFFAOYSA-N 0 1 294.354 3.570 20 30 CHEDMN C=CC[C@@H]1CCN(Cc2nc3ccc(Cl)cc3n2C)C1 ZINC000628405059 1128856656 /nfs/dbraw/zinc/85/66/56/1128856656.db2.gz CEPLTUUTDRPSHJ-GFCCVEGCSA-N 0 1 289.810 3.625 20 30 CHEDMN C=C(Br)CN[C@@H](C)c1ccc2ncsc2c1 ZINC000309772309 1119663868 /nfs/dbraw/zinc/66/38/68/1119663868.db2.gz KSPQKDWGOANRPT-VIFPVBQESA-N 0 1 297.221 3.856 20 30 CHEDMN CC(C)[C@@H](C(=O)Nc1cc(C#N)ccc1O)c1ccccc1 ZINC000179731339 1119758545 /nfs/dbraw/zinc/75/85/45/1119758545.db2.gz IGRNMJYAFBDGLF-QGZVFWFLSA-N 0 1 294.354 3.642 20 30 CHEDMN CC[C@@H](NCc1ccnc(C#N)c1)c1ccc(Cl)s1 ZINC000612477773 1119791363 /nfs/dbraw/zinc/79/13/63/1119791363.db2.gz ZIMHICZOPKRMEY-GFCCVEGCSA-N 0 1 291.807 3.909 20 30 CHEDMN C=CC[C@@H]1CCCN([C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000661378930 1119857837 /nfs/dbraw/zinc/85/78/37/1119857837.db2.gz ORHZQFIFMWSRAS-QWHCGFSZSA-N 0 1 277.412 3.716 20 30 CHEDMN C[C@@H](NCC(C)(C)CC#N)c1cc(F)ccc1F ZINC000414163911 1119922370 /nfs/dbraw/zinc/92/23/70/1119922370.db2.gz JLYRFHQDOLGXMJ-SNVBAGLBSA-N 0 1 252.308 3.555 20 30 CHEDMN Cc1[nH]ncc1[C@H](C)Nc1cccc(OCCCC#N)c1 ZINC000181082234 1120027410 /nfs/dbraw/zinc/02/74/10/1120027410.db2.gz CWWNUKJDQBHLFL-LBPRGKRZSA-N 0 1 284.363 3.574 20 30 CHEDMN C[C@H](Nc1cc(OCC2CC2)ccn1)c1cccc(C#N)c1 ZINC001167707372 1120040576 /nfs/dbraw/zinc/04/05/76/1120040576.db2.gz SDVMLSOLUZUKEL-ZDUSSCGKSA-N 0 1 293.370 3.915 20 30 CHEDMN O/N=C/c1cc(-c2ccoc2)cc(C(F)(F)F)c1 ZINC001239690757 1120072043 /nfs/dbraw/zinc/07/20/43/1120072043.db2.gz SRXYEVRHLZVJIB-OMCISZLKSA-N 0 1 255.195 3.774 20 30 CHEDMN Cc1c2nc[nH]c2ccc1N[C@@H](C)c1cccc(C#N)c1 ZINC001167710858 1120077467 /nfs/dbraw/zinc/07/74/67/1120077467.db2.gz XRBKLXTXNXRPEQ-LBPRGKRZSA-N 0 1 276.343 3.916 20 30 CHEDMN 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N#CC(C(=O)c1ccoc1C1CC1)c1nc(C2CC2)cs1 ZINC000647379339 1119712517 /nfs/dbraw/zinc/71/25/17/1119712517.db2.gz AKIKDDMMOVIQCO-GFCCVEGCSA-N 0 1 298.367 3.981 20 30 CHEDMN C[C@H](NCc1ccc(C#N)cc1)c1cccc(F)c1F ZINC000179912837 1119793714 /nfs/dbraw/zinc/79/37/14/1119793714.db2.gz WMMIOFWYINFLBG-NSHDSACASA-N 0 1 272.298 3.687 20 30 CHEDMN C=C(Br)CNCc1ccc(C)c(Cl)c1 ZINC000235770506 1119816007 /nfs/dbraw/zinc/81/60/07/1119816007.db2.gz YXXXKGRZXRYNTK-UHFFFAOYSA-N 0 1 274.589 3.647 20 30 CHEDMN Cc1ccc(CNCc2cccc(C#N)c2)c(Cl)c1 ZINC000235889331 1119831978 /nfs/dbraw/zinc/83/19/78/1119831978.db2.gz AIAGKQRCYKQNFQ-UHFFFAOYSA-N 0 1 270.763 3.810 20 30 CHEDMN C=CC[C@@H]1CCCN(Cc2cc(-c3ccco3)on2)C1 ZINC000661378246 1119854342 /nfs/dbraw/zinc/85/43/42/1119854342.db2.gz BCCFYLKOLUHYRV-CYBMUJFWSA-N 0 1 272.348 3.723 20 30 CHEDMN C=CC(C)(C)C(=O)N1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000658977676 1119982092 /nfs/dbraw/zinc/98/20/92/1119982092.db2.gz FVRFKXNPRRSTIW-HNNXBMFYSA-N 0 1 297.402 3.747 20 30 CHEDMN CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000131547312 1120021458 /nfs/dbraw/zinc/02/14/58/1120021458.db2.gz BENZZHVNDAOXPH-YXAMBPQSSA-N 0 1 298.386 3.503 20 30 CHEDMN Cc1cc(C#N)ccc1CNC1(c2cccc(F)c2)CC1 ZINC000186322460 1120023704 /nfs/dbraw/zinc/02/37/04/1120023704.db2.gz FTJRZQLMOSBVIZ-UHFFFAOYSA-N 0 1 280.346 3.785 20 30 CHEDMN C=CCCC(=O)O[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000073533724 1120026596 /nfs/dbraw/zinc/02/65/96/1120026596.db2.gz YDKYQFDWVHOXHD-SECBINFHSA-N 0 1 278.739 3.787 20 30 CHEDMN CC(C)(C)c1ccncc1CNCc1cc(C#N)cs1 ZINC000414503830 1120105950 /nfs/dbraw/zinc/10/59/50/1120105950.db2.gz WXFRASAVXQPIHK-UHFFFAOYSA-N 0 1 285.416 3.602 20 30 CHEDMN C=CCCC[C@@H](C)[N@H+]1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000659796535 1120112369 /nfs/dbraw/zinc/11/23/69/1120112369.db2.gz CYVYEGYMAKDRIV-OIISXLGYSA-N 0 1 287.403 3.531 20 30 CHEDMN CCCOc1ccc([C@H](C)NCC(C)(C)C#N)cc1 ZINC000122317695 1120134892 /nfs/dbraw/zinc/13/48/92/1120134892.db2.gz SANWMPORKYPIFE-ZDUSSCGKSA-N 0 1 260.381 3.676 20 30 CHEDMN Cc1noc(C)c1[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000091437151 1120171394 /nfs/dbraw/zinc/17/13/94/1120171394.db2.gz KYXUYIQCZMGMNI-WDEREUQCSA-N 0 1 269.348 3.575 20 30 CHEDMN CCN(CCCc1ccccc1Cl)C[C@@H](C)C#N ZINC000181649311 1128895894 /nfs/dbraw/zinc/89/58/94/1128895894.db2.gz HFVDVWKARBZVFJ-ZDUSSCGKSA-N 0 1 264.800 3.754 20 30 CHEDMN CC[C@H](NCc1cccc(C#N)c1F)c1ccc(OC)cc1 ZINC000341029466 1120176335 /nfs/dbraw/zinc/17/63/35/1120176335.db2.gz AUTNWYIJVGXACE-KRWDZBQOSA-N 0 1 298.361 3.947 20 30 CHEDMN CCCCN(CC)Cc1ccc(C#N)cc1Br ZINC000480764336 1120177526 /nfs/dbraw/zinc/17/75/26/1120177526.db2.gz PBBYZSYQDJFKMJ-UHFFFAOYSA-N 0 1 295.224 3.943 20 30 CHEDMN Cc1nc(C)c([C@H](C)NCc2ccc(C#N)c(F)c2)s1 ZINC000361753345 1120191752 /nfs/dbraw/zinc/19/17/52/1120191752.db2.gz IJLYZWMHNFECJT-VIFPVBQESA-N 0 1 289.379 3.622 20 30 CHEDMN Cc1cc(CNC2(c3cccc(C#N)c3)CC2)ccc1C#N ZINC000341215508 1120246780 /nfs/dbraw/zinc/24/67/80/1120246780.db2.gz TWXSQLVPVNSZHF-UHFFFAOYSA-N 0 1 287.366 3.517 20 30 CHEDMN CCC(CC)CN(CCC#N)Cc1cc(OC)ccc1O ZINC000180059565 1120263454 /nfs/dbraw/zinc/26/34/54/1120263454.db2.gz DKQNPJODUPYDDV-UHFFFAOYSA-N 0 1 290.407 3.553 20 30 CHEDMN CC[C@@H](C)C[C@H](C)Nc1c[nH]c2c(C#N)cnc-2c1 ZINC001168694441 1120275779 /nfs/dbraw/zinc/27/57/79/1120275779.db2.gz QGRXJEPUXLCOCI-MNOVXSKESA-N 0 1 256.353 3.671 20 30 CHEDMN Cc1csc(C(C#N)C(=O)c2cc(C)sc2C)n1 ZINC000041518783 1120281710 /nfs/dbraw/zinc/28/17/10/1120281710.db2.gz ANNZSJDZZSCYTJ-LLVKDONJSA-N 0 1 276.386 3.620 20 30 CHEDMN C#CC[C@@H](NCc1cnn(CC2CCC2)c1)c1ccccc1 ZINC000921933876 1120291593 /nfs/dbraw/zinc/29/15/93/1120291593.db2.gz AWVLQEVYJZZUFQ-LJQANCHMSA-N 0 1 293.414 3.537 20 30 CHEDMN C[C@H]1CN(Cc2ccc(F)cc2C#N)CC(C)(C)C1 ZINC000541327271 1120304970 /nfs/dbraw/zinc/30/49/70/1120304970.db2.gz XPRRBYZWZNRSAM-GFCCVEGCSA-N 0 1 260.356 3.565 20 30 CHEDMN N#C[C@H]1CC[C@@H](NCc2csc(Cl)c2Cl)C1 ZINC000309488209 1120307253 /nfs/dbraw/zinc/30/72/53/1120307253.db2.gz HJMBSISNYWRCQE-IONNQARKSA-N 0 1 275.204 3.837 20 30 CHEDMN C=C(C)CCN1CCCn2c(cc3ccccc32)C1 ZINC000672579211 1120328612 /nfs/dbraw/zinc/32/86/12/1120328612.db2.gz XOXBOLOGMJVOKK-UHFFFAOYSA-N 0 1 254.377 3.813 20 30 CHEDMN C=CCCC[C@@H](C(=O)O[C@@H](C)c1nnc[nH]1)c1ccccc1 ZINC000893247119 1120337627 /nfs/dbraw/zinc/33/76/27/1120337627.db2.gz IUGVWTZIVVYDEF-DZGCQCFKSA-N 0 1 299.374 3.549 20 30 CHEDMN COc1ccccc1[C@H]1CCCN1Cc1ccc(C#N)s1 ZINC000130943978 1120339561 /nfs/dbraw/zinc/33/95/61/1120339561.db2.gz SMLQPKUMSQQJBD-MRXNPFEDSA-N 0 1 298.411 3.965 20 30 CHEDMN CC(C)(NCc1cc(C#N)ccc1F)c1ccccc1 ZINC000312374135 1120359562 /nfs/dbraw/zinc/35/95/62/1120359562.db2.gz IRMJDVBKKUHJKI-UHFFFAOYSA-N 0 1 268.335 3.722 20 30 CHEDMN CCN(Cc1ccc(Cl)cc1)Cc1ccc(C#N)cn1 ZINC000566417916 1120403530 /nfs/dbraw/zinc/40/35/30/1120403530.db2.gz VYXXAAKZJZAURI-UHFFFAOYSA-N 0 1 285.778 3.629 20 30 CHEDMN C[C@@H](N[C@H](CCC#N)c1ccccc1)C1(Cl)CC1 ZINC000925601774 1120442067 /nfs/dbraw/zinc/44/20/67/1120442067.db2.gz OPCBZIPALCJWPA-TZMCWYRMSA-N 0 1 262.784 3.781 20 30 CHEDMN C[C@@H](c1ccccc1F)N(C)CCOc1ccccc1C#N ZINC000315372837 1120456768 /nfs/dbraw/zinc/45/67/68/1120456768.db2.gz CAJZQDKVYNAHOG-AWEZNQCLSA-N 0 1 298.361 3.769 20 30 CHEDMN C[C@@H](CC(C)(C)C#N)NCc1ccccc1Br ZINC000695862794 1120534235 /nfs/dbraw/zinc/53/42/35/1120534235.db2.gz GSWLVZYYHIUAEX-NSHDSACASA-N 0 1 295.224 3.867 20 30 CHEDMN N#Cc1ccc2nc(-c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1 ZINC000123217981 1120537179 /nfs/dbraw/zinc/53/71/79/1120537179.db2.gz YKFNYGFDZNJTMG-UHFFFAOYSA-N 0 1 298.689 3.663 20 30 CHEDMN Cc1noc(C)c1[C@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000092326832 1120540958 /nfs/dbraw/zinc/54/09/58/1120540958.db2.gz HBHOMVPCKMVVSW-QWRGUYRKSA-N 0 1 269.348 3.575 20 30 CHEDMN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(F)cn1 ZINC000092765989 1120567637 /nfs/dbraw/zinc/56/76/37/1120567637.db2.gz MPIDQOQCGNIAJS-NWDGAFQWSA-N 0 1 269.323 3.504 20 30 CHEDMN COc1ccc([C@H](C)NCc2csc(C#N)c2)cc1C ZINC000922673753 1120577903 /nfs/dbraw/zinc/57/79/03/1120577903.db2.gz BAXKXZLKAKLYKD-LBPRGKRZSA-N 0 1 286.400 3.788 20 30 CHEDMN C=CCOCCN(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000338888597 1120621090 /nfs/dbraw/zinc/62/10/90/1120621090.db2.gz SUOGGTKCFTWQQI-CZUORRHYSA-N 0 1 275.392 3.570 20 30 CHEDMN C=CC[C@H](C)NC(=O)c1ccc(Nc2ccncc2)cc1 ZINC000073769835 1120621973 /nfs/dbraw/zinc/62/19/73/1120621973.db2.gz VJXRPDIGZMBJOI-ZDUSSCGKSA-N 0 1 281.359 3.520 20 30 CHEDMN C=CC[C@H](N[C@H](C)c1ccc(C)o1)c1ccncc1 ZINC000766020926 1120665958 /nfs/dbraw/zinc/66/59/58/1120665958.db2.gz REFZYUATJROISQ-HIFRSBDPSA-N 0 1 256.349 3.951 20 30 CHEDMN CN(Cc1ccc(C#N)cc1Cl)CC(C)(C)C ZINC000162895008 1120696300 /nfs/dbraw/zinc/69/63/00/1120696300.db2.gz NZAZQAYQKUEENZ-UHFFFAOYSA-N 0 1 250.773 3.690 20 30 CHEDMN N#Cc1ccc2c(c1)CC[C@@H]2NCc1cc(F)ccc1F ZINC000618742205 1128935963 /nfs/dbraw/zinc/93/59/63/1128935963.db2.gz KXTMTYPHYUIGGT-KRWDZBQOSA-N 0 1 284.309 3.614 20 30 CHEDMN C=CC[C@@H]1CC[C@H](NCc2nc(-c3ccccc3)no2)C1 ZINC000651763751 1120738462 /nfs/dbraw/zinc/73/84/62/1120738462.db2.gz LPVLLEFGIFMMII-HIFRSBDPSA-N 0 1 283.375 3.571 20 30 CHEDMN C=CC[C@H]1CC[C@H](NCc2cc(COC(C)(C)C)on2)C1 ZINC000651767140 1120739110 /nfs/dbraw/zinc/73/91/10/1120739110.db2.gz INDCMKZZOMDSRZ-KBPBESRZSA-N 0 1 292.423 3.824 20 30 CHEDMN C=CC[C@@H]1CC[C@@H](N[C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000651784670 1120743860 /nfs/dbraw/zinc/74/38/60/1120743860.db2.gz YTKOCDASXIQLJK-YNEHKIRRSA-N 0 1 277.412 3.763 20 30 CHEDMN C=CCN(CC(=O)Nc1sc(C)c(C)c1C)C(C)(C)C ZINC000661756210 1120808823 /nfs/dbraw/zinc/80/88/23/1120808823.db2.gz FRCUMKWLXJWRCI-UHFFFAOYSA-N 0 1 294.464 3.898 20 30 CHEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1nc(-c2ccccc2C)no1 ZINC000662078053 1120871329 /nfs/dbraw/zinc/87/13/29/1120871329.db2.gz HECWAJYLNMYRFX-GASCZTMLSA-N 0 1 295.386 3.728 20 30 CHEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1nc(-c2ccc(C)cc2)no1 ZINC000662081592 1120871455 /nfs/dbraw/zinc/87/14/55/1120871455.db2.gz VPBCKSBCPYUIOE-IYBDPMFKSA-N 0 1 295.386 3.728 20 30 CHEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ccn(-c2cccc(F)c2)n1 ZINC000662083856 1120871672 /nfs/dbraw/zinc/87/16/72/1120871672.db2.gz LIEURYUGVZWRKG-CALCHBBNSA-N 0 1 297.377 3.694 20 30 CHEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(-c2ccco2)on1 ZINC000662080722 1120871796 /nfs/dbraw/zinc/87/17/96/1120871796.db2.gz LYUAAPFDTMMEBD-OKILXGFUSA-N 0 1 270.332 3.618 20 30 CHEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1nc2c(cccc2F)n1CC ZINC000662087978 1120874003 /nfs/dbraw/zinc/87/40/03/1120874003.db2.gz RTLCLTNRAGHBGY-OKILXGFUSA-N 0 1 299.393 3.878 20 30 CHEDMN Oc1c(Cl)cc(Cl)cc1/C=N/Cc1cccnc1 ZINC000005227363 1120979311 /nfs/dbraw/zinc/97/93/11/1120979311.db2.gz LTINITLVJSPLAZ-CAOOACKPSA-N 0 1 281.142 3.713 20 30 CHEDMN C=C(C)Nc1nccc(C(F)(F)F)c1Br ZINC001174790189 1121031902 /nfs/dbraw/zinc/03/19/02/1121031902.db2.gz LYOOSMPYGCZNCQ-UHFFFAOYSA-N 0 1 281.075 3.808 20 30 CHEDMN C=CC[C@@H]1CCN(Cc2coc(-c3cccs3)n2)C1 ZINC000625703921 1121064229 /nfs/dbraw/zinc/06/42/29/1121064229.db2.gz PLYFPOALGLZBAZ-GFCCVEGCSA-N 0 1 274.389 3.801 20 30 CHEDMN Clc1ccc(C#CCN2CC[C@H](c3ccco3)C2)cc1 ZINC000674250630 1121106089 /nfs/dbraw/zinc/10/60/89/1121106089.db2.gz CVJQSAXVJIJBFR-HNNXBMFYSA-N 0 1 285.774 3.774 20 30 CHEDMN CC[C@@H](N[C@H](C)c1c(C)noc1C)c1ccc(C#N)cc1 ZINC000618567971 1121140318 /nfs/dbraw/zinc/14/03/18/1121140318.db2.gz BCUALCFULDZUGE-BDJLRTHQSA-N 0 1 283.375 3.965 20 30 CHEDMN COc1ccc([C@H](NCc2ccc(C#N)o2)C2CCC2)cc1 ZINC000922892489 1121141235 /nfs/dbraw/zinc/14/12/35/1121141235.db2.gz PVJKLSOYHOCCPH-GOSISDBHSA-N 0 1 296.370 3.791 20 30 CHEDMN COc1cc(C)c(Nc2cc(C#N)c(F)cc2O)cc1C ZINC001175116963 1121172071 /nfs/dbraw/zinc/17/20/71/1121172071.db2.gz VRXNRICDPPGBQG-UHFFFAOYSA-N 0 1 286.306 3.772 20 30 CHEDMN CC[C@@H](CC#N)NCc1ccc(OC)c2ccccc12 ZINC000094692410 1121220660 /nfs/dbraw/zinc/22/06/60/1121220660.db2.gz KBRSADPAMWBBFN-AWEZNQCLSA-N 0 1 268.360 3.630 20 30 CHEDMN N#Cc1cc(Nc2cc(Cl)ccc2F)c(O)cc1F ZINC001175303108 1121275336 /nfs/dbraw/zinc/27/53/36/1121275336.db2.gz XCHSPBCYWRECMO-UHFFFAOYSA-N 0 1 280.661 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CHEDMN C[C@@H](c1ccc2c(c1)CCC2)N1CCC(F)(C#N)CC1 ZINC000459469333 331283329 /nfs/dbraw/zinc/28/33/29/331283329.db2.gz RUEYBARURROTAZ-ZDUSSCGKSA-N 0 1 272.367 3.564 20 30 CHEDMN C=CCC[C@H](O)CN1Cc2ccccc2-c2ccccc2C1 ZINC000472680005 331541279 /nfs/dbraw/zinc/54/12/79/331541279.db2.gz