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Cc1cc(C(=O)N2CC[C@H](n3cc(CNCC#N)nn3)C2)n[nH]1 ZINC001098622751 748150175 /nfs/dbraw/zinc/15/01/75/748150175.db2.gz PGHPSFCZAJSQRZ-LBPRGKRZSA-N 0 1 314.353 0.010 20 30 DCEDMN C#CCNC(=O)CC(=O)NCCNCc1cc(C#N)ccc1F ZINC001125977892 748166945 /nfs/dbraw/zinc/16/69/45/748166945.db2.gz HSIMWNZOVSWLBB-UHFFFAOYSA-N 0 1 316.336 0.043 20 30 DCEDMN C#CCNC(=O)CC(=O)NCCNCc1oc(CCC)nc1C ZINC001125977790 748167221 /nfs/dbraw/zinc/16/72/21/748167221.db2.gz GKNFECYULSMPLT-UHFFFAOYSA-N 0 1 320.393 0.281 20 30 DCEDMN C#CCCNCc1cn([C@@H]2CCN(C(=O)[C@@H](CC)OC)C2)nn1 ZINC001098628646 748306466 /nfs/dbraw/zinc/30/64/66/748306466.db2.gz DGPQDMHNTUQOEW-HUUCEWRRSA-N 0 1 319.409 0.589 20 30 DCEDMN C[C@@H]1C[C@@H](NC(=O)c2ncn[nH]2)CCN1c1ccc(C#N)cn1 ZINC001067546857 748364604 /nfs/dbraw/zinc/36/46/04/748364604.db2.gz IRUCCJDPTPGNFH-PWSUYJOCSA-N 0 1 311.349 0.859 20 30 DCEDMN C[C@@H]1C[C@@H](NC(=O)c2nc[nH]n2)CCN1c1ccc(C#N)cn1 ZINC001067546857 748364612 /nfs/dbraw/zinc/36/46/12/748364612.db2.gz 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O=C(C#CC1CC1)NCC[C@@H]1CCN(C(=O)Cc2ccn[nH]2)C1 ZINC001059390753 749110519 /nfs/dbraw/zinc/11/05/19/749110519.db2.gz NDHMPAJJWNPCTB-CQSZACIVSA-N 0 1 314.389 0.720 20 30 DCEDMN C[C@@H](C#N)C(=O)N1C[C@H]2CCN(CC(=O)N3CCCC3)C[C@H]2C1 ZINC001087909158 749127076 /nfs/dbraw/zinc/12/70/76/749127076.db2.gz AQVRCBIYKUFNLG-ZNMIVQPWSA-N 0 1 318.421 0.549 20 30 DCEDMN C#CCCN1CC[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)C3)C[C@@H]2C1 ZINC001088032701 749201216 /nfs/dbraw/zinc/20/12/16/749201216.db2.gz ZOZLONNRVUPDMV-ILXRZTDVSA-N 0 1 324.446 0.225 20 30 DCEDMN CC(C)(C)C#CC(=O)N1CC[C@H](CCNC(=O)c2cnn[nH]2)C1 ZINC001059625646 749395853 /nfs/dbraw/zinc/39/58/53/749395853.db2.gz DDZFKPIICIMXQW-LBPRGKRZSA-N 0 1 317.393 0.823 20 30 DCEDMN N#CCN[C@H]1CCCCCN(C(=O)[C@@H]2CCc3[nH]nnc3C2)C1 ZINC001088413244 749427580 /nfs/dbraw/zinc/42/75/80/749427580.db2.gz BCGLQIBBIYNVSD-OLZOCXBDSA-N 0 1 316.409 0.794 20 30 DCEDMN N#CCN[C@H]1CCCCCN(C(=O)[C@@H]2CCc3nn[nH]c3C2)C1 ZINC001088413244 749427585 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1180758387 /nfs/dbraw/zinc/75/83/87/1180758387.db2.gz IODBFMZUJUBRRC-AWEZNQCLSA-N 0 1 301.390 0.659 20 30 DCEDMN C#CCCCC(=O)NC[C@@H](C)NCC(=O)Nc1cc(C)nn1C ZINC001713307803 1180759497 /nfs/dbraw/zinc/75/94/97/1180759497.db2.gz VUYXSJKLDQKUOL-CYBMUJFWSA-N 0 1 319.409 0.565 20 30 DCEDMN Cc1nnc(NC(=O)CN[C@@H](C)CNC(=O)C#CC2CC2)s1 ZINC001713308612 1180760415 /nfs/dbraw/zinc/76/04/15/1180760415.db2.gz LAMFEPRYGQKAOX-VIFPVBQESA-N 0 1 321.406 0.293 20 30 DCEDMN C#CCOCCC(=O)N1CCC[C@H](N(C)[C@H](CC)C(N)=O)C1 ZINC001713392235 1180797127 /nfs/dbraw/zinc/79/71/27/1180797127.db2.gz PSGXMYILLIDXCD-UONOGXRCSA-N 0 1 309.410 0.213 20 30 DCEDMN C=CCN1CC[C@@H](N(CC)CCNC(=O)c2cnns2)C1=O ZINC001713481933 1180860365 /nfs/dbraw/zinc/86/03/65/1180860365.db2.gz VXUOPSCWIAWWJZ-LLVKDONJSA-N 0 1 323.422 0.377 20 30 DCEDMN CCN(CC#CCOC)CCNC(=O)c1ccnc(N(C)C)c1 ZINC001713493672 1180867598 /nfs/dbraw/zinc/86/75/98/1180867598.db2.gz PYWXAJLWODKMJR-UHFFFAOYSA-N 0 1 318.421 0.849 20 30 DCEDMN C#CCN1CCC[C@@H]1CNC(=O)Cn1c(=O)[nH]c2ccccc21 ZINC001713515511 1180888138 /nfs/dbraw/zinc/88/81/38/1180888138.db2.gz WFMPHPNODPRPPG-CYBMUJFWSA-N 0 1 312.373 0.956 20 30 DCEDMN C=CCOCC(=O)NC[C@@H]1CCN(Cc2ccnc(OC)n2)C1 ZINC001713524957 1180899935 /nfs/dbraw/zinc/89/99/35/1180899935.db2.gz DCUDGZILXSFUTG-ZDUSSCGKSA-N 0 1 320.393 0.626 20 30 DCEDMN CC(C)NC(=O)CN1CC[C@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001713527881 1180901950 /nfs/dbraw/zinc/90/19/50/1180901950.db2.gz GNTFCVMURUQACY-CQSZACIVSA-N 0 1 307.438 0.999 20 30 DCEDMN O=C(C#CC1CC1)NC[C@@H]1CCN(CC(=O)NC2CCCC2)C1 ZINC001713528756 1180904151 /nfs/dbraw/zinc/90/41/51/1180904151.db2.gz XHELZWRYWNQSMD-HNNXBMFYSA-N 0 1 317.433 0.897 20 30 DCEDMN C#CCNC(=O)[C@@H](C)N(CCC)CCNC(=O)c1cnns1 ZINC001713544537 1180912395 /nfs/dbraw/zinc/91/23/95/1180912395.db2.gz UWPVNFHDYRSZBU-LLVKDONJSA-N 0 1 323.422 0.118 20 30 DCEDMN CC#CCN(CCNC(=O)Cc1ccc(C(N)=O)cc1)C1CC1 ZINC001713565907 1180923831 /nfs/dbraw/zinc/92/38/31/1180923831.db2.gz 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DCEDMN CCN(CC#CCOC)CCNC(=O)c1cn2c(n1)CCC2 ZINC001714583307 1181425811 /nfs/dbraw/zinc/42/58/11/1181425811.db2.gz DXJYLBUQWSIRFL-UHFFFAOYSA-N 0 1 304.394 0.531 20 30 DCEDMN CCN(CC#CCOC)CCNC(=O)[C@@H]1CCC(=O)N1C(C)C ZINC001714589439 1181428951 /nfs/dbraw/zinc/42/89/51/1181428951.db2.gz JLRGNQYBURGFDH-HNNXBMFYSA-N 0 1 323.437 0.474 20 30 DCEDMN C#CCN1CCC[C@@H]1CNC(=O)[C@H](C)NC(=O)C1CCCC1 ZINC001714608375 1181438315 /nfs/dbraw/zinc/43/83/15/1181438315.db2.gz BSYGBJGWFFJFLA-DZGCQCFKSA-N 0 1 305.422 0.895 20 30 DCEDMN C#CCN1CCC[C@H]1CNC(=O)CCCn1ccccc1=O ZINC001714613772 1181440282 /nfs/dbraw/zinc/44/02/82/1181440282.db2.gz QXWOFCQPPJUPBL-HNNXBMFYSA-N 0 1 301.390 0.842 20 30 DCEDMN C=CCNC(=O)CN1CC[C@@H](CNC(=O)c2cc(C)[nH]c2C)C1 ZINC001714643303 1181456919 /nfs/dbraw/zinc/45/69/19/1181456919.db2.gz CALZYZGSEVPKTE-AWEZNQCLSA-N 0 1 318.421 0.985 20 30 DCEDMN C=C(C)CN1CC[C@@H](CNC(=O)C2(S(C)(=O)=O)CCC2)C1 ZINC001714642988 1181457743 /nfs/dbraw/zinc/45/77/43/1181457743.db2.gz 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1181590084 /nfs/dbraw/zinc/59/00/84/1181590084.db2.gz IQTOJLRECNIQMQ-LSDHHAIUSA-N 0 1 323.437 0.330 20 30 DCEDMN C#CCNC(=O)CN(C)C[C@H]1CCN(C(=O)/C=C(/C)CC)C1 ZINC001714893215 1181591544 /nfs/dbraw/zinc/59/15/44/1181591544.db2.gz ZJNPRZAXVVQHQZ-BAAYTWLHSA-N 0 1 305.422 0.872 20 30 DCEDMN CN(CC(=O)NCC#N)C[C@@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001714895440 1181592830 /nfs/dbraw/zinc/59/28/30/1181592830.db2.gz AYNHQQZOMYFFEG-BYNSBNAKSA-N 0 1 318.421 0.453 20 30 DCEDMN C=CCN(C)C[C@@H]1CCN(C(=O)C2CCS(=O)(=O)CC2)C1 ZINC001714908759 1181598330 /nfs/dbraw/zinc/59/83/30/1181598330.db2.gz CTHGKMAARYUHOI-ZDUSSCGKSA-N 0 1 314.451 0.778 20 30 DCEDMN C=CCCC(=O)NCC1C[NH+](Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC001714963774 1181618536 /nfs/dbraw/zinc/61/85/36/1181618536.db2.gz ZQDVIUIMBRXNFX-UHFFFAOYSA-N 0 1 315.377 0.537 20 30 DCEDMN C=CCOCCN1CC(CNC(=O)c2cccnc2C(N)=O)C1 ZINC001714982366 1181627096 /nfs/dbraw/zinc/62/70/96/1181627096.db2.gz VXRTZVGHFBYTSW-UHFFFAOYSA-N 0 1 318.377 0.045 20 30 DCEDMN 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C=CCN1CCC2(CN(C(=O)[C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001050585775 757871502 /nfs/dbraw/zinc/87/15/02/757871502.db2.gz SPIQNJPUVQYQOZ-ZDUSSCGKSA-N 0 1 312.435 0.532 20 30 DCEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@H]3CCc4nnn(C)c4C3)[C@@H]2C1 ZINC001084611512 757931966 /nfs/dbraw/zinc/93/19/66/757931966.db2.gz SUSGGTDAINWVKN-WOSRLPQWSA-N 0 1 315.421 0.639 20 30 DCEDMN C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C1 ZINC001084722608 757986510 /nfs/dbraw/zinc/98/65/10/757986510.db2.gz WRPBFEQQBPBYKO-HZPDHXFCSA-N 0 1 307.438 0.818 20 30 DCEDMN C=C(C)CN1CC[C@@H]2CN(C(=O)[C@H]3CN(C(C)=O)CCO3)[C@@H]2C1 ZINC001084805600 758052005 /nfs/dbraw/zinc/05/20/05/758052005.db2.gz WWQXQFXTGVRJIK-BZUAXINKSA-N 0 1 321.421 0.343 20 30 DCEDMN C[C@H](CN1CCOCC1)C(=O)N1C[C@H]2CCN(CC#N)C[C@H]21 ZINC001084834203 758069429 /nfs/dbraw/zinc/06/94/29/758069429.db2.gz QEQGFTHQWWRUEH-RBSFLKMASA-N 0 1 306.410 0.011 20 30 DCEDMN C[C@@H](C#N)C(=O)N1CC[C@H]2CCN(CC(=O)N3CCC3)[C@H]2C1 ZINC001084906126 758116835 /nfs/dbraw/zinc/11/68/35/758116835.db2.gz CHAXBKUPSBOBHR-MJBXVCDLSA-N 0 1 304.394 0.301 20 30 DCEDMN C#CCN1CC[C@@H]2CCN(C(=O)[C@H]3CCCN(C(C)=O)C3)C[C@@H]21 ZINC001084983872 758154431 /nfs/dbraw/zinc/15/44/31/758154431.db2.gz RJSMWNMPCRIHQG-IKGGRYGDSA-N 0 1 317.433 0.801 20 30 DCEDMN C#CCN1CC[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(=O)N(C)C)C[C@@H]21 ZINC001085033585 758175627 /nfs/dbraw/zinc/17/56/27/758175627.db2.gz OKTTXKCGZLNVGM-KBXIAJHMSA-N 0 1 303.406 0.267 20 30 DCEDMN C#CCN1CC[C@@H]2CCN(C(=O)[C@H]3CCC(=O)N(C)C3)C[C@@H]21 ZINC001085101631 758207382 /nfs/dbraw/zinc/20/73/82/758207382.db2.gz VYKHSCBYCPJBSI-ILXRZTDVSA-N 0 1 303.406 0.411 20 30 DCEDMN CN1CCC[C@H]1C(=O)N[C@@]1(C)CCN(c2cncc(C#N)n2)C1 ZINC001065216054 758227239 /nfs/dbraw/zinc/22/72/39/758227239.db2.gz RIRZSFSXZAKVLI-BBRMVZONSA-N 0 1 314.393 0.527 20 30 DCEDMN C#CCCN1CCOC[C@@H]1CNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC001050912345 758238703 /nfs/dbraw/zinc/23/87/03/758238703.db2.gz CIBOAPSGTDGZHD-KBPBESRZSA-N 0 1 316.405 0.670 20 30 DCEDMN C#CCN1CCOC[C@H]1CNC(=O)c1[nH]nc(CC)c1Cl ZINC001050956597 758298665 /nfs/dbraw/zinc/29/86/65/758298665.db2.gz WCIYIPFBOYBVIH-SNVBAGLBSA-N 0 1 310.785 0.689 20 30 DCEDMN C#CCN1CCOC[C@H]1CNC(=O)c1ccc2cncn2c1C ZINC001050997670 758350515 /nfs/dbraw/zinc/35/05/15/758350515.db2.gz YCNOBMZQUWAMNT-OAHLLOKOSA-N 0 1 312.373 0.707 20 30 DCEDMN N#CCN1CCOC[C@H]1CNC(=O)c1[nH]nc(C2CC2)c1Cl ZINC001051001456 758356752 /nfs/dbraw/zinc/35/67/52/758356752.db2.gz RTMQGQWSSRTDIW-SNVBAGLBSA-N 0 1 323.784 0.895 20 30 DCEDMN C=CCN1CCOC[C@@H]1CNC(=O)c1ccc2cncn2c1 ZINC001051028665 758383226 /nfs/dbraw/zinc/38/32/26/758383226.db2.gz UJNAJJBVMOACMH-HNNXBMFYSA-N 0 1 300.362 0.951 20 30 DCEDMN C=CCCC(=O)NC[C@@H]1CN(C(=O)c2[nH]nnc2C)CCO1 ZINC001065414765 758390765 /nfs/dbraw/zinc/39/07/65/758390765.db2.gz CYACSWFNHJMIMO-LLVKDONJSA-N 0 1 307.354 0.037 20 30 DCEDMN C#CCN1CCOC[C@@H]1CNC(=O)c1occc1CN(C)C ZINC001051084857 758424358 /nfs/dbraw/zinc/42/43/58/758424358.db2.gz WNSWFVQVTWNVOE-AWEZNQCLSA-N 0 1 305.378 0.405 20 30 DCEDMN C=C(C)CN1CCOC[C@H]1CNC(=O)[C@H]1CCCc2n[nH]nc21 ZINC001051090097 758429171 /nfs/dbraw/zinc/42/91/71/758429171.db2.gz SKIXLCQPFNMBQP-OLZOCXBDSA-N 0 1 319.409 0.618 20 30 DCEDMN CC#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH]cnc21 ZINC001051100956 758435184 /nfs/dbraw/zinc/43/51/84/758435184.db2.gz HKMRPWGLCLIDDY-UONOGXRCSA-N 0 1 316.405 0.670 20 30 DCEDMN C=CCCCC(=O)N1CCO[C@H](CNC(=O)[C@@H]2CCCN2C)C1 ZINC001065544202 758463538 /nfs/dbraw/zinc/46/35/38/758463538.db2.gz NOBYHPXIEYNJHZ-CABCVRRESA-N 0 1 323.437 0.781 20 30 DCEDMN C#CCN1CCOC[C@H]1CNC(=O)c1[nH]nc2c1CCCCC2 ZINC001051243380 758537980 /nfs/dbraw/zinc/53/79/80/758537980.db2.gz IOPVDOCXZPBLHA-CYBMUJFWSA-N 0 1 316.405 0.742 20 30 DCEDMN C#CCN1CCc2c(CNC(=O)c3nnn(C)n3)cccc2C1 ZINC001051297289 758570724 /nfs/dbraw/zinc/57/07/24/758570724.db2.gz KMKLBTPWWLJHMC-UHFFFAOYSA-N 0 1 310.361 0.131 20 30 DCEDMN Cc1nn[nH]c1C(=O)N1CC[C@H]([C@H](C)NC(=O)C#CC2CC2)C1 ZINC001051320522 758576678 /nfs/dbraw/zinc/57/66/78/758576678.db2.gz STEGIWNNKYZVFT-GWCFXTLKSA-N 0 1 315.377 0.493 20 30 DCEDMN COCC(=O)N1CCO[C@@H](CNCc2cc(C#N)ccc2F)C1 ZINC001051376806 758598437 /nfs/dbraw/zinc/59/84/37/758598437.db2.gz UNSZJMNXHGTBIC-AWEZNQCLSA-N 0 1 321.352 0.661 20 30 DCEDMN COc1ccc(C#N)cc1CNC[C@@H]1CN(C(C)=O)CCO1 ZINC001051385452 758609754 /nfs/dbraw/zinc/60/97/54/758609754.db2.gz ZBFOROOWJKCURS-OAHLLOKOSA-N 0 1 303.362 0.904 20 30 DCEDMN C=CCCC(=O)N[C@@H]1CCCN(C(=O)Cc2ncn[nH]2)CC1 ZINC001065971575 758659941 /nfs/dbraw/zinc/65/99/41/758659941.db2.gz WAVWBWORYOKSDA-GFCCVEGCSA-N 0 1 305.382 0.811 20 30 DCEDMN N#Cc1cncc(N2C[C@@H]3CN(C(=O)Cc4ccn[nH]4)C[C@@H]3C2)n1 ZINC001065982240 758665956 /nfs/dbraw/zinc/66/59/56/758665956.db2.gz AFEDHMPIEOIYRO-TXEJJXNPSA-N 0 1 323.360 0.209 20 30 DCEDMN N#Cc1cnccc1N1C[C@@H]2CN(C(=O)Cc3ccn[nH]3)C[C@@H]2C1 ZINC001065984177 758666957 /nfs/dbraw/zinc/66/69/57/758666957.db2.gz ZCFJYHFXDYHTQR-OKILXGFUSA-N 0 1 322.372 0.814 20 30 DCEDMN CCn1ccc(CNC[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)n1 ZINC001051494034 758711088 /nfs/dbraw/zinc/71/10/88/758711088.db2.gz DAIXSYWMCRFFII-TZMCWYRMSA-N 0 1 305.382 0.380 20 30 DCEDMN Cc1nc([C@H](C)NC[C@H]2CN(C(=O)C#CC3CC3)CCO2)n[nH]1 ZINC001051608333 758802166 /nfs/dbraw/zinc/80/21/66/758802166.db2.gz BXGHFMJKEWJNLD-FZMZJTMJSA-N 0 1 317.393 0.405 20 30 DCEDMN O=C(C#CC1CC1)N1CCO[C@@H](CNCc2cnns2)C1 ZINC001051608603 758802756 /nfs/dbraw/zinc/80/27/56/758802756.db2.gz FPEHYBXSLIRJFI-LBPRGKRZSA-N 0 1 306.391 0.269 20 30 DCEDMN Cn1ccc(CNC[C@@H]2CN(C(=O)C#CC3CC3)CCO2)n1 ZINC001051610282 758804218 /nfs/dbraw/zinc/80/42/18/758804218.db2.gz BYEBZISCTVSYLX-OAHLLOKOSA-N 0 1 302.378 0.151 20 30 DCEDMN Cc1cc(CNC[C@@H]2CN(C(=O)C#CC3CC3)CCO2)on1 ZINC001051609569 758804695 /nfs/dbraw/zinc/80/46/95/758804695.db2.gz WQEONSSKSXAMSV-OAHLLOKOSA-N 0 1 303.362 0.713 20 30 DCEDMN Cc1cc(CNC[C@H]2CN(C(=O)C#CC3CC3)CCO2)ncn1 ZINC001051609532 758805226 /nfs/dbraw/zinc/80/52/26/758805226.db2.gz VWFMEKCXDCSGAG-INIZCTEOSA-N 0 1 314.389 0.515 20 30 DCEDMN C=C(C)C(C)(C)C(=O)N1CCO[C@H](CNCc2cnnn2C)C1 ZINC001051752711 758918125 /nfs/dbraw/zinc/91/81/25/758918125.db2.gz OFGWCSXQOXXASZ-CQSZACIVSA-N 0 1 321.425 0.734 20 30 DCEDMN C[C@H](CNC(=O)[C@H]1CCCCN1C)Nc1cnc(C#N)cn1 ZINC001098383273 758918054 /nfs/dbraw/zinc/91/80/54/758918054.db2.gz IARSCSJESXQLKA-DGCLKSJQSA-N 0 1 302.382 0.749 20 30 DCEDMN C#CCCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCOC3)C2)CC1 ZINC001051996851 759100447 /nfs/dbraw/zinc/10/04/47/759100447.db2.gz WCISCDSRGTYZRA-IAGOWNOFSA-N 0 1 319.449 0.655 20 30 DCEDMN C#CCCN1CCN([C@@H]2CCN(C(=O)c3cocn3)C2)CC1 ZINC001051998158 759101292 /nfs/dbraw/zinc/10/12/92/759101292.db2.gz OAPXEQCFQDLVCV-CQSZACIVSA-N 0 1 302.378 0.530 20 30 DCEDMN C=C(C)CN1CCN([C@@H]2CCN(C(=O)c3cncnc3)C2)CC1 ZINC001052017924 759117160 /nfs/dbraw/zinc/11/71/60/759117160.db2.gz YXEXSWVCXAGZJG-MRXNPFEDSA-N 0 1 315.421 0.885 20 30 DCEDMN C#CCCN1CCN([C@H]2CCN(C(=O)[C@]3(F)CCOC3)C2)CC1 ZINC001052071392 759158422 /nfs/dbraw/zinc/15/84/22/759158422.db2.gz UBCDLESSUMPCNN-RDJZCZTQSA-N 0 1 323.412 0.357 20 30 DCEDMN C=CCn1cc(C(=O)N2CC[C@@H](N3CCN(CC)CC3)C2)nn1 ZINC001052092519 