USROIDWSFCFEIY-SFHVURJKSA-N 0 1 293.410 3.996 20 30 CHEDMN Cc1cc(CN(C)Cc2cc(F)cc(F)c2)ccc1C#N ZINC000489034994 332038638 /nfs/dbraw/zinc/03/86/38/332038638.db2.gz GEXTZJXXNXFFNA-UHFFFAOYSA-N 0 1 286.325 3.777 20 30 CHEDMN COc1cc(C#N)ccc1CNC(C)(C)c1ccccc1 ZINC000501200682 332628352 /nfs/dbraw/zinc/62/83/52/332628352.db2.gz AOVPMOQHVLRXOQ-UHFFFAOYSA-N 0 1 280.371 3.592 20 30 CHEDMN C=CCN(CC=C)Cc1ccc(OC)c(OCC(=C)C)c1 ZINC000505881107 332756332 /nfs/dbraw/zinc/75/63/32/332756332.db2.gz FINKYNHMNKMKKN-UHFFFAOYSA-N 0 1 287.403 3.824 20 30 CHEDMN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc(C#N)cc1F ZINC000512629984 332976634 /nfs/dbraw/zinc/97/66/34/332976634.db2.gz KZRBFOCWTFLRRA-QWHCGFSZSA-N 0 1 293.345 3.981 20 30 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Cc1csc(C(C#N)C(=O)c2c(C)oc3ccccc32)n1 ZINC000186186647 333156532 /nfs/dbraw/zinc/15/65/32/333156532.db2.gz NVBSMRHCOMCWBH-GFCCVEGCSA-N 0 1 296.351 3.996 20 30 CHEDMN C=CC[C@H](C)[C@H](C)N[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000191571666 333221662 /nfs/dbraw/zinc/22/16/62/333221662.db2.gz BXSVNCSJYVOAEC-SRVKXCTJSA-N 0 1 265.401 3.618 20 30 CHEDMN C[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000191804409 333225646 /nfs/dbraw/zinc/22/56/46/333225646.db2.gz VZMULUXKCVVWHE-WDEREUQCSA-N 0 1 293.208 3.551 20 30 CHEDMN C[C@@H]1[C@@H](C)CCN1Cc1cc(C#N)ccc1Br ZINC000191804409 333225648 /nfs/dbraw/zinc/22/56/48/333225648.db2.gz VZMULUXKCVVWHE-WDEREUQCSA-N 0 1 293.208 3.551 20 30 CHEDMN C[C@@H](c1cccs1)[N@@H+](C)CC#Cc1ccccc1 ZINC000191946886 333227515 /nfs/dbraw/zinc/22/75/15/333227515.db2.gz MLRBFSAVNGPAGG-AWEZNQCLSA-N 0 1 255.386 3.793 20 30 CHEDMN C[C@@H](c1cccs1)N(C)CC#Cc1ccccc1 ZINC000191946886 333227516 /nfs/dbraw/zinc/22/75/16/333227516.db2.gz MLRBFSAVNGPAGG-AWEZNQCLSA-N 0 1 255.386 3.793 20 30 CHEDMN Oc1cccc(CN(CC#Cc2ccccc2)CC2CC2)c1 ZINC000192024213 333228530 /nfs/dbraw/zinc/22/85/30/333228530.db2.gz QSMJVGCQVDZUFC-UHFFFAOYSA-N 0 1 291.394 3.656 20 30 CHEDMN Cc1ccc([C@@H](C)NCC#Cc2ccccc2)cc1[N+](=O)[O-] ZINC000192162284 333231123 /nfs/dbraw/zinc/23/11/23/333231123.db2.gz BTOSRPVJBRPRDL-OAHLLOKOSA-N 0 1 294.354 3.606 20 30 CHEDMN CN(Cc1cc(Cl)cs1)Cc1cccc(C#N)c1 ZINC000194328525 333269212 /nfs/dbraw/zinc/26/92/12/333269212.db2.gz DRLRLVUPQXTESD-UHFFFAOYSA-N 0 1 276.792 3.905 20 30 CHEDMN Cc1cccc([C@H](C)NCc2cccc(C#N)c2F)c1 ZINC000227349274 333281283 /nfs/dbraw/zinc/28/12/83/333281283.db2.gz WBJBVTYLDQDDFL-ZDUSSCGKSA-N 0 1 268.335 3.857 20 30 CHEDMN N#Cc1cc(CN2CCCc3ccccc3C2)ccc1F ZINC000229750047 333309251 /nfs/dbraw/zinc/30/92/51/333309251.db2.gz WBZGRSXUJMTNGQ-UHFFFAOYSA-N 0 1 280.346 3.646 20 30 CHEDMN C=CCC[C@H](NCc1cnoc1C)c1ccccc1 ZINC000129915027 333799173 /nfs/dbraw/zinc/79/91/73/333799173.db2.gz PRWONFAHYQPOEK-INIZCTEOSA-N 0 1 256.349 3.780 20 30 CHEDMN N#CCC[C@H](NCc1ccsc1)c1ccccc1 ZINC000130425126 333841883 /nfs/dbraw/zinc/84/18/83/333841883.db2.gz NIFSXIKKZVBURQ-HNNXBMFYSA-N 0 1 256.374 3.883 20 30 CHEDMN N#CCC1CCN(Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000543807991 333901082 /nfs/dbraw/zinc/90/10/82/333901082.db2.gz NFZXMRWUJRDLSZ-UHFFFAOYSA-N 0 1 299.349 3.606 20 30 CHEDMN COc1ccc(CN2CCC[C@@H]2c2cccs2)cc1C#N ZINC000134954114 334109337 /nfs/dbraw/zinc/10/93/37/334109337.db2.gz YVWWLVHDXCUMGK-OAHLLOKOSA-N 0 1 298.411 3.965 20 30 CHEDMN CCc1ccc([C@H](C)NCc2ccc(C#N)o2)cc1 ZINC000135124990 334116884 /nfs/dbraw/zinc/11/68/84/334116884.db2.gz KDXNJEVLJIXCHC-LBPRGKRZSA-N 0 1 254.333 3.564 20 30 CHEDMN COc1ccc([C@H](C)NCc2ccc(C#N)s2)cc1F ZINC000135672439 334135880 /nfs/dbraw/zinc/13/58/80/334135880.db2.gz XSPPMKCFFQYFOT-JTQLQIEISA-N 0 1 290.363 3.618 20 30 CHEDMN C[C@@H](N[C@@H]1CSC1(C)C)c1ccc(C#N)cc1Cl ZINC000555229148 334472053 /nfs/dbraw/zinc/47/20/53/334472053.db2.gz RFHIJBHTJFOQOP-NOZJJQNGSA-N 0 1 280.824 3.756 20 30 CHEDMN CCc1ccc([C@H](CO)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000305766250 334577829 /nfs/dbraw/zinc/57/78/29/334577829.db2.gz FGKXAFWLYFKGAG-LIRRHRJNSA-N 0 1 294.398 3.505 20 30 CHEDMN CC1(C#N)CCN(C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000573167023 334913973 /nfs/dbraw/zinc/91/39/73/334913973.db2.gz SGIQUWYWXFHNNX-IHWYPQMZSA-N 0 1 276.330 3.604 20 30 CHEDMN CN(CCCOCc1ccccc1)Cc1ccccc1C#N ZINC000343686450 335216595 /nfs/dbraw/zinc/21/65/95/335216595.db2.gz WLEKMUGHTSNURC-UHFFFAOYSA-N 0 1 294.398 3.597 20 30 CHEDMN CCN(Cc1cc(C#N)cs1)[C@@H](C)c1cccnc1 ZINC000576908072 335262565 /nfs/dbraw/zinc/26/25/65/335262565.db2.gz WCZLWXSGSOQYOZ-LBPRGKRZSA-N 0 1 271.389 3.598 20 30 CHEDMN C=C(C)CCN1CCC[C@@H]1c1ccc(Br)cn1 ZINC000577045455 335289009 /nfs/dbraw/zinc/28/90/09/335289009.db2.gz PJIVJATYOGYRGA-CQSZACIVSA-N 0 1 295.224 3.947 20 30 CHEDMN CC1(C)[C@H](C(F)(F)F)CCN1Cc1ccccc1C#N ZINC000380116932 335328888 /nfs/dbraw/zinc/32/88/88/335328888.db2.gz QASLCMRSTVSDSJ-CYBMUJFWSA-N 0 1 282.309 3.721 20 30 CHEDMN Cc1cccnc1[C@H](NCc1cc(C#N)cs1)C(C)C ZINC000177702230 335379997 /nfs/dbraw/zinc/37/99/97/335379997.db2.gz WWDWLPHXLCSNEJ-OAHLLOKOSA-N 0 1 285.416 3.810 20 30 CHEDMN Cc1nc(CN[C@@H](CCCC#N)c2ccccc2)[nH]c1C ZINC000579142917 335716027 /nfs/dbraw/zinc/71/60/27/335716027.db2.gz LQLPMRFURVQPFV-INIZCTEOSA-N 0 1 282.391 3.551 20 30 CHEDMN C=C(C)C[N@H+](CC)Cc1c2ccccc2sc1C(=O)[O-] ZINC000382534077 336092686 /nfs/dbraw/zinc/09/26/86/336092686.db2.gz NDJKGHCJKHDRAR-UHFFFAOYSA-N 0 1 289.400 3.998 20 30 CHEDMN CSc1ccc(C)c(NC(=O)c2ccc(C#N)c(O)c2)c1 ZINC000336171276 534195234 /nfs/dbraw/zinc/19/52/34/534195234.db2.gz YCUNYIOLSDONRM-UHFFFAOYSA-N 0 1 298.367 3.547 20 30 CHEDMN CC(C)(C)c1ncc(CNCc2cccc(C#N)c2)s1 ZINC000062103597 519112032 /nfs/dbraw/zinc/11/20/32/519112032.db2.gz AFGJVHDALILISA-UHFFFAOYSA-N 0 1 285.416 3.602 20 30 CHEDMN CCCOc1ccc(CNCc2ccc(C#N)cc2F)cc1 ZINC000264407310 520369274 /nfs/dbraw/zinc/36/92/74/520369274.db2.gz PHRDKRITBVCNLV-UHFFFAOYSA-N 0 1 298.361 3.776 20 30 CHEDMN CCN(Cc1ccc(F)cn1)[C@H](C)c1ccc(C#N)cc1 ZINC000276370343 521314584 /nfs/dbraw/zinc/31/45/84/521314584.db2.gz OFLAEZOSAGBNJZ-CYBMUJFWSA-N 0 1 283.350 3.675 20 30 CHEDMN CN(C)[C@H](CNc1ccc(C#N)c(Cl)c1)c1ccco1 ZINC000264606628 522088813 /nfs/dbraw/zinc/08/88/13/522088813.db2.gz DGWKIYQOVMANII-CQSZACIVSA-N 0 1 289.766 3.519 20 30 CHEDMN N#CCCCNCc1ccc(-c2ccccc2)cc1F ZINC000344331892 534613476 /nfs/dbraw/zinc/61/34/76/534613476.db2.gz XTUZPDOGALQBDF-UHFFFAOYSA-N 0 1 268.335 3.886 20 30 CHEDMN COc1ccc(CNC(C)(C)c2ccccc2F)cc1C#N ZINC000291687483 524068758 /nfs/dbraw/zinc/06/87/58/524068758.db2.gz IOEIMNIDMODXPS-UHFFFAOYSA-N 0 1 298.361 3.731 20 30 CHEDMN C[C@@H](c1cccc(C#N)c1)N1CCc2ccsc2C1 ZINC000275554020 526067740 /nfs/dbraw/zinc/06/77/40/526067740.db2.gz GOMOZRICTXWFHN-LBPRGKRZSA-N 0 1 268.385 3.739 20 30 CHEDMN CC(C)(C)N(Cc1ccc(F)cc1)CC1(C#N)CC1 ZINC000347456347 526281789 /nfs/dbraw/zinc/28/17/89/526281789.db2.gz DWQMIQCILOYIFC-UHFFFAOYSA-N 0 1 260.356 3.730 20 30 CHEDMN 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CCCN(Cc1ccc(OC)o1)Cc1ccc(C#N)cc1 ZINC000891652409 1118731551 /nfs/dbraw/zinc/73/15/51/1118731551.db2.gz IQGDSPDVAARUPX-UHFFFAOYSA-N 0 1 284.359 3.572 20 30 CHEDMN CCN(Cc1cnc(F)cc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000891657692 1118732529 /nfs/dbraw/zinc/73/25/29/1118732529.db2.gz ZWIZCBMUSUFWSV-AWEZNQCLSA-N 0 1 297.377 3.984 20 30 CHEDMN CCC(N=Nc1c(C)cccc1Cl)c1ccn(C)n1 ZINC000835011768 1118766528 /nfs/dbraw/zinc/76/65/28/1118766528.db2.gz SZLQQDWYPWWDBC-UHFFFAOYSA-N 0 1 276.771 3.608 20 30 CHEDMN N#CC1CCN([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000335865443 1118806574 /nfs/dbraw/zinc/80/65/74/1118806574.db2.gz MSSAQGWBMQORLU-HNNXBMFYSA-N 0 1 260.768 3.563 20 30 CHEDMN CC(C)c1csc(C(C#N)C(=O)C=Cc2cccnc2)n1 ZINC000255414165 1118862594 /nfs/dbraw/zinc/86/25/94/1118862594.db2.gz JBBKLFWSKWSVLS-SZZPACECSA-N 0 1 297.383 3.551 20 30 CHEDMN CCN(Cc1ccc(Cl)cc1)Cc1ccnc(C#N)c1 ZINC000610991304 1118916935 /nfs/dbraw/zinc/91/69/35/1118916935.db2.gz DSSJYQYTSLTESI-UHFFFAOYSA-N 0 1 285.778 3.629 20 30 CHEDMN COc1ccc(CN2C[C@@H](C)[C@@H]2c2ccccc2)cc1C#N ZINC000610994748 1118919534 /nfs/dbraw/zinc/91/95/34/1118919534.db2.gz PFXIDRACFWJWQW-AUUYWEPGSA-N 0 1 292.382 3.760 20 30 CHEDMN C[C@@H](c1cccc(C#N)c1)N1CCN(c2cccs2)CC1 ZINC000187703217 1118931635 /nfs/dbraw/zinc/93/16/35/1118931635.db2.gz FOEPSHNGKNLTLN-AWEZNQCLSA-N 0 1 297.427 3.503 20 30 CHEDMN CC(=NNc1c(Cl)cccc1Cl)c1cc(C)n(C)n1 ZINC000799880472 1118950063 /nfs/dbraw/zinc/95/00/63/1118950063.db2.gz CICZGIPRTGMASA-UHFFFAOYSA-N 0 1 297.189 3.871 20 30 CHEDMN CCC[C@](C)(NCc1ccc(C#N)o1)c1ccccc1 ZINC000934179878 1118956255 /nfs/dbraw/zinc/95/62/55/1118956255.db2.gz JNWVEDOVNUULPS-KRWDZBQOSA-N 0 1 268.360 3.956 20 30 CHEDMN C=C(C)CN(CC)Cc1cc(C)c(Br)cn1 ZINC000628119510 1128812793 /nfs/dbraw/zinc/81/27/93/1128812793.db2.gz XFTZUKXAJRUKTG-UHFFFAOYSA-N 0 1 283.213 3.551 20 30 CHEDMN C=CCC1(NCc2nc(C(C)(C)C)co2)CCCC1 ZINC000724374605 1118981016 /nfs/dbraw/zinc/98/10/16/1118981016.db2.gz XRLDCLYYHOIRJG-UHFFFAOYSA-N 0 1 262.397 3.951 20 30 CHEDMN CCC#C[C@@H](C)N1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC001167562521 1119047752 /nfs/dbraw/zinc/04/77/52/1119047752.db2.gz MHCKHJLLBZFROU-MSOLQXFVSA-N 0 1 284.447 3.616 20 30 CHEDMN CCC#C[C@H](C)N1CCN(c2ccc(C)c(C)c2)C[C@H]1C ZINC001167562527 1119047979 /nfs/dbraw/zinc/04/79/79/1119047979.db2.gz MHCKHJLLBZFROU-ZWKOTPCHSA-N 0 1 284.447 3.616 20 30 CHEDMN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(C#N)cc1F ZINC000611587902 1119056477 /nfs/dbraw/zinc/05/64/77/1119056477.db2.gz ZRQYESDCOMRSQE-QWHCGFSZSA-N 0 1 293.345 3.981 20 30 CHEDMN C=CCC1(NCc2nc(C(C)C)no2)CCCCC1 ZINC000625937866 1119073884 /nfs/dbraw/zinc/07/38/84/1119073884.db2.gz ZQTZHRUXSTUZSN-UHFFFAOYSA-N 0 1 263.385 3.562 20 30 CHEDMN C=C(C)[C@H](N[C@H]1CO[C@@H](CC)C1)c1ccc(F)c(F)c1 ZINC000657436340 1119087439 /nfs/dbraw/zinc/08/74/39/1119087439.db2.gz KGAQUTIBAOMERT-WWGRRREGSA-N 0 1 281.346 3.739 20 30 CHEDMN O=C(/C=C\c1ccc(F)nc1)c1ccc2ccccc2c1O ZINC000588524136 1119096247 /nfs/dbraw/zinc/09/62/47/1119096247.db2.gz XSQFAEIWZNOEPW-UITAMQMPSA-N 0 1 293.297 3.976 20 30 CHEDMN N#Cc1ccc(F)c(CN2CC[C@H]2Cc2ccccc2)c1 ZINC000479132723 1119104173 /nfs/dbraw/zinc/10/41/73/1119104173.db2.gz WOQRFELDCILHDW-KRWDZBQOSA-N 0 1 280.346 3.514 20 30 CHEDMN N#CCC1CCN(Cc2cscc2Cl)CC1 ZINC000611622811 1119116382 /nfs/dbraw/zinc/11/63/82/1119116382.db2.gz UOOOJTXSKJLVLE-UHFFFAOYSA-N 0 1 254.786 3.527 20 30 CHEDMN C=CCN(CCc1ccccc1)Cc1cnc(C2CC2)o1 ZINC000628155072 1119209075 /nfs/dbraw/zinc/20/90/75/1119209075.db2.gz PJAXEMALLYNIJB-UHFFFAOYSA-N 0 1 282.387 3.783 20 30 CHEDMN CC(C)(C)Oc1ccnc(NCc2ccccc2C#N)c1 ZINC001167637444 1119254651 /nfs/dbraw/zinc/25/46/51/1119254651.db2.gz YNNGCHLBRCNZLH-UHFFFAOYSA-N 0 1 281.359 3.743 20 30 CHEDMN CN(CCCC#N)Cc1cc(Cl)cc(Cl)c1 ZINC000052070750 1119281502 /nfs/dbraw/zinc/28/15/02/1119281502.db2.gz GVNLCFRVZFUUAJ-UHFFFAOYSA-N 0 1 257.164 3.729 20 30 CHEDMN C=CC[N@H+](C)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000154770278 1119318219 /nfs/dbraw/zinc/31/82/19/1119318219.db2.gz XHHUYWWZPFMQFY-UHFFFAOYSA-N 0 1 261.699 3.559 20 30 CHEDMN C=CCCN(C)Cc1nc(-c2ccccc2)cs1 ZINC000343462517 1119426539 /nfs/dbraw/zinc/42/65/39/1119426539.db2.gz AZZYMBKLKRATNT-UHFFFAOYSA-N 0 1 258.390 3.818 20 30 CHEDMN C=C[C@H](CO)N[C@H](C)c1oc2ccc(C)cc2c1CC ZINC000658332741 1119729269 /nfs/dbraw/zinc/72/92/69/1119729269.db2.gz HJZKSTZKKPVPKV-CHWSQXEVSA-N 0 1 273.376 3.501 20 30 CHEDMN CC[C@@H](CN1CCC[C@](C)(C#N)C1)c1ccccc1 ZINC000612406479 1119783148 /nfs/dbraw/zinc/78/31/48/1119783148.db2.gz NIYOIJUVQZWEFW-DOTOQJQBSA-N 0 1 256.393 3.806 20 30 CHEDMN CC[C@H](CN1CCC[C@@](C)(C#N)C1)c1ccccc1 ZINC000612406482 1119782634 /nfs/dbraw/zinc/78/26/34/1119782634.db2.gz NIYOIJUVQZWEFW-WBVHZDCISA-N 0 1 256.393 3.806 20 30 CHEDMN CC[C@H](NCc1ccnc(C#N)c1)c1ccc(Cl)s1 ZINC000612477781 1119790968 /nfs/dbraw/zinc/79/09/68/1119790968.db2.gz ZIMHICZOPKRMEY-LBPRGKRZSA-N 0 1 291.807 3.909 20 30 CHEDMN N#CC(C(=O)c1ccc(Cl)o1)c1ccc2ccccc2n1 ZINC000613290531 1119898309 /nfs/dbraw/zinc/89/83/09/1119898309.db2.gz DYAFBEUYNKQMOE-NSHDSACASA-N 0 1 296.713 3.971 20 30 CHEDMN N#C[C@H](C(=O)c1ccc(Cl)o1)c1ccc2ccccc2n1 ZINC000613290531 1119898316 /nfs/dbraw/zinc/89/83/16/1119898316.db2.gz DYAFBEUYNKQMOE-NSHDSACASA-N 0 1 296.713 3.971 20 30 CHEDMN Cc1ccc(C)c(N[C@@H](C)c2cccc(C#N)c2)n1 ZINC001167708957 1120053128 /nfs/dbraw/zinc/05/31/28/1120053128.db2.gz QRKKQHQEFGJUBT-ZDUSSCGKSA-N 0 1 251.333 3.743 20 30 CHEDMN C=CCCC(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000338670964 1120057522 /nfs/dbraw/zinc/05/75/22/1120057522.db2.gz CLLYIFPUJUOGOU-UHFFFAOYSA-N 0 1 281.315 3.728 20 30 CHEDMN CC(C)(NCc1csc(C#N)c1)c1ccc(F)cc1 ZINC000921669842 1120064700 /nfs/dbraw/zinc/06/47/00/1120064700.db2.gz AFJZLUYWGDOWPY-UHFFFAOYSA-N 0 1 274.364 3.784 20 30 CHEDMN COC[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000181959798 1120111799 /nfs/dbraw/zinc/11/17/99/1120111799.db2.gz GUWDJJKMWLIHIJ-KSSFIOAISA-N 0 1 280.371 3.597 20 30 CHEDMN C[C@@H](C#N)CNC1CC(c2ccc(C(F)(F)F)cc2)C1 ZINC000542693585 1120119928 /nfs/dbraw/zinc/11/99/28/1120119928.db2.gz LDBFQMGWNSKSIJ-JKDOVBDQSA-N 0 1 282.309 3.701 20 30 CHEDMN C[C@H](C#N)CNC1CC(c2ccc(C(F)(F)F)cc2)C1 ZINC000542693586 1120120099 /nfs/dbraw/zinc/12/00/99/1120120099.db2.gz LDBFQMGWNSKSIJ-PWQPVHBWSA-N 0 1 282.309 3.701 20 30 CHEDMN C=CCCC[C@H](C)NC(=O)c1ccc(O)c(Cl)c1 ZINC000182645773 1120121952 /nfs/dbraw/zinc/12/19/52/1120121952.db2.gz ABLZGDHNUZIPSZ-JTQLQIEISA-N 0 1 267.756 3.520 20 30 CHEDMN CC[C@@H](NCc1ccc(C#N)cn1)c1ccc(Cl)cc1 ZINC000554077065 1120146393 /nfs/dbraw/zinc/14/63/93/1120146393.db2.gz MJAFMKKONQVQEN-MRXNPFEDSA-N 0 1 285.778 3.848 20 30 CHEDMN N#Cc1cc(CN[C@@H]2CCc3ccc(F)cc32)cs1 ZINC000921703860 1120154794 /nfs/dbraw/zinc/15/47/94/1120154794.db2.gz BKBPXMDPDJYBCN-OAHLLOKOSA-N 0 1 272.348 3.536 20 30 CHEDMN C[C@@H](NCC1(C#N)CCCC1)c1cc2ccccc2[nH]1 ZINC000926873814 1120172839 /nfs/dbraw/zinc/17/28/39/1120172839.db2.gz JDCXYPCZDMHAJF-CYBMUJFWSA-N 0 1 267.376 3.902 20 30 CHEDMN C=C(Cl)CN[C@H](C)c1ccc(OCC)c(OCC)c1 ZINC000765911565 1120176810 /nfs/dbraw/zinc/17/68/10/1120176810.db2.gz QWPJYALXGGQFRJ-GFCCVEGCSA-N 0 1 283.799 3.887 20 30 CHEDMN C=CCN(Cn1ccc(-c2ccc(F)cc2)n1)C(C)C ZINC000728706110 1120195349 /nfs/dbraw/zinc/19/53/49/1120195349.db2.gz KKPHJPYWRUIDJN-UHFFFAOYSA-N 0 1 273.355 3.543 20 30 CHEDMN Cc1cccnc1[C@@H](NCc1csc(C#N)c1)C(C)C ZINC000921746048 1120195543 /nfs/dbraw/zinc/19/55/43/1120195543.db2.gz UVWHCKWWQKDGKZ-HNNXBMFYSA-N 0 1 285.416 3.810 20 30 CHEDMN C=CC[C@H](NCc1nccc2c1CCCC2)c1ccncc1 ZINC000921748527 1120196194 /nfs/dbraw/zinc/19/61/94/1120196194.db2.gz WKHFYDOKCGGTCT-SFHVURJKSA-N 0 1 293.414 3.762 20 30 CHEDMN C=CCCCCC[N@@H+]1[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@H]1C ZINC000903950555 1120220215 /nfs/dbraw/zinc/22/02/15/1120220215.db2.gz QRGCUEOLALSSJQ-YJNKXOJESA-N 0 1 267.413 3.552 20 30 CHEDMN CC(C)Oc1cccc([C@@H](C)NCc2cc(C#N)ccn2)c1 ZINC001168684792 1120245469 /nfs/dbraw/zinc/24/54/69/1120245469.db2.gz DNFCIYAGBWMYIW-CQSZACIVSA-N 0 1 295.386 3.591 20 30 CHEDMN CCCOc1ccc(CN[C@@H](C)c2cccc(C#N)c2)cn1 ZINC000181725690 1128902219 /nfs/dbraw/zinc/90/22/19/1128902219.db2.gz GZAFOJTYDQCHOH-AWEZNQCLSA-N 0 1 295.386 3.593 20 30 CHEDMN C=CC1CCN(Cc2nsc3ccccc32)CC1 ZINC000659914652 1120282612 /nfs/dbraw/zinc/28/26/12/1120282612.db2.gz AEZJDFQSFMVOQW-UHFFFAOYSA-N 0 1 258.390 3.694 20 30 CHEDMN N#CCC[C@H](NCc1cn2ccnc2s1)c1ccccc1 ZINC000893194395 1120295387 /nfs/dbraw/zinc/29/53/87/1120295387.db2.gz HDMSLRJVBXPGPN-HNNXBMFYSA-N 0 1 296.399 3.530 20 30 CHEDMN CCc1cc(CN2CCC(F)(F)[C@@H](C)C2)ccc1C#N ZINC001238765730 1131243520 /nfs/dbraw/zinc/24/35/20/1131243520.db2.gz HJQSGBGANBJRQM-LBPRGKRZSA-N 0 1 278.346 3.598 20 30 CHEDMN Cc1cccc([C@H]2CCCN2Cc2ccc(C#N)cn2)c1 ZINC000584566278 1120331952 /nfs/dbraw/zinc/33/19/52/1120331952.db2.gz VVFFBNXMFUDRGO-GOSISDBHSA-N 0 1 277.371 3.599 20 30 CHEDMN C=CCCC[C@@H](C(=O)O[C@H](C)c1nnc[nH]1)c1ccccc1 ZINC000893247124 1120337932 /nfs/dbraw/zinc/33/79/32/1120337932.db2.gz IUGVWTZIVVYDEF-UKRRQHHQSA-N 0 1 299.374 3.549 20 30 CHEDMN CC[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(C#N)s1 ZINC000468679959 1120356127 /nfs/dbraw/zinc/35/61/27/1120356127.db2.gz MAUUNWHRGPIOKN-OAHLLOKOSA-N 0 1 282.412 3.957 20 30 CHEDMN CC[C@@H]1Cc2ccccc2CN1Cc1ccc(C#N)s1 ZINC000468679959 1120356133 /nfs/dbraw/zinc/35/61/33/1120356133.db2.gz MAUUNWHRGPIOKN-OAHLLOKOSA-N 0 1 282.412 3.957 20 30 CHEDMN CCCc1nc(C)c(CNCc2c(C)cc(C#N)cc2C)o1 ZINC000922144754 1120383677 /nfs/dbraw/zinc/38/36/77/1120383677.db2.gz WFMALZMLVGAANW-UHFFFAOYSA-N 0 1 297.402 3.714 20 30 CHEDMN N#CCc1ccc(CNC2(c3cccc(F)c3)CC2)cc1 ZINC000544120063 1120426735 /nfs/dbraw/zinc/42/67/35/1120426735.db2.gz LQJDWUNRMHAQJK-UHFFFAOYSA-N 0 1 280.346 3.671 20 30 CHEDMN Cc1cc(C=NNc2nc3ccccc3cc2C)sn1 ZINC000785462487 1120432595 /nfs/dbraw/zinc/43/25/95/1120432595.db2.gz VLNOCOIESWMMSK-UHFFFAOYSA-N 0 1 282.372 3.754 20 30 CHEDMN CC(C)(NCc1cnn(C2CCC2)c1)c1cccc(C#N)c1 ZINC000922239433 1120479924 /nfs/dbraw/zinc/47/99/24/1120479924.db2.gz QSUSWYYYYYKEMA-UHFFFAOYSA-N 0 1 294.402 3.505 20 30 CHEDMN CC[C@H](NCc1ccc(C#N)cc1F)c1ccc(C#N)cc1 ZINC000618567894 1128920140 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1131632017 /nfs/dbraw/zinc/63/20/17/1131632017.db2.gz CHAYWQHTLBCHCI-UHFFFAOYSA-N 0 1 280.371 3.594 20 30 CHEDMN Cc1cc(C(C#N)=C(O)C=CC2CCCCCC2)nc(C)n1 ZINC000845444359 1131635525 /nfs/dbraw/zinc/63/55/25/1131635525.db2.gz RKJZYISOXZVWQB-ZBTGYSDGSA-N 0 1 297.402 3.796 20 30 CHEDMN C=CCn1cc(CN2CCc3ccccc3[C@@H]2CC)cn1 ZINC001139770843 1131637111 /nfs/dbraw/zinc/63/71/11/1131637111.db2.gz CZRNNVKATRQHKR-SFHVURJKSA-N 0 1 281.403 3.579 20 30 CHEDMN N#CC(C(=O)[C@@H]1C[C@H]1C1CCC1)c1nccc2ccccc21 ZINC000845532152 1131640264 /nfs/dbraw/zinc/64/02/64/1131640264.db2.gz TUIXMNKHSSBFIK-BBWFWOEESA-N 0 1 290.366 3.847 20 30 CHEDMN CCCC[C@H](C)C(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845844668 1131662392 /nfs/dbraw/zinc/66/23/92/1131662392.db2.gz IZAIPRYNHRPCRO-HOCLYGCPSA-N 0 1 297.398 3.822 20 30 CHEDMN CCCCCCC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845840677 1131663311 /nfs/dbraw/zinc/66/33/11/1131663311.db2.gz NJIVGWYOIIHEIR-INIZCTEOSA-N 0 1 297.398 3.967 20 30 CHEDMN 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/nfs/dbraw/zinc/02/48/27/1120024827.db2.gz ASQQTFODSFPHRH-MRXNPFEDSA-N 0 1 297.427 3.873 20 30 CHEDMN C=CC(C)(C)CC(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000892702584 1120102831 /nfs/dbraw/zinc/10/28/31/1120102831.db2.gz FIEKFYHRXFBEIJ-GFCCVEGCSA-N 0 1 281.359 3.650 20 30 CHEDMN C[C@H](NCC#Cc1ccc(Cl)cc1)c1cccc(O)c1 ZINC000181580741 1120105228 /nfs/dbraw/zinc/10/52/28/1120105228.db2.gz SOJQAZBRWFRLDR-ZDUSSCGKSA-N 0 1 285.774 3.748 20 30 CHEDMN N#CCCCNc1ccnc2cc(C(F)(F)F)ccc21 ZINC000273342517 1120108296 /nfs/dbraw/zinc/10/82/96/1120108296.db2.gz NYFQGMNYWPLEHZ-UHFFFAOYSA-N 0 1 279.265 3.969 20 30 CHEDMN CCc1cccc2c1OCC[C@@H]2NCc1csc(C#N)c1 ZINC000921691604 1120126298 /nfs/dbraw/zinc/12/62/98/1120126298.db2.gz FBSRIFCBLZMMRM-INIZCTEOSA-N 0 1 298.411 3.796 20 30 CHEDMN C[C@@H](NCC(C)(C)C#N)c1cc2c(s1)CCCC2 ZINC000122308382 1120131880 /nfs/dbraw/zinc/13/18/80/1120131880.db2.gz MCOHXOMMBPYOTA-LLVKDONJSA-N 0 1 262.422 3.827 20 30 CHEDMN C=C(C)CCOC(=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000924085444 1120134771 /nfs/dbraw/zinc/13/47/71/1120134771.db2.gz FXGLRJIJSGWBGZ-UHFFFAOYSA-N 0 1 280.274 3.624 20 30 CHEDMN N#C[C@H]1CC[C@H](NCc2c(Cl)oc3ccccc32)C1 ZINC000613661478 1120153079 /nfs/dbraw/zinc/15/30/79/1120153079.db2.gz QHBLNCAEMBOQSW-QWRGUYRKSA-N 0 1 274.751 3.868 20 30 CHEDMN CC(C)COc1ccccc1CNCc1cccc(C#N)c1 ZINC000060526952 1120201332 /nfs/dbraw/zinc/20/13/32/1120201332.db2.gz VJXFKXQSDLINGD-UHFFFAOYSA-N 0 1 294.398 3.883 20 30 CHEDMN C[C@@H](C#N)Oc1ccc(CNCc2ccc(Cl)o2)cc1 ZINC000728713189 1120216228 /nfs/dbraw/zinc/21/62/28/1120216228.db2.gz SUYQDXYVVRWXFO-NSHDSACASA-N 0 1 290.750 3.514 20 30 CHEDMN C[C@H](c1c(F)cccc1F)N(C)CCCCC#N ZINC000338732717 1120223115 /nfs/dbraw/zinc/22/31/15/1120223115.db2.gz JQBLPHNKJMDZMN-LLVKDONJSA-N 0 1 252.308 3.651 20 30 CHEDMN CCc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)s1 ZINC000061948109 1120233158 /nfs/dbraw/zinc/23/31/58/1120233158.db2.gz QYAJDVQRSMKFRW-UHFFFAOYSA-N 0 1 270.401 3.814 20 30 CHEDMN N#Cc1ccc(F)c(Nc2cc(F)c(O)c(Cl)c2)c1 ZINC001214488297 1120303098 /nfs/dbraw/zinc/30/30/98/1120303098.db2.gz AXAMEYUCZSMVLQ-UHFFFAOYSA-N 0 1 280.661 3.939 20 30 CHEDMN N#Cc1cc(CN[C@@H]2CCCc3c(F)cccc32)cs1 ZINC000922148137 1120384925 /nfs/dbraw/zinc/38/49/25/1120384925.db2.gz AMTJIYFGMIXKPO-MRXNPFEDSA-N 0 1 286.375 3.926 20 30 CHEDMN C[C@H](c1ccccc1)N(C)Cc1ccccc1C#N ZINC000066696332 1120404874 /nfs/dbraw/zinc/40/48/74/1120404874.db2.gz SSEWFJFPRPTRDL-CQSZACIVSA-N 0 1 250.345 3.751 20 30 CHEDMN CC(C)Oc1ccccc1CN(C)Cc1ccc(C#N)cc1 ZINC000053331176 1120468382 /nfs/dbraw/zinc/46/83/82/1120468382.db2.gz VLHMQGSWLLMESN-UHFFFAOYSA-N 0 1 294.398 3.977 20 30 CHEDMN COC[C@H](c1ccc(Cl)cc1)N(C)CCC(C)(C)C#N ZINC000554257683 1128919189 /nfs/dbraw/zinc/91/91/89/1128919189.db2.gz JAQNEIMXQFROEC-OAHLLOKOSA-N 0 1 294.826 3.899 20 30 CHEDMN COc1ccccc1[C@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000020096739 1120512264 /nfs/dbraw/zinc/51/22/64/1120512264.db2.gz YDGIVMQZINCBDV-KGLIPLIRSA-N 0 1 280.371 3.979 20 30 CHEDMN Cc1csc(C(C#N)C(=O)c2ccc(C(F)F)cc2)n1 ZINC000338862920 1120552269 /nfs/dbraw/zinc/55/22/69/1120552269.db2.gz SHUNSHVIYZLPIW-LLVKDONJSA-N 0 1 292.310 3.879 20 30 CHEDMN C[C@@H](N[C@H](C)c1ccc(F)cn1)c1cccc(C#N)c1 ZINC000092765990 1120567403 /nfs/dbraw/zinc/56/74/03/1120567403.db2.gz MPIDQOQCGNIAJS-VXGBXAGGSA-N 0 1 269.323 3.504 20 30 CHEDMN COc1ccc([C@H]2CCCN2Cc2cc(C#N)cs2)cc1 ZINC000155149457 1120573286 /nfs/dbraw/zinc/57/32/86/1120573286.db2.gz QLALPCFDCVCQJY-QGZVFWFLSA-N 0 1 298.411 3.965 20 30 CHEDMN C[C@@H]1C[C@@H](C)[C@@H](C)N(Cc2cccc(F)c2C#N)C1 ZINC000428983975 1120598313 /nfs/dbraw/zinc/59/83/13/1120598313.db2.gz RJDHZNKCXPUQKR-JHJVBQTASA-N 0 1 260.356 3.564 20 30 CHEDMN CC[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1c(C)noc1C ZINC000155888521 1120603645 /nfs/dbraw/zinc/60/36/45/1120603645.db2.gz MKANGALMFPLXIX-ZBEGNZNMSA-N 0 1 283.375 3.965 20 30 CHEDMN N#Cc1csc(CN(Cc2cccc(O)c2)CC2CC2)c1 ZINC000092670899 1120615751 /nfs/dbraw/zinc/61/57/51/1120615751.db2.gz PAXKZRPNQHFXGR-UHFFFAOYSA-N 0 1 298.411 3.738 20 30 CHEDMN CCN(CCc1ccc2ccccc2c1)C[C@@H](C)C#N ZINC000511667790 1120626314 /nfs/dbraw/zinc/62/63/14/1120626314.db2.gz SCCIFQYYYADGIL-HNNXBMFYSA-N 0 1 266.388 3.864 20 30 CHEDMN C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccccn1 ZINC000335844727 1120645437 /nfs/dbraw/zinc/64/54/37/1120645437.db2.gz SNZJFVGGTLPZHP-ACJLOTCBSA-N 0 1 277.371 3.681 20 30 CHEDMN C[C@@H](c1cccc(C#N)c1)N1Cc2ccccc2O[C@H](C)C1 ZINC000429132319 1120671592 /nfs/dbraw/zinc/67/15/92/1120671592.db2.gz ZITBZJFKANGXGW-CABCVRRESA-N 0 1 292.382 3.902 20 30 CHEDMN C=CC[C@@H]1CC[C@H](NCc2cc(COC(C)(C)C)on2)C1 ZINC000651767141 1120740300 /nfs/dbraw/zinc/74/03/00/1120740300.db2.gz INDCMKZZOMDSRZ-KGLIPLIRSA-N 0 1 292.423 3.824 20 30 CHEDMN C=CC[C@@H]1CCCN(Cc2ccn(C3CCCC3)n2)C1 ZINC000661380885 1120758955 /nfs/dbraw/zinc/75/89/55/1120758955.db2.gz QRALCZORRSGKFV-OAHLLOKOSA-N 0 1 273.424 3.786 20 30 CHEDMN C=CC[C@@H]1CCC[N@H+]([C@@H](C)c2nc(C(C)C)no2)C1 ZINC000661379188 1120759577 /nfs/dbraw/zinc/75/95/77/1120759577.db2.gz VNMVRWMIAFDWKN-QWHCGFSZSA-N 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PSKYTOOFRNPMJZ-UHFFFAOYSA-N 0 1 278.346 3.653 20 30 CHEDMN CC(C)(CCC#N)CN1CCc2c(F)cc(F)cc2C1 ZINC000093838409 1120885736 /nfs/dbraw/zinc/88/57/36/1120885736.db2.gz PSKYTOOFRNPMJZ-UHFFFAOYSA-N 0 1 278.346 3.653 20 30 CHEDMN C[C@@H](CCC#N)Sc1nnc(CCC2CCCC2)[nH]1 ZINC000188288345 1120898666 /nfs/dbraw/zinc/89/86/66/1120898666.db2.gz FPANUSQMWOQVDX-NSHDSACASA-N 0 1 278.425 3.712 20 30 CHEDMN C[C@@H](CCC#N)Sc1nc(CCC2CCCC2)n[nH]1 ZINC000188288345 1120898669 /nfs/dbraw/zinc/89/86/69/1120898669.db2.gz FPANUSQMWOQVDX-NSHDSACASA-N 0 1 278.425 3.712 20 30 CHEDMN CN(Cc1ccc(C#N)o1)Cc1ccc2ccccc2c1 ZINC000506111979 1120916662 /nfs/dbraw/zinc/91/66/62/1120916662.db2.gz FUYDNMMSLZBNBX-UHFFFAOYSA-N 0 1 276.339 3.936 20 30 CHEDMN N#Cc1ccc2c(c1)[C@H](NC1(c3ccccc3F)CC1)CC2 ZINC000584690459 1120994841 /nfs/dbraw/zinc/99/48/41/1120994841.db2.gz MEWRZJJNQDYUNP-GOSISDBHSA-N 0 1 292.357 3.964 20 30 CHEDMN C=CCC1(NCc2nc(C3CCCC3)no2)CCCC1 ZINC000661852546 1121030457 /nfs/dbraw/zinc/03/04/57/1121030457.db2.gz YELNMFQMHKOQMJ-UHFFFAOYSA-N 0 1 275.396 3.706 20 30 CHEDMN CCc1c(C)nc2sc(C(N)=O)c(N=C(C)C)c2c1C ZINC001174788349 1121032095 /nfs/dbraw/zinc/03/20/95/1121032095.db2.gz BFDMNOMDDOJIKW-UHFFFAOYSA-N 0 1 289.404 3.520 20 30 CHEDMN N#Cc1cc(Nc2cncc(C(F)(F)F)c2)c(O)cc1F ZINC001174744870 1121033346 /nfs/dbraw/zinc/03/33/46/1121033346.db2.gz GWROXYISVWQOHP-UHFFFAOYSA-N 0 1 297.211 3.560 20 30 CHEDMN C=CC[C@@H]1CCN(Cc2nc(C(C)(C)C)cs2)C1 