759173190 /nfs/dbraw/zinc/17/31/90/759173190.db2.gz ALLPODIDZKDXAN-CQSZACIVSA-N 0 1 318.425 0.316 20 30 DCEDMN C#CCCN1CCN([C@H]2CCN(C(=O)Cn3ccnc3)C2)CC1 ZINC001052123908 759194092 /nfs/dbraw/zinc/19/40/92/759194092.db2.gz SYOAFZXAGGDSHP-INIZCTEOSA-N 0 1 315.421 0.125 20 30 DCEDMN C#CCCN1CC[C@H]1CN(C)C(=O)C1CCC(C(N)=O)CC1 ZINC001085686929 759194779 /nfs/dbraw/zinc/19/47/79/759194779.db2.gz DEYLQVHYEBBWJL-NRXISQOPSA-N 0 1 305.422 0.834 20 30 DCEDMN Cc1ncc(C(=O)N2C[C@H](C)OC3(CCN(CC#N)CC3)C2)[nH]1 ZINC001098577691 762692670 /nfs/dbraw/zinc/69/26/70/762692670.db2.gz HPACWNYRNPKSNK-LBPRGKRZSA-N 0 1 317.393 0.937 20 30 DCEDMN C=CCCC(=O)N1C[C@H](C)[C@@H](CNC(=O)CCc2nc[nH]n2)C1 ZINC001052180483 759221102 /nfs/dbraw/zinc/22/11/02/759221102.db2.gz COEQNHILDPXDMU-STQMWFEESA-N 0 1 319.409 0.914 20 30 DCEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(-n2cncn2)nc1 ZINC001085753563 759263606 /nfs/dbraw/zinc/26/36/06/759263606.db2.gz JQVAGCIELCITPW-OAHLLOKOSA-N 0 1 324.388 0.832 20 30 DCEDMN C#CCN1CCC2(CC1)CN(C(=O)c1csnn1)C[C@H](C)O2 ZINC001098624053 762700935 /nfs/dbraw/zinc/70/09/35/762700935.db2.gz YAXJTIAIOFIXFX-LBPRGKRZSA-N 0 1 320.418 0.867 20 30 DCEDMN Cc1ncc(C(=O)N2CC[C@H](n3cc(CNCC#N)nn3)C2)[nH]1 ZINC001098637759 762703132 /nfs/dbraw/zinc/70/31/32/762703132.db2.gz QOJWFPUWZRMYKM-LBPRGKRZSA-N 0 1 314.353 0.010 20 30 DCEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1ccnc2nc(C)nn21 ZINC001085923475 759475184 /nfs/dbraw/zinc/47/51/84/759475184.db2.gz ZDBIOIMMGLKJML-CYBMUJFWSA-N 0 1 312.377 0.602 20 30 DCEDMN CC(C)C#CC(=O)N1C[C@H](C)[C@H](CNC(=O)CN2CCCC2)C1 ZINC001052549296 759488796 /nfs/dbraw/zinc/48/87/96/759488796.db2.gz SKYKJBZIYLHVKH-JKSUJKDBSA-N 0 1 319.449 0.952 20 30 DCEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1cnn(CCOC)c1 ZINC001085949490 759508081 /nfs/dbraw/zinc/50/80/81/759508081.db2.gz HCMCORFLTQDWHN-HNNXBMFYSA-N 0 1 304.394 0.699 20 30 DCEDMN 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CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)n1cncn1 ZINC001039359249 694347442 /nfs/dbraw/zinc/34/74/42/694347442.db2.gz DHCJIPQUJCEUND-ZNMIVQPWSA-N 0 1 301.394 0.928 20 30 DCEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CCNC(=O)C1 ZINC001039394433 694355504 /nfs/dbraw/zinc/35/55/04/694355504.db2.gz ZWCCHAUIUIVLET-RVKKMQEKSA-N 0 1 317.433 0.991 20 30 DCEDMN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cn(C)c(=O)cn1 ZINC001039407648 694358770 /nfs/dbraw/zinc/35/87/70/694358770.db2.gz AIBNYGDZMXCTCS-OLZOCXBDSA-N 0 1 302.378 0.645 20 30 DCEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)c2nc3ncccn3n2)C1 ZINC000968444115 690271883 /nfs/dbraw/zinc/27/18/83/690271883.db2.gz FVLBIHSICZTLCX-VXGBXAGGSA-N 0 1 300.366 0.751 20 30 DCEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCN(C(C)=O)C1 ZINC001039402189 694357100 /nfs/dbraw/zinc/35/71/00/694357100.db2.gz LPYYTSZDQFHNOW-ZACQAIPSSA-N 0 1 317.433 0.943 20 30 DCEDMN CC#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CNC(=O)C1 ZINC001039409939 694358571 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C#CCN1CCCCC[C@@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC000969070961 690462855 /nfs/dbraw/zinc/46/28/55/690462855.db2.gz YNDGTRYJPHUAQJ-CYBMUJFWSA-N 0 1 305.378 0.033 20 30 DCEDMN CC#CCN1CC([C@@H](C)NC(=O)[C@H]2CCc3nncn3CC2)C1 ZINC000970183145 690473486 /nfs/dbraw/zinc/47/34/86/690473486.db2.gz XUUXKAZTLZGARI-KGLIPLIRSA-N 0 1 315.421 0.690 20 30 DCEDMN N#Cc1ccc(C(=O)N[C@@H]2CCCN(CCn3cccn3)C2)[nH]1 ZINC001007098330 690627585 /nfs/dbraw/zinc/62/75/85/690627585.db2.gz IKAJFABFEWGWGC-CQSZACIVSA-N 0 1 312.377 0.977 20 30 DCEDMN N#CCN1CCC[C@H](NC(=O)Cc2n[nH]c3c2CCCC3)C1 ZINC001007332152 690665653 /nfs/dbraw/zinc/66/56/53/690665653.db2.gz GLLZOZMSXQDWHL-LBPRGKRZSA-N 0 1 301.394 0.935 20 30 DCEDMN CC#CCN1CCC[C@@H](NC(=O)c2cnc3ccccn3c2=O)C1 ZINC001007671762 690725884 /nfs/dbraw/zinc/72/58/84/690725884.db2.gz DDWWFIJFUKGGFS-CQSZACIVSA-N 0 1 324.384 0.912 20 30 DCEDMN C#CCCN1CCC[C@@H](NC(=O)c2cnc3[nH]c(=O)[nH]c3c2)C1 ZINC001007713086 690732679 /nfs/dbraw/zinc/73/26/79/690732679.db2.gz 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C=CCCN1CC[C@@H](NC(=O)C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC001015957214 692521588 /nfs/dbraw/zinc/52/15/88/692521588.db2.gz QOUPZEHIBIJQIZ-UONOGXRCSA-N 0 1 314.451 0.968 20 30 DCEDMN C#CCCN1CC[C@H](NC(=O)c2cn([C@H]3CCOC3)nn2)C1 ZINC001015959316 692522770 /nfs/dbraw/zinc/52/27/70/692522770.db2.gz CJLXHZBLIMBWKV-STQMWFEESA-N 0 1 303.366 0.067 20 30 DCEDMN C#CCCN1CC[C@@H](NC(=O)c2cn(C3CCOCC3)nn2)C1 ZINC001015962978 692523858 /nfs/dbraw/zinc/52/38/58/692523858.db2.gz KKHNMZUAQBTDJI-CYBMUJFWSA-N 0 1 317.393 0.457 20 30 DCEDMN N#Cc1ccc(CN2CC[C@@H](NC(=O)Cc3nnc[nH]3)C2)s1 ZINC001015968305 692527228 /nfs/dbraw/zinc/52/72/28/692527228.db2.gz VECXUBPWLARYAP-SNVBAGLBSA-N 0 1 316.390 0.671 20 30 DCEDMN C[C@@H](C#N)C(=O)N1CCC([C@H](C)NC(=O)[C@H]2CCCN2C)CC1 ZINC001015988747 692537137 /nfs/dbraw/zinc/53/71/37/692537137.db2.gz PUUBUKSSPPKHOY-KCQAQPDRSA-N 0 1 320.437 0.984 20 30 DCEDMN C#CCOc1ncccc1C(=O)N[C@H]1CCN([C@@H](C)COC)C1 ZINC001016020402 692550639 /nfs/dbraw/zinc/55/06/39/692550639.db2.gz 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C#CCN1CCCCC[C@H]1CNC(=O)c1cc(C(N)=O)c[nH]1 ZINC000969093801 690468318 /nfs/dbraw/zinc/46/83/18/690468318.db2.gz YZGRHPTVJFFZMN-ZDUSSCGKSA-N 0 1 302.378 0.721 20 30 DCEDMN CC#CCN1CC([C@H](C)NC(=O)[C@H]2CCc3nnn(C)c3C2)C1 ZINC000970333304 690473526 /nfs/dbraw/zinc/47/35/26/690473526.db2.gz BFQKCMBHUMGMEG-STQMWFEESA-N 0 1 315.421 0.380 20 30 DCEDMN CC#CCN1CC([C@@H](C)NC(=O)[C@@H]2CCc3nnn(C)c3C2)C1 ZINC000970333301 690473638 /nfs/dbraw/zinc/47/36/38/690473638.db2.gz BFQKCMBHUMGMEG-CHWSQXEVSA-N 0 1 315.421 0.380 20 30 DCEDMN C=CCN1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(CCOC)C2)C1 ZINC001007445402 690680831 /nfs/dbraw/zinc/68/08/31/690680831.db2.gz AJJPXHKGIIDAIX-ZIAGYGMSSA-N 0 1 309.410 0.248 20 30 DCEDMN CC1(C)CN(C(=O)C#CC2CC2)C[C@H]1NC(=O)c1[nH]ncc1F ZINC001008559691 690891009 /nfs/dbraw/zinc/89/10/09/690891009.db2.gz IZWZCLAYVRIMAS-GFCCVEGCSA-N 0 1 318.352 0.929 20 30 DCEDMN C#CCCN1CCC[C@H](NC(=O)C(=O)N2CCC[C@H](C)C2)C1 ZINC001008774794 690923895 /nfs/dbraw/zinc/92/38/95/690923895.db2.gz 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C#CCN1CCOC[C@@H]1CNC(=O)c1n[nH]c2ccc(C)cc21 ZINC001051005891 758363318 /nfs/dbraw/zinc/36/33/18/758363318.db2.gz GLAWPGKMFWTNJT-ZDUSSCGKSA-N 0 1 312.373 0.935 20 30 DCEDMN C=C(C)C[C@H](C)C(=O)N1CCO[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC001065491672 758434788 /nfs/dbraw/zinc/43/47/88/758434788.db2.gz VRLGVUUDLDCUEX-NWDGAFQWSA-N 0 1 321.381 0.364 20 30 DCEDMN N#CCN1CCOC[C@H]1CNC(=O)[C@H]1CCCc2[nH]cnc21 ZINC001051110368 758441375 /nfs/dbraw/zinc/44/13/75/758441375.db2.gz ZCVNQMDMHSQFJI-NEPJUHHUSA-N 0 1 303.366 0.170 20 30 DCEDMN N#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCCc2[nH]cnc21 ZINC001051110370 758441682 /nfs/dbraw/zinc/44/16/82/758441682.db2.gz ZCVNQMDMHSQFJI-RYUDHWBXSA-N 0 1 303.366 0.170 20 30 DCEDMN C=CCNc1ncc(C(=O)N2CCOC[C@@H]2c2nn[nH]n2)s1 ZINC001170382187 762630955 /nfs/dbraw/zinc/63/09/55/762630955.db2.gz FEGREMFRNYQVEA-MRVPVSSYSA-N 0 1 321.366 0.468 20 30 DCEDMN CC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3n[nH]nc3C1)C2 ZINC001098209315 762634066 /nfs/dbraw/zinc/63/40/66/762634066.db2.gz 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30 DCEDMN C#CCCN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccnc1C(N)=O)C2 ZINC001098452660 762676158 /nfs/dbraw/zinc/67/61/58/762676158.db2.gz MEYCUFOFWXMFEF-BNOWGMLFSA-N 0 1 312.373 0.539 20 30 DCEDMN CN1CCC[C@H]1C(=O)NCC1CC(Nc2ccnc(C#N)n2)C1 ZINC001051868994 758997578 /nfs/dbraw/zinc/99/75/78/758997578.db2.gz YLYOWUOXNRMZAG-BPCQOVAHSA-N 0 1 314.393 0.171 20 30 DCEDMN C=C1CC(C)(C(=O)N2CCC(N(CCO)CC(N)=O)CC2)C1 ZINC001098474077 762678289 /nfs/dbraw/zinc/67/82/89/762678289.db2.gz LBJIHXOLBYHIFS-UHFFFAOYSA-N 0 1 309.410 0.113 20 30 DCEDMN C[C@H](CNC(=O)CCc1c[nH]nn1)N(C)c1ccncc1C#N ZINC001113906272 762681224 /nfs/dbraw/zinc/68/12/24/762681224.db2.gz HAJVGPDPVHMFJH-LLVKDONJSA-N 0 1 313.365 0.645 20 30 DCEDMN C[C@H](CNC(=O)CCc1cnn[nH]1)N(C)c1ccncc1C#N ZINC001113906272 762681225 /nfs/dbraw/zinc/68/12/25/762681225.db2.gz HAJVGPDPVHMFJH-LLVKDONJSA-N 0 1 313.365 0.645 20 30 DCEDMN C=C(C)CN1CCN([C@H]2CCN(C(=O)C3=COCCO3)C2)CC1 ZINC001051975610 759076516 /nfs/dbraw/zinc/07/65/16/759076516.db2.gz UHLPTBQNASYCSG-HNNXBMFYSA-N 0 1 321.421 0.669 20 30 DCEDMN C#CCCN1CCN([C@H]2CCN(C(=O)c3cnsn3)C2)CC1 ZINC001051990442 759091266 /nfs/dbraw/zinc/09/12/66/759091266.db2.gz BMKGYXTYOYLPGO-ZDUSSCGKSA-N 0 1 319.434 0.394 20 30 DCEDMN C#CCCN1CCN([C@H]2CCN(C(=O)c3ccnn3C)C2)CC1 ZINC001051996017 759098297 /nfs/dbraw/zinc/09/82/97/759098297.db2.gz JRSVHLREGOUSPV-HNNXBMFYSA-N 0 1 315.421 0.276 20 30 DCEDMN C#CCCN1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCCO3)C2)CC1 ZINC001052015072 759114693 /nfs/dbraw/zinc/11/46/93/759114693.db2.gz MXRNUPLXOUDKLK-SJORKVTESA-N 0 1 319.449 0.797 20 30 DCEDMN C=CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001086609954 762690454 /nfs/dbraw/zinc/69/04/54/762690454.db2.gz GTMPRJZNZXFHNC-FXUDXRNXSA-N 0 1 313.401 0.878 20 30 DCEDMN C=CCOCC(=O)NC[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@H]1C ZINC001052057219 759147567 /nfs/dbraw/zinc/14/75/67/759147567.db2.gz PQODGWQUBMQZPF-VXGBXAGGSA-N 0 1 306.366 0.437 20 30 DCEDMN C=CC(C)(C)C(=O)N1CC[C@@H](N2CCN(C[C@@H](C)O)CC2)C1 ZINC001052062095 759150217 /nfs/dbraw/zinc/15/02/17/759150217.db2.gz DFPHJUFXALLNIT-HUUCEWRRSA-N 0 1 309.454 0.798 20 30 DCEDMN C=C(C)CN1CCN([C@@H]2CCN(C(=O)c3n[nH]cc3F)C2)CC1 ZINC001052079992 759164296 /nfs/dbraw/zinc/16/42/96/759164296.db2.gz TTWJYNQAFOLITG-CYBMUJFWSA-N 0 1 321.400 0.957 20 30 DCEDMN C=CCOCC(=O)NC[C@H]1CN(C(=O)c2cc(C)[nH]n2)C[C@@H]1C ZINC001052110980 759186566 /nfs/dbraw/zinc/18/65/66/759186566.db2.gz VOMUDLQAHOEYHN-AAEUAGOBSA-N 0 1 320.393 0.745 20 30 DCEDMN C=CCCN1CCO[C@@](C)(CNC(=O)[C@@H]2CCCCC(=O)N2)C1 ZINC001108206722 759233488 /nfs/dbraw/zinc/23/34/88/759233488.db2.gz HSTKMBUZEBTNCH-YOEHRIQHSA-N 0 1 323.437 0.828 20 30 DCEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1cnc2c(c1)nnn2C ZINC001085727250 759237683 /nfs/dbraw/zinc/23/76/83/759237683.db2.gz SIMXAZFFMGSZCK-ZDUSSCGKSA-N 0 1 312.377 0.533 20 30 DCEDMN C#CCCNCc1cn([C@@H]2CCN(C(=O)c3cn[nH]c3)C2)nn1 ZINC001098622527 762700790 /nfs/dbraw/zinc/70/07/90/762700790.db2.gz LDBLWSXYEKCUOV-CQSZACIVSA-N 0 1 313.365 0.201 20 30 DCEDMN CC#CCN1CC[C@@H]1CN(C)C(=O)[C@H]1CN(C(C)C)CCO1 ZINC001085781646 759304854 /nfs/dbraw/zinc/30/48/54/759304854.db2.gz AZDWPNFWFFVLBN-HZPDHXFCSA-N 0 1 307.438 0.652 20 30 DCEDMN C[C@@H](C(N)=O)N1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001052289421 759307113 /nfs/dbraw/zinc/30/71/13/759307113.db2.gz YZQPVIKPFMDDLT-JQWIXIFHSA-N 0 1 303.366 0.344 20 30 DCEDMN CC#CCN1CCO[C@](C)(CNC(=O)CN2CCC[C@@H]2C)C1 ZINC001108212960 759388778 /nfs/dbraw/zinc/38/87/78/759388778.db2.gz KFZQVYQQSGJRPE-DOTOQJQBSA-N 0 1 307.438 0.701 20 30 DCEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1ccc2n[nH]c(=O)n2c1 ZINC001085870046 759409127 /nfs/dbraw/zinc/40/91/27/759409127.db2.gz IHDAMTHDJTVMJW-CYBMUJFWSA-N 0 1 313.361 0.605 20 30 DCEDMN CN(C[C@@H]1CCN1CC#N)C(=O)c1n[nH]cc1Br ZINC001085877055 759419324 /nfs/dbraw/zinc/41/93/24/759419324.db2.gz RBFBXBKTBKTLQT-QMMMGPOBSA-N 0 1 312.171 0.842 20 30 DCEDMN C=CCn1cccc1C(=O)N[C@@H]1CCCN(CC(N)=O)CC1 ZINC001052443860 759421715 /nfs/dbraw/zinc/42/17/15/759421715.db2.gz AJDOTDFVBOSZEX-CYBMUJFWSA-N 0 1 304.394 0.744 20 30 DCEDMN C#CCCCC(=O)N1C[C@H](C)[C@H](CNC(=O)c2ncn[nH]2)C1 ZINC001052478419 759440687 /nfs/dbraw/zinc/44/06/87/759440687.db2.gz QBDVCLUKGGTSIH-NWDGAFQWSA-N 0 1 303.366 0.433 20 30 DCEDMN C#CCCCC(=O)N1C[C@H](C)[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC001052478419 759440689 /nfs/dbraw/zinc/44/06/89/759440689.db2.gz QBDVCLUKGGTSIH-NWDGAFQWSA-N 0 1 303.366 0.433 20 30 DCEDMN C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C(=O)NC)nc1 ZINC001085930633 759482468 /nfs/dbraw/zinc/48/24/68/759482468.db2.gz BYAGFTWLGLEIMR-CQSZACIVSA-N 0 1 314.389 0.611 20 30 DCEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1ccc(C(=O)NC)nc1 ZINC001085930633 759482474 /nfs/dbraw/zinc/48/24/74/759482474.db2.gz BYAGFTWLGLEIMR-CQSZACIVSA-N 0 1 314.389 0.611 20 30 DCEDMN CC(C)C#CC(=O)N1C[C@H](C)[C@H](CNC(=O)Cc2cnc[nH]2)C1 ZINC001052548669 759489410 /nfs/dbraw/zinc/48/94/10/759489410.db2.gz PDGSIKAYTULXNF-UONOGXRCSA-N 0 1 316.405 0.822 20 30 DCEDMN C=CCOCC(=O)NC[C@H]1CN(C(=O)CN2CCCC2)C[C@H]1C ZINC001052640372 759535703 /nfs/dbraw/zinc/53/57/03/759535703.db2.gz HCHJVCLJBWWKJR-CABCVRRESA-N 0 1 323.437 0.496 20 30 DCEDMN C=CCC(C)(C)C(=O)N[C@@H]1CCN(CCn2cncn2)C[C@@H]1O ZINC001100020768 759579402 /nfs/dbraw/zinc/57/94/02/759579402.db2.gz SBDZNKFJGDYDFN-KGLIPLIRSA-N 0 1 321.425 0.432 20 30 DCEDMN CN(C(=O)c1ccn[nH]1)C1CCN(c2ccc(C#N)nn2)CC1 ZINC001058027384 759693572 /nfs/dbraw/zinc/69/35/72/759693572.db2.gz FPPZHLHJPSSAPZ-UHFFFAOYSA-N 0 1 311.349 0.812 20 30 DCEDMN CN1CCCC[C@@H]1C(=O)NC[C@@H](CO)Nc1ccc(C#N)nc1 ZINC001122861382 767886624 /nfs/dbraw/zinc/88/66/24/767886624.db2.gz SGTYKOWHZMJCPJ-LSDHHAIUSA-N 0 1 317.393 0.327 20 30 DCEDMN N#Cc1ccc(N2CCC[C@H](NC(=O)Cc3nnc[nH]3)C2)cn1 ZINC001058194319 759799630 /nfs/dbraw/zinc/79/96/30/759799630.db2.gz SZSSNRYWESJPKI-LBPRGKRZSA-N 0 1 311.349 0.399 20 30 DCEDMN C#Cc1cncc(C(=O)NC[C@H]2C[C@@H](NCc3nnc(C)[nH]3)C2)c1 ZINC001086193625 759827695 /nfs/dbraw/zinc/82/76/95/759827695.db2.gz KIYZGDURWPPWNU-OTVXOJSOSA-N 0 1 324.388 0.788 20 30 DCEDMN C=CC(C)(C)CC(=O)NCCN(CCO)C(=O)c1[nH]nnc1C ZINC001058278479 759843177 /nfs/dbraw/zinc/84/31/77/759843177.db2.gz QADHXHLGMHQXGC-UHFFFAOYSA-N 0 1 323.397 0.266 20 30 DCEDMN C=CCN1CC[C@@H](NC(=O)CCC(=O)NC2CCCC2)[C@H](O)C1 ZINC001100046663 759861432 /nfs/dbraw/zinc/86/14/32/759861432.db2.gz PXNQKLIHWNBTTM-HUUCEWRRSA-N 0 1 323.437 0.563 20 30 DCEDMN COCC#CCN1CCC2(CN(C(=O)c3coc(OC)n3)C2)C1 ZINC001147993665 767901816 /nfs/dbraw/zinc/90/18/16/767901816.db2.gz YYHNSBXBJHXXCY-UHFFFAOYSA-N 0 1 319.361 0.481 20 30 DCEDMN C#CCNC(=O)[C@H](C)N1CCC2(CN(C(=O)C3(C)CCC3)C2)C1 ZINC001148052505 767906096 /nfs/dbraw/zinc/90/60/96/767906096.db2.gz CVZKOLAHACDJLC-AWEZNQCLSA-N 0 1 317.433 0.849 20 30 DCEDMN C[C@@H](C#N)C(=O)N[C@H]1CCCN(C(=O)CCc2nc[nH]n2)CC1 ZINC001066475897 759970492 /nfs/dbraw/zinc/97/04/92/759970492.db2.gz SWEHVJXMHHMFND-RYUDHWBXSA-N 0 1 318.381 0.394 20 30 DCEDMN N#Cc1c(F)cccc1N1CC[C@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001058441749 760006971 /nfs/dbraw/zinc/00/69/71/760006971.db2.gz KRDQSNRBOIEVGR-JTQLQIEISA-N 0 1 314.324 0.753 20 30 DCEDMN Cc1cc(N2CC[C@H](NC(=O)Cc3nnc[nH]3)C2)c(C#N)cn1 ZINC001058443780 760009982 /nfs/dbraw/zinc/00/99/82/760009982.db2.gz UJFHJIQSZWYSCO-LBPRGKRZSA-N 0 1 311.349 0.317 20 30 DCEDMN C#CCNC(=O)[C@H](C)N1CCC2(CN(C(=O)[C@@H]3C[C@H]3C)C2)C1 ZINC001148039115 767910841 /nfs/dbraw/zinc/91/08/41/767910841.db2.gz BUFASGHWBQQPBZ-HZSPNIEDSA-N 0 1 303.406 0.315 20 30 DCEDMN C=CCN1CC[C@@H](NC(=O)c2cnn(CCCOC)c2)[C@H](O)C1 ZINC001100069053 760070854 /nfs/dbraw/zinc/07/08/54/760070854.db2.gz HCCODJIZTSVVTQ-HUUCEWRRSA-N 0 1 322.409 0.271 20 30 DCEDMN CN1CCC[C@H]1C(=O)NC1CC(CNc2cnc(C#N)cn2)C1 ZINC001067832404 760135205 /nfs/dbraw/zinc/13/52/05/760135205.db2.gz NAGSSVDZGFMTGY-YIZWMMSDSA-N 0 1 314.393 0.749 20 30 DCEDMN N#Cc1nccnc1NCC1CC(NC(=O)c2[nH]ncc2F)C1 ZINC001067884338 760159446 /nfs/dbraw/zinc/15/94/46/760159446.db2.gz FZTZTKROLCBPJP-UHFFFAOYSA-N 0 1 315.312 0.831 20 30 DCEDMN C=C(Cl)CN[C@H]1C[C@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001086420797 760168149 /nfs/dbraw/zinc/16/81/49/760168149.db2.gz MUUYEFRMWBFGPY-SRVKXCTJSA-N 0 1 320.842 0.658 20 30 DCEDMN C[C@@H]1CCN(c2ncccc2C#N)C[C@@H]1NC(=O)c1ncn[nH]1 ZINC001067963838 760183245 /nfs/dbraw/zinc/18/32/45/760183245.db2.gz VLHDZTYFKHOOSX-PWSUYJOCSA-N 0 1 311.349 0.716 20 30 DCEDMN C[C@@H]1CCN(c2ncccc2C#N)C[C@@H]1NC(=O)c1nc[nH]n1 ZINC001067963838 760183249 /nfs/dbraw/zinc/18/32/49/760183249.db2.gz VLHDZTYFKHOOSX-PWSUYJOCSA-N 0 1 311.349 0.716 20 30 DCEDMN C[C@@H]1CCN(c2cncc(C#N)n2)C[C@H]1NC(=O)c1ncn[nH]1 ZINC001067968089 760186678 /nfs/dbraw/zinc/18/66/78/760186678.db2.gz VTQNTCQUCUONQB-MWLCHTKSSA-N 0 1 312.337 0.111 20 30 DCEDMN C[C@@H]1CCN(c2cncc(C#N)n2)C[C@H]1NC(=O)c1nc[nH]n1 ZINC001067968089 760186682 /nfs/dbraw/zinc/18/66/82/760186682.db2.gz VTQNTCQUCUONQB-MWLCHTKSSA-N 0 1 312.337 0.111 20 30 DCEDMN CCCc1cc(C(=O)N2CCC(N(CC#N)CCO)CC2)n[nH]1 ZINC001098445175 760267401 /nfs/dbraw/zinc/26/74/01/760267401.db2.gz MXKPPEYTQYKJMX-UHFFFAOYSA-N 0 1 319.409 0.785 20 30 DCEDMN Cc1cc(C#N)nc(NC[C@H](C)NC(=O)[C@@H]2CCCN2C)n1 ZINC001108290613 760315740 /nfs/dbraw/zinc/31/57/40/760315740.db2.gz PQGDQULJFQBZNW-AAEUAGOBSA-N 0 1 302.382 0.668 20 30 DCEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001108331002 760390022 /nfs/dbraw/zinc/39/00/22/760390022.db2.gz JMROCQAZNHFMPL-OAHLLOKOSA-N 0 1 307.398 0.521 20 30 DCEDMN C[C@@H](CNc1ncnc2[nH]cnc21)NC(=O)c1ccc(C#N)[nH]1 ZINC001108345632 760419991 /nfs/dbraw/zinc/41/99/91/760419991.db2.gz DJWOXEXRAAIHDG-QMMMGPOBSA-N 0 1 310.321 0.735 20 30 DCEDMN N#Cc1cncc(NC[C@H]2C[C@H](NC(=O)Cc3cnc[nH]3)C2)n1 ZINC001068595691 760430052 /nfs/dbraw/zinc/43/00/52/760430052.db2.gz OCUOFOOSSSTOSI-XYPYZODXSA-N 0 1 311.349 0.621 20 30 DCEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)Cn2cncn2)C1 ZINC001108384631 760453386 /nfs/dbraw/zinc/45/33/86/760453386.db2.gz XCXLAQKHMINJON-HNNXBMFYSA-N 0 1 307.398 0.451 20 30 DCEDMN Cc1cc(NC[C@H](C)NC(=O)CN2CCCC2)c(C#N)cn1 ZINC001108385035 760455221 /nfs/dbraw/zinc/45/52/21/760455221.db2.gz QBJXLHLOBIJLBB-ZDUSSCGKSA-N 0 1 301.394 0.696 20 30 DCEDMN CCOCCO[C@H](C)C(=O)N[C@@H]1[C@H]2CN(CC#CCOC)C[C@H]21 ZINC001115285821 760469698 /nfs/dbraw/zinc/46/96/98/760469698.db2.gz HYLWOUNAUALXQE-WCVJEAGWSA-N 0 1 324.421 0.124 20 30 DCEDMN C=CCCN1CCO[C@](C)(CNC(=O)CCN2CCCC2=O)C1 ZINC001108405358 760481469 /nfs/dbraw/zinc/48/14/69/760481469.db2.gz YYPJBTJINFBNKT-QGZVFWFLSA-N 0 1 323.437 0.782 20 30 DCEDMN C#CCN1CCO[C@@](C)(CNC(=O)[C@H]2CCCCN2CC)C1 ZINC001108420906 760510674 /nfs/dbraw/zinc/51/06/74/760510674.db2.gz BWXSLNDZUUWXIM-WBVHZDCISA-N 0 1 307.438 0.701 20 30 DCEDMN C[C@@H]1C[C@@H](Nc2ccnc(C#N)n2)CN1C(=O)Cc1ccn[nH]1 ZINC001069055888 760653833 /nfs/dbraw/zinc/65/38/33/760653833.db2.gz FGJADGIXIXVZRS-ZYHUDNBSSA-N 0 1 311.349 0.137 20 30 DCEDMN Cc1nn[nH]c1C(=O)N1C[C@@H](Nc2cnc(C#N)cn2)C[C@H]1C ZINC001069182911 760707780 /nfs/dbraw/zinc/70/77/80/760707780.db2.gz BTWVXFIPNUBJHP-SCZZXKLOSA-N 0 1 312.337 0.490 20 30 DCEDMN CCN(CC)C[C@H](F)C(=O)NC[C@H](C)Nc1ccc(C#N)nn1 ZINC001098087567 760723178 /nfs/dbraw/zinc/72/31/78/760723178.db2.gz KJVJOKMGJJKOMZ-AAEUAGOBSA-N 0 1 322.388 0.945 20 30 DCEDMN N#Cc1nccnc1NC[C@@H]1CC[C@@H](NC(=O)c2ncn[nH]2)C1 ZINC001069480673 760777591 /nfs/dbraw/zinc/77/75/91/760777591.db2.gz GBIHFELAAQDOOW-NXEZZACHSA-N 0 1 312.337 0.477 20 30 DCEDMN N#Cc1nccnc1NC[C@@H]1CC[C@@H](NC(=O)c2nc[nH]n2)C1 ZINC001069480673 760777597 /nfs/dbraw/zinc/77/75/97/760777597.db2.gz GBIHFELAAQDOOW-NXEZZACHSA-N 0 1 312.337 0.477 20 30 DCEDMN CN(C(=O)Cc1ccn[nH]1)C1CC(Nc2cncc(C#N)n2)C1 ZINC001069720476 760837275 /nfs/dbraw/zinc/83/72/75/760837275.db2.gz JIFMRLCGDSBPSH-UHFFFAOYSA-N 0 1 311.349 0.715 20 30 DCEDMN C=CCCN1CCC2(CN(C(=O)CCCS(C)(=O)=O)C2)C1 ZINC001148423751 767987631 /nfs/dbraw/zinc/98/76/31/767987631.db2.gz DRBYZVRQIHCXLZ-UHFFFAOYSA-N 0 1 314.451 0.922 20 30 DCEDMN CC(=O)N[C@@H](C(=O)NCCNCc1ccccc1C#N)C(C)C ZINC001148465593 767991251 /nfs/dbraw/zinc/99/12/51/767991251.db2.gz BOYSLENHVNFETP-MRXNPFEDSA-N 0 1 316.405 0.925 20 30 DCEDMN N#Cc1ccc(CNCCNC(=O)Cn2cccn2)c(F)c1 ZINC001123515762 767992426 /nfs/dbraw/zinc/99/24/26/767992426.db2.gz RDDNSALDWOOQDN-UHFFFAOYSA-N 0 1 301.325 0.800 20 30 DCEDMN C=CCCN1C[C@@H](NC(=O)c2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC001069894597 760939999 /nfs/dbraw/zinc/93/99/99/760939999.db2.gz BWRVCNUZQQVQMU-KGLIPLIRSA-N 0 1 315.381 0.243 20 30 DCEDMN C#CCCN1C[C@@H](NC(=O)[C@H]2CC2(F)F)[C@@H](n2ccnn2)C1 ZINC001069922817 760970381 /nfs/dbraw/zinc/97/03/81/760970381.db2.gz VHEOPFUDNXSUJI-UTUOFQBUSA-N 0 1 309.320 0.298 20 30 DCEDMN C=C(C)CN1CC[C@H](NC(=O)c2cc(Cl)n(C)n2)[C@H](O)C1 ZINC001090420796 761000031 /nfs/dbraw/zinc/00/00/31/761000031.db2.gz QQEGJZYQRJNHRL-CMPLNLGQSA-N 0 1 312.801 0.815 20 30 DCEDMN Cc1nc(NC[C@H](C)NC(=O)CCc2c[nH]nn2)ccc1C#N ZINC001108707293 761014525 /nfs/dbraw/zinc/01/45/25/761014525.db2.gz CNMZQWWYSBDZBL-JTQLQIEISA-N 0 1 313.365 0.929 20 30 DCEDMN Cc1nc(NC[C@H](C)NC(=O)CCc2cnn[nH]2)ccc1C#N ZINC001108707293 761014537 /nfs/dbraw/zinc/01/45/37/761014537.db2.gz CNMZQWWYSBDZBL-JTQLQIEISA-N 0 1 313.365 0.929 20 30 DCEDMN C#CCCN1C[C@@H](NC(=O)[C@]23C[C@H]2CCC3)[C@@H](n2ccnn2)C1 ZINC001069984637 761016406 /nfs/dbraw/zinc/01/64/06/761016406.db2.gz BAKBHCCYFUWSPV-PNBKFKSVSA-N 0 1 313.405 0.833 20 30 DCEDMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)CNc1ccncc1C#N ZINC001108741309 761026628 /nfs/dbraw/zinc/02/66/28/761026628.db2.gz UZFYMPHWGXBKMO-NEPJUHHUSA-N 0 1 312.377 0.894 20 30 DCEDMN C=CCCN1C[C@@H](NC(=O)[C@@]2(F)CCOC2)[C@@H](n2ccnn2)C1 ZINC001070007959 761030194 /nfs/dbraw/zinc/03/01/94/761030194.db2.gz JNGRHDFGJWFJSA-VNHYZAJKSA-N 0 1 323.372 0.324 20 30 DCEDMN C#CCN[C@@H]1CN(C(=O)c2ccc(C)nc2)C[C@@H]1n1ccnn1 ZINC001070148182 761107753 /nfs/dbraw/zinc/10/77/53/761107753.db2.gz QVSUWRMTBAZWSP-CABCVRRESA-N 0 1 310.361 0.270 20 30 DCEDMN C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@@H]1CCCN1C ZINC001108877820 761115226 /nfs/dbraw/zinc/11/52/26/761115226.db2.gz IXJDWADYNASCRM-AAEUAGOBSA-N 0 1 302.382 0.383 20 30 DCEDMN C#CCN[C@@H]1CN(C(=O)CC[C@H]2CCOC2)C[C@@H]1n1ccnn1 ZINC001070172292 761118967 /nfs/dbraw/zinc/11/89/67/761118967.db2.gz VPLYWMYKJSPDCL-ZNMIVQPWSA-N 0 1 317.393 0.070 20 30 DCEDMN C#CCN[C@@H]1CN(C(=O)[C@](C)(C=C)CC)C[C@@H]1n1ccnn1 ZINC001070265621 761157512 /nfs/dbraw/zinc/15/75/12/761157512.db2.gz QGEDQIDIJGGZJT-IJEWVQPXSA-N 0 1 301.394 0.855 20 30 DCEDMN C#CCN1CCC2(CN(C(=O)c3cnn(CCCOC)c3)C2)C1 ZINC001148562855 768016321 /nfs/dbraw/zinc/01/63/21/768016321.db2.gz PQEUCEAFBCYNLR-UHFFFAOYSA-N 0 1 316.405 0.701 20 30 DCEDMN C#CCN[C@@H]1CN(C(=O)C2(C)CC(F)(F)C2)C[C@@H]1n1ccnn1 ZINC001070308088 761167035 /nfs/dbraw/zinc/16/70/35/761167035.db2.gz AIONPWKVDGRVKC-NEPJUHHUSA-N 0 1 323.347 0.688 20 30 DCEDMN C#CCN[C@@H]1CN(C(=O)c2ccc(C)cc2)C[C@@H]1n1ccnn1 ZINC001070315977 761169170 /nfs/dbraw/zinc/16/91/70/761169170.db2.gz ANOZINZBUCACBU-CVEARBPZSA-N 0 1 309.373 0.875 20 30 DCEDMN C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)CN1CCCC1 ZINC001108971633 761177894 /nfs/dbraw/zinc/17/78/94/761177894.db2.gz ZWCPQFXGMOGEIN-GFCCVEGCSA-N 0 1 302.382 0.385 20 30 DCEDMN CC#CCN1C[C@@H](OC)C[C@H]1c1nc(CNC(=O)C2CC2)n[nH]1 ZINC001070358800 761186193 /nfs/dbraw/zinc/18/61/93/761186193.db2.gz ZTNCFALSRBAQKH-STQMWFEESA-N 0 1 317.393 0.616 20 30 DCEDMN CC#CCN1C[C@@H](OC)C[C@H]1c1nnc(CNC(=O)C2CC2)[nH]1 ZINC001070358800 761186196 /nfs/dbraw/zinc/18/61/96/761186196.db2.gz ZTNCFALSRBAQKH-STQMWFEESA-N 0 1 317.393 0.616 20 30 DCEDMN C#CCN1CC[C@H](c2n[nH]cc2CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001070411050 761221786 /nfs/dbraw/zinc/22/17/86/761221786.db2.gz BDFCUIHVAIRUSZ-JDFRZJQESA-N 0 1 314.389 0.485 20 30 DCEDMN C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCN1CCCC1=O ZINC001109065076 761223242 /nfs/dbraw/zinc/22/32/42/761223242.db2.gz GSVZMDOXJVAKPE-ILXRZTDVSA-N 0 1 321.421 0.533 20 30 DCEDMN C#CCCN1CC2(C1)CN(C(=O)C(F)F)C[C@H]2c1nnc(C)[nH]1 ZINC001070438854 761238738 /nfs/dbraw/zinc/23/87/38/761238738.db2.gz KXCZEOOUJVGOOC-NSHDSACASA-N 0 1 323.347 0.629 20 30 DCEDMN 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CN(C[C@H]1CCCN1C(=O)C#CC1CC1)[C@@H]1CCN(C)C1=O ZINC000960613052 688423173 /nfs/dbraw/zinc/42/31/73/688423173.db2.gz KWAQGUSFFIKZRL-HUUCEWRRSA-N 0 1 303.406 0.553 20 30 DCEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nc(C)c2cccnc21 ZINC000961303140 688590529 /nfs/dbraw/zinc/59/05/29/688590529.db2.gz BQMYQMSMXZHDQV-QLPKVWCKSA-N 0 1 323.400 0.809 20 30 DCEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCN(C)C1=O ZINC000962285461 688871811 /nfs/dbraw/zinc/87/18/11/688871811.db2.gz HRPPICOMNBPNGT-KBXIAJHMSA-N 0 1 303.406 0.315 20 30 DCEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc2nc(C)cc(C)n2n1 ZINC000962458092 688916159 /nfs/dbraw/zinc/91/61/59/688916159.db2.gz WFCXMYCJFYSYNL-WDNDVIMCSA-N 0 1 324.388 0.424 20 30 DCEDMN O=C(Cn1cncn1)N[C@@H]1[C@H]2CN(CC#Cc3ccccc3)C[C@H]21 ZINC000962485101 688922250 /nfs/dbraw/zinc/92/22/50/688922250.db2.gz ILDUGKCZNHAOKB-VQFNDLOPSA-N 0 1 321.384 0.376 20 30 DCEDMN C#Cc1ccc(C(=O)NC[C@H]2CCN2Cc2n[nH]c(C)n2)nc1 ZINC001038930636 694244840 /nfs/dbraw/zinc/24/48/40/694244840.db2.gz HTYLQQAJKHFBGG-CYBMUJFWSA-N 0 1 310.361 0.494 20 30 DCEDMN C#Cc1ccc(C(=O)NC2CC(CNCc3nnc(C)[nH]3)C2)cn1 ZINC000962564908 688945561 /nfs/dbraw/zinc/94/55/61/688945561.db2.gz PBFIQLMPGYOXGB-UHFFFAOYSA-N 0 1 324.388 0.788 20 30 DCEDMN C#CCCN1CC[C@H]1CNC(=O)c1ccc2c(c1)C(=O)NC2=O ZINC001038934119 694246007 /nfs/dbraw/zinc/24/60/07/694246007.db2.gz BBGGTYYASYDKNF-LBPRGKRZSA-N 0 1 311.341 0.398 20 30 DCEDMN N#CCN1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2c[nH]nn2)C1 ZINC000963362441 689041488 /nfs/dbraw/zinc/04/14/88/689041488.db2.gz BYAPOVSEYKJWJO-HIFRSBDPSA-N 0 1 316.409 0.964 20 30 DCEDMN N#CCN1CCC[C@H]1[C@@H]1CCCN(C(=O)CCc2cnn[nH]2)C1 ZINC000963362441 689041491 /nfs/dbraw/zinc/04/14/91/689041491.db2.gz BYAPOVSEYKJWJO-HIFRSBDPSA-N 0 1 316.409 0.964 20 30 DCEDMN C#CCCN1CC[C@@H]1CNC(=O)c1ccc(=O)n(CCC)n1 ZINC001039003087 694266864 /nfs/dbraw/zinc/26/68/64/694266864.db2.gz LRLSYMGGSWQAFL-CYBMUJFWSA-N 0 1 302.378 0.481 20 30 DCEDMN O=C(C#CC1CC1)N1CCC[C@@H](NC(=O)c2cnn[nH]2)CC1 ZINC000965012325 689338237 /nfs/dbraw/zinc/33/82/37/689338237.db2.gz LZJYBWQVKGNDPK-GFCCVEGCSA-N 0 1 301.350 0.329 20 30 DCEDMN C[C@@H](C#N)C(=O)N1CCC2(C[C@H]2NC(=O)Cc2nnc[nH]2)CC1 ZINC000965492957 689457118 /nfs/dbraw/zinc/45/71/18/689457118.db2.gz YNTVSLWRTRDWIP-WDEREUQCSA-N 0 1 316.365 0.004 20 30 DCEDMN C#Cc1ccc(C(=O)N[C@H]2CN(C(=O)c3ccn[nH]3)C[C@H]2C)cn1 ZINC000966175052 689667047 /nfs/dbraw/zinc/66/70/47/689667047.db2.gz BTUSECNUVWEGTB-ABAIWWIYSA-N 0 1 323.356 0.677 20 30 DCEDMN C=C(Br)CN[C@@H]1CCN(C(=O)Cn2cccn2)C1 ZINC000967031402 689918726 /nfs/dbraw/zinc/91/87/26/689918726.db2.gz NHGQIYDVEJMLFZ-LLVKDONJSA-N 0 1 313.199 0.982 20 30 DCEDMN C#CCCN1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C(N)=O)o2)C1 ZINC000967287986 689979062 /nfs/dbraw/zinc/97/90/62/689979062.db2.gz JTSMIAKJTPFZLC-NEPJUHHUSA-N 0 1 303.362 0.842 20 30 DCEDMN CC#CCN1CC[C@H](C)[C@H](NC(=O)Cc2cn(CC)nn2)C1 ZINC000967415983 690005833 /nfs/dbraw/zinc/00/58/33/690005833.db2.gz ZBVYOZBADNCTHS-DZGCQCFKSA-N 0 1 303.410 0.690 20 30 DCEDMN C=CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CS(=O)(=O)C1 ZINC001039380124 694351766 /nfs/dbraw/zinc/35/17/66/694351766.db2.gz PLUONUOBAMKBJZ-KGLIPLIRSA-N 0 1 312.435 0.672 20 30 DCEDMN N#Cc1ccccc1CN[C@@H]1CCN(C(=O)CCc2nnc[nH]2)C1 ZINC000968351678 690238220 /nfs/dbraw/zinc/23/82/20/690238220.db2.gz