ZINC000625699957 1121061639 /nfs/dbraw/zinc/06/16/39/1121061639.db2.gz FPJWDYYLWDPJND-GFCCVEGCSA-N 0 1 264.438 3.839 20 30 CHEDMN C=CCN(CCCOC(C)C)Cc1ccccc1F ZINC000344137228 1121099144 /nfs/dbraw/zinc/09/91/44/1121099144.db2.gz QBFPDKWBDCSIAI-UHFFFAOYSA-N 0 1 265.372 3.629 20 30 CHEDMN C=C(CC)CN1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000773427296 1121100191 /nfs/dbraw/zinc/10/01/91/1121100191.db2.gz FXUMMRYCOVIZIY-INMHGKMJSA-N 0 1 259.393 3.803 20 30 CHEDMN C=C1O[C@H](CC)C(=O)C1OC(F)(F)c1ccccc1F ZINC001223374809 1121115374 /nfs/dbraw/zinc/11/53/74/1121115374.db2.gz MZRZTBSNINXGDO-LLVKDONJSA-N 0 1 286.249 3.501 20 30 CHEDMN CC[C@@H](NCc1ccc(C#N)cc1F)c1ccc(C#N)cc1 ZINC000618567893 1121138786 /nfs/dbraw/zinc/13/87/86/1121138786.db2.gz GOUWYZVKKFENTN-GOSISDBHSA-N 0 1 293.345 3.810 20 30 CHEDMN C[C@@H]1CCN(Cc2ccc(C#N)cc2Br)[C@H]1C ZINC000245539187 1121204308 /nfs/dbraw/zinc/20/43/08/1121204308.db2.gz HLIIYGXXAQCCEV-MNOVXSKESA-N 0 1 293.208 3.551 20 30 CHEDMN C=CCCCCCN(C)Cn1ccc(-c2nccs2)n1 ZINC000766096649 1121230152 /nfs/dbraw/zinc/23/01/52/1121230152.db2.gz YCXGHKAMPWYTRK-UHFFFAOYSA-N 0 1 290.436 3.642 20 30 CHEDMN N#Cc1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)o1 ZINC000173743692 1121243595 /nfs/dbraw/zinc/24/35/95/1121243595.db2.gz HZCRUPQQXDEKJU-UHFFFAOYSA-N 0 1 277.205 3.713 20 30 CHEDMN C[C@H](NCc1ccc(C#N)cc1F)c1ccc(F)cc1 ZINC000042321112 1121300532 /nfs/dbraw/zinc/30/05/32/1121300532.db2.gz HCYZQXUEZQUTGL-NSHDSACASA-N 0 1 272.298 3.687 20 30 CHEDMN Cc1ccc2[nH]ncc2c1Nc1csc(C#N)c1 ZINC001175525867 1121365124 /nfs/dbraw/zinc/36/51/24/1121365124.db2.gz JSXTUGZFXZTLDI-UHFFFAOYSA-N 0 1 254.318 3.548 20 30 CHEDMN C#CCOc1ccc(Nc2c3cn[nH]c3ccc2C)cc1 ZINC001175526980 1121367226 /nfs/dbraw/zinc/36/72/26/1121367226.db2.gz FGBBFZZFADFMMD-UHFFFAOYSA-N 0 1 277.327 3.627 20 30 CHEDMN CNc1ccc(C#N)cc1Nc1c2cn[nH]c2ccc1C ZINC001175527267 1121371106 /nfs/dbraw/zinc/37/11/06/1121371106.db2.gz JXIKMCZVMMLLCF-UHFFFAOYSA-N 0 1 277.331 3.528 20 30 CHEDMN Cc1[nH]nc2ccc(Nc3ccc(C)cc3C#N)cc12 ZINC001175700242 1121417611 /nfs/dbraw/zinc/41/76/11/1121417611.db2.gz XJIPMLVGJVENRQ-UHFFFAOYSA-N 0 1 262.316 3.795 20 30 CHEDMN Cc1[nH]nc2cc(Nc3cccc(F)c3C#N)ccc12 ZINC001175661961 1121426624 /nfs/dbraw/zinc/42/66/24/1121426624.db2.gz XLZDITIWOLJFCR-UHFFFAOYSA-N 0 1 266.279 3.626 20 30 CHEDMN Cc1[nH]nc2cc(Nc3cc(F)c(F)cc3C#N)ccc12 ZINC001175663050 1121427405 /nfs/dbraw/zinc/42/74/05/1121427405.db2.gz QPMLAXVKRGPFBC-UHFFFAOYSA-N 0 1 284.269 3.765 20 30 CHEDMN Cc1[nH]nc2cc(Nc3ccc(C#N)c(F)c3F)ccc12 ZINC001175663286 1121428237 /nfs/dbraw/zinc/42/82/37/1121428237.db2.gz 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289.404 3.633 20 30 CHEDMN C[C@H]1CN(Cc2cc(Cl)ccc2OCC#N)CC[C@@H]1C ZINC000766987928 1129771083 /nfs/dbraw/zinc/77/10/83/1129771083.db2.gz IEFSTDPMQFBMAH-STQMWFEESA-N 0 1 292.810 3.720 20 30 CHEDMN Fc1ccc(-c2nc(C=N[N-]c3cccc[nH+]3)cs2)cc1 ZINC000767032334 1129774270 /nfs/dbraw/zinc/77/42/70/1129774270.db2.gz GTTRVJDRQFKDBU-UHFFFAOYSA-N 0 1 298.346 3.790 20 30 CHEDMN O=C(/C=C/c1cc(F)c(F)cc1F)c1ccccc1O ZINC000767729137 1129810165 /nfs/dbraw/zinc/81/01/65/1129810165.db2.gz LQEDLXFUEUSOHT-AATRIKPKSA-N 0 1 278.229 3.706 20 30 CHEDMN CC(N=Nc1ccc([N+](=O)[O-])cc1Cl)c1cscn1 ZINC000767907880 1129820815 /nfs/dbraw/zinc/82/08/15/1129820815.db2.gz HYYUMHDWVLNBIV-UHFFFAOYSA-N 0 1 296.739 3.541 20 30 CHEDMN C=C(C)CNCc1nc2ccc(Br)cc2s1 ZINC000381196079 1129835487 /nfs/dbraw/zinc/83/54/87/1129835487.db2.gz ZZPMGCUJIGTHHG-UHFFFAOYSA-N 0 1 297.221 3.725 20 30 CHEDMN C/C(=C/c1ccccc1)CN(CCC#N)CC(C)C ZINC000768153300 1129836464 /nfs/dbraw/zinc/83/64/64/1129836464.db2.gz CUAKIGLYYUJNEC-VBKFSLOCSA-N 0 1 256.393 3.962 20 30 CHEDMN CC1(C)C(=NNCCN2CCCCC2)C[C@@H]1c1ccccc1 ZINC000768481990 1129857329 /nfs/dbraw/zinc/85/73/29/1129857329.db2.gz GLAABWYHMSWCCZ-QGZVFWFLSA-N 0 1 299.462 3.632 20 30 CHEDMN CCCC[C@@H](C)C(=O)[C@@H](C#N)c1nc2cccc(C)c2[nH]1 ZINC000800393856 1129869948 /nfs/dbraw/zinc/86/99/48/1129869948.db2.gz RAAQCQMZXWCEAC-CHWSQXEVSA-N 0 1 283.375 3.874 20 30 CHEDMN C#CCN(Cc1ccc(F)cc1)Cc1cccc2[nH]ccc21 ZINC000769146165 1129892081 /nfs/dbraw/zinc/89/20/81/1129892081.db2.gz NUJUIPJOMMFSET-UHFFFAOYSA-N 0 1 292.357 3.942 20 30 CHEDMN CC(N=Nc1cc(F)c(F)cc1F)C1SC=CC1=O ZINC000769789754 1129925576 /nfs/dbraw/zinc/92/55/76/1129925576.db2.gz GKHYTOHAHAZCDA-UHFFFAOYSA-N 0 1 286.278 3.707 20 30 CHEDMN C=CC[C@H]1N(Cc2nnc(C(C)(C)C)o2)CCCC1(C)C ZINC000769952987 1129931717 /nfs/dbraw/zinc/93/17/17/1129931717.db2.gz HMBFWAZVEOMONG-CYBMUJFWSA-N 0 1 291.439 3.934 20 30 CHEDMN C[C@@H](C#N)OCCN[C@@H](C)c1cccc(Cl)c1Cl ZINC000801939738 1129962040 /nfs/dbraw/zinc/96/20/40/1129962040.db2.gz RGMKZKIIRRUUFW-UWVGGRQHSA-N 0 1 287.190 3.573 20 30 CHEDMN C[C@H](C#N)OCCN[C@@H](C)c1cccc(Cl)c1Cl ZINC000801939740 1129962164 /nfs/dbraw/zinc/96/21/64/1129962164.db2.gz RGMKZKIIRRUUFW-ZJUUUORDSA-N 0 1 287.190 3.573 20 30 CHEDMN Cc1ccc(C(=O)/C=C\c2cnc3ccc(C)cn23)c(O)c1 ZINC000771859568 1129994540 /nfs/dbraw/zinc/99/45/40/1129994540.db2.gz NTSJJTCLKMIRNJ-ALCCZGGFSA-N 0 1 292.338 3.553 20 30 CHEDMN CC[C@@H](N[C@@H](C)c1cc(C#N)ccn1)c1ccc(OC)cc1 ZINC000902726686 1130045042 /nfs/dbraw/zinc/04/50/42/1130045042.db2.gz SYMVZUHDQMIIPJ-SUMWQHHRSA-N 0 1 295.386 3.764 20 30 CHEDMN C[C@H](N[C@@H](c1ccccc1)C1CC1)c1cc(C#N)ccn1 ZINC000902731657 1130047525 /nfs/dbraw/zinc/04/75/25/1130047525.db2.gz NPQZSESCFKHKHV-UGSOOPFHSA-N 0 1 277.371 3.755 20 30 CHEDMN COc1ccc(-c2cc(/C=N/O)cc(C(F)(F)F)c2)cn1 ZINC001239728624 1130077072 /nfs/dbraw/zinc/07/70/72/1130077072.db2.gz PCEIHEXQVPQBLK-FBCYGCLPSA-N 0 1 296.248 3.584 20 30 CHEDMN CSCc1cccc(CN[C@@H](C)c2cc(C#N)ccn2)c1 ZINC000902966945 1130092414 /nfs/dbraw/zinc/09/24/14/1130092414.db2.gz MYOIAHYEARSULJ-ZDUSSCGKSA-N 0 1 297.427 3.667 20 30 CHEDMN CC[C@@H](NCC(C)(C)C#N)c1ccc2c(c1)CCCO2 ZINC000903100817 1130112300 /nfs/dbraw/zinc/11/23/00/1130112300.db2.gz ZGGMFMOCQXTRJA-OAHLLOKOSA-N 0 1 272.392 3.602 20 30 CHEDMN CC(C)[C@H]1C[C@H](NCC2(C#N)CC2)c2ccccc21 ZINC000903106876 1130113432 /nfs/dbraw/zinc/11/34/32/1130113432.db2.gz XSWMJNMIMSFNNO-CVEARBPZSA-N 0 1 254.377 3.764 20 30 CHEDMN CC(C)[C@H]1C[C@@H](NCC2(C#N)CC2)c2ccccc21 ZINC000903106878 1130113753 /nfs/dbraw/zinc/11/37/53/1130113753.db2.gz XSWMJNMIMSFNNO-HZPDHXFCSA-N 0 1 254.377 3.764 20 30 CHEDMN C[C@@H](NCC1(C#N)CCCC1)c1ccc2c(c1)CCCO2 ZINC000903108396 1130114715 /nfs/dbraw/zinc/11/47/15/1130114715.db2.gz BTQMIVMRGUBKBX-CQSZACIVSA-N 0 1 284.403 3.746 20 30 CHEDMN N#CC1(CN[C@H](CCc2cccnc2)c2ccccc2)CC1 ZINC000903108361 1130114884 /nfs/dbraw/zinc/11/48/84/1130114884.db2.gz AQNKNSPXNNOSJO-GOSISDBHSA-N 0 1 291.398 3.649 20 30 CHEDMN CCOc1ccc([C@@H](C)NCC2(C#N)CCCC2)cc1 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288.354 3.842 20 30 CHEDMN C=CCCCCC[C@@H](C)NCc1coc(CC)n1 ZINC000825061752 1131496851 /nfs/dbraw/zinc/49/68/51/1131496851.db2.gz JHATUGGWLHKKHN-CYBMUJFWSA-N 0 1 250.386 3.852 20 30 CHEDMN Cc1c2ccccc2[nH]c1CN(C)Cc1cccc(C#N)c1 ZINC001138399764 1131498591 /nfs/dbraw/zinc/49/85/91/1131498591.db2.gz BVMWNPQJIHCMQW-UHFFFAOYSA-N 0 1 289.382 3.980 20 30 CHEDMN Cc1ccc2[nH]c(CN3CCC[C@H](CC#N)C3)cc2c1 ZINC001138420043 1131503237 /nfs/dbraw/zinc/50/32/37/1131503237.db2.gz LOZQPCKKITVIRA-CQSZACIVSA-N 0 1 267.376 3.602 20 30 CHEDMN C[C@H]1CCCN(Cc2c(Cl)cccc2C#N)CC1 ZINC001143717520 1131525554 /nfs/dbraw/zinc/52/55/54/1131525554.db2.gz GLRWSEVYGKGHDN-LBPRGKRZSA-N 0 1 262.784 3.834 20 30 CHEDMN C=CCc1cccc(C[N@H+]2CCCC(F)(F)CC2)c1O ZINC001138625247 1131528118 /nfs/dbraw/zinc/52/81/18/1131528118.db2.gz IMXXTGGKWXNFAE-UHFFFAOYSA-N 0 1 281.346 3.742 20 30 CHEDMN C=CCc1cccc(C[N@@H+]2CCCC[C@H](C)C2)c1O ZINC001138625563 1131528268 /nfs/dbraw/zinc/52/82/68/1131528268.db2.gz OVZVPMOBUPFOTK-AWEZNQCLSA-N 0 1 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CMRILQROFNVINS-VXGBXAGGSA-N 0 1 262.784 3.690 20 30 CHEDMN C=CCc1cccc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1O ZINC001138629290 1131529402 /nfs/dbraw/zinc/52/94/02/1131529402.db2.gz TZMADZYRQMKRTO-UHFFFAOYSA-N 0 1 292.382 3.624 20 30 CHEDMN C=CCc1cccc(C[N@H+]2CCC[C@H]2c2ccncc2)c1O ZINC001138628695 1131530189 /nfs/dbraw/zinc/53/01/89/1131530189.db2.gz CEIYLEJKSOAECD-SFHVURJKSA-N 0 1 294.398 3.853 20 30 CHEDMN C=C(C)COc1ccccc1CN1C[C@@H](C)C[C@H]1CF ZINC001138662352 1131534388 /nfs/dbraw/zinc/53/43/88/1131534388.db2.gz VSXSXCUTCPMXLB-HOCLYGCPSA-N 0 1 277.383 3.821 20 30 CHEDMN C#CCN(C)Cc1cccc(Oc2ccc(C)cc2)c1 ZINC001144090410 1131580256 /nfs/dbraw/zinc/58/02/56/1131580256.db2.gz IAXUPPFNROHZCV-UHFFFAOYSA-N 0 1 265.356 3.852 20 30 CHEDMN Cc1cccc(CN(Cc2cncc(C#N)c2)C2CC2)c1C ZINC001144084504 1131581920 /nfs/dbraw/zinc/58/19/20/1131581920.db2.gz FJRXGCWPRLWJCJ-UHFFFAOYSA-N 0 1 291.398 3.735 20 30 CHEDMN C=C[C@@H](C)ON=C(C)c1[nH]c(-c2ccccc2)nc1C ZINC000844626088 1131586935 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ZINC001140114532 1131665321 /nfs/dbraw/zinc/66/53/21/1131665321.db2.gz SWBSXEZCGUBIET-UHFFFAOYSA-N 0 1 293.345 3.811 20 30 CHEDMN N#CC1(CN[C@H]2CCCNc3ccccc32)CCCC1 ZINC000846011646 1131677998 /nfs/dbraw/zinc/67/79/98/1131677998.db2.gz XATJSMSEFDXFSN-INIZCTEOSA-N 0 1 269.392 3.607 20 30 CHEDMN C=CCN(CC=C)Cc1ccc(Br)c(F)c1 ZINC001140212946 1131677994 /nfs/dbraw/zinc/67/79/94/1131677994.db2.gz KZWKGRCIEATLRG-UHFFFAOYSA-N 0 1 284.172 3.762 20 30 CHEDMN Cc1cc([C@H]2CCCN2[C@@H](C)Cc2cccc(C#N)c2)no1 ZINC001171204700 1131678066 /nfs/dbraw/zinc/67/80/66/1131678066.db2.gz ZUMNHDGOQFDKKG-SCLBCKFNSA-N 0 1 295.386 3.623 20 30 CHEDMN Cc1cc(O)c(CNCC2(C#N)CCCC2)c(Cl)c1 ZINC000846009971 1131678244 /nfs/dbraw/zinc/67/82/44/1131678244.db2.gz GKDZXTUJIPLDCB-UHFFFAOYSA-N 0 1 278.783 3.528 20 30 CHEDMN CCCCCCCN[C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000834701528 1131695361 /nfs/dbraw/zinc/69/53/61/1131695361.db2.gz DUKVWGSIVDMBLY-INIZCTEOSA-N 0 1 290.386 3.593 20 30 CHEDMN C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)c2c1c(F)ccc2[O-] ZINC000834880199 1131716853 /nfs/dbraw/zinc/71/68/53/1131716853.db2.gz NBXKKJTYDXPGCK-ZJQBRPOHSA-N 0 1 288.366 3.752 20 30 CHEDMN C=CCN(CC=C)Cc1ccc(-c2ccc(Cl)nn2)cc1 ZINC001140416041 1131719603 /nfs/dbraw/zinc/71/96/03/1131719603.db2.gz XIGWEMDANVVOJH-UHFFFAOYSA-N 0 1 299.805 3.971 20 30 CHEDMN C#Cc1cccc(CN[C@H](C)c2sccc2OC)c1 ZINC000834902248 1131725800 /nfs/dbraw/zinc/72/58/00/1131725800.db2.gz GFMAAIXLILWIGG-GFCCVEGCSA-N 0 1 271.385 3.589 20 30 CHEDMN C#Cc1cccc(CN[C@@H](C)c2ccccc2OCC)c1 ZINC000834903396 1131726722 /nfs/dbraw/zinc/72/67/22/1131726722.db2.gz PGNORXKEJSWDJE-HNNXBMFYSA-N 0 1 279.383 3.917 20 30 CHEDMN C=C[C@@H](CCCCCC)Oc1nc(=O)[nH]c2c1CO[C@H]2C ZINC001227716023 1131728297 /nfs/dbraw/zinc/72/82/97/1131728297.db2.gz JANCTJKKSCXJBQ-RYUDHWBXSA-N 0 1 292.379 3.677 20 30 CHEDMN CN(C)c1ccc(/C=C\C=NOCCC(F)(F)F)cc1 ZINC000834973562 1131746250 /nfs/dbraw/zinc/74/62/50/1131746250.db2.gz YEYGRAAQFIINPI-OOXFSRIMSA-N 0 1 286.297 3.721 20 30 CHEDMN C=C[C@@H](Oc1[nH]c(=O)nc2sccc21)c1ccccc1 ZINC001227844889 1131749743 /nfs/dbraw/zinc/74/97/43/1131749743.db2.gz DIJPLAWPEQPEKP-GFCCVEGCSA-N 0 1 284.340 3.703 20 30 CHEDMN C#C[C@H]1CCC[N@@H+](Cc2ccccc2Oc2cccnc2)C1 ZINC000847026421 1131772633 /nfs/dbraw/zinc/77/26/33/1131772633.db2.gz PJDYUUXMNQIILM-INIZCTEOSA-N 0 1 292.382 3.719 20 30 CHEDMN C[C@@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1cncc(F)c1 ZINC000772960573 1131778213 /nfs/dbraw/zinc/77/82/13/1131778213.db2.gz TWCQSPUOTATQCN-QWHCGFSZSA-N 0 1 299.349 3.535 20 30 CHEDMN C=CCN(C)Cc1cc(F)c(C)c(Br)c1 ZINC001140554401 1131790874 /nfs/dbraw/zinc/79/08/74/1131790874.db2.gz CTIUQHCBHKKCDK-UHFFFAOYSA-N 0 1 272.161 3.514 20 30 CHEDMN C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccc2nc(C)[nH]c21 ZINC001147172363 1131812922 /nfs/dbraw/zinc/81/29/22/1131812922.db2.gz POCPWGDGDRRBMO-DZGCQCFKSA-N 0 1 297.402 3.736 20 30 CHEDMN CCCCCCCC[C@H](C)C(=O)N1CC[C@H](N2CCC2)C1 ZINC001148308134 1131849049 /nfs/dbraw/zinc/84/90/49/1131849049.db2.gz RWWPDIJWHSWUPC-IRXDYDNUSA-N 0 1 294.483 3.680 20 30 CHEDMN Cc1nc2ccc(O[C@H](C)CC(C)(C)S)cc2[nH]1 ZINC001228329538 1131858414 /nfs/dbraw/zinc/85/84/14/1131858414.db2.gz NAMLJIBNNXCCDD-SECBINFHSA-N 0 1 264.394 3.737 20 30 CHEDMN CC(C)(C)CCCC(=O)C(C#N)C(=O)Nc1ccccc1 ZINC000103638553 1131860869 /nfs/dbraw/zinc/86/08/69/1131860869.db2.gz KADVNAMGQGYJSM-CQSZACIVSA-N 0 1 286.375 3.550 20 30 CHEDMN CC[C@H]1CCCCN1Cc1cc(F)c(C#N)c(F)c1 ZINC001140754620 1131907492 /nfs/dbraw/zinc/90/74/92/1131907492.db2.gz FELWFVYCWDZXOX-LBPRGKRZSA-N 