AUTPSKAUKGDMKD-OAHLLOKOSA-N 0 1 324.388 1.000 20 30 DCEDMN C=CCN1CC[C@@H](C)[C@H](NC(=O)Cn2nnnc2C(C)C)C1 ZINC000968405809 690253698 /nfs/dbraw/zinc/25/36/98/690253698.db2.gz RQDFIMJUINQSCF-CHWSQXEVSA-N 0 1 306.414 0.809 20 30 DCEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc2n[nH]nc21 ZINC001039403112 694357880 /nfs/dbraw/zinc/35/78/80/694357880.db2.gz IFSLECMPMDUNHS-NEPJUHHUSA-N 0 1 310.361 0.665 20 30 DCEDMN N#Cc1ccccc1CN[C@@H]1CCN(C(=O)CCn2ccnn2)C1 ZINC000968514206 690298802 /nfs/dbraw/zinc/29/88/02/690298802.db2.gz KWKYCDRSIOWUOP-MRXNPFEDSA-N 0 1 324.388 0.931 20 30 DCEDMN C#CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCCC(=O)N1 ZINC001039433104 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DCEDMN C#CCN1CCCCC[C@@H]1CNC(=O)c1ccc(C(N)=O)o1 ZINC000968941660 690431244 /nfs/dbraw/zinc/43/12/44/690431244.db2.gz QKPOTCAZAYXAAF-GFCCVEGCSA-N 0 1 303.362 0.986 20 30 DCEDMN CN1CCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC1 ZINC000968988922 690444700 /nfs/dbraw/zinc/44/47/00/690444700.db2.gz JGOPQSXBCUJPHZ-OWCLPIDISA-N 0 1 315.417 0.696 20 30 DCEDMN C#CCN1CCCCC[C@@H]1CNC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC000969023105 690454560 /nfs/dbraw/zinc/45/45/60/690454560.db2.gz NCZUESROKGXINV-QLFBSQMISA-N 0 1 305.422 0.705 20 30 DCEDMN C#CCN1CCCCC[C@H]1CNC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC000969023106 690454719 /nfs/dbraw/zinc/45/47/19/690454719.db2.gz NCZUESROKGXINV-SOUVJXGZSA-N 0 1 305.422 0.705 20 30 DCEDMN C#CCN1CCCCC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC000969028001 690456093 /nfs/dbraw/zinc/45/60/93/690456093.db2.gz OEYXASVXGVRNSP-MELADBBJSA-N 0 1 307.394 0.013 20 30 DCEDMN C[C@H](C#N)C(=O)N1CCCCC[C@H](NC(=O)c2cnn[nH]2)C1 ZINC000987128754 690527376 /nfs/dbraw/zinc/52/73/76/690527376.db2.gz HYFOYLXBVUGKRE-MNOVXSKESA-N 0 1 304.354 0.465 20 30 DCEDMN C=CC(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1nnc[nH]1)C2 ZINC001006497979 690550098 /nfs/dbraw/zinc/55/00/98/690550098.db2.gz YPXZTOHDXAYOIE-UTUOFQBUSA-N 0 1 317.393 0.808 20 30 DCEDMN C#Cc1ccc(C(=O)N[C@@H](C)C2CN(C(=O)c3ccn[nH]3)C2)cn1 ZINC001006530673 690551074 /nfs/dbraw/zinc/55/10/74/690551074.db2.gz ROMVCOIIQULWJP-NSHDSACASA-N 0 1 323.356 0.677 20 30 DCEDMN C=C(C)CCN1CCC[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC001007830078 690755271 /nfs/dbraw/zinc/75/52/71/690755271.db2.gz BYRCDHKAZAMMDZ-KBPBESRZSA-N 0 1 314.451 0.968 20 30 DCEDMN C=CCN1CCC[C@@H](NC(=O)[C@H]2CCc3nc(C)nn3C2)C1 ZINC001008035353 690790615 /nfs/dbraw/zinc/79/06/15/690790615.db2.gz YDSQFWGYMFCBBW-UONOGXRCSA-N 0 1 303.410 0.916 20 30 DCEDMN C#CCOc1ncccc1C(=O)N[C@H]1CCCN(CCCO)C1 ZINC001009260046 691016067 /nfs/dbraw/zinc/01/60/67/691016067.db2.gz MSNCSNMXQXWZMO-AWEZNQCLSA-N 0 1 317.389 0.670 20 30 DCEDMN C=C(C)CN1CCC[C@@H](NC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001009702798 691091418 /nfs/dbraw/zinc/09/14/18/691091418.db2.gz NCDBNKFXULCGHI-CYBMUJFWSA-N 0 1 302.378 0.951 20 30 DCEDMN C[C@H]1CC[C@@H](NC(=O)c2ncn[nH]2)CN1c1ncccc1C#N ZINC001039764682 694426473 /nfs/dbraw/zinc/42/64/73/694426473.db2.gz COQKMZNWJOMDQN-CMPLNLGQSA-N 0 1 311.349 0.859 20 30 DCEDMN C[C@H]1CC[C@@H](NC(=O)c2nc[nH]n2)CN1c1ncccc1C#N ZINC001039764682 694426475 /nfs/dbraw/zinc/42/64/75/694426475.db2.gz COQKMZNWJOMDQN-CMPLNLGQSA-N 0 1 311.349 0.859 20 30 DCEDMN C[C@H]1CC[C@@H](NC(=O)c2ncn[nH]2)CN1c1ccc(C#N)cn1 ZINC001039766343 694427036 /nfs/dbraw/zinc/42/70/36/694427036.db2.gz VTHRGRHJQNWRBC-CMPLNLGQSA-N 0 1 311.349 0.859 20 30 DCEDMN C[C@H]1CC[C@@H](NC(=O)c2nc[nH]n2)CN1c1ccc(C#N)cn1 ZINC001039766343 694427038 /nfs/dbraw/zinc/42/70/38/694427038.db2.gz VTHRGRHJQNWRBC-CMPLNLGQSA-N 0 1 311.349 0.859 20 30 DCEDMN C[C@H]1C[C@H](CNC(=O)c2[nH]ncc2F)CN1C(=O)C#CC1CC1 ZINC001010149203 691176137 /nfs/dbraw/zinc/17/61/37/691176137.db2.gz 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C=CCNC(=O)[C@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCCC1 ZINC001113767253 762538467 /nfs/dbraw/zinc/53/84/67/762538467.db2.gz PZVXRGFAACTNSS-SPWCGHHHSA-N 0 1 305.422 0.914 20 30 DCEDMN C#CCN1C[C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(CC)C3)[C@@H]2C1 ZINC001050061155 757314947 /nfs/dbraw/zinc/31/49/47/757314947.db2.gz JGTGWTJDFINOIZ-SOUVJXGZSA-N 0 1 303.406 0.411 20 30 DCEDMN C#CCN1C[C@@H]2CCCN(C(=O)Cn3cc(C4CC4)nn3)[C@@H]2C1 ZINC001050066351 757325499 /nfs/dbraw/zinc/32/54/99/757325499.db2.gz HRPGJQSSVDRCRR-GOEBONIOSA-N 0 1 313.405 0.712 20 30 DCEDMN C#CCN1C[C@@H]2CCCN(C(=O)C[C@H]3CCN(C)C3=O)[C@@H]2C1 ZINC001050071290 757331780 /nfs/dbraw/zinc/33/17/80/757331780.db2.gz PZVAKBYUPYCOPR-QLFBSQMISA-N 0 1 303.406 0.411 20 30 DCEDMN C#CCN1C[C@@H]2CCCN(C(=O)c3cn4c(n3)COCC4)[C@@H]2C1 ZINC001050077292 757337692 /nfs/dbraw/zinc/33/76/92/757337692.db2.gz QQFLGHYQSSGUNC-DZGCQCFKSA-N 0 1 314.389 0.583 20 30 DCEDMN C[C@@H]1[C@@H](NC(=O)[C@H]2CCCN2C)CCN1c1nccnc1C#N ZINC001050096170 757359879 /nfs/dbraw/zinc/35/98/79/757359879.db2.gz NNPYBLCUOBIQMC-MBNYWOFBSA-N 0 1 314.393 0.526 20 30 DCEDMN C[C@H](NC(=O)c1cnn[nH]1)[C@@H]1CCN(C(=O)CSCC#N)C1 ZINC001050109063 757376244 /nfs/dbraw/zinc/37/62/44/757376244.db2.gz DCTDKXQVGILSOL-VHSXEESVSA-N 0 1 322.394 0.028 20 30 DCEDMN C=CCCN1C[C@H]2OCCN(C(=O)c3cc(C)n(C)n3)[C@H]2C1 ZINC001083016748 757419148 /nfs/dbraw/zinc/41/91/48/757419148.db2.gz TXGYAGMJCHABIF-LSDHHAIUSA-N 0 1 304.394 0.830 20 30 DCEDMN C#CCCN1C[C@H]2OCCN(C(=O)C[C@@H]3CCCCO3)[C@H]2C1 ZINC001083046412 757450903 /nfs/dbraw/zinc/45/09/03/757450903.db2.gz YSNHWSXFHNEZHN-HRCADAONSA-N 0 1 306.406 0.881 20 30 DCEDMN C#CCCN1C[C@H]2OCCN(C(=O)[C@@H]3CCCO[C@H]3C=C)[C@H]2C1 ZINC001083085178 757485010 /nfs/dbraw/zinc/48/50/10/757485010.db2.gz CYBOCPILIWQGGT-LTIDMASMSA-N 0 1 318.417 0.903 20 30 DCEDMN C=CCCN1C[C@H]2OCCN(C(=O)c3cc4n(n3)CCC4)[C@H]2C1 ZINC001083100090 757493844 /nfs/dbraw/zinc/49/38/44/757493844.db2.gz ULTTXIVUWNMINH-JKSUJKDBSA-N 0 1 316.405 0.931 20 30 DCEDMN C=C(C)CN1C[C@H]2OCCN(C(=O)Cc3cnn(C)c3C)[C@H]2C1 ZINC001083102188 757496615 /nfs/dbraw/zinc/49/66/15/757496615.db2.gz RCLCANFTCQDHKS-JKSUJKDBSA-N 0 1 318.421 0.759 20 30 DCEDMN C=CCCN1C[C@H]2OCCN(C(=O)c3cn(C)ccc3=O)[C@H]2C1 ZINC001083138307 757516086 /nfs/dbraw/zinc/51/60/86/757516086.db2.gz QZLOFJSAPXFONE-GOEBONIOSA-N 0 1 317.389 0.487 20 30 DCEDMN COCC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccsc1 ZINC001113801437 762555323 /nfs/dbraw/zinc/55/53/23/762555323.db2.gz TYKHBYCEPJTRCS-FOLVSLTJSA-N 0 1 304.415 0.987 20 30 DCEDMN C#CCCN1C[C@H]2OCCN(C(=O)c3c(C)nn(C)c3C)[C@H]2C1 ZINC001083156956 757526724 /nfs/dbraw/zinc/52/67/24/757526724.db2.gz WTRGCXMIAZXRGA-LSDHHAIUSA-N 0 1 316.405 0.585 20 30 DCEDMN C=C(C)CN1C[C@H]2OCCN(C(=O)C[C@H]3CCC(=O)N3C)[C@H]2C1 ZINC001083161465 757531781 /nfs/dbraw/zinc/53/17/81/757531781.db2.gz DBXOXKCXFZJIPP-QLFBSQMISA-N 0 1 321.421 0.485 20 30 DCEDMN C#CCCN1C[C@@H](NC(=O)c2cccc(N(C)C)c2)[C@@H](O)C1 ZINC001083993035 757582140 /nfs/dbraw/zinc/58/21/40/757582140.db2.gz WMGACVIWBXDXNF-CVEARBPZSA-N 0 1 301.390 0.551 20 30 DCEDMN C[C@@H]1[C@@H](NC(=O)CN2CCCC2)CCN1c1nccnc1C#N ZINC001050316127 757594604 /nfs/dbraw/zinc/59/46/04/757594604.db2.gz YTSVFFKVWJQJBO-OLZOCXBDSA-N 0 1 314.393 0.527 20 30 DCEDMN N#Cc1ccc(NC2CCN(C(=O)Cc3ncn[nH]3)CC2)nn1 ZINC001057368888 757654310 /nfs/dbraw/zinc/65/43/10/757654310.db2.gz AKXTZLNMFWCAOV-UHFFFAOYSA-N 0 1 312.337 0.112 20 30 DCEDMN CCn1nncc1CN1CCC2(CN(C(=O)[C@H](C)C#N)C2)CC1 ZINC001050463054 757729891 /nfs/dbraw/zinc/72/98/91/757729891.db2.gz HTDUVQYRKNUDPE-CYBMUJFWSA-N 0 1 316.409 0.882 20 30 DCEDMN CC#CCN1CC[C@H](NC(=O)Cc2c(C)nn(C)c2C)[C@H](O)C1 ZINC001090463001 762571319 /nfs/dbraw/zinc/57/13/19/762571319.db2.gz LAYGCEYMMSOWHB-JKSUJKDBSA-N 0 1 318.421 0.154 20 30 DCEDMN C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C)o1 ZINC001113812031 762572666 /nfs/dbraw/zinc/57/26/66/762572666.db2.gz JAAFTVQGQQWUNK-CXTNEJHOSA-N 0 1 317.389 0.939 20 30 DCEDMN C[C@H](C(N)=O)N1CCC2(CN(C(=O)c3c[nH]c(C#N)c3)C2)CC1 ZINC001050494042 757760814 /nfs/dbraw/zinc/76/08/14/757760814.db2.gz IQRLXXGRXOPLIV-LLVKDONJSA-N 0 1 315.377 0.298 20 30 DCEDMN CN(C)C(=O)CN1CCC2(CN(C(=O)C#CC3CC3)C2)CC1 ZINC001050515584 757783473 /nfs/dbraw/zinc/78/34/73/757783473.db2.gz DQUSNYKRUPKJMX-UHFFFAOYSA-N 0 1 303.406 0.412 20 30 DCEDMN C#CCCCC(=O)N(CCO)CCNC(=O)CCc1cnc[nH]1 ZINC001057445345 757804829 /nfs/dbraw/zinc/80/48/29/757804829.db2.gz QWUMAMLKJCQVHD-UHFFFAOYSA-N 0 1 320.393 0.083 20 30 DCEDMN C=CCN1CC[C@@H]2CN(C(=O)c3cnc4n3CCOC4)[C@@H]2C1 ZINC001084423423 757822833 /nfs/dbraw/zinc/82/28/33/757822833.db2.gz KTUNUTLHGXMVRX-TZMCWYRMSA-N 0 1 302.378 0.746 20 30 DCEDMN C#CCCN1CC[C@@H]2CN(C(=O)c3cnc4c(c3)nnn4C)[C@@H]2C1 ZINC001084527404 757893152 /nfs/dbraw/zinc/89/31/52/757893152.db2.gz GCBPBQUQGGPFHK-IUODEOHRSA-N 0 1 324.388 0.533 20 30 DCEDMN C=CCN1CC[C@@H]2CN(C(=O)c3c(C)c(C)nn(C)c3=O)[C@@H]2C1 ZINC001084565440 757909063 /nfs/dbraw/zinc/90/90/63/757909063.db2.gz DTODKUOKLKRNIS-ZIAGYGMSSA-N 0 1 316.405 0.729 20 30 DCEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)[C@]2(C)CCC(=O)N2)C1 ZINC001108193722 757942510 /nfs/dbraw/zinc/94/25/10/757942510.db2.gz MKPCNDSLSZOPBQ-SJORKVTESA-N 0 1 323.437 0.828 20 30 DCEDMN CC(C)C#CC(=O)N(CCO)CCNC(=O)CN(C)C1CCC1 ZINC001057525274 757965549 /nfs/dbraw/zinc/96/55/49/757965549.db2.gz NMYOCKYLOMSILT-UHFFFAOYSA-N 0 1 323.437 0.067 20 30 DCEDMN C=CCn1cc(C(=O)N2C[C@H]3CCN(CCOC)C[C@H]32)nn1 ZINC001084708613 757978679 /nfs/dbraw/zinc/97/86/79/757978679.db2.gz MSEILJUQKUHETK-TZMCWYRMSA-N 0 1 305.382 0.257 20 30 DCEDMN C=CCN1CC[C@@H]2CN(C(=O)Cn3c(C)cc(C)nc3=O)[C@@H]2C1 ZINC001084743589 758007961 /nfs/dbraw/zinc/00/79/61/758007961.db2.gz UIMWIVXLVHYVJO-HUUCEWRRSA-N 0 1 316.405 0.579 20 30 DCEDMN C[C@@H](CNC(=O)CCc1c[nH]nn1)Nc1cncc(C#N)n1 ZINC001098294174 758015974 /nfs/dbraw/zinc/01/59/74/758015974.db2.gz LCQPFLLCZACARE-VIFPVBQESA-N 0 1 300.326 0.016 20 30 DCEDMN C[C@@H](CNC(=O)CCc1cnn[nH]1)Nc1cncc(C#N)n1 ZINC001098294174 758015984 /nfs/dbraw/zinc/01/59/84/758015984.db2.gz LCQPFLLCZACARE-VIFPVBQESA-N 0 1 300.326 0.016 20 30 DCEDMN C#CCCN1CC[C@@H]2CN(C(=O)c3ccc(OC)nn3)[C@@H]2C1 ZINC001084757287 758016870 /nfs/dbraw/zinc/01/68/70/758016870.db2.gz NGZOVUUJNYYUDO-TZMCWYRMSA-N 0 1 300.362 0.655 20 30 DCEDMN C#CCCN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]3CC)[C@@H]2C1 ZINC001084762582 758021782 /nfs/dbraw/zinc/02/17/82/758021782.db2.gz FDTWQZOXPUQVHA-BZUAXINKSA-N 0 1 317.433 0.943 20 30 DCEDMN C#CCN1CC[C@@H]2CCN(C(=O)[C@H]3CCCN3C(C)=O)C[C@@H]21 ZINC001085103313 758210478 /nfs/dbraw/zinc/21/04/78/758210478.db2.gz JQBISXWCCPUANR-OAGGEKHMSA-N 0 1 303.406 0.553 20 30 DCEDMN C#CCN1CC[C@@H]2CCN(C(=O)[C@H](C)N3CCOCC3)C[C@@H]21 ZINC001085108129 758210935 /nfs/dbraw/zinc/21/09/35/758210935.db2.gz KQQQADKNPCVEKO-XHSDSOJGSA-N 0 1 305.422 0.263 20 30 DCEDMN Cn1cc(CN2CCC3(CN(C(=O)c4c[nH]c(C#N)c4)C3)C2)cn1 ZINC001072639843 762622466 /nfs/dbraw/zinc/62/24/66/762622466.db2.gz RXZLCWFCETWHNS-UHFFFAOYSA-N 0 1 324.388 0.968 20 30 DCEDMN CCOC(=O)[C@@H](C#N)Nc1nc(NC(C)=O)nc2nc[nH]c21 ZINC001170366797 762618937 /nfs/dbraw/zinc/61/89/37/762618937.db2.gz UMZFNMRNZODYQF-SSDOTTSWSA-N 0 1 303.282 0.178 20 30 DCEDMN Cc1c(C(=O)NC[C@@H]2COCCN2CC#N)ccc2cncn21 ZINC001050997726 758349667 /nfs/dbraw/zinc/34/96/67/758349667.db2.gz ZKWGKKBLPLBLFV-CQSZACIVSA-N 0 1 313.361 0.597 20 30 DCEDMN C=C(C)CN1CCOC[C@@H]1CNC(=O)c1[nH]nc2c1CCC2 ZINC001050999077 758353655 /nfs/dbraw/zinc/35/36/55/758353655.db2.gz YFRLXTDLLRUEMD-LBPRGKRZSA-N 0 1 304.394 0.905 20 30 DCEDMN C=CCN1CCOC[C@H]1CNC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC001051087929 758428118 /nfs/dbraw/zinc/42/81/18/758428118.db2.gz XMYBKSJXROLZLC-VXGBXAGGSA-N 0 1 305.382 0.228 20 30 DCEDMN C=CCCCC(=O)N1CCO[C@@H](CNC(=O)c2cnn[nH]2)C1 ZINC001065545518 758462985 /nfs/dbraw/zinc/46/29/85/758462985.db2.gz NCNRMCAWDWTBCA-NSHDSACASA-N 0 1 307.354 0.118 20 30 DCEDMN C=CCCCC(=O)N1CCO[C@H](CNC(=O)c2[nH]ncc2F)C1 ZINC001065548050 758464561 /nfs/dbraw/zinc/46/45/61/758464561.db2.gz HQCWFYBYVLUVAX-LLVKDONJSA-N 0 1 324.356 0.862 20 30 DCEDMN N#Cc1ccccc1C[C@H](N)C(=O)N1C[C@@H](F)C[C@H](CO)C1 ZINC001157730239 762634738 /nfs/dbraw/zinc/63/47/38/762634738.db2.gz KUSGRCNWXMLABQ-CQDKDKBSSA-N 0 1 305.353 0.607 20 30 DCEDMN C=CCCCC(=O)NC[C@@H]1CN(C(=O)Cc2ncn[nH]2)CCO1 ZINC001065643031 758515629 /nfs/dbraw/zinc/51/56/29/758515629.db2.gz ZLOOBPKGMWBTFX-GFCCVEGCSA-N 0 1 321.381 0.047 20 30 DCEDMN CC#CCCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)c2ncn[nH]2)C1 ZINC001051357346 758590822 /nfs/dbraw/zinc/59/08/22/758590822.db2.gz HIMZAFYPTAHOLU-CHWSQXEVSA-N 0 1 317.393 0.965 20 30 DCEDMN CC#CCCCC(=O)N1CC[C@@H]([C@@H](C)NC(=O)c2nc[nH]n2)C1 ZINC001051357346 758590824 /nfs/dbraw/zinc/59/08/24/758590824.db2.gz HIMZAFYPTAHOLU-CHWSQXEVSA-N 0 1 317.393 0.965 20 30 DCEDMN C=CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CN(C(C)=O)CCO1)C2 ZINC001098309729 762643284 /nfs/dbraw/zinc/64/32/84/762643284.db2.gz FNVNRAGOEUZMHE-KBXIAJHMSA-N 0 1 307.394 0.141 20 30 DCEDMN Cc1cc(C(=O)N2C[C@H]3CN(c4cncc(C#N)n4)C[C@H]3C2)n[nH]1 ZINC001065973230 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C#CCN(C)C1CCN(C(=O)C2CCS(=O)(=O)CC2)CC1 ZINC000985683877 662500069 /nfs/dbraw/zinc/50/00/69/662500069.db2.gz VCNRHPLIIIKMQH-UHFFFAOYSA-N 0 1 312.435 0.367 20 30 DCEDMN C#Cc1ccccc1CC(=O)N1CCC(N(C)CC(N)=O)CC1 ZINC000985768775 662510347 /nfs/dbraw/zinc/51/03/47/662510347.db2.gz AHMISTWDDZXYNL-UHFFFAOYSA-N 0 1 313.401 0.619 20 30 DCEDMN C[C@H]1[C@@H](NCc2ccc(C#N)cc2F)CCN1C(=O)CC(N)=O ZINC000986108928 662556239 /nfs/dbraw/zinc/55/62/39/662556239.db2.gz FTSLWPYCZAUWRU-HZMBPMFUSA-N 0 1 318.352 0.652 20 30 DCEDMN