0 1 264.319 3.601 20 30 CHEDMN N#Cc1ccc2c(c1)CCN(Cc1coc3ccccc13)C2 ZINC001140782781 1131916603 /nfs/dbraw/zinc/91/66/03/1131916603.db2.gz VOQXUTMHSUEXAD-UHFFFAOYSA-N 0 1 288.350 3.863 20 30 CHEDMN CN(Cc1ccc(C#N)cc1)Cc1cc(O)cc(Cl)c1 ZINC001140794203 1131921398 /nfs/dbraw/zinc/92/13/98/1131921398.db2.gz BOJRMYFDRPEGNX-UHFFFAOYSA-N 0 1 286.762 3.549 20 30 CHEDMN C=CCOc1ccccc1[C@@H](C)Nc1cccc2[nH]nnc21 ZINC001171374357 1131930077 /nfs/dbraw/zinc/93/00/77/1131930077.db2.gz QJOOKYVZXZCXTP-GFCCVEGCSA-N 0 1 294.358 3.696 20 30 CHEDMN C=CCOc1ccccc1[C@@H](C)Oc1ccc2[nH]nnc2c1 ZINC001228662664 1131930083 /nfs/dbraw/zinc/93/00/83/1131930083.db2.gz JVUYKNLLTOWVHR-GFCCVEGCSA-N 0 1 295.342 3.663 20 30 CHEDMN CN(CCc1ccccc1)Cc1cccc(C#N)c1Cl ZINC001140806511 1131930207 /nfs/dbraw/zinc/93/02/07/1131930207.db2.gz LGVFTLPCHXHUPX-UHFFFAOYSA-N 0 1 284.790 3.886 20 30 CHEDMN C[C@@H]1C[C@@H](C)CCN1Cc1cccc(C#N)c1Cl ZINC001140809993 1131931907 /nfs/dbraw/zinc/93/19/07/1131931907.db2.gz PVZIQYHMKWQNGF-NWDGAFQWSA-N 0 1 262.784 3.832 20 30 CHEDMN N#Cc1cccc(CN2C[C@H]3[C@H](CCC3(F)F)C2)c1Cl ZINC001140810877 1131933141 /nfs/dbraw/zinc/93/31/41/1131933141.db2.gz CXDBRGJZHJEVTN-YPMHNXCESA-N 0 1 296.748 3.689 20 30 CHEDMN C#CC[C@@H](N[C@@H](C)c1ccc(F)cn1)c1ccccc1 ZINC000773114382 1131948776 /nfs/dbraw/zinc/94/87/76/1131948776.db2.gz IZGFHHURPHFSFX-SUMWQHHRSA-N 0 1 268.335 3.636 20 30 CHEDMN COc1cc(/C=C/C(=O)c2ccccc2O)ccc1C ZINC000773144061 1131961707 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1132520621 /nfs/dbraw/zinc/52/06/21/1132520621.db2.gz RDCZDNFYVBJBRF-UHFFFAOYSA-N 0 1 283.400 3.660 20 30 CHEDMN CCCC1CCN(Cc2ccc(C)cc2C#N)CC1 ZINC001232965911 1132549447 /nfs/dbraw/zinc/54/94/47/1132549447.db2.gz AVZKLMULGJFOJP-UHFFFAOYSA-N 0 1 256.393 3.879 20 30 CHEDMN CC(C)c1cccc(C(=O)Nc2cc(C#N)ccc2O)c1 ZINC001153000475 1132589898 /nfs/dbraw/zinc/58/98/98/1132589898.db2.gz UJDOKWJNHSOAFH-UHFFFAOYSA-N 0 1 280.327 3.640 20 30 CHEDMN CCN1CCCC[C@@H]1c1ccc(N=C(C)CC(C)=O)nc1 ZINC001155893095 1132669139 /nfs/dbraw/zinc/66/91/39/1132669139.db2.gz UPKBWCLGGNKIFW-DVFVSVACSA-N 0 1 287.407 3.533 20 30 CHEDMN CCN1CCCC[C@@H]1c1ccc(NC(C)=CC(C)=O)nc1 ZINC001155893095 1132669144 /nfs/dbraw/zinc/66/91/44/1132669144.db2.gz UPKBWCLGGNKIFW-DVFVSVACSA-N 0 1 287.407 3.533 20 30 CHEDMN CC(=O)CC(C)=Nc1nc(C2CCC2)nc(Cl)c1C ZINC001155891855 1132669219 /nfs/dbraw/zinc/66/92/19/1132669219.db2.gz DIQJYXISRLQZIR-FPLPWBNLSA-N 0 1 279.771 3.611 20 30 CHEDMN N#Cc1ccc(Cl)c(Nc2ccc3nccn3c2)c1 ZINC001174279339 1132770403 /nfs/dbraw/zinc/77/04/03/1132770403.db2.gz UIIPOLHWQTWCMY-UHFFFAOYSA-N 0 1 268.707 3.603 20 30 CHEDMN C=C(C)c1cccc(NC(=O)[C@@H]2CCCCN2CCC)c1 ZINC001158610557 1132786780 /nfs/dbraw/zinc/78/67/80/1132786780.db2.gz ZJHOCADPACUHTC-KRWDZBQOSA-N 0 1 286.419 3.923 20 30 CHEDMN CC(C)(C#N)c1ccc(Nc2cccc3[nH]ncc32)cn1 ZINC001174342557 1132800084 /nfs/dbraw/zinc/80/00/84/1132800084.db2.gz BTVZHVYMAXQXIU-UHFFFAOYSA-N 0 1 277.331 3.503 20 30 CHEDMN N#Cc1ccc(Nc2ccc3c[nH]nc3c2)c(F)c1Cl ZINC001174500188 1132861345 /nfs/dbraw/zinc/86/13/45/1132861345.db2.gz DIIFSSCVUZVRGD-UHFFFAOYSA-N 0 1 286.697 3.971 20 30 CHEDMN C=CC[C@H](C)Sc1nc(-c2ccccc2F)n[nH]1 ZINC001164489883 1133221145 /nfs/dbraw/zinc/22/11/45/1133221145.db2.gz XINUHMLANXECGN-VIFPVBQESA-N 0 1 263.341 3.668 20 30 CHEDMN CC(C)(O)C=CNc1oc(-c2ccccc2)cc1C#N ZINC001203210911 1133305221 /nfs/dbraw/zinc/30/52/21/1133305221.db2.gz KYRNNGQFFAMMMR-CMDGGOBGSA-N 0 1 268.316 3.515 20 30 CHEDMN C=CCN(Cc1ccccc1)Cc1cc(OC)cc(OC)c1 ZINC001203857713 1133376394 /nfs/dbraw/zinc/37/63/94/1133376394.db2.gz KTWLASWYSMHYBI-UHFFFAOYSA-N 0 1 297.398 3.892 20 30 CHEDMN N#Cc1ccc(CN2CCSc3ccccc3C2)cc1 ZINC001203906757 1133382654 /nfs/dbraw/zinc/38/26/54/1133382654.db2.gz YENYPGAMBYMRBL-UHFFFAOYSA-N 0 1 280.396 3.666 20 30 CHEDMN C=CCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1 ZINC001204303980 1133432165 /nfs/dbraw/zinc/43/21/65/1133432165.db2.gz WZLLBCTVCYRGTI-OSYLJGHBSA-N 0 1 282.387 3.518 20 30 CHEDMN Cc1cccc(CN(CCC#N)C2CCCC2)c1C ZINC001205083955 1133525074 /nfs/dbraw/zinc/52/50/74/1133525074.db2.gz UKWFEOHWZIKFHA-UHFFFAOYSA-N 0 1 256.393 3.962 20 30 CHEDMN CC[C@@H]1Cc2ccccc2CN1Cc1csc(C#N)c1 ZINC001205253335 1133550278 /nfs/dbraw/zinc/55/02/78/1133550278.db2.gz HSBHJFRPASNJHO-MRXNPFEDSA-N 0 1 282.412 3.957 20 30 CHEDMN C#C[C@@H](CC)NCc1ccc(-c2ccccc2)cc1OC ZINC001205714151 1133605269 /nfs/dbraw/zinc/60/52/69/1133605269.db2.gz TWKVZTLVRWESII-SFHVURJKSA-N 0 1 279.383 3.864 20 30 CHEDMN Cc1c(Cl)ccc(-c2cc3[nH]cnc3c(C#N)n2)c1F ZINC001206267086 1133679329 /nfs/dbraw/zinc/67/93/29/1133679329.db2.gz XWOXRBIGBGKWFZ-UHFFFAOYSA-N 0 1 286.697 3.598 20 30 CHEDMN C#CCCCN1Cc2cc(Br)ccc2C[C@H]1C ZINC001209268431 1133999045 /nfs/dbraw/zinc/99/90/45/1133999045.db2.gz IPXANXPNPWRDMQ-GFCCVEGCSA-N 0 1 292.220 3.609 20 30 CHEDMN C#CCCCN1[C@@H](c2ccccc2)CCC[C@H]1C(=O)OCC ZINC001209267594 1134000465 /nfs/dbraw/zinc/00/04/65/1134000465.db2.gz JYLYWHYUPJLYJD-MSOLQXFVSA-N 0 1 299.414 3.559 20 30 CHEDMN C=CCCCCCN1CCc2cccc(C(=O)OC)c2C1 ZINC001209433476 1134018451 /nfs/dbraw/zinc/01/84/51/1134018451.db2.gz YLKFLKHDVMJZBO-UHFFFAOYSA-N 0 1 287.403 3.578 20 30 CHEDMN C=CCCCCCCN1CCC[C@@H]1c1ncccn1 ZINC001209438940 1134019836 /nfs/dbraw/zinc/01/98/36/1134019836.db2.gz YTEMSSZWANOPHQ-OAHLLOKOSA-N 0 1 259.397 3.750 20 30 CHEDMN C=CCCCCCCCCN1CC(N2CC[C@H](F)C2)C1 ZINC001209446014 1134023619 /nfs/dbraw/zinc/02/36/19/1134023619.db2.gz OXPOTCHLYJFGCA-INIZCTEOSA-N 0 1 282.447 3.631 20 30 CHEDMN Cc1cc(N)ncc1Nc1cc(C#N)ccc1C(F)(F)F ZINC001209969830 1134112833 /nfs/dbraw/zinc/11/28/33/1134112833.db2.gz QZWOLIUSWVPEKL-UHFFFAOYSA-N 0 1 292.264 3.606 20 30 CHEDMN Cc1cc2[nH]ncc2cc1Nc1c(F)cc(F)cc1C#N ZINC001210106626 1134149188 /nfs/dbraw/zinc/14/91/88/1134149188.db2.gz VHRJZENIPJYYGS-UHFFFAOYSA-N 0 1 284.269 3.765 20 30 CHEDMN N#Cc1cc(Nc2cccc(F)c2Cl)c(O)cc1F ZINC001210543179 1134243464 /nfs/dbraw/zinc/24/34/64/1134243464.db2.gz CRVGBNMRZZFOAY-UHFFFAOYSA-N 0 1 280.661 3.939 20 30 CHEDMN N#Cc1cccnc1Nc1cc(Cl)c(O)c(Cl)c1 ZINC001210923239 1134327705 /nfs/dbraw/zinc/32/77/05/1134327705.db2.gz ONRJWBXUOFWFSA-UHFFFAOYSA-N 0 1 280.114 3.709 20 30 CHEDMN COc1ccc(Nc2cc(F)c(O)c(Cl)c2)cc1C#N ZINC001214488952 1134544224 /nfs/dbraw/zinc/54/42/24/1134544224.db2.gz QZMJCXPJPGBYDO-UHFFFAOYSA-N 0 1 292.697 3.809 20 30 CHEDMN Cc1cnc(Nc2c(Cl)ccc(O)c2F)c(C#N)c1 ZINC001214557562 1134550841 /nfs/dbraw/zinc/55/08/41/1134550841.db2.gz BOBSJYJXQZRWBO-UHFFFAOYSA-N 0 1 277.686 3.503 20 30 CHEDMN N#CCc1cccc(Nc2ccc(Cl)c(O)c2F)c1 ZINC001214804764 1134576647 /nfs/dbraw/zinc/57/66/47/1134576647.db2.gz YQCUICAGVJDVNB-UHFFFAOYSA-N 0 1 276.698 3.994 20 30 CHEDMN C#CCOc1ccc(Nc2ccc(C)c3[nH]ncc32)cc1 ZINC001215759176 1134677841 /nfs/dbraw/zinc/67/78/41/1134677841.db2.gz IKAARMAUHLGTAI-UHFFFAOYSA-N 0 1 277.327 3.627 20 30 CHEDMN Cc1ccc(Nc2ccc(C)c(C#N)c2)c2cn[nH]c21 ZINC001215758719 1134677912 /nfs/dbraw/zinc/67/79/12/1134677912.db2.gz VTNREXMGICUESM-UHFFFAOYSA-N 0 1 262.316 3.795 20 30 CHEDMN Cc1cc([C@@H](C)NCC#Cc2ccc(F)cc2)c(C)o1 ZINC000183781599 1134703046 /nfs/dbraw/zinc/70/30/46/1134703046.db2.gz PPSCRPZVLVQWAG-CYBMUJFWSA-N 0 1 271.335 3.738 20 30 CHEDMN CN(C)Cc1cccc(Nc2csc(C#N)c2)c1F ZINC001216228380 1134813245 /nfs/dbraw/zinc/81/32/45/1134813245.db2.gz CZGGAUIAAKDIKW-UHFFFAOYSA-N 0 1 275.352 3.564 20 30 CHEDMN C#Cc1cccc(Nc2cccc(CN(C)C)c2F)c1 ZINC001216231177 1134815156 /nfs/dbraw/zinc/81/51/56/1134815156.db2.gz UEJJCWKTQGUSGK-UHFFFAOYSA-N 0 1 268.335 3.612 20 30 CHEDMN CSc1ncc(C)cc1Nc1cc(C#N)c(F)cc1O ZINC001216243208 1134823102 /nfs/dbraw/zinc/82/31/02/1134823102.db2.gz KSTZUPANHMNLMW-UHFFFAOYSA-N 0 1 289.335 3.572 20 30 CHEDMN CCc1cc(Nc2cc(O)c(F)c(F)c2)ccc1C#N ZINC001216316645 1134850340 /nfs/dbraw/zinc/85/03/40/1134850340.db2.gz LDHPDKPKGGFKJC-UHFFFAOYSA-N 0 1 274.270 3.848 20 30 CHEDMN C[C@H](O/C(=N\O)c1ccc(Cl)cc1)c1ccncc1 ZINC001223594105 1135363983 /nfs/dbraw/zinc/36/39/83/1135363983.db2.gz SFUDJCDBLAHNHS-PXAAABLISA-N 0 1 276.723 3.649 20 30 CHEDMN CCCCCCCC[C@@H](CC)OCCN1CCN(C)CC1 ZINC001224550469 1135459792 /nfs/dbraw/zinc/45/97/92/1135459792.db2.gz VOLUTISEVKIUIU-GOSISDBHSA-N 0 1 298.515 3.780 20 30 CHEDMN CCC[C@H](Oc1nc2ccc(C#N)cc2[nH]1)C(C)C ZINC001227216428 1135801241 /nfs/dbraw/zinc/80/12/41/1135801241.db2.gz RQKOGIQLXKCNSC-AWEZNQCLSA-N 0 1 257.337 3.638 20 30 CHEDMN Cc1ccc2nc(=O)[nH]c(O[C@H](C)CC(C)(C)S)c2c1 ZINC001227345974 1135823810 /nfs/dbraw/zinc/82/38/10/1135823810.db2.gz GYEXVDSAKHTDIB-SNVBAGLBSA-N 0 1 292.404 3.510 20 30 CHEDMN CSc1ccc(F)cc1CNCc1ccc(C#N)cc1 ZINC000344735081 532971940 /nfs/dbraw/zinc/97/19/40/532971940.db2.gz ZTAGTMZVDXWJIX-UHFFFAOYSA-N 0 1 286.375 3.709 20 30 CHEDMN C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccccn1 ZINC000335844728 533523187 /nfs/dbraw/zinc/52/31/87/533523187.db2.gz SNZJFVGGTLPZHP-FZKQIMNGSA-N 0 1 277.371 3.681 20 30 CHEDMN C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccco1 ZINC000336615883 533523616 /nfs/dbraw/zinc/52/36/16/533523616.db2.gz LRSIAGQRFFMQPB-MLGOLLRUSA-N 0 1 266.344 3.879 20 30 CHEDMN COc1cccc(F)c1[C@H](C)N[C@H]1CCC[C@H](C#N)C1 ZINC000192904795 533574000 /nfs/dbraw/zinc/57/40/00/533574000.db2.gz DBXBNOVRBDYMOZ-AVGNSLFASA-N 0 1 276.355 3.567 20 30 CHEDMN C[C@H](N[C@H]1CCCc2occc21)c1ccc(C#N)cc1 ZINC000020204239 171069722 /nfs/dbraw/zinc/06/97/22/171069722.db2.gz YUPJCGFHVQHCGP-LRDDRELGSA-N 0 1 266.344 3.879 20 30 CHEDMN N#Cc1ccc(CN2CCC=C(c3ccco3)C2)cc1F ZINC000367158852 228147237 /nfs/dbraw/zinc/14/72/37/228147237.db2.gz UTKPXBIUNRGGOU-UHFFFAOYSA-N 0 1 282.318 3.580 20 30 CHEDMN C[C@H]1C[C@@H](C(F)(F)F)CCN1Cc1cc(C#N)cs1 ZINC000336228282 228218191 /nfs/dbraw/zinc/21/81/91/228218191.db2.gz WLZQGAGGTLKPMB-ONGXEEELSA-N 0 1 288.338 3.783 20 30 CHEDMN CC[N@@H+](Cc1ccccc1)Cc1cc(C#N)ccc1OC ZINC000130395066 260394799 /nfs/dbraw/zinc/39/47/99/260394799.db2.gz DTYGNVCXIIIDNZ-UHFFFAOYSA-N 0 1 280.371 3.589 20 30 CHEDMN CCN(Cc1ccccc1)Cc1cc(C#N)ccc1OC ZINC000130395066 260394800 /nfs/dbraw/zinc/39/48/00/260394800.db2.gz DTYGNVCXIIIDNZ-UHFFFAOYSA-N 0 1 280.371 3.589 20 30 CHEDMN C[C@H](N[C@H]1c2ccc(F)cc2O[C@H]1C)c1ccc(C#N)cc1 ZINC000367578860 260950200 /nfs/dbraw/zinc/95/02/00/260950200.db2.gz XNZLBNLDTUHBLL-OAVHHTNSSA-N 0 1 296.345 3.870 20 30 CHEDMN CCN(C[C@@H](C)C#N)C[C@H](C)c1cc(F)cc(F)c1 ZINC000449013090 261093015 /nfs/dbraw/zinc/09/30/15/261093015.db2.gz ATLFDVOAGNTOFN-RYUDHWBXSA-N 0 1 266.335 3.550 20 30 CHEDMN N#C[C@H]1CCC[C@@H](NCc2coc(-c3cccs3)n2)C1 ZINC000185799529 262072102 /nfs/dbraw/zinc/07/21/02/262072102.db2.gz GTPCTDUXOHRULM-NWDGAFQWSA-N 0 1 287.388 3.575 20 30 CHEDMN COc1cccc([C@H](C)NCc2cccc(C#N)c2F)c1 ZINC000221955809 262337145 /nfs/dbraw/zinc/33/71/45/262337145.db2.gz NLAWAZVJAMHCGJ-LBPRGKRZSA-N 0 1 284.334 3.557 20 30 CHEDMN COCC[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(C)o1 ZINC000272551492 263006459 /nfs/dbraw/zinc/00/64/59/263006459.db2.gz CZEMUNSONKSPGP-WMLDXEAASA-N 0 1 298.386 3.888 20 30 CHEDMN C=CCC1(c2nc([C@H](N)CC(C)C)no2)CCCCC1 ZINC000414628522 263016626 /nfs/dbraw/zinc/01/66/26/263016626.db2.gz SIBDHMVABOGAEZ-CYBMUJFWSA-N 0 1 277.412 3.894 20 30 CHEDMN C[C@@]1(c2ccccc2)CCCN(C[C@H](C#N)CCC#N)CC1 ZINC000285432198 263093021 /nfs/dbraw/zinc/09/30/21/263093021.db2.gz RENOXOAPVBLPPR-PKOBYXMFSA-N 0 1 295.430 3.874 20 30 CHEDMN C=C(CN[C@H](C)c1ccncc1F)c1ccccc1 ZINC000340206456 263093126 /nfs/dbraw/zinc/09/31/26/263093126.db2.gz NMBVYONDEBRXTG-CYBMUJFWSA-N 0 1 256.324 3.585 20 30 CHEDMN CC[C@@H](C/N=C/c1cc(Cl)cc(Cl)c1O)OC ZINC000290573312 263117580 /nfs/dbraw/zinc/11/75/80/263117580.db2.gz OPCLNVLZMAQLML-JFEKIERCSA-N 0 1 276.163 3.543 20 30 CHEDMN C[C@H](c1ccc(Cl)cc1)[N@@H+](CCOCCC#N)C1CC1 ZINC000292917414 263136581 /nfs/dbraw/zinc/13/65/81/263136581.db2.gz XQAAVILMLLRVFX-CYBMUJFWSA-N 0 1 292.810 3.796 20 30 CHEDMN Cc1nccnc1[C@H](C)N[C@H](CCCC#N)c1ccccc1 ZINC000340446437 263152683 /nfs/dbraw/zinc/15/26/83/263152683.db2.gz OOBCKDINSQQONP-DOTOQJQBSA-N 0 1 294.402 3.871 20 30 CHEDMN C[C@H](NCCOCCC#N)c1cc(Cl)ccc1Cl ZINC000294662376 263165764 /nfs/dbraw/zinc/16/57/64/263165764.db2.gz RHUYFWBVOZIGHE-JTQLQIEISA-N 0 1 287.190 3.574 20 30 CHEDMN C=CC(C)(C)C(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000294825677 263167957 /nfs/dbraw/zinc/16/79/57/263167957.db2.gz WQYDITSOADZMJV-CQSZACIVSA-N 0 1 299.374 3.565 20 30 CHEDMN C[C@@H](CCC#N)N[C@@H](C)c1ccc(Br)cc1F ZINC000298467467 263219987 /nfs/dbraw/zinc/21/99/87/263219987.db2.gz IKVSHKPYEGKYNH-UWVGGRQHSA-N 0 1 299.187 3.931 20 30 CHEDMN