C#CCN1CC[C@@H](NC(=O)C[C@@H]2CCC(=O)N2C)C(C)(C)C1 ZINC000940939537 665889109 /nfs/dbraw/zinc/88/91/09/665889109.db2.gz RQECCYJYEBLQNB-UONOGXRCSA-N 0 1 305.422 0.847 20 30 DCEDMN C[C@@H]1C[C@@H](NCc2cnnn2C)CN1C(=O)c1ccc(C#N)[nH]1 ZINC000988653214 662811902 /nfs/dbraw/zinc/81/19/02/662811902.db2.gz JCOUFYOQAFCEPG-ZYHUDNBSSA-N 0 1 313.365 0.408 20 30 DCEDMN CC1(C)CN(CC#N)CC[C@H]1NC(=O)[C@H]1CCCc2n[nH]nc21 ZINC000940985858 665903273 /nfs/dbraw/zinc/90/32/73/665903273.db2.gz 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C=CCN1CC[C@H](NC(=O)c2c(OC)cc[nH]c2=O)[C@H](O)C1 ZINC001090729980 766527188 /nfs/dbraw/zinc/52/71/88/766527188.db2.gz CZBOCSOQGJFMBU-WDEREUQCSA-N 0 1 307.350 0.147 20 30 DCEDMN C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cccn(C)c2=O)[C@H](O)C1 ZINC001090738262 766534869 /nfs/dbraw/zinc/53/48/69/766534869.db2.gz XZCPULKKSMIGTE-ZIAGYGMSSA-N 0 1 305.378 0.126 20 30 DCEDMN C=CCN1CC[C@@H](NC(=O)c2cc3c(cn2)OCCC3)[C@H](O)C1 ZINC001090768162 766567365 /nfs/dbraw/zinc/56/73/65/766567365.db2.gz RSJROPJPPDFZAY-UKRRQHHQSA-N 0 1 317.389 0.758 20 30 DCEDMN C=CCN1CC[C@H](NC(=O)c2ccc(NC(N)=O)cc2)[C@@H](O)C1 ZINC001090783814 766589172 /nfs/dbraw/zinc/58/91/72/766589172.db2.gz OKQKEFBZBUEKNG-KBPBESRZSA-N 0 1 318.377 0.528 20 30 DCEDMN C=CCN1CC[C@H](NC(=O)Cc2c(C)nc(C)[nH]c2=O)[C@@H](O)C1 ZINC001090803971 766610310 /nfs/dbraw/zinc/61/03/10/766610310.db2.gz DNCNPXAABNCSFT-KBPBESRZSA-N 0 1 320.393 0.079 20 30 DCEDMN C=CCN1CC[C@H](NC(=O)c2cc(C(N)=O)cs2)[C@@H](O)C1 ZINC001090834301 766638524 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CN1CCN(Cc2cn3c(n2)CN(C(=O)CCS)CC3)CC1 ZINC001143978878 766761793 /nfs/dbraw/zinc/76/17/93/766761793.db2.gz IPCDCCUJACCXMH-UHFFFAOYSA-N 0 1 323.466 0.293 20 30 DCEDMN C#C[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC001119781028 766809057 /nfs/dbraw/zinc/80/90/57/766809057.db2.gz QWOBVYMNUBIYJP-MELADBBJSA-N 0 1 303.406 0.742 20 30 DCEDMN Cn1cc(C(=O)NCC2CC(NCc3ccccc3C#N)C2)nn1 ZINC001091009329 766833677 /nfs/dbraw/zinc/83/36/77/766833677.db2.gz HOICAGQMGFDRJV-UHFFFAOYSA-N 0 1 324.388 0.985 20 30 DCEDMN CCON(CC)C(=O)CNC[C@@H](O)COc1ccc(C#N)cc1 ZINC001120611753 767093843 /nfs/dbraw/zinc/09/38/43/767093843.db2.gz VJRJQPMBMJVYDJ-CQSZACIVSA-N 0 1 321.377 0.688 20 30 DCEDMN N#Cc1cnccc1N[C@H]1C[C@@H](CNC(=O)CN2CCCC2)C1 ZINC001091348104 767181091 /nfs/dbraw/zinc/18/10/91/767181091.db2.gz YKQASJANAJSGKG-OTVXOJSOSA-N 0 1 313.405 0.778 20 30 DCEDMN C[C@@H](C#N)C(=O)NC1CC2(CC(NCc3cn(C)nn3)C2)C1 ZINC001120853655 767261199 /nfs/dbraw/zinc/26/11/99/767261199.db2.gz HDMXHLNLGKBJTI-ZWESNROVSA-N 0 1 302.382 0.492 20 30 DCEDMN N#Cc1ccc(N[C@H]2C[C@H](CNC(=O)Cc3nnc[nH]3)C2)nc1 ZINC001091479524 767351902 /nfs/dbraw/zinc/35/19/02/767351902.db2.gz PCXQOULFYPSERT-HAQNSBGRSA-N 0 1 311.349 0.621 20 30 DCEDMN C#CCOc1ccccc1NC(=O)C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC001121055097 767378768 /nfs/dbraw/zinc/37/87/68/767378768.db2.gz FSJWTNCDAHWWRW-OLZOCXBDSA-N 0 1 315.373 0.846 20 30 DCEDMN C[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@]2(C)C1 ZINC001091574652 767480977 /nfs/dbraw/zinc/48/09/77/767480977.db2.gz MRAUDEKPGUKRLK-SIVJFFJCSA-N 0 1 315.377 0.154 20 30 DCEDMN Cc1n[nH]c(C(=O)NC[C@H](CO)Nc2ccc(C#N)cn2)c1C ZINC001121252087 767482458 /nfs/dbraw/zinc/48/24/58/767482458.db2.gz XEDXMCVSCDKNCO-GFCCVEGCSA-N 0 1 314.349 0.496 20 30 DCEDMN COCC#CCN1CCC2(CN(C(=O)C3=COCCO3)C2)C1 ZINC001146929126 767569513 /nfs/dbraw/zinc/56/95/13/767569513.db2.gz PMKUHMDMOUKBLI-UHFFFAOYSA-N 0 1 306.362 0.059 20 30 DCEDMN C#CCNC(=O)[C@@H](C)N1CCC2(CN(C(=O)c3ccc[nH]3)C2)C1 ZINC001146992640 767594270 /nfs/dbraw/zinc/59/42/70/767594270.db2.gz WZWUWGGTQYFOGW-CYBMUJFWSA-N 0 1 314.389 0.301 20 30 DCEDMN C=CCn1c(-c2[nH]cnc2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001121613418 767604833 /nfs/dbraw/zinc/60/48/33/767604833.db2.gz YOPYZMJOKWOZPO-JTQLQIEISA-N 0 1 315.381 0.830 20 30 DCEDMN C=CCn1c(C2=NO[C@H](CO)C2)nnc1N1CCC(CO)CC1 ZINC001121657731 767615490 /nfs/dbraw/zinc/61/54/90/767615490.db2.gz KUECLJSENKSDBH-LBPRGKRZSA-N 0 1 321.381 0.158 20 30 DCEDMN Cc1nc(CN2CCC3(CN(C(=O)CSCC#N)C3)C2)n[nH]1 ZINC001147031369 767626924 /nfs/dbraw/zinc/62/69/24/767626924.db2.gz PYSVMZNTFNWYAZ-UHFFFAOYSA-N 0 1 320.422 0.404 20 30 DCEDMN COCC#CCN1CCC2(CN(C(=O)c3cnns3)C2)C1 ZINC001147056849 767634166 /nfs/dbraw/zinc/63/41/66/767634166.db2.gz PKLGQPBZBAIPQJ-UHFFFAOYSA-N 0 1 306.391 0.336 20 30 DCEDMN C#CCNCC(=O)N1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC001121978438 767687644 /nfs/dbraw/zinc/68/76/44/767687644.db2.gz HEULCGGJGVEXJG-HNNXBMFYSA-N 0 1 317.433 0.850 20 30 DCEDMN C=CCOCC(=O)N1CC2(C1)CCN([C@@H]1CCCN(C)C1=O)C2 ZINC001147260669 767698740 /nfs/dbraw/zinc/69/87/40/767698740.db2.gz CYDOTZNGLVALEM-CQSZACIVSA-N 0 1 321.421 0.344 20 30 DCEDMN C#CCNC(=O)[C@H](C)N1CCC2(CN(C(=O)CCC3CC3)C2)C1 ZINC001147282041 767705350 /nfs/dbraw/zinc/70/53/50/767705350.db2.gz VJEZVNYVTHEKTH-AWEZNQCLSA-N 0 1 317.433 0.849 20 30 DCEDMN C#CCNC(=O)[C@H](C)N1CCC2(CN(C(=O)/C(C)=C\C)C2)C1 ZINC001147325330 767709534 /nfs/dbraw/zinc/70/95/34/767709534.db2.gz WKNZUPSGEWLPGW-XMRSSTEGSA-N 0 1 303.406 0.625 20 30 DCEDMN C=CCc1cc(C(=O)N2CCNC[C@H]2CO)cc(OC)c1OC ZINC001122125005 767721194 /nfs/dbraw/zinc/72/11/94/767721194.db2.gz VEDYECCAJPGLDB-AWEZNQCLSA-N 0 1 320.389 0.839 20 30 DCEDMN C#CCCCC(=O)N1CC2(C1)CC[N@@H+](CCNC(=O)C1CC1)C2 ZINC001147427912 767736663 /nfs/dbraw/zinc/73/66/63/767736663.db2.gz CHYWJSCZABIGOK-UHFFFAOYSA-N 0 1 317.433 0.850 20 30 DCEDMN C#CCCCC(=O)N1CC2(C1)CCN(CCNC(=O)C1CC1)C2 ZINC001147427912 767736667 /nfs/dbraw/zinc/73/66/67/767736667.db2.gz CHYWJSCZABIGOK-UHFFFAOYSA-N 0 1 317.433 0.850 20 30 DCEDMN C#CCNCC(=O)NC[C@H]1CN(Cc2cccc(C)c2)CCO1 ZINC001122193935 767738430 /nfs/dbraw/zinc/73/84/30/767738430.db2.gz JIOOZFCXRAVLOK-KRWDZBQOSA-N 0 1 315.417 0.535 20 30 DCEDMN CCN(CC)C(=O)CN1CCC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001147514442 767764859 /nfs/dbraw/zinc/76/48/59/767764859.db2.gz NBTQZPJKPRDFNB-UHFFFAOYSA-N 0 1 317.433 0.803 20 30 DCEDMN C[C@@]12CN(CC(=O)N3CCC3)C[C@@H]1CN(C(=O)C#CC1CC1)C2 ZINC001091660147 767842321 /nfs/dbraw/zinc/84/23/21/767842321.db2.gz CHZDROWPKDXMGZ-QAPCUYQASA-N 0 1 315.417 0.412 20 30 DCEDMN COCC#CCN1CCC2(CN(C(=O)[C@H]3CO[C@H](C)C3)C2)C1 ZINC001147809435 767842446 /nfs/dbraw/zinc/84/24/46/767842446.db2.gz GFYGDXVFINHQOZ-HUUCEWRRSA-N 0 1 306.406 0.596 20 30 DCEDMN Cn1c(C#N)ccc1C(=O)Nc1ccc(O)c(S(N)(=O)=O)c1 ZINC001137940999 768394829 /nfs/dbraw/zinc/39/48/29/768394829.db2.gz VNGPFLVDDOLADX-UHFFFAOYSA-N 0 1 320.330 0.502 20 30 DCEDMN CC#CCN1C[C@@H](CNC(=O)c2cc(=O)c(OC)c[nH]2)[C@H](C)C1 ZINC001092829923 768406055 /nfs/dbraw/zinc/40/60/55/768406055.db2.gz NRPBZTJHKVBWCC-CHWSQXEVSA-N 0 1 317.389 0.705 20 30 DCEDMN N#Cc1nccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCc2cnc[nH]2)n1 ZINC001093364305 768558155 /nfs/dbraw/zinc/55/81/55/768558155.db2.gz QKEDQTQTGDKELZ-ATCWAGBWSA-N 0 1 323.360 0.255 20 30 DCEDMN CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1nc[nH]n1 ZINC001141334886 768575129 /nfs/dbraw/zinc/57/51/29/768575129.db2.gz FFZOXZLPLYPOOO-LLVKDONJSA-N 0 1 321.381 0.770 20 30 DCEDMN C[C@@H](NC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C)c1nnnn1C ZINC001093763932 768718142 /nfs/dbraw/zinc/71/81/42/768718142.db2.gz FXQSMVITCJTAIK-YRGRVCCFSA-N 0 1 316.409 0.369 20 30 DCEDMN N#Cc1sc(NCCNC(=O)Cc2nnc[nH]2)nc1Cl ZINC001093852513 768749154 /nfs/dbraw/zinc/74/91/54/768749154.db2.gz MVQXNYYIWBDYNR-UHFFFAOYSA-N 0 1 311.758 0.557 20 30 DCEDMN CCN(CC)C[C@@H](F)C(=O)NCCNc1nccnc1C#N ZINC001093909449 768765095 /nfs/dbraw/zinc/76/50/95/768765095.db2.gz VFYMKIRZVDNCBU-LLVKDONJSA-N 0 1 308.361 0.556 20 30 DCEDMN C=C(Cl)CNCCNC(=O)c1nc2nc(C)cc(C)n2n1 ZINC001149851818 768884189 /nfs/dbraw/zinc/88/41/89/768884189.db2.gz MQNKCUCORQHHSI-UHFFFAOYSA-N 0 1 308.773 0.813 20 30 DCEDMN C=CCOCCN1CC[C@H]1CN(C)C(=O)CNC(=O)C1CC1 ZINC001230877137 768896623 /nfs/dbraw/zinc/89/66/23/768896623.db2.gz USMUZSSCINGTCT-AWEZNQCLSA-N 0 1 309.410 0.248 20 30 DCEDMN N#Cc1ccc([N+](=O)[O-])c(NCCNC(=O)c2cnn[nH]2)c1 ZINC001094243592 768917332 /nfs/dbraw/zinc/91/73/32/768917332.db2.gz VAXJJLZSJIEYEE-UHFFFAOYSA-N 0 1 301.266 0.426 20 30 DCEDMN C=C(C)CCN1CC(n2cc(CNC(=O)[C@H]3CCCO3)nn2)C1 ZINC001094273208 768935991 /nfs/dbraw/zinc/93/59/91/768935991.db2.gz LXDVFRZTRKJFFZ-OAHLLOKOSA-N 0 1 319.409 0.896 20 30 DCEDMN CC#CCN1CCCO[C@H](CNC(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001150426669 769095363 /nfs/dbraw/zinc/09/53/63/769095363.db2.gz ZLFQUBNOPQMXNC-GOEBONIOSA-N 0 1 318.421 0.819 20 30 DCEDMN C=CCOCCN1CCCO[C@H](CNC(=O)c2cccnn2)C1 ZINC001150469787 769105002 /nfs/dbraw/zinc/10/50/02/769105002.db2.gz IWPMFVOGHRBJEH-CQSZACIVSA-N 0 1 320.393 0.500 20 30 DCEDMN C#CCN1CCC(CCOC)(NC(=O)c2ccnn2C)CC1 ZINC001151007068 769236316 /nfs/dbraw/zinc/23/63/16/769236316.db2.gz HOIYUTHPECZITP-UHFFFAOYSA-N 0 1 304.394 0.654 20 30 DCEDMN C#CCN1CCC(CCOC)(NC(=O)c2nnn(C)c2C)CC1 ZINC001151042886 769243845 /nfs/dbraw/zinc/24/38/45/769243845.db2.gz TTZXCYKSNNSLLI-UHFFFAOYSA-N 0 1 319.409 0.358 20 30 DCEDMN C#CCN1CCC(CCOC)(NC(=O)C[C@H]2CCNC2=O)CC1 ZINC001151156013 769277055 /nfs/dbraw/zinc/27/70/55/769277055.db2.gz ZKNXVMWJQZPPIK-CQSZACIVSA-N 0 1 321.421 0.133 20 30 DCEDMN C#CCN1CCC(CCOC)(NC(=O)c2csnn2)CC1 ZINC001151232689 769295336 /nfs/dbraw/zinc/29/53/36/769295336.db2.gz UBGGIZBSLWAJDW-UHFFFAOYSA-N 0 1 308.407 0.772 20 30 DCEDMN C#Cc1ccc(C(=O)NCCCN[C@@H](C)c2nnnn2C)cn1 ZINC001171594335 769325977 /nfs/dbraw/zinc/32/59/77/769325977.db2.gz ANPZUFNEZXUBPT-NSHDSACASA-N 0 1 313.365 0.057 20 30 DCEDMN C#CCN1CCC(CCOC)(NC(=O)CCCCC(N)=O)CC1 ZINC001151392305 769329618 /nfs/dbraw/zinc/32/96/18/769329618.db2.gz GQLMCZOITCDBMM-UHFFFAOYSA-N 0 1 323.437 0.653 20 30 DCEDMN C#CCN1CCC(CCOC)(NC(=O)CCCC(N)=O)CC1 ZINC001151434910 769339993 /nfs/dbraw/zinc/33/99/93/769339993.db2.gz KMDMQHMSDFTMBU-UHFFFAOYSA-N 0 1 309.410 0.263 20 30 DCEDMN C=C(Cl)CNCCNC(=O)COc1ccc(C(N)=O)cc1 ZINC001151512055 769355541 /nfs/dbraw/zinc/35/55/41/769355541.db2.gz CLVGDGIIFTYCCG-UHFFFAOYSA-N 0 1 311.769 0.623 20 30 DCEDMN N#Cc1nccc(NCCCNC(=O)c2cncc3nc[nH]c32)n1 ZINC001094849074 769393331 /nfs/dbraw/zinc/39/33/31/769393331.db2.gz BJGFQHRJNNZWGR-UHFFFAOYSA-N 0 1 322.332 0.273 20 30 DCEDMN C=CCOCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001233610193 769407620 /nfs/dbraw/zinc/40/76/20/769407620.db2.gz FLOUWMMWFWCSQS-UONOGXRCSA-N 0 1 309.410 0.248 20 30 DCEDMN N#Cc1ccccc1CNCCNC(=O)c1cccnc1C(N)=O ZINC001151966740 769449627 /nfs/dbraw/zinc/44/96/27/769449627.db2.gz DVQPZARHXJPURF-UHFFFAOYSA-N 0 1 323.356 0.572 20 30 DCEDMN C=CCNC(=O)[C@@H](C)N(C)CCCNC(=O)COCC1CC1 ZINC001234362193 769634997 /nfs/dbraw/zinc/63/49/97/769634997.db2.gz ZFKMDNCYFGVXGZ-CYBMUJFWSA-N 0 1 311.426 0.542 20 30 DCEDMN CCN(CC#CCOC)[C@H](C)CNC(=O)c1nccn1CC ZINC001153036449 769700026 /nfs/dbraw/zinc/70/00/26/769700026.db2.gz PGXFSZYZIHTMEJ-CQSZACIVSA-N 0 1 306.410 0.993 20 30 DCEDMN C=CCCO[C@@H](C)C(=O)NCCCN(C)CC(=O)NCCC ZINC001235230086 769787504 /nfs/dbraw/zinc/78/75/04/769787504.db2.gz RWSHUSHUWOLTEM-AWEZNQCLSA-N 0 1 313.442 0.932 20 30 DCEDMN Cc1nc(C)n(CCN2C[C@@H](C)[C@H](NC(=O)[C@@H](C)C#N)C2)n1 ZINC001206648307 769875733 /nfs/dbraw/zinc/87/57/33/769875733.db2.gz WYGQNYLHAQMOHO-MISXGVKJSA-N 0 1 304.398 0.491 20 30 DCEDMN C=CCOCC(=O)NCCCN(C)CC(=O)N[C@H](C)C1CC1 ZINC001235683674 769931354 /nfs/dbraw/zinc/93/13/54/769931354.db2.gz NLVKUCLKJDPQKU-CYBMUJFWSA-N 0 1 311.426 0.542 20 30 DCEDMN C=CCN1CC[C@@H](N(C)CCCNC(=O)c2cocn2)C1=O ZINC001235745304 769941571 /nfs/dbraw/zinc/94/15/71/769941571.db2.gz NPYFVKXAFZAJSO-CYBMUJFWSA-N 0 1 306.366 0.513 20 30 DCEDMN COc1ccc2c(c1)[nH]c(C(=O)n1nc(N)c(C#N)c1N)cc2=O ZINC001154113239 770076152 /nfs/dbraw/zinc/07/61/52/770076152.db2.gz MYOSYQDXUFZFPM-UHFFFAOYSA-N 0 1 324.300 0.458 20 30 DCEDMN C#CCCN(CC)[C@H](C)CNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001154220987 770115785 /nfs/dbraw/zinc/11/57/85/770115785.db2.gz ZCYKKVNNZCKGTF-CHWSQXEVSA-N 0 1 300.424 0.271 20 30 DCEDMN C#CCNC(=O)CC(=O)N1CC[C@@H]2OCCN(CC(C)C)[C@H]2C1 ZINC001176989157 770266200 /nfs/dbraw/zinc/26/62/00/770266200.db2.gz NFGZUWSMHIQTBR-GJZGRUSLSA-N 0 1 321.421 0.084 20 30 DCEDMN C=CCCCN1CCO[C@H]2CCN(C(=O)CC(=O)NC)C[C@H]21 ZINC001176994618 770284244 /nfs/dbraw/zinc/28/42/44/770284244.db2.gz PEWZEWOLSJGXCK-KGLIPLIRSA-N 0 1 309.410 0.390 20 30 DCEDMN C=C(C)CCN1CCO[C@@H]2CCN(C(=O)CC(=O)NCC)C[C@@H]21 ZINC001176995239 770285818 /nfs/dbraw/zinc/28/58/18/770285818.db2.gz TZCNEBBNUBSIBP-LSDHHAIUSA-N 0 1 323.437 0.781 20 30 DCEDMN CC(C)(C)n1ncnc1CNCCCNC(=O)CSCC#N ZINC001154802365 770302032 /nfs/dbraw/zinc/30/20/32/770302032.db2.gz DNQOWONZEVNNBC-UHFFFAOYSA-N 0 1 324.454 0.886 20 30 DCEDMN C=CCCCN1CCO[C@@H]2CCN(C(=O)CC(=O)N(C)C)C[C@@H]21 ZINC001177106739 770339270 /nfs/dbraw/zinc/33/92/70/770339270.db2.gz GWTJIZUPBCTGHM-LSDHHAIUSA-N 0 1 323.437 0.733 20 30 DCEDMN CCOC(=O)CON=C(C(=O)NCC(F)F)c1ccn[nH]1 ZINC001177254513 770389697 /nfs/dbraw/zinc/38/96/97/770389697.db2.gz QRFFRSFOZPIRFV-YVLHZVERSA-N 0 1 304.253 0.075 20 30 DCEDMN C=CCO[C@H](C)C(=O)NCCCNCc1ncnn1CCC ZINC001177269241 770399265 /nfs/dbraw/zinc/39/92/65/770399265.db2.gz IJSCHLBBQLEOCI-CYBMUJFWSA-N 0 1 309.414 0.875 20 30 DCEDMN Cc1nc(CC(=O)Nc2c(C#N)cnc3c(C#N)cnn32)n[nH]1 ZINC001177434697 770461160 /nfs/dbraw/zinc/46/11/60/770461160.db2.gz VVEQHNHDNKKDSR-UHFFFAOYSA-N 0 1 307.277 0.080 20 30 DCEDMN Cn1ncnc1CNCCCCCCNC(=O)CSCC#N ZINC001177901841 770573004 /nfs/dbraw/zinc/57/30/04/770573004.db2.gz NMMZFGHKZMYAKF-UHFFFAOYSA-N 0 1 324.454 0.838 20 30 DCEDMN C=CCCO[C@@H](C)C(=O)N1CC[C@H](NCc2cnnn2C)[C@@H]1C