COc1ccc(F)cc1[C@H](C)NCc1cc(C#N)cs1 ZINC000093492392 265183252 /nfs/dbraw/zinc/18/32/52/265183252.db2.gz KNGRGTPWPVWXJV-JTQLQIEISA-N 0 1 290.363 3.618 20 30 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1129524601 /nfs/dbraw/zinc/52/46/01/1129524601.db2.gz ISWCLYLMMBDXAK-UHFFFAOYSA-N 0 1 292.285 3.515 20 30 CHEDMN CC(=NNc1cccc(F)c1F)c1cccs1 ZINC000743443756 1129524617 /nfs/dbraw/zinc/52/46/17/1129524617.db2.gz OZSJEAWPQADUPR-UHFFFAOYSA-N 0 1 252.289 3.862 20 30 CHEDMN CCOc1cccc(C(C)=NN=c2[nH]c3ccccc3[nH]2)c1 ZINC000743526299 1129529273 /nfs/dbraw/zinc/52/92/73/1129529273.db2.gz QOFWEEYRHYKSOW-UHFFFAOYSA-N 0 1 294.358 3.798 20 30 CHEDMN C=C(C)C[N@@H+](CC)Cc1cc(Br)ccc1[O-] ZINC000743872851 1129543086 /nfs/dbraw/zinc/54/30/86/1129543086.db2.gz BYUMDSFVVFYVRH-UHFFFAOYSA-N 0 1 284.197 3.553 20 30 CHEDMN C=C(C)C[N@H+](CC)Cc1cc(Br)ccc1[O-] ZINC000743872851 1129543090 /nfs/dbraw/zinc/54/30/90/1129543090.db2.gz BYUMDSFVVFYVRH-UHFFFAOYSA-N 0 1 284.197 3.553 20 30 CHEDMN CCCCCCCC(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000744741376 1129585281 /nfs/dbraw/zinc/58/52/81/1129585281.db2.gz GOOMAEXZXBZAMD-UHFFFAOYSA-N 0 1 287.407 3.848 20 30 CHEDMN Cc1cc(CN(C)[C@@H](C)c2cccc(C#N)c2)c(C)o1 ZINC000822525518 1131385344 /nfs/dbraw/zinc/38/53/44/1131385344.db2.gz HSNUNLLQBRJWQO-ZDUSSCGKSA-N 0 1 268.360 3.961 20 30 CHEDMN Cc1nc2cc(Nc3cc(F)cc(C#N)c3)ccc2[nH]1 ZINC001213073147 1129599920 /nfs/dbraw/zinc/59/99/20/1129599920.db2.gz GOPQJRBWOAOKKP-UHFFFAOYSA-N 0 1 266.279 3.626 20 30 CHEDMN C#CCN(Cc1ccccc1)[C@H](C)c1cccs1 ZINC000746156515 1129627902 /nfs/dbraw/zinc/62/79/02/1129627902.db2.gz LFIBRFVBSMZQTI-CQSZACIVSA-N 0 1 255.386 3.945 20 30 CHEDMN Cc1ccc2c(c1)[C@H](NCC1(C#N)CCC1)[C@@H](C)C2 ZINC000418141096 1129637699 /nfs/dbraw/zinc/63/76/99/1129637699.db2.gz KNPZZBJIUCNIIV-XJKSGUPXSA-N 0 1 254.377 3.512 20 30 CHEDMN N#Cc1ccc(OC(F)F)cc1-c1ccc(F)cc1O ZINC001242218802 1129690680 /nfs/dbraw/zinc/69/06/80/1129690680.db2.gz AQMYCJLIJNGOMY-UHFFFAOYSA-N 0 1 279.217 3.671 20 30 CHEDMN CCN(CCC#N)[C@@H](Cc1ccccc1)CC(C)C ZINC001169077370 1129697927 /nfs/dbraw/zinc/69/79/27/1129697927.db2.gz FVWJMCPMHFEZQC-QGZVFWFLSA-N 0 1 258.409 3.879 20 30 CHEDMN N#Cc1cc2cccnc2nc1Nc1ccc(Cl)c(O)c1 ZINC001212587946 1129715141 /nfs/dbraw/zinc/71/51/41/1129715141.db2.gz BNMXNAHLFDXRKC-UHFFFAOYSA-N 0 1 296.717 3.604 20 30 CHEDMN C=CCN(C)Cc1cc(=O)oc2cc(C)c(C(C)C)cc12 ZINC000121345164 1129719877 /nfs/dbraw/zinc/71/98/77/1129719877.db2.gz PSVNNIHTASVMLI-UHFFFAOYSA-N 0 1 285.387 3.843 20 30 CHEDMN CCCCCCCC[C@@H](CCC)N[C@@]1(C#N)CCNC1 ZINC001246197702 1131393487 /nfs/dbraw/zinc/39/34/87/1131393487.db2.gz RDBGVCQVOJJYND-IAGOWNOFSA-N 0 1 279.472 3.751 20 30 CHEDMN O/N=C/c1ccc(-c2c(F)cccc2F)cc1F ZINC001239575669 1131394361 /nfs/dbraw/zinc/39/43/61/1131394361.db2.gz LNZHXHFQQJENSX-REZTVBANSA-N 0 1 251.207 3.579 20 30 CHEDMN Cc1cnc(NC23CCC(C#N)(CC2)CC3)c2[nH]ccc21 ZINC001169746243 1129752057 /nfs/dbraw/zinc/75/20/57/1129752057.db2.gz AXIGQLDJQWOATH-UHFFFAOYSA-N 0 1 280.375 3.900 20 30 CHEDMN C#CCCCN1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000766906584 1129770836 /nfs/dbraw/zinc/77/08/36/1129770836.db2.gz RSPPWYMYMOTDKX-OAHLLOKOSA-N 0 1 279.836 3.843 20 30 CHEDMN C#CCC(C)(C)C(=O)Nc1ccc2nc(CCCC)[nH]c2c1 ZINC000767078672 1129775797 /nfs/dbraw/zinc/77/57/97/1129775797.db2.gz RVTMGJLJRBXQGN-UHFFFAOYSA-N 0 1 297.402 3.894 20 30 CHEDMN C[C@@H]1CN(Cc2cc(C#N)cs2)Cc2ccccc21 ZINC000768196560 1129841906 /nfs/dbraw/zinc/84/19/06/1129841906.db2.gz REVVBEKEXTVLFP-GFCCVEGCSA-N 0 1 268.385 3.739 20 30 CHEDMN CC(C)(C#N)CCCCOC(=O)c1c(F)cc(O)cc1F ZINC000768718841 1129870435 /nfs/dbraw/zinc/87/04/35/1129870435.db2.gz ZMMPPIJCYBCSEU-UHFFFAOYSA-N 0 1 297.301 3.547 20 30 CHEDMN C[C@H]1Cc2ccccc2C1N=Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000769821936 1129924468 /nfs/dbraw/zinc/92/44/68/1129924468.db2.gz KQFKWZGBIGJSDS-JTQLQIEISA-N 0 1 299.305 3.742 20 30 CHEDMN CCSc1cccc(CN=Nc2ccc(C)cn2)c1 ZINC000769781689 1129924812 /nfs/dbraw/zinc/92/48/12/1129924812.db2.gz KIJZJJCPDOAQGY-UHFFFAOYSA-N 0 1 271.389 3.948 20 30 CHEDMN Cc1cccc(F)c1N=NC(C)c1ccc(C#N)cc1 ZINC000769839661 1129927895 /nfs/dbraw/zinc/92/78/95/1129927895.db2.gz FNYMQYHMHVUGGT-UHFFFAOYSA-N 0 1 267.307 3.842 20 30 CHEDMN Cc1cccc(CN(CCO[C@@H](C)C#N)Cc2ccco2)c1 ZINC000801930030 1129960842 /nfs/dbraw/zinc/96/08/42/1129960842.db2.gz CEOIHQBMMSROGO-INIZCTEOSA-N 0 1 298.386 3.519 20 30 CHEDMN C[C@H](C#N)OCCN[C@@H](C)c1cc(Cl)ccc1Cl ZINC000801937257 1129961964 /nfs/dbraw/zinc/96/19/64/1129961964.db2.gz ILPOEJXSYOFZTC-ZJUUUORDSA-N 0 1 287.190 3.573 20 30 CHEDMN C[C@@H](C#N)OCCN1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000801951579 1129963624 /nfs/dbraw/zinc/96/36/24/1129963624.db2.gz XALHTUFZBWGUGY-XJKSGUPXSA-N 0 1 292.810 3.796 20 30 CHEDMN CC(C)(C)c1cnc(C(C#N)C(=O)C=Cc2ccc[nH]2)s1 ZINC000802249615 1129986072 /nfs/dbraw/zinc/98/60/72/1129986072.db2.gz CJLIFQWHBFIBQR-SYTKJHMZSA-N 0 1 299.399 3.658 20 30 CHEDMN CC(C)(C)c1cnc([C@@H](C#N)C(=O)C=Cc2ccc[nH]2)s1 ZINC000802249615 1129986075 /nfs/dbraw/zinc/98/60/75/1129986075.db2.gz CJLIFQWHBFIBQR-SYTKJHMZSA-N 0 1 299.399 3.658 20 30 CHEDMN C#CCN(Cc1cccc(O)c1)[C@H]1CCc2ccccc21 ZINC000772598355 1130031873 /nfs/dbraw/zinc/03/18/73/1130031873.db2.gz LDYDPROZJKRIIS-IBGZPJMESA-N 0 1 277.367 3.515 20 30 CHEDMN C#CCN(Cc1cccc(O)c1)[C@@H]1CCc2ccccc21 ZINC000772598387 1130031960 /nfs/dbraw/zinc/03/19/60/1130031960.db2.gz LDYDPROZJKRIIS-LJQANCHMSA-N 0 1 277.367 3.515 20 30 CHEDMN C#CC[C@@H](NCc1scnc1C1CC1)c1ccccc1 ZINC000785502422 1130037234 /nfs/dbraw/zinc/03/72/34/1130037234.db2.gz GWQDGMURKDLKFN-OAHLLOKOSA-N 0 1 282.412 3.875 20 30 CHEDMN N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000785617302 1130045283 /nfs/dbraw/zinc/04/52/83/1130045283.db2.gz KXTKZJYBMJJVJP-INIZCTEOSA-N 0 1 298.773 3.694 20 30 CHEDMN CCOc1cccc([C@@H](C)N[C@H](C)c2cc(C#N)ccn2)c1 ZINC000902780697 1130056836 /nfs/dbraw/zinc/05/68/36/1130056836.db2.gz OMSGNEPQUOSVKN-ZIAGYGMSSA-N 0 1 295.386 3.764 20 30 CHEDMN Cc1cc(C)cc([C@H](C)N[C@H](C)c2cc(C#N)ccn2)c1 ZINC000902796799 1130060569 /nfs/dbraw/zinc/06/05/69/1130060569.db2.gz VIOZQTYCQLOUDX-LSDHHAIUSA-N 0 1 279.387 3.982 20 30 CHEDMN c1cc2c(ncnc2N=NCc2coc3ccccc23)s1 ZINC000746563536 1130066336 /nfs/dbraw/zinc/06/63/36/1130066336.db2.gz FKPZRICRXQKVCP-UHFFFAOYSA-N 0 1 294.339 3.884 20 30 CHEDMN CC[C@@H](NCc1ccc(Cl)cn1)c1cccc(C#N)c1 ZINC000902897844 1130079806 /nfs/dbraw/zinc/07/98/06/1130079806.db2.gz VIPCBXBDTJOCNZ-MRXNPFEDSA-N 0 1 285.778 3.848 20 30 CHEDMN C[C@H](N[C@@H]1CCCc2sccc21)c1cc(C#N)ccn1 ZINC000902957413 1130090593 /nfs/dbraw/zinc/09/05/93/1130090593.db2.gz RVKRULZMCJKOGF-SMDDNHRTSA-N 0 1 283.400 3.743 20 30 CHEDMN CC[C@H](NCc1occc1C)c1cccc(C#N)c1 ZINC000903000241 1130098210 /nfs/dbraw/zinc/09/82/10/1130098210.db2.gz VXCRHEIFVXSEEU-HNNXBMFYSA-N 0 1 254.333 3.701 20 30 CHEDMN C[C@H](NCC1(C#N)CCC1)c1cc2c(cc1O)CCCC2 ZINC000903031092 1130102259 /nfs/dbraw/zinc/10/22/59/1130102259.db2.gz BFTRWBVXQZALLR-ZDUSSCGKSA-N 0 1 284.403 3.615 20 30 CHEDMN C[C@@H](N[C@H]1CCc2ccc(Cl)cc21)c1cc(C#N)ccn1 ZINC000903072636 1130108651 /nfs/dbraw/zinc/10/86/51/1130108651.db2.gz OJRWXEOHVJCPON-BZNIZROVSA-N 0 1 297.789 3.945 20 30 CHEDMN CC(C)C[C@H](NCC1(C#N)CC1)c1ccc(F)cc1 ZINC000903106796 1130113733 /nfs/dbraw/zinc/11/37/33/1130113733.db2.gz VRJXMXVKNUEFND-HNNXBMFYSA-N 0 1 260.356 3.806 20 30 CHEDMN Cc1ccc([C@H](NCC2(C#N)CC2)C2CCC2)cc1 ZINC000903105518 1130113808 /nfs/dbraw/zinc/11/38/08/1130113808.db2.gz DDSQQLIAVNSXPZ-MRXNPFEDSA-N 0 1 254.377 3.730 20 30 CHEDMN CC[C@@H](NCC1(C#N)CCCC1)c1cccc(C#N)c1 ZINC000903108351 1130114913 /nfs/dbraw/zinc/11/49/13/1130114913.db2.gz AFEBSRWETCGCJA-MRXNPFEDSA-N 0 1 267.376 3.683 20 30 CHEDMN C=C(Cl)CN[C@H](c1ccccc1F)C1CCOCC1 ZINC000903122524 1130116660 /nfs/dbraw/zinc/11/66/60/1130116660.db2.gz ZLLXCWDRUMVUON-HNNXBMFYSA-N 0 1 283.774 3.636 20 30 CHEDMN N#Cc1ccc(CN[C@H](c2ccccn2)C2CC2)cc1Cl ZINC000903167018 1130122566 /nfs/dbraw/zinc/12/25/66/1130122566.db2.gz VUOLDPMOJPMRDX-KRWDZBQOSA-N 0 1 297.789 3.848 20 30 CHEDMN C=C(Cl)CN(CCC)Cc1ccc(OC)cc1 ZINC000746653798 1130135397 /nfs/dbraw/zinc/13/53/97/1130135397.db2.gz WELHXPOBEBVMSA-UHFFFAOYSA-N 0 1 253.773 3.660 20 30 CHEDMN CC1(C#N)CCC(N[C@@H]2c3ccccc3OC[C@@H]2F)CC1 ZINC000903265997 1130140663 /nfs/dbraw/zinc/14/06/63/1130140663.db2.gz ISCCYXZOGVFNJL-ORTQGIPQSA-N 0 1 288.366 3.520 20 30 CHEDMN CC(C)(C)c1cc(CNCCC#N)c(O)c(C(C)(C)C)c1 ZINC000787300787 1130146256 /nfs/dbraw/zinc/14/62/56/1130146256.db2.gz WWTNOAWCZJEHNC-UHFFFAOYSA-N 0 1 288.435 3.990 20 30 CHEDMN CC(=NNc1ccc2ccccc2n1)c1cnn(C(C)C)c1 ZINC000746680110 1130147859 /nfs/dbraw/zinc/14/78/59/1130147859.db2.gz XTNITKHVHOFDQC-UHFFFAOYSA-N 0 1 293.374 3.848 20 30 CHEDMN CCCCCCCC[C@H](CO)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000903318154 1130153616 /nfs/dbraw/zinc/15/36/16/1130153616.db2.gz ILQFJPIVZHYURY-BZUAXINKSA-N 0 1 293.455 3.590 20 30 CHEDMN C[C@H](N[C@H](c1ccccn1)C1CC1)c1ccc(C#N)cc1 ZINC000903337508 1130161702 /nfs/dbraw/zinc/16/17/02/1130161702.db2.gz DIKYDOKQSJXOOH-UGSOOPFHSA-N 0 1 277.371 3.755 20 30 CHEDMN C#CCn1ccc(CN(CC)CC[C@@H]2CCC[C@H](C)C2)n1 ZINC000789328508 1130245187 /nfs/dbraw/zinc/24/51/87/1130245187.db2.gz ARLQQSUUOFPZCC-IRXDYDNUSA-N 0 1 287.451 3.555 20 30 CHEDMN Cc1cccnc1N=NCc1cccc(C(F)(F)F)c1 ZINC000790185627 1130294740 /nfs/dbraw/zinc/29/47/40/1130294740.db2.gz IEBYOCIZFLUQQT-UHFFFAOYSA-N 0 1 279.265 3.855 20 30 CHEDMN CC(=NNc1ncccc1C)c1ccccc1Cl ZINC000790193126 1130297052 /nfs/dbraw/zinc/29/70/52/1130297052.db2.gz UWURUZYUYJOYIV-UHFFFAOYSA-N 0 1 259.740 3.880 20 30 CHEDMN Cc1cccnc1NN=Cc1ccccc1OC(C)C ZINC000790191021 1130297181 /nfs/dbraw/zinc/29/71/81/1130297181.db2.gz PCOOUOLEXKCURC-UHFFFAOYSA-N 0 1 269.348 3.623 20 30 CHEDMN COc1cc(CN=Nc2ncccc2C)ccc1SC ZINC000790192945 1130297317 /nfs/dbraw/zinc/29/73/17/1130297317.db2.gz KYUHLIQCXHGJEF-UHFFFAOYSA-N 0 1 287.388 3.567 20 30 CHEDMN CCC#C[C@H](C)N(C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000677477446 1130312466 /nfs/dbraw/zinc/31/24/66/1130312466.db2.gz GQCLVTZBIGETLW-LBPRGKRZSA-N 0 1 297.345 3.530 20 30 CHEDMN Oc1c(Cl)cc(Cl)cc1/C=N\C[C@@H]1CCSC1 ZINC000790598513 1130321351 /nfs/dbraw/zinc/32/13/51/1130321351.db2.gz NMXQNYPZWHSUBK-ZAAMMXGNSA-N 0 1 290.215 3.871 20 30 CHEDMN N#Cc1c[nH]c2ccnc(-c3cccc(N4CCCC4)c3)c12 ZINC001240534533 1130347296 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1 279.387 3.749 20 30 CHEDMN N#C[C@H](c1ccccc1)[C@H]1CCCN1CCC[C@@H]1CCOC1 ZINC000592071182 1127334361 /nfs/dbraw/zinc/33/43/61/1127334361.db2.gz CARJPNNGHAHDHV-BHIYHBOVSA-N 0 1 298.430 3.575 20 30 CHEDMN C[C@@]1(Cc2cccc(F)c2)CCCN1CC1(C#N)CC1 ZINC000592138573 1127336933 /nfs/dbraw/zinc/33/69/33/1127336933.db2.gz YIAHYELEVMKQLC-INIZCTEOSA-N 0 1 272.367 3.526 20 30 CHEDMN N#Cc1ccc(F)c(CNc2ccnc3cc(F)ccc32)c1 ZINC000078474807 1127354929 /nfs/dbraw/zinc/35/49/29/1127354929.db2.gz WVVQGLBLNKMPGS-UHFFFAOYSA-N 0 1 295.292 3.997 20 30 CHEDMN C=C(C)C[C@H](C)c1nc(Cc2nc3cccc(C)c3[nH]2)no1 ZINC000288980855 1127369602 /nfs/dbraw/zinc/36/96/02/1127369602.db2.gz IIQPMFXYPCTXLM-LBPRGKRZSA-N 0 1 296.374 3.915 20 30 CHEDMN N#CC1(CNCc2ccc3occc3c2)CCCC1 ZINC000593654367 1127394455 /nfs/dbraw/zinc/39/44/55/1127394455.db2.gz BFMWBVBGUFLEHB-UHFFFAOYSA-N 0 1 254.333 3.606 20 30 CHEDMN CC(C)(C)c1ccc2c(c1)CN(CCCC#N)CC2 ZINC000358059678 1127399328 /nfs/dbraw/zinc/39/93/28/1127399328.db2.gz IWDRGWKEQFIKLN-UHFFFAOYSA-N 0 1 256.393 3.646 20 30 CHEDMN CC(C)(C#N)CCCN[C@@H](Cc1ccccc1)c1ncco1 ZINC000594056748 1127406787 /nfs/dbraw/zinc/40/67/87/1127406787.db2.gz WJQCPWYPKMFFHP-INIZCTEOSA-N 0 1 297.402 3.878 20 30 CHEDMN CC[C@@H](CC#N)NCc1cccc(-c2ccncc2)c1 ZINC000358258756 1127411372 /nfs/dbraw/zinc/41/13/72/1127411372.db2.gz RAIGHHSYZHLMCP-KRWDZBQOSA-N 0 1 265.360 3.530 20 30 CHEDMN CCOc1ccccc1CN(C)Cc1ccc(C#N)cc1 ZINC000046527527 1127412937 /nfs/dbraw/zinc/41/29/37/1127412937.db2.gz DHUHFGPEBOGOHL-UHFFFAOYSA-N 0 1 280.371 3.589 20 30 CHEDMN CC(C)(C#N)c1ccc(CNCC2(C#N)CCCC2)cc1 ZINC000594606643 1127425595 /nfs/dbraw/zinc/42/55/95/1127425595.db2.gz MUQRWJMKMVVDQU-UHFFFAOYSA-N 0 1 281.403 3.661 20 30 CHEDMN N#Cc1ccc2c(c1)CN(C[C@@H]1C[C@@H]1c1ccccc1)C2 ZINC000594615168 1127426239 /nfs/dbraw/zinc/42/62/39/1127426239.db2.gz SJXHHIXBQHRRDU-RBUKOAKNSA-N 0 1 274.367 3.678 20 30 CHEDMN N#Cc1ccc(CNCc2cccc(OC3CC3)c2F)cc1 ZINC000594926914 1127435429 /nfs/dbraw/zinc/43/54/29/1127435429.db2.gz XTYSABUABONRGB-UHFFFAOYSA-N 0 1 296.345 3.528 20 30 CHEDMN