ZINC001178278688 770692313 /nfs/dbraw/zinc/69/23/13/770692313.db2.gz MGDISAWBQWZMAP-YDHLFZDLSA-N 0 1 321.425 0.875 20 30 DCEDMN N#Cc1ccc(NC(=O)CC[NH+]2CCC(C(N)=O)CC2)c([O-])c1 ZINC001180613673 771141722 /nfs/dbraw/zinc/14/17/22/771141722.db2.gz LHJLDHAOYAUZFM-UHFFFAOYSA-N 0 1 316.361 0.790 20 30 DCEDMN Cc1nnc(CNC[C@]2(C)CN(C(=O)[C@@H](C)C#N)C[C@H]2C)[nH]1 ZINC001180914951 771201399 /nfs/dbraw/zinc/20/13/99/771201399.db2.gz ZHRNYCIYAFQBCC-FIXISWKDSA-N 0 1 304.398 0.847 20 30 DCEDMN COCCC1(NC(=O)[C@@H]2CCCN2C)CCN(CC#N)CC1 ZINC001151021574 771258491 /nfs/dbraw/zinc/25/84/91/771258491.db2.gz XKTCHEDZXLCWEC-AWEZNQCLSA-N 0 1 308.426 0.591 20 30 DCEDMN C#CCN1CCC(CCOC)(NC(=O)c2cncnc2)CC1 ZINC001151074796 771380971 /nfs/dbraw/zinc/38/09/71/771380971.db2.gz GGNYYQBBDWEUJW-UHFFFAOYSA-N 0 1 302.378 0.711 20 30 DCEDMN NC(=O)c1ccc(C(N)=NC(=O)[C@@H]2CN3CCC2CC3)cc1 ZINC001182017303 771397982 /nfs/dbraw/zinc/39/79/82/771397982.db2.gz NAWQPFJXNYPSBO-CYBMUJFWSA-N 0 1 300.362 0.359 20 30 DCEDMN COc1ccc(C(=NC(=O)[C@H]2CN3CCC2CC3)NO)nc1 ZINC001182016672 771398289 /nfs/dbraw/zinc/39/82/89/771398289.db2.gz GUVOGHVVJFGAFP-LBPRGKRZSA-N 0 1 304.350 0.684 20 30 DCEDMN C=C[C@@](C)(O)CC(=O)N1CC[C@@H](NCc2c(C)nnn2CC)C1 ZINC001182214843 771439799 /nfs/dbraw/zinc/43/97/99/771439799.db2.gz JUZIFBSWGAPLOF-CZUORRHYSA-N 0 1 321.425 0.624 20 30 DCEDMN N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CCn1cccn1 ZINC001110300614 771484472 /nfs/dbraw/zinc/48/44/72/771484472.db2.gz HAXDLKZRTACQBE-MCIONIFRSA-N 0 1 319.434 0.861 20 30 DCEDMN C#CCOCCC(=O)N1CC[C@@H](N[C@@H](C)c2cnccn2)C1 ZINC001182513824 771501889 /nfs/dbraw/zinc/50/18/89/771501889.db2.gz HVKMGKYJIJSARL-UONOGXRCSA-N 0 1 302.378 0.768 20 30 DCEDMN C=C(Cl)CN[C@@H]1CCN(C(=O)CN(C)C(=O)COC)C1 ZINC001183007334 771589414 /nfs/dbraw/zinc/58/94/14/771589414.db2.gz GNHHWJIGJQRUCC-LLVKDONJSA-N 0 1 303.790 0.034 20 30 DCEDMN CC(=O)OC[C@H](N)C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC001157474039 771616050 /nfs/dbraw/zinc/61/60/50/771616050.db2.gz KLGNFLXVUJTZJF-AWEZNQCLSA-N 0 1 316.361 0.097 20 30 DCEDMN C=CCOC(=O)N[C@H]1CCCN(C(=O)C(O)C(F)(F)F)C1 ZINC001183199736 771623205 /nfs/dbraw/zinc/62/32/05/771623205.db2.gz 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/nfs/dbraw/zinc/89/30/32/964893032.db2.gz LPTWOKOERSYBOT-GHMZBOCLSA-N 0 1 308.831 0.753 20 30 DCEDMN C=C(Cl)CNC[C@H](O)CN(C)C(=O)c1cc(C)nnc1C ZINC001369463258 965023015 /nfs/dbraw/zinc/02/30/15/965023015.db2.gz MUVHDGNRWDUNPZ-LBPRGKRZSA-N 0 1 312.801 0.868 20 30 DCEDMN C[C@@H](NC(=O)[C@@H](C)C#N)C1CC[NH+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001369567267 965178680 /nfs/dbraw/zinc/17/86/80/965178680.db2.gz LFQAMKOKZZQDNT-VHSXEESVSA-N 0 1 306.370 0.387 20 30 DCEDMN CC(=O)NCC(=O)N(C)C1CC(NCc2ccccc2C#N)C1 ZINC001369573062 965184075 /nfs/dbraw/zinc/18/40/75/965184075.db2.gz ZXHJVWGJJVAAHH-UHFFFAOYSA-N 0 1 314.389 0.773 20 30 DCEDMN C[C@H](C#N)C(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1ncn[nH]1 ZINC001369595490 965203612 /nfs/dbraw/zinc/20/36/12/965203612.db2.gz NUAIIKDSFZQNRF-OASPWFOLSA-N 0 1 324.344 0.476 20 30 DCEDMN C[C@H](C#N)C(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1nc[nH]n1 ZINC001369595490 965203622 /nfs/dbraw/zinc/20/36/22/965203622.db2.gz NUAIIKDSFZQNRF-OASPWFOLSA-N 0 1 324.344 0.476 20 30 DCEDMN CCC(=O)NCC(=O)N(C)CCN(C)Cc1cccc(C#N)c1 ZINC001374470383 965425487 /nfs/dbraw/zinc/42/54/87/965425487.db2.gz FDJNSPGZFMLXRF-UHFFFAOYSA-N 0 1 316.405 0.975 20 30 DCEDMN Cc1oncc1CNC[C@H](O)CNC(=O)c1c[nH]c(C#N)c1 ZINC001374594726 965604121 /nfs/dbraw/zinc/60/41/21/965604121.db2.gz LIBGRIVVZXQLSB-ZDUSSCGKSA-N 0 1 303.322 0.063 20 30 DCEDMN C[C@@H](C#N)C(=O)N[C@@]1(CO)CCCN(CCOC2CCC2)C1 ZINC001376458170 965682814 /nfs/dbraw/zinc/68/28/14/965682814.db2.gz VJFADTLUQRXLMR-BBRMVZONSA-N 0 1 309.410 0.658 20 30 DCEDMN C[C@@H](CN(C)C(=O)c1ccn[nH]1)NC(=O)c1ccc(C#N)[nH]1 ZINC001381898082 966763490 /nfs/dbraw/zinc/76/34/90/966763490.db2.gz XJSZKURBJOWFHR-VIFPVBQESA-N 0 1 300.322 0.500 20 30 DCEDMN C=C(Cl)CN[C@@H](C)CNC(=O)[C@H]1CCc2nnn(C)c2C1 ZINC001371335902 966912264 /nfs/dbraw/zinc/91/22/64/966912264.db2.gz TYGLHGLXJRJSMA-QWRGUYRKSA-N 0 1 311.817 0.767 20 30 DCEDMN N#Cc1ccc(CN[C@@H](CO)CNC(=O)c2cc[nH]c2)cc1F ZINC001382207413 967069210 /nfs/dbraw/zinc/06/92/10/967069210.db2.gz KAAZKOJZGHSDBJ-CQSZACIVSA-N 0 1 316.336 0.906 20 30 DCEDMN CC[C@H](F)C(=O)NC[C@@H](CO)NCc1ccc(OC)c(C#N)c1 ZINC001382251189 967119583 /nfs/dbraw/zinc/11/95/83/967119583.db2.gz RWSDTMGASZQHIK-KBPBESRZSA-N 0 1 323.368 0.882 20 30 DCEDMN Cc1ncc(CNC[C@H](O)CN(C)C(=O)c2c[nH]c(C#N)c2)o1 ZINC001382381233 967295369 /nfs/dbraw/zinc/29/53/69/967295369.db2.gz CSSFKXMAMFUBIF-ZDUSSCGKSA-N 0 1 317.349 0.406 20 30 DCEDMN C=C(Cl)CNC[C@@H](O)CN(C)C(=O)Cc1c(C)noc1C ZINC001382436703 967372454 /nfs/dbraw/zinc/37/24/54/967372454.db2.gz BEKUHGGTPPWQBO-GFCCVEGCSA-N 0 1 315.801 0.995 20 30 DCEDMN C[C@@H](C[N@H+](C)CCS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-] ZINC000163336131 967660998 /nfs/dbraw/zinc/66/09/98/967660998.db2.gz HLNFPVGISSKIRC-NSHDSACASA-N 0 1 310.375 0.984 20 30 DCEDMN C[C@@H](C[N@@H+](C)CCS(=O)(=O)c1cccc(C#N)c1)C(=O)[O-] ZINC000163336131 967661003 /nfs/dbraw/zinc/66/10/03/967661003.db2.gz HLNFPVGISSKIRC-NSHDSACASA-N 0 1 310.375 0.984 20 30 DCEDMN CCCN(CCNC(=O)c1cc(C#N)c[nH]1)[C@@H](C)C(=O)NC ZINC001372687625 968256040 /nfs/dbraw/zinc/25/60/40/968256040.db2.gz GPZRLWPROPYGLI-NSHDSACASA-N 0 1 305.382 0.463 20 30 DCEDMN C=C(Cl)CN1C[C@@H]2[C@@H](CNC(=O)CCC(=O)NCC)[C@@H]2C1 ZINC001448418644 1013904857 /nfs/dbraw/zinc/90/48/57/1013904857.db2.gz RUCZJTYFDRLVMH-XYYAHUGASA-N 0 1 313.829 0.949 20 30 DCEDMN Cc1cc(CN[C@H](CO)CNC(=O)c2ccc(C#N)[nH]2)sn1 ZINC001448812988 1014051485 /nfs/dbraw/zinc/05/14/85/1014051485.db2.gz BEAHWZSIVPRVQD-NSHDSACASA-N 0 1 319.390 0.532 20 30 DCEDMN C[C@H](C#N)C(=O)NC[C@@H](CO)NCc1cccc2c1OCCO2 ZINC001448820979 1014057145 /nfs/dbraw/zinc/05/71/45/1014057145.db2.gz HSBPWKOGAJTAQR-YPMHNXCESA-N 0 1 319.361 0.184 20 30 DCEDMN COC[C@H](C)C(=O)NC[C@@H](CO)NCc1ccc(F)c(C#N)c1 ZINC001448828531 1014061706 /nfs/dbraw/zinc/06/17/06/1014061706.db2.gz PMSQIXRNMLWCTL-FZMZJTMJSA-N 0 1 323.368 0.547 20 30 DCEDMN Cn1cc[nH+]c1N1CCC(NC(=O)[C@](C)(C#N)CC(=O)[O-])CC1 ZINC001605511848 973690790 /nfs/dbraw/zinc/69/07/90/973690790.db2.gz HKJKEBGYMHIFEW-HNNXBMFYSA-N 0 1 319.365 0.510 20 30 DCEDMN C[C@H](C#N)C(=O)N[C@@]12CCC[C@H]1N(CC(=O)N(C)C1CC1)CC2 ZINC001449037568 1014150954 /nfs/dbraw/zinc/15/09/54/1014150954.db2.gz QFXSANFSKHFGNH-SUYBPPKGSA-N 0 1 318.421 0.880 20 30 DCEDMN COc1cc(CNC[C@@H](O)CN(C)C(=O)[C@H](C)C#N)sn1 ZINC001449115720 1014208292 /nfs/dbraw/zinc/20/82/92/1014208292.db2.gz QAFIRAMALATWLH-NXEZZACHSA-N 0 1 312.395 0.220 20 30 DCEDMN CCOc1cccc(CNC[C@H](O)CN(C)C(=O)[C@@H](C)C#N)n1 ZINC001449123356 1014215526 /nfs/dbraw/zinc/21/55/26/1014215526.db2.gz YEWIMCYCGPBYFF-JSGCOSHPSA-N 0 1 320.393 0.549 20 30 DCEDMN CCOc1cccc(CNC[C@@H](O)CN(C)C(=O)[C@H](C)C#N)n1 ZINC001449123369 1014216271 /nfs/dbraw/zinc/21/62/71/1014216271.db2.gz YEWIMCYCGPBYFF-TZMCWYRMSA-N 0 1 320.393 0.549 20 30 DCEDMN C=C[C@@](C)(CCOC)C(=O)NCCNC(=O)C1=NC(=O)N(C)C1 ZINC001522768017 1014357977 /nfs/dbraw/zinc/35/79/77/1014357977.db2.gz CMDDXXLFKICNED-HNNXBMFYSA-N 0 1 324.381 0.201 20 30 DCEDMN Cc1n[nH]c(C(=O)NCCCNC(=O)c2ccc(C#N)[nH]2)c1C ZINC001522864656 1014436042 /nfs/dbraw/zinc/43/60/42/1014436042.db2.gz PHBIWQQAFQBDLC-UHFFFAOYSA-N 0 1 314.349 0.776 20 30 DCEDMN C#CCC1(C(=O)NCCCNC(=O)CCc2nc[nH]n2)CCC1 ZINC001522873871 1014443631 /nfs/dbraw/zinc/44/36/31/1014443631.db2.gz RGIJGDRHHLDUTQ-UHFFFAOYSA-N 0 1 317.393 0.553 20 30 DCEDMN CCN(CCNC(=O)[C@H]1CCCN1C)C(=O)CSCC#N ZINC001528993745 1014474864 /nfs/dbraw/zinc/47/48/64/1014474864.db2.gz BYFIBQXGPVNQNN-GFCCVEGCSA-N 0 1 312.439 0.302 20 30 DCEDMN C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCNC(=O)c1[nH]ncc1F ZINC001522927755 1014475166 /nfs/dbraw/zinc/47/51/66/1014475166.db2.gz VQGXSPZGQKZDBF-GWCFXTLKSA-N 0 1 324.356 0.766 20 30 DCEDMN CCN(CCNC(=O)[C@H](C)C#N)C(=O)c1c[nH]cc2ncnc1-2 ZINC001529068410 1014487811 /nfs/dbraw/zinc/48/78/11/1014487811.db2.gz DHYBNADCCYBFMV-SNVBAGLBSA-N 0 1 314.349 0.696 20 30 DCEDMN C=CCCC(=O)N1CC[C@@H](N(C)C(=O)CCc2nc[nH]n2)C1 ZINC001523080162 1014547293 /nfs/dbraw/zinc/54/72/93/1014547293.db2.gz TUIFWTBTKTUBNQ-GFCCVEGCSA-N 0 1 305.382 0.763 20 30 DCEDMN C=CCC(CC=C)C(=O)NC1CN(C(=O)CCc2nc[nH]n2)C1 ZINC001530459448 1014758562 /nfs/dbraw/zinc/75/85/62/1014758562.db2.gz SPPQVRCVSHLGOS-UHFFFAOYSA-N 0 1 317.393 0.833 20 30 DCEDMN CCN(CCCNC(=O)Cc1nnc[nH]1)C(=O)C#CC(C)(C)C ZINC001523951503 1014807122 /nfs/dbraw/zinc/80/71/22/1014807122.db2.gz GLSRQIDRXMUXHO-UHFFFAOYSA-N 0 1 319.409 0.752 20 30 DCEDMN C=CCOCC(=O)N1CC(NC(=O)c2n[nH]c3ccccc32)C1 ZINC001530638564 1014849734 /nfs/dbraw/zinc/84/97/34/1014849734.db2.gz OKVWDDOUIFVVAI-UHFFFAOYSA-N 0 1 314.345 0.706 20 30 DCEDMN C#CCN1CCC(C(=O)N2CC[C@@H](NC(=O)[C@@H](F)CC)C2)CC1 ZINC001524218616 1014897858 /nfs/dbraw/zinc/89/78/58/1014897858.db2.gz BSAWGYSWWCZEST-CABCVRRESA-N 0 1 323.412 0.797 20 30 DCEDMN C#CCOCCC(=O)N[C@@H](CNC(=O)[C@@H]1CCCN1C)C1CC1 ZINC001524360267 1014946517 /nfs/dbraw/zinc/94/65/17/1014946517.db2.gz NXDVBHJBEMPHAI-GJZGRUSLSA-N 0 1 321.421 0.132 20 30 DCEDMN C#CC[N@H+]1CCC[C@@H](NC(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)C1 ZINC001588475758 983509694 /nfs/dbraw/zinc/50/96/94/983509694.db2.gz HKLLOGYDOJLGGC-ZENOOKHLSA-N 0 1 307.394 0.836 20 30 DCEDMN C#CC[N@@H+]1CCC[C@@H](NC(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)C1 ZINC001588475758 983509697 /nfs/dbraw/zinc/50/96/97/983509697.db2.gz HKLLOGYDOJLGGC-ZENOOKHLSA-N 0 1 307.394 0.836 20 30 DCEDMN C=C(C)C[C@H](NC(C)=O)C(=O)O[C@H]1C[N@H+](C)[C@@](C)(C(=O)[O-])C1 ZINC001588548600 983624341 /nfs/dbraw/zinc/62/43/41/983624341.db2.gz VJVDOVLIHAAHIA-TYNCELHUSA-N 0 1 312.366 0.548 20 30 DCEDMN CCN(CCC#N)C(=O)C[N@@H+](CCC(=O)[O-])C[C@@H]1CCCO1 ZINC001596299737 983726256 /nfs/dbraw/zinc/72/62/56/983726256.db2.gz YLGXAPYLMQDPOU-ZDUSSCGKSA-N 0 1 311.382 0.704 20 30 DCEDMN C=CC[C@H](C(=O)[O-])[N@H+]1CCC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC001588730676 983999993 /nfs/dbraw/zinc/99/99/93/983999993.db2.gz URUBXIIQTLYAQM-CMPLNLGQSA-N 0 1 308.338 0.731 20 30 DCEDMN C=CCOCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001588868988 984436914 /nfs/dbraw/zinc/43/69/14/984436914.db2.gz JOOJORCYGVYMPQ-CRWXNKLISA-N 0 1 308.378 0.585 20 30 DCEDMN C=CCOCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC001588868988 984436915 /nfs/dbraw/zinc/43/69/15/984436915.db2.gz JOOJORCYGVYMPQ-CRWXNKLISA-N 0 1 308.378 0.585 20 30 DCEDMN Cc1cc(C(=O)N(C)C[C@@H](C)NC(=O)c2ccc(C#N)[nH]2)n[nH]1 ZINC001383668539 984986084 /nfs/dbraw/zinc/98/60/84/984986084.db2.gz BPAZAVAQJFKHIW-SNVBAGLBSA-N 0 1 314.349 0.808 20 30 DCEDMN C[C@H](CN(C)C(=O)[C@H]1CCCN1C)NC(=O)c1ccc(C#N)[nH]1 ZINC001383677954 984995770 /nfs/dbraw/zinc/99/57/70/984995770.db2.gz UTXAEUZJZYSSEI-BXUZGUMPSA-N 0 1 317.393 0.557 20 30 DCEDMN CC[C@H](CNC(=O)C1=NC(=O)N(C)C1)NC(=O)C#CC1CC1 ZINC001531462147 1015175469 /nfs/dbraw/zinc/17/54/69/1015175469.db2.gz WMPMNURAEMAHLK-LLVKDONJSA-N 0 1 304.350 0.164 20 30 DCEDMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1cc(C#N)ccn1 ZINC001594519851 985967480 /nfs/dbraw/zinc/96/74/80/985967480.db2.gz HBFXXJCGSOGUJI-LLVKDONJSA-N 0 1 302.334 0.574 20 30 DCEDMN 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/nfs/dbraw/zinc/76/80/37/671768037.db2.gz WKHFUPHXYWQEIZ-GMSGAONNSA-N 0 1 310.151 0.996 20 30 DCEDMN CC(=O)N1C[C@H](C(=O)N[C@H]2CNC[C@H]2C#N)Oc2ccccc21 ZINC000834511028 671768074 /nfs/dbraw/zinc/76/80/74/671768074.db2.gz HYXZIKWQPBHPBW-TYNCELHUSA-N 0 1 314.345 0.028 20 30 DCEDMN Cc1nc(C(=O)N[C@H]2CNC[C@H]2C#N)nn1-c1ccc(F)cc1 ZINC000834511682 671768088 /nfs/dbraw/zinc/76/80/88/671768088.db2.gz NOQFEARTOAYWNP-MFKMUULPSA-N 0 1 314.324 0.556 20 30 DCEDMN Cc1cc(C)n(-c2ccc(C(=O)N[C@@H]3CNC[C@H]3C#N)cn2)n1 ZINC000834521928 671769207 /nfs/dbraw/zinc/76/92/07/671769207.db2.gz ZDBJXQSDYGVQSA-ZIAGYGMSSA-N 0 1 310.361 0.726 20 30 DCEDMN C#CC[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000834657668 671775085 /nfs/dbraw/zinc/77/50/85/671775085.db2.gz DEYMEIQFQFCSGB-UONOGXRCSA-N 0 1 303.406 0.601 20 30 DCEDMN C#CC[C@@H]1CCCN(C(=O)C(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)C1 ZINC000834817710 671782680 /nfs/dbraw/zinc/78/26/80/671782680.db2.gz YKFJZDGFIDGXIZ-KFWWJZLASA-N 0 1 317.433 0.990 20 30 DCEDMN C#C[C@@H](NS(=O)(=O)c1occc1C(=O)OC)[C@H]1CCCO1 ZINC000867123830 671798249 /nfs/dbraw/zinc/79/82/49/671798249.db2.gz FMKOBIHNRKRDPV-GHMZBOCLSA-N 0 1 313.331 0.525 20 30 DCEDMN C#C[C@H]1COCCN1C(=O)NCC(C)(C)N1CCN(C)CC1 ZINC000837439717 671862081 /nfs/dbraw/zinc/86/20/81/671862081.db2.gz HUSHRCWHPOJWKD-AWEZNQCLSA-N 0 1 308.426 0.056 20 30 DCEDMN C=C(Br)CNC(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000837915337 671884133 /nfs/dbraw/zinc/88/41/33/671884133.db2.gz RDRQMRVFSVKJBF-PHIMTYICSA-N 0 1 320.231 0.992 20 30 DCEDMN C=CCn1cc(C(=O)OC[C@@H]2CN(CC(C)C)CCO2)nn1 ZINC000842716371 672031241 /nfs/dbraw/zinc/03/12/41/672031241.db2.gz FLMYSFLQXNHBIQ-ZDUSSCGKSA-N 0 1 308.382 0.978 20 30 DCEDMN CN(CC(=O)N[C@@H]1CNC[C@H]1C#N)c1ccccc1[N+](=O)[O-] ZINC000843459812 672099127 /nfs/dbraw/zinc/09/91/27/672099127.db2.gz ILAKOFORVLORGV-GHMZBOCLSA-N 0 1 303.322 0.259 20 30 DCEDMN N#C[C@H]1CNC[C@H]1NC(=O)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000843460350 672099201 /nfs/dbraw/zinc/09/92/01/672099201.db2.gz HHYVDBYCVPDKNI-SMDDNHRTSA-N 0 1 323.356 0.184 20 30 DCEDMN N#C[C@H]1CNC[C@H]1NC(=O)c1ccc(C(F)(F)F)[nH]c1=O ZINC000843462082 672099920 /nfs/dbraw/zinc/09/99/20/672099920.db2.gz OFLWQBZWYABSFG-POYBYMJQSA-N 0 1 300.240 0.647 20 30 DCEDMN COc1cc(C#N)ccc1OCC(=O)N[C@@H]1CNC[C@@H]1C#N ZINC000846677228 672336172 /nfs/dbraw/zinc/33/61/72/672336172.db2.gz KSJWBJTZNMMOCG-NWDGAFQWSA-N 0 1 300.318 0.173 20 30 DCEDMN Cc1ncc(C(=O)N2CC[C@@]3(CCN(C(=O)[C@@H](C)C#N)C3)C2)[nH]1 ZINC000953130059 685625764 /nfs/dbraw/zinc/62/57/64/685625764.db2.gz KWXDOHOPDHDDAS-MEDUHNTESA-N 0 1 315.377 0.942 20 30 DCEDMN C#CCCN1CCCC[C@H]1CNC(=O)c1cc(C(N)=O)co1 ZINC001024644270 693815057 /nfs/dbraw/zinc/81/50/57/693815057.db2.gz OJECUVDQMYIGCP-ZDUSSCGKSA-N 0 1 303.362 0.986 20 30 DCEDMN C[C@H](NC(=O)c1cnn[nH]1)[C@@H]1CCCCN1C(=O)C#CC1CC1 ZINC000953604626 685747071 /nfs/dbraw/zinc/74/70/71/685747071.db2.gz WOUHOEWLHWJUAF-FZMZJTMJSA-N 0 1 315.377 0.718 20 30 DCEDMN C#Cc1ccc(C(=O)N2CC(N(C)C(=O)c3ccn[nH]3)C2)cc1 ZINC000953784435 685836913 /nfs/dbraw/zinc/83/69/13/685836913.db2.gz OZCQCASXQORAAP-UHFFFAOYSA-N 0 1 308.341 0.988 20 30 DCEDMN C#Cc1ccc(C(=O)N2CC(N(C)C(=O)Cc3ccn[nH]3)C2)nc1 ZINC000953942608 685908289 /nfs/dbraw/zinc/90/82/89/685908289.db2.gz UHKGLJYONGYHKI-UHFFFAOYSA-N 0 1 323.356 0.312 20 30 DCEDMN C=C1CC(C)(C(=O)N2CC(N(C)C(=O)Cc3ccn[nH]3)C2)C1 ZINC000953946643 685910168 /nfs/dbraw/zinc/91/01/68/685910168.db2.gz VRTITQJCGYOVBK-UHFFFAOYSA-N 0 1 302.378 0.978 20 30 DCEDMN C[C@@H](C#N)C(=O)N1CC(N(C)C(=O)c2cccc3nn[nH]c32)C1 ZINC000954359585 686003893 /nfs/dbraw/zinc/00/38/93/686003893.db2.gz NHYGVSVDJSEGQC-VIFPVBQESA-N 0 1 312.333 0.400 20 30 DCEDMN C=C1CC(C)(C(=O)N(C)C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000955253432 686344844 /nfs/dbraw/zinc/34/48/44/686344844.db2.gz ABJHUCJJWXOREI-VXGBXAGGSA-N 0 1 307.350 0.677 20 30 DCEDMN C#CCN1CCC(C(=O)N2CC[C@@H](NC(C)=O)C[C@H]2C)CC1 ZINC000955710742 686482629 /nfs/dbraw/zinc/48/26/29/686482629.db2.gz UOSKUQDQEGRNQJ-CZUORRHYSA-N 0 1 305.422 0.847 20 30 DCEDMN N#Cc1ccc(C(=O)N2CCC[C@H]2CNC(=O)c2cnn[nH]2)[nH]1 ZINC000955971138 686580219 /nfs/dbraw/zinc/58/02/19/686580219.db2.gz JTTIIAPBDHKPER-JTQLQIEISA-N 0 1 313.321 0.039 20 30 DCEDMN C#Cc1cncc(C(=O)N2CCC[C@H]2CNC(=O)c2cnn[nH]2)c1 ZINC000956206464 686652158 /nfs/dbraw/zinc/65/21/58/686652158.db2.gz AYJWIUBXYLTUDO-ZDUSSCGKSA-N 0 1 324.344 0.216 20 30 DCEDMN CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cn(C3CCC3)nn2)C1 ZINC000958073277 687325695 /nfs/dbraw/zinc/32/56/95/687325695.db2.gz JNDAQXJOZFZZEP-DOMZBBRYSA-N 0 1 317.393 0.049 20 30 DCEDMN C#CCN1C[C@@H](CNC(=O)c2oc(CC3CC3)nc2C)[C@H](O)C1 ZINC000958073547 687326442 /nfs/dbraw/zinc/32/64/42/687326442.db2.gz LXLGDSXNMYXNOZ-ZIAGYGMSSA-N 0 1 317.389 0.591 20 30 DCEDMN C#CCN1C[C@H](O)[C@@H](CNC(=O)c2cn(CC)nc2C2CC2)C1 ZINC000958101736 687348373 /nfs/dbraw/zinc/34/83/73/687348373.db2.gz WPKVXXPSTKQXNS-ZFWWWQNUSA-N 0 1 316.405 0.436 20 30 DCEDMN CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2scnc2CC)C1 ZINC000958122335 687363492 /nfs/dbraw/zinc/36/34/92/687363492.db2.gz ULKPSEADSGRAEY-WCQYABFASA-N 0 1 307.419 0.751 20 30 DCEDMN C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2[nH]cnc2C(F)(F)F)C1 ZINC000958141061 687379101 /nfs/dbraw/zinc/37/91/01/687379101.db2.gz XEOBGACQIKOLBZ-DTWKUNHWSA-N 0 1 316.283 0.084 20 30 DCEDMN C#CCN1C[C@H](O)[C@H](CNC(=O)c2snnc2C2CC2)C1 ZINC000958158322 687391792 /nfs/dbraw/zinc/39/17/92/687391792.db2.gz RHAMEPLKFCFMTL-MNOVXSKESA-N 0 1 306.391 0.071 20 30 DCEDMN C#CCN1C[C@@H](CNC(=O)c2ccc3nc(C)oc3c2)[C@H](O)C1 ZINC000958158839 687392612 /nfs/dbraw/zinc/39/26/12/687392612.db2.gz VPPFQBQXDQNFRA-UKRRQHHQSA-N 0 1 313.357 0.792 20 30 DCEDMN CC#CCN1C[C@@H](CNC(=O)c2cc3n(n2)CCCC3)[C@H](O)C1 ZINC000958167834 687401163 /nfs/dbraw/zinc/40/11/63/687401163.db2.gz QNBVOMTUEXROLC-CZUORRHYSA-N 0 1 316.405 0.265 20 30 DCEDMN C#CC[N@@H+]1C[C@@H](CNC(=O)c2cc(C)c(F)cc2F)[C@H](O)C1 ZINC000958171274 687403357 /nfs/dbraw/zinc/40/33/57/687403357.db2.gz GZDDYGHLRCEPPI-IAQYHMDHSA-N 0 1 308.328 0.929 20 30 DCEDMN C#CCN1C[C@@H](CNC(=O)c2cc(C)c(F)cc2F)[C@H](O)C1 ZINC000958171274 687403360 /nfs/dbraw/zinc/40/33/60/687403360.db2.gz GZDDYGHLRCEPPI-IAQYHMDHSA-N 0 1 308.328 0.929 20 30 DCEDMN CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc3cccn3cn2)C1 ZINC000958176749 687407372 /nfs/dbraw/zinc/40/73/72/687407372.db2.gz YMZBQBWWFQRQGP-XJKSGUPXSA-N 0 1 312.373 0.380 20 30 DCEDMN CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cncc(OC)c2C)C1 ZINC000958179663 687412469 /nfs/dbraw/zinc/41/24/69/687412469.db2.gz QUNZTQKCANKYPD-HIFRSBDPSA-N 0 1 317.389 0.444 20 30 DCEDMN C#CCN1C[C@@H](CNC(=O)c2cn3cc(C)ccc3n2)[C@H](O)C1 ZINC000958180028 687413659 /nfs/dbraw/zinc/41/36/59/687413659.db2.gz XAQLYONMRMCRRW-UKRRQHHQSA-N 0 1 312.373 0.298 20 30 DCEDMN CC#CCN1C[C@H](O)[C@@H](CNC(=O)c2ccnc(OC)c2)C1 ZINC000958199365 687428934 /nfs/dbraw/zinc/42/89/34/687428934.db2.gz HWIUKGVUCGJCFI-KBPBESRZSA-N 0 1 303.362 0.136 20 30 DCEDMN CC#CCN1C[C@H](O)[C@H](CNC(=O)c2ccccc2COC)C1 ZINC000958209796 687440340 /nfs/dbraw/zinc/44/03/40/687440340.db2.gz 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ZINC001663565844 1174322115 /nfs/dbraw/zinc/32/21/15/1174322115.db2.gz DANQATJOUGGTFT-LBPRGKRZSA-N 0 1 318.352 0.022 20 30 DCEDMN C#CCNC(=O)CN1CC[C@H](CNC(=O)c2coc(C)c2)C1 ZINC001663582107 1174325161 /nfs/dbraw/zinc/32/51/61/1174325161.db2.gz MERKSSNHKUVASD-CYBMUJFWSA-N 0 1 303.362 0.389 20 30 DCEDMN C=CCNC(=O)CN1CC[C@H](CNC(=O)C2CCC(O)CC2)C1 ZINC001663582848 1174328175 /nfs/dbraw/zinc/32/81/75/1174328175.db2.gz ZSBITASKUGJZAX-WLYUNCDWSA-N 0 1 323.437 0.278 20 30 DCEDMN COCC#CCN1CC[C@@H](CNC(=O)c2ncccc2F)C1 ZINC001663628973 1174336052 /nfs/dbraw/zinc/33/60/52/1174336052.db2.gz KEOGSNKMVCVKOH-ZDUSSCGKSA-N 0 1 305.353 0.922 20 30 DCEDMN C#CCNC(=O)[C@@H](C)N(CCC)CCNC(=O)c1cnccn1 ZINC001663649638 1174338805 /nfs/dbraw/zinc/33/88/05/1174338805.db2.gz SGSJIWFARGAQGT-CYBMUJFWSA-N 0 1 317.393 0.056 20 30 DCEDMN COc1ccc(CNCCN(C)C(=O)CSCC#N)nn1 ZINC001663825669 1174356217 /nfs/dbraw/zinc/35/62/17/1174356217.db2.gz ZTMGHAHOMPLAEC-UHFFFAOYSA-N 0 1 309.395 0.290 20 30 DCEDMN 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COCC#CCN1CC[C@](C)(NC(=O)c2ccc(=O)n(C)c2)C1 ZINC001671654129 1175027735 /nfs/dbraw/zinc/02/77/35/1175027735.db2.gz NOLMOTUQNRJQIA-KRWDZBQOSA-N 0 1 317.389 0.229 20 30 DCEDMN C=CCOCC(=O)N1CC[C@@](C)(CNCc2cn(CC)nn2)C1 ZINC001671715185 1175032455 /nfs/dbraw/zinc/03/24/55/1175032455.db2.gz SWGNAPIBFTZJFG-INIZCTEOSA-N 0 1 321.425 0.829 20 30 DCEDMN C=C[C@H](COC)NC(=O)NCc1n[nH]c(-c2ccncc2)n1 ZINC001671966887 1175049610 /nfs/dbraw/zinc/04/96/10/1175049610.db2.gz NSAILDUUOJVTAT-LLVKDONJSA-N 0 1 302.338 0.867 20 30 DCEDMN C#CCO[C@H](C)C(=O)NC[C@@]1(O)CCN(Cc2ccccn2)C1 ZINC001671999197 1175056881 /nfs/dbraw/zinc/05/68/81/1175056881.db2.gz VEGUDRMTSHFISX-PBHICJAKSA-N 0 1 317.389 0.173 20 30 DCEDMN COCC#CCN1CC[C@](O)(CNC(=O)[C@H](C)C(C)(C)C)C1 ZINC001672003741 1175059221 /nfs/dbraw/zinc/05/92/21/1175059221.db2.gz NKJNFPJAZLLKRD-YOEHRIQHSA-N 0 1 310.438 0.871 20 30 DCEDMN CC#CCN1CC[C@@](O)(CNC(=O)c2cc3n(n2)CCCC3)C1 ZINC001672003087 1175059752 /nfs/dbraw/zinc/05/97/52/1175059752.db2.gz 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/nfs/dbraw/zinc/17/80/17/758178017.db2.gz PIHOIYSIXQOFFW-KBXIAJHMSA-N 0 1 303.406 0.444 20 30 DCEDMN C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CC[C@@H](C)C3)C[C@@H]21 ZINC001085071633 758191446 /nfs/dbraw/zinc/19/14/46/758191446.db2.gz VYUDQIUIXSDDPZ-OAGGEKHMSA-N 0 1 317.433 0.801 20 30 DCEDMN CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CC[C@H](C)C3)C[C@@H]21 ZINC001085071278 758191868 /nfs/dbraw/zinc/19/18/68/758191868.db2.gz CAIDCZKQXBCCGL-XHSDSOJGSA-N 0 1 317.433 0.801 20 30 DCEDMN CC#CCN1CC[C@@H]2CCN(C(=O)C(=O)N3CC[C@H](C)C3)C[C@@H]21 ZINC001085071278 758191871 /nfs/dbraw/zinc/19/18/71/758191871.db2.gz CAIDCZKQXBCCGL-XHSDSOJGSA-N 0 1 317.433 0.801 20 30 DCEDMN C#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(N)=O)C[C@@H]21 ZINC001085106604 758211668 /nfs/dbraw/zinc/21/16/68/758211668.db2.gz BQVFQSIDGWXIDC-RDBSUJKOSA-N 0 1 304.394 0.086 20 30 DCEDMN N#Cc1cnc(N[C@H]2CCCN(C(=O)CN3CCCC3)C2)cn1 ZINC001057650344 758216303 /nfs/dbraw/zinc/21/63/03/758216303.db2.gz DXVKTMMDKIUDSY-ZDUSSCGKSA-N 0 1 314.393 0.847 20 30 DCEDMN N#Cc1nccnc1N[C@@H]1CCCN(C(=O)CN2CCCC2)C1 ZINC001057651777 758219509 /nfs/dbraw/zinc/21/95/09/758219509.db2.gz VNLMVWMZZPTBPT-CYBMUJFWSA-N 0 1 314.393 0.847 20 30 DCEDMN Cc1nsc(N2CC[C@@](C)(NC(=O)c3ncn[nH]3)C2)c1C#N ZINC001065273383 758310838 /nfs/dbraw/zinc/31/08/38/758310838.db2.gz OYLWQEFYBXVAIX-CYBMUJFWSA-N 0 1 317.378 0.840 20 30 DCEDMN Cc1nsc(N2CC[C@@](C)(NC(=O)c3nc[nH]n3)C2)c1C#N ZINC001065273383 758310846 /nfs/dbraw/zinc/31/08/46/758310846.db2.gz OYLWQEFYBXVAIX-CYBMUJFWSA-N 0 1 317.378 0.840 20 30 DCEDMN Cc1cc(N2CC[C@@](C)(NC(=O)c3ncn[nH]3)C2)c(C#N)cn1 ZINC001065272956 758311009 /nfs/dbraw/zinc/31/10/09/758311009.db2.gz FKIKTNRVHKLWGX-OAHLLOKOSA-N 0 1 311.349 0.779 20 30 DCEDMN Cc1cc(N2CC[C@@](C)(NC(=O)c3nc[nH]n3)C2)c(C#N)cn1 ZINC001065272956 758311019 /nfs/dbraw/zinc/31/10/19/758311019.db2.gz FKIKTNRVHKLWGX-OAHLLOKOSA-N 0 1 311.349 0.779 20 30 DCEDMN N#Cc1ccc(N[C@@H]2CCCN(C(=O)Cc3ncn[nH]3)C2)nc1 ZINC001057694073 758311840 /nfs/dbraw/zinc/31/18/40/758311840.db2.gz PYWOIJIBUDTFMT-GFCCVEGCSA-N 0 1 311.349 0.717 20 30 DCEDMN C=C(C)CCN1CCO[C@](C)(CNC(=O)[C@@H](COC)OC)C1 ZINC001108195891 758362267 /nfs/dbraw/zinc/36/22/67/758362267.db2.gz NGPDEOXFWULXBU-GDBMZVCRSA-N 0 1 314.426 0.821 20 30 DCEDMN C=CCCOCC(=O)N1CC[C@H]([C@H](C)NC(=O)c2ncn[nH]2)C1 ZINC001051017536 758373431 /nfs/dbraw/zinc/37/34/31/758373431.db2.gz LUXQLPHATRDWOZ-RYUDHWBXSA-N 0 1 321.381 0.364 20 30 DCEDMN C=CCCOCC(=O)N1CC[C@H]([C@H](C)NC(=O)c2nc[nH]n2)C1 ZINC001051017536 758373439 /nfs/dbraw/zinc/37/34/39/758373439.db2.gz LUXQLPHATRDWOZ-RYUDHWBXSA-N 0 1 321.381 0.364 20 30 DCEDMN C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccoc1C ZINC001113834240 762627207 /nfs/dbraw/zinc/62/72/07/762627207.db2.gz RECQXZICLIEIHO-RABLLNBGSA-N 0 1 317.389 0.939 20 30 DCEDMN CC#CCCCC(=O)N1CC[C@H]([C@@H](C)NC(=O)c2cnn[nH]2)C1 ZINC001051357367 758590766 /nfs/dbraw/zinc/59/07/66/758590766.db2.gz HNTTZACKYLUZGE-OLZOCXBDSA-N 0 1 317.393 0.965 20 30 DCEDMN Cc1cnc(CNC[C@@H]2CN(C(=O)[C@H](C)C#N)CCO2)cn1 ZINC001051488287 758703586 /nfs/dbraw/zinc/70/35/86/758703586.db2.gz KEYFZNOJPLCZCU-BXUZGUMPSA-N 0 1 303.366 0.262 20 30 DCEDMN C[C@H](C#N)C(=O)N1CCO[C@H](CNCc2n[nH]c(C3CC3)n2)C1 ZINC001051495192 758714792 /nfs/dbraw/zinc/71/47/92/758714792.db2.gz SAQUFYNHMPEZIW-ZYHUDNBSSA-N 0 1 318.381 0.159 20 30 DCEDMN C=CC(C)(C)C(=O)N[C@H]1CCN(CCOCCOC)C[C@@H]1O ZINC001099957594 758793084 /nfs/dbraw/zinc/79/30/84/758793084.db2.gz TYWOWVCUQWHDBS-KBPBESRZSA-N 0 1 314.426 0.413 20 30 DCEDMN C[C@@H](NC(=O)COc1cccc(C#N)c1)[C@H]1CN(C)CCN1C ZINC000826791818 758842805 /nfs/dbraw/zinc/84/28/05/758842805.db2.gz MKHNYCRBJNCGTG-CZUORRHYSA-N 0 1 316.405 0.688 20 30 DCEDMN CC(C)C#CC(=O)N[C@H](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001051671202 758848476 /nfs/dbraw/zinc/84/84/76/758848476.db2.gz FGFGXBOLRLSDMV-KGLIPLIRSA-N 0 1 316.405 0.965 20 30 DCEDMN C=CC(C)(C)C(=O)N1CCO[C@H](CNCc2nccn2C)C1 ZINC001051757218 758922949 /nfs/dbraw/zinc/92/29/49/758922949.db2.gz ZMHJZINPRBKEQR-CYBMUJFWSA-N 0 1 306.410 0.949 20 30 DCEDMN C=C1CC(C)(C(=O)N2CCO[C@@H](CNCc3cnnn3C)C2)C1 ZINC001051815640 758966280 /nfs/dbraw/zinc/96/62/80/758966280.db2.gz XWUOCPBFHXTDHB-AWEZNQCLSA-N 0 1 319.409 0.488 20 30 DCEDMN C#CCCN1CCN([C@H]2CCN(C(=O)[C@@H]3CCCO3)C2)CC1 ZINC001051981581 759081856 /nfs/dbraw/zinc/08/18/56/759081856.db2.gz RQMADJQDAHYEBZ-HOTGVXAUSA-N 0 1 305.422 0.407 20 30 DCEDMN C#CCCN1CCN([C@@H]2CCN(C(=O)[C@H]3CCCO3)C2)CC1 ZINC001051981585 759081953 /nfs/dbraw/zinc/08/19/53/759081953.db2.gz RQMADJQDAHYEBZ-HZPDHXFCSA-N 0 1 305.422 0.407 20 30 DCEDMN C=C(C)CN1CCN([C@@H]2CCN(C(=O)[C@@H]3COCCO3)C2)CC1 ZINC001051989748 759089091 /nfs/dbraw/zinc/08/90/91/759089091.db2.gz INFBKHVHJWHGDH-CVEARBPZSA-N 0 1 323.437 0.196 20 30 DCEDMN C#CCCN1CCN([C@H]2CCN(C(=O)c3n[nH]cc3C)C2)CC1 ZINC001052025294 759126128 /nfs/dbraw/zinc/12/61/28/759126128.db2.gz AVLNBBNMNFQCQF-HNNXBMFYSA-N 0 1 315.421 0.574 20 30 DCEDMN C=C(C)CN1CCN([C@@H]2CCN(C(=O)[C@]34C[C@H]3COC4)C2)CC1 ZINC001052030606 759128897 /nfs/dbraw/zinc/12/88/97/759128897.db2.gz RTCRDCWYKXUUNM-JZXOWHBKSA-N 0 1 319.449 0.818 20 30 DCEDMN C#CCCN1CCN([C@H]2CCN(C(=O)c3ccns3)C2)CC1 ZINC001052035818 759131881 /nfs/dbraw/zinc/13/18/81/759131881.db2.gz QRMFGYDYSTYUON-AWEZNQCLSA-N 0 1 318.446 0.999 20 30 DCEDMN C#CCCN1CC[C@H]1CN(C)C(=O)[C@@H]1CC(=O)N(C(C)C)C1 ZINC001085625893 759141747 /nfs/dbraw/zinc/14/17/47/759141747.db2.gz BNNSMUNPEDJBJK-CABCVRRESA-N 0 1 305.422 0.799 20 30 DCEDMN C#CCCN1CCN([C@H]2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)CC1 ZINC001052064839 759153440 /nfs/dbraw/zinc/15/34/40/759153440.db2.gz HPKNKAAXEKNIAH-MWDXBVQZSA-N 0 1 317.433 0.121 20 30 DCEDMN C#CCCN1CCN([C@@H]2CCN(C(=O)c3ncccn3)C2)CC1 ZINC001052099605 759177393 /nfs/dbraw/zinc/17/73/93/759177393.db2.gz NVDYARQONYGZGN-OAHLLOKOSA-N 0 1 313.405 0.332 20 30 DCEDMN C=C(C)CN1CCN([C@H]2CCN(C(=O)c3ccn(C)n3)C2)CC1 ZINC001052118847 759192085 /nfs/dbraw/zinc/19/20/85/759192085.db2.gz YUKWXNJJPCCDLN-HNNXBMFYSA-N 0 1 317.437 0.828 20 30 DCEDMN C#CCCN1CCN([C@@H]2CCN(C(=O)Cn3ccnc3)C2)CC1 ZINC001052123909 759193202 /nfs/dbraw/zinc/19/32/02/759193202.db2.gz SYOAFZXAGGDSHP-MRXNPFEDSA-N 0 1 315.421 0.125 20 30 DCEDMN COCC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCOCC(C)C ZINC001113922577 762693806 /nfs/dbraw/zinc/69/38/06/762693806.db2.gz QNFXXWIBDGXTCZ-QLPKVWCKSA-N 0 1 308.422 0.745 20 30 DCEDMN C[C@H](CNc1nccnc1C#N)NC(=O)c1[nH]nc2c1CCC2 