C=C(CC)C[N@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[n-]1 ZINC000358882133 1127437126 /nfs/dbraw/zinc/43/71/26/1127437126.db2.gz DROIGGLZSNRKPV-OAHLLOKOSA-N 0 1 282.391 3.575 20 30 CHEDMN COc1ccsc1CNC(C)(C)c1cccc(C#N)c1 ZINC000594970269 1127437278 /nfs/dbraw/zinc/43/72/78/1127437278.db2.gz WQBNLFVVJONTPH-UHFFFAOYSA-N 0 1 286.400 3.653 20 30 CHEDMN C=CCOc1ccc(CNCC2(C#N)CCCCC2)cc1 ZINC000594994786 1127444376 /nfs/dbraw/zinc/44/43/76/1127444376.db2.gz LKYXALWJTZSTCP-UHFFFAOYSA-N 0 1 284.403 3.815 20 30 CHEDMN COc1ccc([C@@H](C)NCC2(C#N)CCCCC2)cc1 ZINC000595100446 1127452546 /nfs/dbraw/zinc/45/25/46/1127452546.db2.gz VWDPBFXYIVJIRG-CQSZACIVSA-N 0 1 272.392 3.820 20 30 CHEDMN Cc1nc2c(s1)[C@H](NCC1(C#N)CCCCC1)CCC2 ZINC000595090678 1127454122 /nfs/dbraw/zinc/45/41/22/1127454122.db2.gz KTOIEJGGTZZDFK-CYBMUJFWSA-N 0 1 289.448 3.893 20 30 CHEDMN N#CC1(CN[C@H]2CCc3cc(F)ccc32)CCCCC1 ZINC000595091599 1127454221 /nfs/dbraw/zinc/45/42/21/1127454221.db2.gz RXSZIIIUFFBNTA-INIZCTEOSA-N 0 1 272.367 3.877 20 30 CHEDMN CC(C)[C@@H](NCC1(C#N)CCCCC1)c1cccnc1 ZINC000595092097 1127454911 /nfs/dbraw/zinc/45/49/11/1127454911.db2.gz WQMIZAKRPVIYTQ-MRXNPFEDSA-N 0 1 271.408 3.842 20 30 CHEDMN CN(CC[C@H]1CCc2ccccc21)CC(C)(C)C#N ZINC000595502896 1127464213 /nfs/dbraw/zinc/46/42/13/1127464213.db2.gz XELRBGFTSVCPJE-OAHLLOKOSA-N 0 1 256.393 3.588 20 30 CHEDMN N#CC[C@@H]1CCCN([C@@H]2CCc3c2cccc3Cl)C1 ZINC000595621380 1127468415 /nfs/dbraw/zinc/46/84/15/1127468415.db2.gz UFURIQGPYRLRGV-BLLLJJGKSA-N 0 1 274.795 3.953 20 30 CHEDMN C[C@H]1CC[C@]2(CCN(Cc3cc(F)ccc3C#N)C2)C1 ZINC000359538235 1127467306 /nfs/dbraw/zinc/46/73/06/1127467306.db2.gz ARNJUBCZGXSRHL-GUYCJALGSA-N 0 1 272.367 3.709 20 30 CHEDMN N#CC[C@@H]1CCCN(CCCc2c(F)cccc2F)C1 ZINC000595623330 1127468773 /nfs/dbraw/zinc/46/87/73/1127468773.db2.gz NFZGIKRIDQZZPX-ZDUSSCGKSA-N 0 1 278.346 3.523 20 30 CHEDMN N#CC[C@H]1CCCN(CCSc2ccccc2F)C1 ZINC000595611569 1127469938 /nfs/dbraw/zinc/46/99/38/1127469938.db2.gz LIDGYGDPWMKYGR-CYBMUJFWSA-N 0 1 278.396 3.543 20 30 CHEDMN CCC(C)(C)[C@@H](C)NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000595639653 1127471255 /nfs/dbraw/zinc/47/12/55/1127471255.db2.gz VWFRQMDFIMBMBV-GFCCVEGCSA-N 0 1 298.390 3.523 20 30 CHEDMN C[C@@H](CCC#N)N1CCc2nc(-c3ccccc3)sc2C1 ZINC000595710598 1127473527 /nfs/dbraw/zinc/47/35/27/1127473527.db2.gz AHLGHSQYEHVOBV-ZDUSSCGKSA-N 0 1 297.427 3.860 20 30 CHEDMN Cc1ccc(-c2ccc(F)c(CN(C)C)c2)cc1CC#N ZINC000596647022 1127514294 /nfs/dbraw/zinc/51/42/94/1127514294.db2.gz VGWJWOSIERFTDN-UHFFFAOYSA-N 0 1 282.362 3.929 20 30 CHEDMN CC(C)c1nc(CN[C@@H]2CCCC[C@H]2C#N)c2ccccn21 ZINC000597195486 1127531775 /nfs/dbraw/zinc/53/17/75/1127531775.db2.gz JAGNCAZODQKQFU-LSDHHAIUSA-N 0 1 296.418 3.630 20 30 CHEDMN C[C@@H](CN1CCC[C@H](CC#N)C1)c1cc(F)cc(F)c1 ZINC000597176686 1127532353 /nfs/dbraw/zinc/53/23/53/1127532353.db2.gz JGYBAHUCIOKDET-QWHCGFSZSA-N 0 1 278.346 3.694 20 30 CHEDMN C[C@@H](CN1CCC[C@@H](CC#N)C1)c1cc(F)cc(F)c1 ZINC000597176688 1127532367 /nfs/dbraw/zinc/53/23/67/1127532367.db2.gz JGYBAHUCIOKDET-STQMWFEESA-N 0 1 278.346 3.694 20 30 CHEDMN Cc1cc(CN2CCC[C@H](CC#N)C2)ccc1Cl ZINC000597175818 1127532443 /nfs/dbraw/zinc/53/24/43/1127532443.db2.gz FBWBSDPVLUALGP-CYBMUJFWSA-N 0 1 262.784 3.774 20 30 CHEDMN C=CCN(Cc1cc(-c2ccncc2)ccc1OC)C1CC1 ZINC000361170456 1127544168 /nfs/dbraw/zinc/54/41/68/1127544168.db2.gz YOVWLRVSSZNYIJ-UHFFFAOYSA-N 0 1 294.398 3.908 20 30 CHEDMN N#CC(C(=O)c1ccc(Cl)o1)c1nccc2ccccc21 ZINC000361530164 1127570077 /nfs/dbraw/zinc/57/00/77/1127570077.db2.gz YHQMPWZMJDKMOK-GFCCVEGCSA-N 0 1 296.713 3.971 20 30 CHEDMN C=CCc1cc(-c2nc3ccc(F)cc3[nH]2)cc(OC)c1O ZINC000060790856 1127581197 /nfs/dbraw/zinc/58/11/97/1127581197.db2.gz NWLYABYSIUVYKF-UHFFFAOYSA-N 0 1 298.317 3.812 20 30 CHEDMN CCC(CC)CN(CCC#N)Cc1ccc2nccnc2c1 ZINC000602464958 1127582722 /nfs/dbraw/zinc/58/27/22/1127582722.db2.gz IMSKSKRFXCFBDI-UHFFFAOYSA-N 0 1 296.418 3.782 20 30 CHEDMN C[C@H](CCC#N)CNc1ccc(Cl)c(CN(C)C)c1 ZINC000602649633 1127600835 /nfs/dbraw/zinc/60/08/35/1127600835.db2.gz WXIDGOCDSYFUAB-GFCCVEGCSA-N 0 1 279.815 3.753 20 30 CHEDMN CCc1ccc([C@H]2CN(C[C@H](C)CCC#N)CCO2)cc1 ZINC000602635848 1127601157 /nfs/dbraw/zinc/60/11/57/1127601157.db2.gz VISPCJRIGQEGBS-CRAIPNDOSA-N 0 1 286.419 3.562 20 30 CHEDMN COc1cc2c(cc1Cl)CN(C[C@H](C)CCC#N)CC2 ZINC000602674045 1127602175 /nfs/dbraw/zinc/60/21/75/1127602175.db2.gz CCHAEDAMIOBDCV-GFCCVEGCSA-N 0 1 292.810 3.647 20 30 CHEDMN CC(C)c1ccc2c(c1)[C@@H](NCc1cccc(C#N)n1)CC2 ZINC000602625915 1127598609 /nfs/dbraw/zinc/59/86/09/1127598609.db2.gz VPEBFNQYFKGGTN-IBGZPJMESA-N 0 1 291.398 3.854 20 30 CHEDMN CC[C@@H](CC#N)N[C@@H](C)Cc1ccc(F)cc1Cl ZINC000602609326 1127599257 /nfs/dbraw/zinc/59/92/57/1127599257.db2.gz CFEJKGOIDZPYAA-GWCFXTLKSA-N 0 1 268.763 3.692 20 30 CHEDMN N#CC1(CNCc2ccc(F)c3ccccc23)CCC1 ZINC000602699775 1127606341 /nfs/dbraw/zinc/60/63/41/1127606341.db2.gz RHOIQKVCXQMMBW-UHFFFAOYSA-N 0 1 268.335 3.762 20 30 CHEDMN CSc1ccc([C@@H](C)NCc2cccc(C#N)n2)cc1 ZINC000602655273 1127602798 /nfs/dbraw/zinc/60/27/98/1127602798.db2.gz JGAWHYWXFFDKMS-GFCCVEGCSA-N 0 1 283.400 3.526 20 30 CHEDMN C[C@H](c1ccc(F)c(F)c1)N(C)CC1(CC#N)CC1 ZINC000602758020 1127611371 /nfs/dbraw/zinc/61/13/71/1127611371.db2.gz FDQSIOSCQAMCFE-LLVKDONJSA-N 0 1 264.319 3.651 20 30 CHEDMN Cc1cc(C)c(CNC2(c3cccc(C#N)c3)CC2)c(C)n1 ZINC000602804340 1127615398 /nfs/dbraw/zinc/61/53/98/1127615398.db2.gz FTLACKWEBPBBRR-UHFFFAOYSA-N 0 1 291.398 3.657 20 30 CHEDMN N#CC(C(=O)c1cccs1)c1cc(C(F)(F)F)ccn1 ZINC000362180407 1127617259 /nfs/dbraw/zinc/61/72/59/1127617259.db2.gz GPACCUQTFDODGQ-VIFPVBQESA-N 0 1 296.273 3.652 20 30 CHEDMN N#C[C@H](C(=O)c1cccs1)c1cc(C(F)(F)F)ccn1 ZINC000362180407 1127617261 /nfs/dbraw/zinc/61/72/61/1127617261.db2.gz GPACCUQTFDODGQ-VIFPVBQESA-N 0 1 296.273 3.652 20 30 CHEDMN C[C@@H](c1ccccc1Cl)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598586086 1127626810 /nfs/dbraw/zinc/62/68/10/1127626810.db2.gz OFLDXKRPGMYCRL-QWHCGFSZSA-N 0 1 294.826 3.634 20 30 CHEDMN CCN(CCC(F)(F)F)Cc1ccc(C)c(C#N)c1 ZINC000599279002 1127665697 /nfs/dbraw/zinc/66/56/97/1127665697.db2.gz KIOMPOFPMZLYJU-UHFFFAOYSA-N 0 1 270.298 3.641 20 30 CHEDMN Cc1ccc(CN2CCC(C(F)(F)F)CC2)cc1C#N ZINC000599304103 1127666955 /nfs/dbraw/zinc/66/69/55/1127666955.db2.gz WKIVYHMLWQCYAQ-UHFFFAOYSA-N 0 1 282.309 3.641 20 30 CHEDMN Cc1[nH]n(-c2ccc(Cl)cc2Cl)c(=O)c1CCC#N ZINC000603923372 1127682740 /nfs/dbraw/zinc/68/27/40/1127682740.db2.gz COFFUGQNFVWXIY-JTQLQIEISA-N 0 1 296.157 3.636 20 30 CHEDMN Cc1cccc([C@@H](NCc2ccncc2C#N)C(C)C)c1 ZINC000599629754 1127684220 /nfs/dbraw/zinc/68/42/20/1127684220.db2.gz MACQIXMRXNXVBJ-SFHVURJKSA-N 0 1 279.387 3.749 20 30 CHEDMN C/C=C/C[C@@H]1CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000599691539 1127687447 /nfs/dbraw/zinc/68/74/47/1127687447.db2.gz SJSXTFSQHYGOPZ-BAABZTOOSA-N 0 1 299.374 3.645 20 30 CHEDMN CC[N@@H+](CCOc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000061799838 1127718226 /nfs/dbraw/zinc/71/82/26/1127718226.db2.gz JIICKIQYGBHLET-UHFFFAOYSA-N 0 1 298.361 3.598 20 30 CHEDMN N#Cc1ccc(C2(NCc3ccccc3F)CCC2)cc1 ZINC000594032816 1127774833 /nfs/dbraw/zinc/77/48/33/1127774833.db2.gz QLOCLFDTTCDPLF-UHFFFAOYSA-N 0 1 280.346 3.866 20 30 CHEDMN C[C@@H](C(=O)C(C#N)c1nc2ccccc2o1)c1cccs1 ZINC000172661566 1127777838 /nfs/dbraw/zinc/77/78/38/1127777838.db2.gz CWRKCXAGIOPGCQ-MNOVXSKESA-N 0 1 296.351 3.869 20 30 CHEDMN N#Cc1csc(C[N@H+]2CCC[C@@H]2CC2CCCC2)n1 ZINC000594054822 1127780664 /nfs/dbraw/zinc/78/06/64/1127780664.db2.gz XCESNJOEJCTTJZ-CQSZACIVSA-N 0 1 275.421 3.559 20 30 CHEDMN N#Cc1csc(CN2CCC[C@@H]2CC2CCCC2)n1 ZINC000594054822 1127780667 /nfs/dbraw/zinc/78/06/67/1127780667.db2.gz XCESNJOEJCTTJZ-CQSZACIVSA-N 0 1 275.421 3.559 20 30 CHEDMN C=CCN(CCC1(O)CCC1)Cc1ccc(Cl)s1 ZINC000411137305 1127842897 /nfs/dbraw/zinc/84/28/97/1127842897.db2.gz QGBYRDISUMKPLC-UHFFFAOYSA-N 0 1 285.840 3.695 20 30 CHEDMN C[C@@H]1C[C@@H](c2cccnc2)N(CC#Cc2ccc(F)cc2)C1 ZINC000373579137 1127850486 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ZINC000481114088 1120273142 /nfs/dbraw/zinc/27/31/42/1120273142.db2.gz JRTJEXCSKFEZAA-NSHDSACASA-N 0 1 295.224 3.799 20 30 CHEDMN C[C@H]1C[C@H]1c1ccc(CNCc2ccc(OCC#N)cc2)o1 ZINC000069752920 1128903874 /nfs/dbraw/zinc/90/38/74/1128903874.db2.gz FRUYHFKGXVWNGP-SUMWQHHRSA-N 0 1 296.370 3.595 20 30 CHEDMN CC(C)C[C@@H](C)CN1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000499586303 1120344105 /nfs/dbraw/zinc/34/41/05/1120344105.db2.gz BKDWXLVICMOCCD-CRAIPNDOSA-N 0 1 286.419 3.614 20 30 CHEDMN N#Cc1cc(Cl)cc(CN2CC[C@@H](c3cccnc3)C2)c1 ZINC000930813668 1120428561 /nfs/dbraw/zinc/42/85/61/1120428561.db2.gz CREJHNQQQIZOKD-MRXNPFEDSA-N 0 1 297.789 3.596 20 30 CHEDMN C[C@H](N[C@@H](CCC#N)c1ccccc1)C1(Cl)CC1 ZINC000925601772 1120442079 /nfs/dbraw/zinc/44/20/79/1120442079.db2.gz OPCBZIPALCJWPA-JSGCOSHPSA-N 0 1 262.784 3.781 20 30 CHEDMN COc1c2ccccc2oc1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000618577810 1128919653 /nfs/dbraw/zinc/91/96/53/1128919653.db2.gz UYVBCMVMWPPKPI-OLZOCXBDSA-N 0 1 284.359 3.613 20 30 CHEDMN C[C@@H](NCc1csc(C#N)c1)c1ccc2c(c1)CCCO2 ZINC000922269314 1120492227 /nfs/dbraw/zinc/49/22/27/1120492227.db2.gz MLWWGQAZNCKKLA-GFCCVEGCSA-N 0 1 298.411 3.796 20 30 CHEDMN COc1c2ccccc2oc1CN[C@H]1CCC[C@H](C#N)C1 ZINC000618577818 1128919961 /nfs/dbraw/zinc/91/99/61/1128919961.db2.gz UYVBCMVMWPPKPI-STQMWFEESA-N 0 1 284.359 3.613 20 30 CHEDMN CCN(Cc1cc(C#N)cs1)[C@@H](C)c1cccc(O)c1 ZINC000091975320 1120537129 /nfs/dbraw/zinc/53/71/29/1120537129.db2.gz VYCOLWWUUHETFF-LBPRGKRZSA-N 0 1 286.400 3.908 20 30 CHEDMN Cc1ccc(CN(C)Cc2cc(C#N)cs2)s1 ZINC000093049439 1120552149 /nfs/dbraw/zinc/55/21/49/1120552149.db2.gz OQZIGCRSXMEDQO-UHFFFAOYSA-N 0 1 262.403 3.622 20 30 CHEDMN N#Cc1csc(CN2CCC[C@@H](Nc3ccccc3)C2)c1 ZINC000093704454 1120566092 /nfs/dbraw/zinc/56/60/92/1120566092.db2.gz HFHFCPLRJQPBDT-MRXNPFEDSA-N 0 1 297.427 3.696 20 30 CHEDMN C[C@@H](NCc1ccccc1F)c1ccc(C#N)cc1 ZINC000019949905 1120576799 /nfs/dbraw/zinc/57/67/99/1120576799.db2.gz ZXOKGGKLKZCEGP-GFCCVEGCSA-N 0 1 254.308 3.548 20 30 CHEDMN CCCCCCCCCN1CC[C@@H](C)[S@](=O)CC1 ZINC000759871146 1120596674 /nfs/dbraw/zinc/59/66/74/1120596674.db2.gz UKEZITGIJYBHJC-CRAIPNDOSA-N 0 1 273.486 3.580 20 30 CHEDMN C=CCOCCN(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000338888595 1120620798 /nfs/dbraw/zinc/62/07/98/1120620798.db2.gz SUOGGTKCFTWQQI-BBRMVZONSA-N 0 1 275.392 3.570 20 30 CHEDMN Cc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)o1 ZINC000335195965 1120642115 /nfs/dbraw/zinc/64/21/15/1120642115.db2.gz VLGZLGKVTCQRKW-QGZVFWFLSA-N 0 1 266.344 3.627 20 30 CHEDMN C[C@@H](c1ccc(C#N)cc1)N1Cc2ccccc2O[C@H](C)C1 ZINC000429113953 1120663488 /nfs/dbraw/zinc/66/34/88/1120663488.db2.gz JMYXLSVQWVQDPM-CABCVRRESA-N 0 1 292.382 3.902 20 30 CHEDMN Cc1ccc(-c2n[nH]c(NC(=O)Cc3ccccc3)n2)cc1 ZINC000028789957 1120669030 /nfs/dbraw/zinc/66/90/30/1120669030.db2.gz HZJWWECJQCRVFL-UHFFFAOYSA-N 0 1 292.342 3.611 20 30 CHEDMN C=CC[C@@H]1CC[C@@H](N[C@@H](c2nccn2C)c2ccccc2)C1 ZINC000651673214 1120706646 /nfs/dbraw/zinc/70/66/46/1120706646.db2.gz APOWHBUBNHWKFC-KBAYOESNSA-N 0 1 295.430 3.844 20 30 CHEDMN N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(Cl)o1 ZINC000618741234 1128935924 /nfs/dbraw/zinc/93/59/24/1128935924.db2.gz CAVJJAWAEKQISP-CQSZACIVSA-N 0 1 272.735 3.582 20 30 CHEDMN C=CCCOCCN[C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000651745436 1120733217 /nfs/dbraw/zinc/73/32/17/1120733217.db2.gz KOZSOPRQNISKHV-CYBMUJFWSA-N 0 1 283.774 3.649 20 30 CHEDMN C=CC[C@@H]1CC[C@H](NCc2noc(-c3ccccc3C)n2)C1 ZINC000651766183 1120739062 /nfs/dbraw/zinc/73/90/62/1120739062.db2.gz YOZKMAAPGQFHPV-CABCVRRESA-N 0 1 297.402 3.879 20 30 CHEDMN C=CC[C@@H]1CCC[N@H+]([C@@H](C)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000661381221 1120760256 /nfs/dbraw/zinc/76/02/56/1120760256.db2.gz XVOSUJNHBQCLLY-UONOGXRCSA-N 0 1 297.402 3.685 20 30 CHEDMN C=CC[C@@H]1CCCN([C@@H](C)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000661381221 1120760260 /nfs/dbraw/zinc/76/02/60/1120760260.db2.gz XVOSUJNHBQCLLY-UONOGXRCSA-N 0 1 297.402 3.685 20 30 CHEDMN C=CC[C@@H]1CCC[N@H+]([C@H](C)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000661381222 1120760540 /nfs/dbraw/zinc/76/05/40/1120760540.db2.gz XVOSUJNHBQCLLY-ZIAGYGMSSA-N 0 1 297.402 3.685 20 30 CHEDMN C=CC[C@@H]1CCCN([C@H](C)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000661381222 1120760544 /nfs/dbraw/zinc/76/05/44/1120760544.db2.gz XVOSUJNHBQCLLY-ZIAGYGMSSA-N 0 1 297.402 3.685 20 30 CHEDMN COc1ccccc1[C@@H](C)N[C@H]1CCc2cc(C#N)ccc21 ZINC000618803515 1128940210 /nfs/dbraw/zinc/94/02/10/1128940210.db2.gz XMAQNROLPYNKMF-ACJLOTCBSA-N 0 1 292.382 3.905 20 30 CHEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1ncc(C(C)(C)C)o1 ZINC000662081210 1120870580 /nfs/dbraw/zinc/87/05/80/1120870580.db2.gz VAJCXFRVDFSMLP-BETUJISGSA-N 0 1 260.381 3.655 20 30 CHEDMN C=C1C[C@H]2CC[C@@H](C1)N2Cc1nccn1Cc1ccccc1 ZINC000662083319 1120871982 /nfs/dbraw/zinc/87/19/82/1120871982.db2.gz CNKJZONLYDMVQT-HDICACEKSA-N 0 1 293.414 3.614 20 30 CHEDMN C=CCCC[C@H](C)N1C[C@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000662238090 1120908891 /nfs/dbraw/zinc/90/88/91/1120908891.db2.gz RCNAPAMUDKXLNY-AVGNSLFASA-N 0 1 279.346 3.773 20 30 CHEDMN N#Cc1ccc(CN[C@H]2CCCc3c(O)cccc32)c(F)c1 ZINC000191655830 1128950228 /nfs/dbraw/zinc/95/02/28/1128950228.db2.gz SZGRUQRKJQQXTQ-KRWDZBQOSA-N 0 1 296.345 3.570 20 30 CHEDMN C[C@@H](C#C[Si](C)(C)C)Oc1ccc(F)cc1CN(C)C ZINC001229858789 1121017523 /nfs/dbraw/zinc/01/75/23/1121017523.db2.gz ROUVYXNWFSQTLG-ZDUSSCGKSA-N 0 1 293.458 3.535 20 30 CHEDMN CCN(Cc1cncc(C#N)c1)[C@@H](C)c1ccc(F)cc1 ZINC000929333583 1121022880 /nfs/dbraw/zinc/02/28/80/1121022880.db2.gz PTFKSRPAWMPCNX-ZDUSSCGKSA-N 0 1 283.350 3.675 20 30 CHEDMN C#CC[N@H+](Cc1cncc(C)c1)[C@@H]1CCc2ccccc21 ZINC000189804954 1121029383 /nfs/dbraw/zinc/02/93/83/1121029383.db2.gz UTLBWALRIVZFKT-LJQANCHMSA-N 0 1 276.383 3.513 20 30 CHEDMN C#CCN(Cc1cncc(C)c1)[C@@H]1CCc2ccccc21 ZINC000189804954 1121029397 /nfs/dbraw/zinc/02/93/97/1121029397.db2.gz UTLBWALRIVZFKT-LJQANCHMSA-N 0 1 276.383 3.513 20 30 CHEDMN CC#CCCCC(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000466597647 1121038363 /nfs/dbraw/zinc/03/83/63/1121038363.db2.gz HKHQBDAJFZVACJ-UHFFFAOYSA-N 0 1 297.402 3.993 20 30 CHEDMN C=CC[C@H]1CCN(Cc2cc(-c3cccs3)on2)C1 ZINC000625701091 1121061132 /nfs/dbraw/zinc/06/11/32/1121061132.db2.gz MYXFSCXJNTVREM-LBPRGKRZSA-N 0 1 274.389 3.801 20 30 CHEDMN C=CC[C@H]1CCN(Cc2nc(C(C)(C)C)cs2)C1 ZINC000625699958 1121062008 /nfs/dbraw/zinc/06/20/08/1121062008.db2.gz FPJWDYYLWDPJND-LBPRGKRZSA-N 0 1 264.438 3.839 20 30 CHEDMN C=CC[C@H]1CCN(Cc2cc(Cl)ccc2F)C1 ZINC001174890240 1121069160 /nfs/dbraw/zinc/06/91/60/1121069160.db2.gz GENHGIPGGAIDNF-NSHDSACASA-N 0 1 253.748 3.877 20 30 CHEDMN C=C(C)CN(Cc1ccccc1)C(=O)c1cccc(F)c1O ZINC001128600777 1121073526 /nfs/dbraw/zinc/07/35/26/1121073526.db2.gz RTWLBHRKEZZTRG-UHFFFAOYSA-N 0 1 299.345 3.750 20 30 CHEDMN C=CCCCCNCc1csc(C(F)(F)F)n1 ZINC000893656609 1121148028 /nfs/dbraw/zinc/14/80/28/1121148028.db2.gz TUSZKSZRBCWVAP-UHFFFAOYSA-N 0 1 264.316 3.608 20 30 CHEDMN Cc1ccc(C[N@H+]2CCc3c(C)cccc3C2)cc1C#N ZINC001139723162 1121160933 /nfs/dbraw/zinc/16/09/33/1121160933.db2.gz SSQYEDQIBHMKFZ-UHFFFAOYSA-N 0 1 276.383 3.733 20 30 CHEDMN Cc1ccc(CN2CCc3c(C)cccc3C2)cc1C#N ZINC001139723162 1121160936 /nfs/dbraw/zinc/16/09/36/1121160936.db2.gz SSQYEDQIBHMKFZ-UHFFFAOYSA-N 0 1 276.383 3.733 20 30 CHEDMN C#C[C@H](NCc1ccsc1C(F)(F)F)C(C)C ZINC000704335346 1121338916 /nfs/dbraw/zinc/33/89/16/1121338916.db2.gz YDDYXMYUCRZFSU-JTQLQIEISA-N 0 1 261.312 3.514 20 30 CHEDMN Cc1ccc2[nH]ncc2c1Nc1onc(C(C)(C)C)c1C#N ZINC001175523269 1121363266 /nfs/dbraw/zinc/36/32/66/1121363266.db2.gz DEJMDJMNSFNMNT-UHFFFAOYSA-N 0 1 295.346 3.772 20 30 CHEDMN Cc1cc(Cl)nc(Nc2c3cn[nH]c3ccc2C)c1C#N ZINC001175525338 1121366851 /nfs/dbraw/zinc/36/68/51/1121366851.db2.gz BTYMEVFEYWCOKD-UHFFFAOYSA-N 0 1 297.749 3.843 20 30 CHEDMN Cc1[nH]nc2cc(Nc3ccc(C#N)c(F)c3)ccc12 ZINC001175662413 1121426609 /nfs/dbraw/zinc/42/66/09/1121426609.db2.gz LBLOBVQYEKOMQQ-UHFFFAOYSA-N 0 1 266.279 3.626 20 30 CHEDMN CC(=O)c1ccc(Nc2ccc3c(C)[nH]nc3c2)c(C#N)c1 ZINC001175662772 1121427372 /nfs/dbraw/zinc/42/73/72/1121427372.db2.gz CMKKXFLDDTWKOP-UHFFFAOYSA-N 0 1 290.326 3.689 20 30 CHEDMN Clc1ccccc1C#CCN1CCC[C@@H]1C1CC1 ZINC000676715265 1121459111 /nfs/dbraw/zinc/45/91/11/1121459111.db2.gz VSCKZBHIXFCHAH-MRXNPFEDSA-N 0 1 259.780 3.566 20 30 CHEDMN CCN(Cc1ccc(C(C)(C)C#N)cc1)Cc1ccccn1 ZINC000614171771 1121502985 /nfs/dbraw/zinc/50/29/85/1121502985.db2.gz YWTVGXNVVKPACK-UHFFFAOYSA-N 0 1 293.414 3.905 20 30 CHEDMN N#Cc1ccc(CN2CCC[C@@H]2c2ccc(O)cc2)s1 ZINC000611265471 1121634358 /nfs/dbraw/zinc/63/43/58/1121634358.db2.gz TWFUGYYVDCHYNJ-MRXNPFEDSA-N 0 1 284.384 3.662 20 30 CHEDMN CC(C)Oc1cccc([C@H](C)NCc2ccnc(C#N)c2)c1 ZINC000611380236 1121640686 /nfs/dbraw/zinc/64/06/86/1121640686.db2.gz GJMHOAMBFCKSNT-AWEZNQCLSA-N 0 1 295.386 3.591 20 30 CHEDMN C[C@@H](NCC#Cc1cccc(Cl)c1)c1cccc(C#N)c1 ZINC000611386216 1121642277 /nfs/dbraw/zinc/64/22/77/1121642277.db2.gz GAGPWTJZJITPPN-CQSZACIVSA-N 0 1 294.785 3.914 20 30 CHEDMN Cc1cc(C)cc(OCCCN(C)CC(C)(C)C#N)c1 ZINC000433308615 1121645163 /nfs/dbraw/zinc/64/51/63/1121645163.db2.gz ZGFLHBAKMZQZAI-UHFFFAOYSA-N 0 1 274.408 3.554 20 30 CHEDMN N#CC1(CN2CCC[C@H](c3cc4ccccc4[nH]3)C2)CC1 ZINC000611430611 1121647334 /nfs/dbraw/zinc/64/73/34/1121647334.db2.gz NEVCDNANGQBQHZ-HNNXBMFYSA-N 0 1 279.387 3.651 20 30 CHEDMN C[C@@H]1CCN(Cc2ccccc2C(C)(C)C#N)C[C@@H]1F ZINC000611502391 1121652196 /nfs/dbraw/zinc/65/21/96/1121652196.db2.gz RXAMTTLIOYUGJF-CJNGLKHVSA-N 0 1 274.383 3.668 20 30 CHEDMN N#CCCCC/N=C/c1cc(Cl)cc(Cl)c1O ZINC000171417222 1121687651 /nfs/dbraw/zinc/68/76/51/1121687651.db2.gz CRGISCSZOASWMF-LZYBPNLTSA-N 0 1 271.147 3.812 20 30 CHEDMN FC(F)(F)c1cnc(NN=Cc2ccoc2)c(Cl)c1 ZINC000727250620 1121709213 /nfs/dbraw/zinc/70/92/13/1121709213.db2.gz SUKFBRHFKUTHNM-UHFFFAOYSA-N 0 1 289.644 3.793 20 30 CHEDMN CCCn1c(C=NNc2ccc(C)cn2)nc2ccccc21 ZINC000727259349 1121710462 /nfs/dbraw/zinc/71/04/62/1121710462.db2.gz DNJPNGVXSVDALZ-UHFFFAOYSA-N 0 1 293.374 3.596 20 30 CHEDMN Cc1cc(C#N)ccc1CN1CCOC2(C1)CCCCCC2 ZINC000614402949 1121711024 /nfs/dbraw/zinc/71/10/24/1121711024.db2.gz ZVIZMUQTZHBAAW-UHFFFAOYSA-N 0 1 298.430 3.792 20 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C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](CCC)C(=O)[O-] ZINC000521887092 333195872 /nfs/dbraw/zinc/19/58/72/333195872.db2.gz ZBKBRDXMVZTAED-NSHDSACASA-N 0 1 287.812 3.643 20 30 CHEDMN C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](CCC)C(=O)[O-] ZINC000521887092 333195873 /nfs/dbraw/zinc/19/58/73/333195873.db2.gz ZBKBRDXMVZTAED-NSHDSACASA-N 0 1 287.812 3.643 20 30 CHEDMN Cc1csc(C(C#N)C(=O)c2csc(Cl)c2)n1 ZINC000191371860 333218816 /nfs/dbraw/zinc/21/88/16/333218816.db2.gz DGPHJZKRDKGABH-MRVPVSSYSA-N 0 1 282.777 3.657 20 30 CHEDMN Cc1csc([C@H](C#N)C(=O)c2csc(Cl)c2)n1 ZINC000191371860 333218817 /nfs/dbraw/zinc/21/88/17/333218817.db2.gz DGPHJZKRDKGABH-MRVPVSSYSA-N 0 1 282.777 3.657 20 30 CHEDMN C[C@@H]1CCCN(Cc2cc(C#N)ccc2Br)C1 ZINC000191773551 333225157 /nfs/dbraw/zinc/22/51/57/333225157.db2.gz GMUQALOUKCFSKS-LLVKDONJSA-N 0 1 293.208 3.553 20 30 CHEDMN CC1(C)CC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000191801180 333225692 /nfs/dbraw/zinc/22/56/92/333225692.db2.gz KCPWBZHSWPELRD-UHFFFAOYSA-N 0 1 293.208 3.553 20 30 CHEDMN CC1(C)CCN(Cc2cc(C#N)ccc2Br)C1 ZINC000191801180 333225693 /nfs/dbraw/zinc/22/56/93/333225693.db2.gz KCPWBZHSWPELRD-UHFFFAOYSA-N 0 1 293.208 3.553 20 30 CHEDMN Cc1ncc(CN(C)[C@H](C)c2ccc(C#N)cc2)s1 ZINC000194972633 333280570 /nfs/dbraw/zinc/28/05/70/333280570.db2.gz AYXHMJVSTZCEMH-LLVKDONJSA-N 0 1 271.389 3.516 20 30 CHEDMN N#CC1(CN[C@H](c2cccc(F)c2)C2CCCC2)CC1 ZINC000538392465 333588126 /nfs/dbraw/zinc/58/81/26/333588126.db2.gz UBXRPWCDRJKIGG-INIZCTEOSA-N 0 1 272.367 3.950 20 30 CHEDMN C=CCCCN[C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000541688351 333786787 /nfs/dbraw/zinc/78/67/87/333786787.db2.gz QYUHIRAVWBIKSB-GFCCVEGCSA-N 0 1 289.354 3.801 20 30 CHEDMN N#CCC[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000130431521 333842456 /nfs/dbraw/zinc/84/24/56/333842456.db2.gz KGOITFZGXALRPQ-KRWDZBQOSA-N 0 1 295.342 3.729 20 30 CHEDMN C=CCCCN(C)[C@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000076734393 334088131 /nfs/dbraw/zinc/08/81/31/334088131.db2.gz UBZXFPSFEODOMC-LLVKDONJSA-N 0 1 298.789 3.704 20 30 CHEDMN C=C(C)COCCNCc1csc(-c2ccsc2)n1 ZINC000134508967 334092800 /nfs/dbraw/zinc/09/28/00/334092800.db2.gz LSBWTSWFTCAZPK-UHFFFAOYSA-N 0 1 294.445 3.554 20 30 CHEDMN C[C@H]1C[C@H](C)N1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000547770051 334116310 /nfs/dbraw/zinc/11/63/10/334116310.db2.gz ZKQHZCDTYTZLPC-RYUDHWBXSA-N 0 1 267.294 3.540 20 30 CHEDMN CSC[C@H]1CCCN1CC#Cc1ccccc1Cl ZINC000135163260 334118426 /nfs/dbraw/zinc/11/84/26/334118426.db2.gz XGMZAWFLWVKELV-CQSZACIVSA-N 0 1 279.836 3.519 20 30 CHEDMN C=CCCC[C@H](C)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000576269098 335179974 /nfs/dbraw/zinc/17/99/74/335179974.db2.gz WPUIGZTYVHICNG-ZDUSSCGKSA-N 0 1 290.363 3.534 20 30 CHEDMN N#Cc1cccc(C2(NCc3cnc(C4CC4)s3)CC2)c1 ZINC000551226427 334241612 /nfs/dbraw/zinc/24/16/12/334241612.db2.gz RBIMPHFVOHQJQR-UHFFFAOYSA-N 0 1 295.411 3.671 20 30 CHEDMN CC[C@H](CN(CC)C[C@@H](C#N)CCC#N)c1ccccc1 ZINC000249450477 334334191 /nfs/dbraw/zinc/33/41/91/334334191.db2.gz OISUOEGPFUHSFZ-IAGOWNOFSA-N 0 1 283.419 3.946 20 30 CHEDMN CCOc1cccc([C@H](C)NCc2cc(C#N)ccc2F)c1 ZINC000090117830 334357667 /nfs/dbraw/zinc/35/76/67/334357667.db2.gz VPBIFKDGWGUGDZ-ZDUSSCGKSA-N 0 1 298.361 3.947 20 30 CHEDMN C[C@@H](Cc1ccccc1C(F)(F)F)NCC1(C#N)CC1 ZINC000567445076 334719893 /nfs/dbraw/zinc/71/98/93/334719893.db2.gz FUFGLIUTEOGPNV-NSHDSACASA-N 0 1 282.309 3.530 20 30 CHEDMN C[C@@H](NCCCC#N)c1ccc(F)cc1Br ZINC000273197251 334762331 /nfs/dbraw/zinc/76/23/31/334762331.db2.gz IDPRFAUAPVOUOQ-SECBINFHSA-N 0 1 285.160 3.543 20 30 CHEDMN C[C@H](NCCCC#N)c1ccc(F)cc1Br ZINC000273197252 334762506 /nfs/dbraw/zinc/76/25/06/334762506.db2.gz IDPRFAUAPVOUOQ-VIFPVBQESA-N 0 1 285.160 3.543 20 30 CHEDMN C=CC1CCN(Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000568338430 334816077 /nfs/dbraw/zinc/81/60/77/334816077.db2.gz IMMBEGYBVZFRBY-UHFFFAOYSA-N 0 1 285.309 3.809 20 30 CHEDMN COc1ccccc1[C@@H](C)NCc1ccc(CC#N)cc1 ZINC000343696682 335216928 /nfs/dbraw/zinc/21/69/28/335216928.db2.gz RHTVEESPQSXCNB-CQSZACIVSA-N 0 1 280.371 3.612 20 30 CHEDMN N#Cc1csc(CN[C@H](c2ccccc2)[C@@H]2CCCO2)c1 ZINC000177692383 335379121 /nfs/dbraw/zinc/37/91/21/335379121.db2.gz DIEQUEMRORITBQ-DLBZAZTESA-N 0 1 298.411 3.630 20 30 CHEDMN CC(C)c1nc(CN2CCC(CC#N)CC2)c2ccccn21 ZINC000577758625 335398266 /nfs/dbraw/zinc/39/82/66/335398266.db2.gz IVKJYFWODRNLAZ-UHFFFAOYSA-N 0 1 296.418 3.583 20 30 CHEDMN C[C@H]1Cc2ccccc2[C@@H]1NCc1ccc(C#N)cc1F ZINC000177857880 335404262 /nfs/dbraw/zinc/40/42/62/335404262.db2.gz NDQSSCBWTQUFEF-KPZWWZAWSA-N 0 1 280.346 3.720 20 30 CHEDMN COc1ccccc1[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC000361863315 335849650 /nfs/dbraw/zinc/84/96/50/335849650.db2.gz VHKWGZBTBHFRFF-LBPRGKRZSA-N 0 1 284.334 3.557 20 30 CHEDMN C[C@@H]1CCN(CC(=O)Nc2cccc(C#N)c2)CC12CCC2 ZINC000329104058 534028672 /nfs/dbraw/zinc/02/86/72/534028672.db2.gz CJRSEXUYOHOXKX-CQSZACIVSA-N 0 1 297.402 3.658 20 30 CHEDMN C[C@@H]1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1(C)C ZINC000336010736 534055561 /nfs/dbraw/zinc/05/55/61/534055561.db2.gz MCNYQKVQENZTQU-IUODEOHRSA-N 0 1 285.391 3.503 20 30 CHEDMN CSc1ccc(CN(C)Cc2cccc(C#N)c2)s1 ZINC000356092865 534201420 /nfs/dbraw/zinc/20/14/20/534201420.db2.gz IPFFMMWNHFUETM-UHFFFAOYSA-N 0 1 288.441 3.974 20 30 CHEDMN C=CCCCNC(=O)Nc1ccc2nc(C(F)F)[nH]c2c1 ZINC000279617979 518703043 /nfs/dbraw/zinc/70/30/43/518703043.db2.gz SPTQXNOIESUGGC-UHFFFAOYSA-N 0 1 294.305 3.588 20 30 CHEDMN CC[C@@H](C)c1nc([C@@H](C)Nc2cccc(F)c2C#N)n[nH]1 ZINC000277480208 522439592 /nfs/dbraw/zinc/43/95/92/522439592.db2.gz SLKWQKNSOHPNAP-NXEZZACHSA-N 0 1 287.342 3.502 20 30 CHEDMN COc1cc(CNC2(c3cccc(C#N)c3)CC2)ccc1C ZINC000278105052 522441120 /nfs/dbraw/zinc/44/11/20/522441120.db2.gz AEUOBIQYGFTRFQ-UHFFFAOYSA-N 0 1 292.382 3.654 20 30 CHEDMN Cc1c([C@H](C)NCc2cccc(C#N)c2)cccc1[N+](=O)[O-] ZINC000151381943 525920190 /nfs/dbraw/zinc/92/01/90/525920190.db2.gz YSCFBSMVLABBHA-ZDUSSCGKSA-N 0 1 295.342 3.626 20 30 CHEDMN CC1(C)CCCCN([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000336543504 528913959 /nfs/dbraw/zinc/91/39/59/528913959.db2.gz FKCNAYVRPIMUGH-OAHLLOKOSA-N 0 1 285.391 3.647 20 30 CHEDMN CCC1(CNC(=O)c2cc3[nH]cnc3cc2F)CCC1 ZINC000329153249 529032823 /nfs/dbraw/zinc/03/28/23/529032823.db2.gz ABNVOEVIKVTJSX-UHFFFAOYSA-N 0 1 275.327 3.587 20 30 CHEDMN