ZINC001108205998 759226171 /nfs/dbraw/zinc/22/61/71/759226171.db2.gz CCKMCPJGMCQHCQ-SECBINFHSA-N 0 1 311.349 0.790 20 30 DCEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1cncc(-n2ccnn2)c1 ZINC001085742048 759254246 /nfs/dbraw/zinc/25/42/46/759254246.db2.gz HQPGRPIZHCMBMF-OAHLLOKOSA-N 0 1 324.388 0.832 20 30 DCEDMN C#CCCCC(=O)NC[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H]1C ZINC001052279617 759303974 /nfs/dbraw/zinc/30/39/74/759303974.db2.gz LTKZNRHCAIESED-ZIAGYGMSSA-N 0 1 316.405 0.966 20 30 DCEDMN CN(C)C(=O)CN1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC001052284308 759305943 /nfs/dbraw/zinc/30/59/43/759305943.db2.gz BGMNJVPFWKBETF-ZDUSSCGKSA-N 0 1 317.393 0.559 20 30 DCEDMN N#Cc1c[nH]c(C(=O)N[C@H]2CCCN([C@@H]3CCNC3=O)CC2)c1 ZINC001052288790 759307422 /nfs/dbraw/zinc/30/74/22/759307422.db2.gz PJWXGIQNOJYLEB-GXTWGEPZSA-N 0 1 315.377 0.359 20 30 DCEDMN C#CCCN1CC[C@H]1CN(C)C(=O)c1ccoc1CC(N)=O ZINC001085784441 759311157 /nfs/dbraw/zinc/31/11/57/759311157.db2.gz UABPNNCEQMJVBG-LBPRGKRZSA-N 0 1 303.362 0.477 20 30 DCEDMN N#Cc1ccc(C(=O)N[C@@H]2CCCN([C@H]3CCNC3=O)CC2)[nH]1 ZINC001052319653 759327140 /nfs/dbraw/zinc/32/71/40/759327140.db2.gz IEVWARSDHZSKCN-RISCZKNCSA-N 0 1 315.377 0.359 20 30 DCEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2nnnn2CC1 ZINC001085829212 759362039 /nfs/dbraw/zinc/36/20/39/759362039.db2.gz RUFPDJPFPLQLJH-UONOGXRCSA-N 0 1 318.425 0.734 20 30 DCEDMN C#CCCCC(=O)N1C[C@@H](CNC(=O)c2ncn[nH]2)[C@H](C)C1 ZINC001052478421 759440651 /nfs/dbraw/zinc/44/06/51/759440651.db2.gz QBDVCLUKGGTSIH-VXGBXAGGSA-N 0 1 303.366 0.433 20 30 DCEDMN C#CCCCC(=O)N1C[C@@H](CNC(=O)c2nc[nH]n2)[C@H](C)C1 ZINC001052478421 759440656 /nfs/dbraw/zinc/44/06/56/759440656.db2.gz QBDVCLUKGGTSIH-VXGBXAGGSA-N 0 1 303.366 0.433 20 30 DCEDMN C=C(C)CN1CCC[C@@H](NC(=O)CC2CS(=O)(=O)C2)CC1 ZINC001052505945 759457744 /nfs/dbraw/zinc/45/77/44/759457744.db2.gz SFXGUCVHNAXQKO-CQSZACIVSA-N 0 1 314.451 0.968 20 30 DCEDMN C[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1CNC(=O)c1cnn[nH]1 ZINC001052559321 759493053 /nfs/dbraw/zinc/49/30/53/759493053.db2.gz IESUSFNOORJLBJ-RYUDHWBXSA-N 0 1 317.393 0.679 20 30 DCEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2nnc(C)n2C1 ZINC001085985200 759549960 /nfs/dbraw/zinc/54/99/60/759549960.db2.gz VOXNUBPBMCSTEI-LSDHHAIUSA-N 0 1 315.421 0.705 20 30 DCEDMN N#Cc1nccnc1N1CCC(CNC(=O)c2ncn[nH]2)CC1 ZINC001057796162 759553309 /nfs/dbraw/zinc/55/33/09/759553309.db2.gz WIUTXIKOGRSYOO-UHFFFAOYSA-N 0 1 312.337 0.113 20 30 DCEDMN N#Cc1nccnc1N1CCC(CNC(=O)c2nc[nH]n2)CC1 ZINC001057796162 759553313 /nfs/dbraw/zinc/55/33/13/759553313.db2.gz WIUTXIKOGRSYOO-UHFFFAOYSA-N 0 1 312.337 0.113 20 30 DCEDMN 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322.409 0.614 20 30 DCEDMN CC#CCN1CCC(NC(=O)[C@H]2CC(=O)N(CCOC)C2)CC1 ZINC001002953243 666251151 /nfs/dbraw/zinc/25/11/51/666251151.db2.gz JYRJEPLEFWZAFW-AWEZNQCLSA-N 0 1 321.421 0.085 20 30 DCEDMN C#CCN1CC[C@H](NC(=O)c2c(C)nn(C)c2OC)[C@H](C)C1 ZINC000943287391 666266228 /nfs/dbraw/zinc/26/62/28/666266228.db2.gz JCJLZTGBPBLKGP-YPMHNXCESA-N 0 1 304.394 0.811 20 30 DCEDMN CC#CCN1CCC(NC(=O)C2CCC(C(N)=O)CC2)CC1 ZINC001003218859 666284120 /nfs/dbraw/zinc/28/41/20/666284120.db2.gz AIHKICMHCAPULR-UHFFFAOYSA-N 0 1 305.422 0.882 20 30 DCEDMN CC#CCN1CCC(NC(=O)c2cnc3[nH]c(=O)[nH]c3c2)CC1 ZINC001003217498 666286364 /nfs/dbraw/zinc/28/63/64/666286364.db2.gz JMRRJLCJWPLWRG-UHFFFAOYSA-N 0 1 313.361 0.881 20 30 DCEDMN C=C(Cl)C[NH+]1CCC(NC(=O)c2n[nH]c(=O)[n-]c2=O)CC1 ZINC001003250001 666288002 /nfs/dbraw/zinc/28/80/02/666288002.db2.gz DBZYWZBCOVTIQA-UHFFFAOYSA-N 0 1 313.745 0.230 20 30 DCEDMN C=CCCN1CCC(NC(=O)C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001003262900 666289467 /nfs/dbraw/zinc/28/94/67/666289467.db2.gz 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ZINC001032138203 666371694 /nfs/dbraw/zinc/37/16/94/666371694.db2.gz QEMWZQNRPYYNKL-NSHDSACASA-N 0 1 324.388 0.912 20 30 DCEDMN C=C(C)CC[N@H+]1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H](C)C1 ZINC000944345322 666418092 /nfs/dbraw/zinc/41/80/92/666418092.db2.gz FOMPRMSMPJSNBK-RYUDHWBXSA-N 0 1 323.397 0.482 20 30 DCEDMN C[C@@H](CC#N)C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 ZINC000922339651 666419797 /nfs/dbraw/zinc/41/97/97/666419797.db2.gz RNTKFDOVLCTREQ-GJZGRUSLSA-N 0 1 308.426 0.449 20 30 DCEDMN C#CCN1CC[C@@H](NC(=O)c2nc3nccc(C)n3n2)[C@@H](C)C1 ZINC000944619969 666469806 /nfs/dbraw/zinc/46/98/06/666469806.db2.gz QCLVNAIJEXVSNQ-WCQYABFASA-N 0 1 312.377 0.506 20 30 DCEDMN CC#CCN1CCC(NC(=O)Cc2nc(C3CC3)nn2C)CC1 ZINC001004183219 666469917 /nfs/dbraw/zinc/46/99/17/666469917.db2.gz WQVPZTFLRDQSBX-UHFFFAOYSA-N 0 1 315.421 0.839 20 30 DCEDMN C#CCN1CCC(NC(=O)[C@@H]2CCc3nnc(C)n3C2)CC1 ZINC001004193727 666474206 /nfs/dbraw/zinc/47/42/06/666474206.db2.gz CSTLRFOZBKJJAX-CYBMUJFWSA-N 0 1 301.394 0.363 20 30 DCEDMN CO[C@]1(CNCc2ccc(C#N)c(F)c2)CCS(=O)(=O)C1 ZINC000922617398 666496305 /nfs/dbraw/zinc/49/63/05/666496305.db2.gz MFVFMBGXGYGCMQ-AWEZNQCLSA-N 0 1 312.366 0.991 20 30 DCEDMN C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2nnn(C(C)(C)C)n2)C1 ZINC001033095752 666502496 /nfs/dbraw/zinc/50/24/96/666502496.db2.gz FSBUMTBOZOHJCW-GFCCVEGCSA-N 0 1 304.398 0.598 20 30 DCEDMN C#CCCN1CC[C@@H](N(C)C(=O)c2nnn(C(C)(C)C)n2)C1 ZINC001033095752 666502498 /nfs/dbraw/zinc/50/24/98/666502498.db2.gz FSBUMTBOZOHJCW-GFCCVEGCSA-N 0 1 304.398 0.598 20 30 DCEDMN C#CCN1CCC(C(=O)N2CC[C@H](C)[C@@H](NC(C)=O)C2)CC1 ZINC001004299058 666508158 /nfs/dbraw/zinc/50/81/58/666508158.db2.gz PXSJYDNMHINHRR-BBRMVZONSA-N 0 1 305.422 0.705 20 30 DCEDMN C=C(C)C[C@@H](CO)NC(=O)c1cccc(N2CCN(C)CC2)n1 ZINC000922738912 666516988 /nfs/dbraw/zinc/51/69/88/666516988.db2.gz WOENNMZWUPNVJA-AWEZNQCLSA-N 0 1 318.421 0.890 20 30 DCEDMN C=CC(C)(C)C(=O)N1CCO[C@@H](CNC(=O)c2[nH]ncc2F)C1 ZINC000944758220 666520019 /nfs/dbraw/zinc/52/00/19/666520019.db2.gz 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IEFNWCLWRMWQRZ-KBPBESRZSA-N 0 1 321.421 0.390 20 30 DCEDMN C#CCNC(=O)[C@H](C)N1CCC2(CN(C(=O)c3ccc[nH]3)C2)C1 ZINC001146992641 767594370 /nfs/dbraw/zinc/59/43/70/767594370.db2.gz WZWUWGGTQYFOGW-ZDUSSCGKSA-N 0 1 314.389 0.301 20 30 DCEDMN COCCCOCC(=O)NCCNCc1ccc(C#N)cc1F ZINC001147061370 767634977 /nfs/dbraw/zinc/63/49/77/767634977.db2.gz AQZLBKNNJWMDFC-UHFFFAOYSA-N 0 1 323.368 0.956 20 30 DCEDMN COCC#CCN1CCC2(CN(C(=O)c3n[nH]c(C)c3C)C2)C1 ZINC001147255870 767685737 /nfs/dbraw/zinc/68/57/37/767685737.db2.gz BKCLXHOUGBRUKS-UHFFFAOYSA-N 0 1 316.405 0.824 20 30 DCEDMN C=CCOCC(=O)N1CC2(C1)CCN([C@@H](C)c1n[nH]c(C)n1)C2 ZINC001147256267 767686929 /nfs/dbraw/zinc/68/69/29/767686929.db2.gz REAYDDQQQKVAGT-LBPRGKRZSA-N 0 1 319.409 0.911 20 30 DCEDMN C#CCNCC(=O)NC[C@@H](c1ccc(C)o1)N1CCOCC1 ZINC001121983324 767688864 /nfs/dbraw/zinc/68/88/64/767688864.db2.gz WPFBHGLFBUOXAO-AWEZNQCLSA-N 0 1 305.378 0.300 20 30 DCEDMN C#CCNCC(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC001122108746 767715913 /nfs/dbraw/zinc/71/59/13/767715913.db2.gz HNAMCOFVMJZSQF-UHFFFAOYSA-N 0 1 317.389 0.575 20 30 DCEDMN C#CCCCCC(=O)N1CC2(C1)CC[N@H+](Cc1n[nH]c(=O)[n-]1)C2 ZINC001147374978 767729759 /nfs/dbraw/zinc/72/97/59/767729759.db2.gz YWQIKKZGBMDYIG-UHFFFAOYSA-N 0 1 317.393 0.738 20 30 DCEDMN C#CCCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1n[nH]c(=O)[n-]1)C2 ZINC001147374978 767729760 /nfs/dbraw/zinc/72/97/60/767729760.db2.gz YWQIKKZGBMDYIG-UHFFFAOYSA-N 0 1 317.393 0.738 20 30 DCEDMN C#CCO[C@H](C)C(=O)N1CC2(C1)CCN(CC#CCOC)C2 ZINC001147530768 767781091 /nfs/dbraw/zinc/78/10/91/767781091.db2.gz QQVSFNORHDTFNH-OAHLLOKOSA-N 0 1 304.390 0.209 20 30 DCEDMN N#Cc1ccc(N[C@H](CO)CNC(=O)c2[nH]ncc2F)cn1 ZINC001122494132 767815997 /nfs/dbraw/zinc/81/59/97/767815997.db2.gz OAWXKZLPWVQBFL-JTQLQIEISA-N 0 1 304.285 0.018 20 30 DCEDMN N#Cc1c(F)cccc1N[C@@H](CO)CNC(=O)c1[nH]ncc1F ZINC001122494473 767816307 /nfs/dbraw/zinc/81/63/07/767816307.db2.gz RNXYISZLNNKHQU-MRVPVSSYSA-N 0 1 321.287 0.762 20 30 DCEDMN Cn1cnnc1CN[C@H]1C[C@H](NC(=O)C#CC2CC2)C12CCC2 ZINC001202888290 768451070 /nfs/dbraw/zinc/45/10/70/768451070.db2.gz PPRNMYCBHJLNSJ-KBPBESRZSA-N 0 1 313.405 0.746 20 30 DCEDMN Cc1ncc(C(=O)N2CCC(OC3CN(CC#N)C3)CC2)[nH]1 ZINC001093517467 768596124 /nfs/dbraw/zinc/59/61/24/768596124.db2.gz ORZWSLRKRAULCA-UHFFFAOYSA-N 0 1 303.366 0.547 20 30 DCEDMN C#CCN1CC(OC2CCN(C(=O)CCc3nc[nH]n3)CC2)C1 ZINC001093524414 768601282 /nfs/dbraw/zinc/60/12/82/768601282.db2.gz WOYBVZIWLKNQOH-UHFFFAOYSA-N 0 1 317.393 0.062 20 30 DCEDMN C=CCOCCN1CCCO[C@H](CNC(=O)c2ccon2)C1 ZINC001149282257 768723874 /nfs/dbraw/zinc/72/38/74/768723874.db2.gz VUCOVEWCIIJLCU-CYBMUJFWSA-N 0 1 309.366 0.698 20 30 DCEDMN CC1CCN(CC(=O)NCCNc2ccnc(C#N)n2)CC1 ZINC001093823840 768737574 /nfs/dbraw/zinc/73/75/74/768737574.db2.gz TWFABFWXAKRDTC-UHFFFAOYSA-N 0 1 302.382 0.030 20 30 DCEDMN C=CCOCC(=O)NC[C@@H]1C[N@@H+](CCOC(C)C)CCCO1 ZINC001149383379 768741866 /nfs/dbraw/zinc/74/18/66/768741866.db2.gz FGIHWFBSGNFZNC-OAHLLOKOSA-N 0 1 314.426 0.821 20 30 DCEDMN C=CCOCCN1CCCO[C@H](CNC(=O)C#CC2CC2)C1 ZINC001149695049 768822529 /nfs/dbraw/zinc/82/25/29/768822529.db2.gz XHRHFIXDQNWKMQ-MRXNPFEDSA-N 0 1 306.406 0.810 20 30 DCEDMN C=CCN(CCCNC(=O)CC(=O)NC)Cc1cccnc1 ZINC001230741845 768825725 /nfs/dbraw/zinc/82/57/25/768825725.db2.gz YDZQSOITVKNYLM-UHFFFAOYSA-N 0 1 304.394 0.712 20 30 DCEDMN Cc1nc(CN2CCCO[C@H](CNC(=O)C#CC(C)C)C2)n[nH]1 ZINC001149715142 768831540 /nfs/dbraw/zinc/83/15/40/768831540.db2.gz OBOJNVSXAZYEEG-CQSZACIVSA-N 0 1 319.409 0.480 20 30 DCEDMN C=CCOCCN1CC[C@@H]1CN(C)C(=O)CCn1cncn1 ZINC001230781962 768849058 /nfs/dbraw/zinc/84/90/58/768849058.db2.gz PDKSTUGTXRXHEL-CQSZACIVSA-N 0 1 307.398 0.404 20 30 DCEDMN CC#CCN1CCCO[C@@H](CNC(=O)CCc2ccnn2C)C1 ZINC001149789392 768857120 /nfs/dbraw/zinc/85/71/20/768857120.db2.gz MOCCOPVSSFJSCG-INIZCTEOSA-N 0 1 318.421 0.583 20 30 DCEDMN C=CCN1CCCO[C@H](CNC(=O)Cn2cc(C3CC3)nn2)C1 ZINC001149841235 768879512 /nfs/dbraw/zinc/87/95/12/768879512.db2.gz ACQWIDJTXZTBAC-CQSZACIVSA-N 0 1 319.409 0.549 20 30 DCEDMN C=CCOCCN1CC[C@@H]1CN(C)C(=O)CNC(=O)C1CC1 ZINC001230877138 768898029 /nfs/dbraw/zinc/89/80/29/768898029.db2.gz USMUZSSCINGTCT-CQSZACIVSA-N 0 1 309.410 0.248 20 30 DCEDMN C=CCN1CCCO[C@@H](CNC(=O)C[C@H]2CCN(C)C2=O)C1 ZINC001149890034 768903005 /nfs/dbraw/zinc/90/30/05/768903005.db2.gz QJLZUAGIBGXXEF-KGLIPLIRSA-N 0 1 309.410 0.248 20 30 DCEDMN COC[C@](C)(C#N)NC(=O)Cc1n[nH]c(C2CCOCC2)n1 ZINC001149893298 768905180 /nfs/dbraw/zinc/90/51/80/768905180.db2.gz XBSDREXVYQYPLD-AWEZNQCLSA-N 0 1 307.354 0.286 20 30 DCEDMN CC#CCN1CCCO[C@H](CNC(=O)CCc2ccon2)C1 ZINC001149983502 768921048 /nfs/dbraw/zinc/92/10/48/768921048.db2.gz RCZJDXCQKHTPKD-OAHLLOKOSA-N 0 1 305.378 0.838 20 30 DCEDMN C[C@H]1CCc2[nH]ncc2[C@@H]1C(=O)NCCNc1ccncc1C#N ZINC001094272765 768936119 /nfs/dbraw/zinc/93/61/19/768936119.db2.gz FPTYYZZKZJWDKB-MEDUHNTESA-N 0 1 324.388 0.992 20 30 DCEDMN CC#CCN1CCCO[C@H](CNC(=O)C[C@H]2CCC(=O)N2C)C1 ZINC001150078233 768939656 /nfs/dbraw/zinc/93/96/56/768939656.db2.gz IMEBHXPTHUVTSW-HUUCEWRRSA-N 0 1 321.421 0.228 20 30 DCEDMN CC#CCN1CCCO[C@@H](CNC(=O)C[C@H]2CCC(=O)N2C)C1 ZINC001150078231 768940412 /nfs/dbraw/zinc/94/04/12/768940412.db2.gz IMEBHXPTHUVTSW-CABCVRRESA-N 0 1 321.421 0.228 20 30 DCEDMN C=CCN1CCCO[C@@H](CNC(=O)COc2cnn(C)c2)C1 ZINC001150180139 769029721 /nfs/dbraw/zinc/02/97/21/769029721.db2.gz VMCMPOXNSXFTFC-ZDUSSCGKSA-N 0 1 308.382 0.192 20 30 DCEDMN CC#CCN1CCCO[C@H](CNC(=O)CC2=CCOCC2)C1 ZINC001150248135 769047021 /nfs/dbraw/zinc/04/70/21/769047021.db2.gz RSWMKBBUGHIRSH-MRXNPFEDSA-N 0 1 306.406 0.954 20 30 DCEDMN C=CCN1CCCO[C@@H](CNC(=O)Cn2cc(Cl)cn2)C1 ZINC001150385717 769082080 /nfs/dbraw/zinc/08/20/80/769082080.db2.gz GEUNOFXENOAVHL-ZDUSSCGKSA-N 0 1 312.801 0.930 20 30 DCEDMN N#Cc1cnccc1NCCCNC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC001094569263 769107138 /nfs/dbraw/zinc/10/71/38/769107138.db2.gz LHGQFBXWKOTVQR-GFCCVEGCSA-N 0 1 324.388 0.822 20 30 DCEDMN C=CC[N@H+]1CCCO[C@@H](CNC(=O)Cc2cnn(CC)c2)C1 ZINC001150588367 769130902 /nfs/dbraw/zinc/13/09/02/769130902.db2.gz ORSHBAILAKXWIY-HNNXBMFYSA-N 0 1 306.410 0.839 20 30 DCEDMN C=CCN1CCCO[C@@H](CNC(=O)Cc2cnn(CC)c2)C1 ZINC001150588367 769130903 /nfs/dbraw/zinc/13/09/03/769130903.db2.gz ORSHBAILAKXWIY-HNNXBMFYSA-N 0 1 306.410 0.839 20 30 DCEDMN C=C(C)CCN1CC(N2C[C@H](NC(=O)[C@@H]3CCOC3)CC2=O)C1 ZINC001094709405 769166584 /nfs/dbraw/zinc/16/65/84/769166584.db2.gz KRZLSRRMMXGCGM-ZIAGYGMSSA-N 0 1 321.421 0.390 20 30 DCEDMN C=CCNC(=O)NC(=O)[C@@H](C)N(C)CCCNC(=O)C1CC1 ZINC001231081032 769166641 /nfs/dbraw/zinc/16/66/41/769166641.db2.gz DGWSWXQQTCTPSX-LLVKDONJSA-N 0 1 310.398 0.235 20 30 DCEDMN C=CCCC(=O)N(C)C[C@@H]1CCN1C[C@H](O)CN1CCCC1=O ZINC001231169695 769186528 /nfs/dbraw/zinc/18/65/28/769186528.db2.gz JYADZNCSYBTAKM-GJZGRUSLSA-N 0 1 323.437 0.469 20 30 DCEDMN C=CCCC(=O)N(C)C[C@@H]1CCN1CCCN1C(=O)CNC1=O ZINC001231179319 769187186 /nfs/dbraw/zinc/18/71/86/769187186.db2.gz RMVFNXPDNOTJAB-ZDUSSCGKSA-N 0 1 322.409 0.427 20 30 DCEDMN C=CCN1CCCO[C@H](CNC(=O)[C@H](C)NC(=O)C2CCC2)C1 ZINC001150831332 769198781 /nfs/dbraw/zinc/19/87/81/769198781.db2.gz LUKLCSZETGNBLY-DZGCQCFKSA-N 0 1 323.437 0.684 20 30 DCEDMN CC(=O)NCC(=O)NCCCN(C)CC#Cc1ccc(F)cc1 ZINC001231258501 769210947 /nfs/dbraw/zinc/21/09/47/769210947.db2.gz IVOKHLBFBDZVAK-UHFFFAOYSA-N 0 1 319.380 0.751 20 30 DCEDMN Cc1ccc(C(=O)NCCCN(C)CC(=O)NCC#N)s1 ZINC001231301228 769220703 /nfs/dbraw/zinc/22/07/03/769220703.db2.gz OOFHSIKJLIQMKI-UHFFFAOYSA-N 0 1 308.407 0.748 20 30 DCEDMN CN1CCCC[C@H]1C(=O)NCCCNc1cncc(C#N)n1 ZINC001094725230 769228966 /nfs/dbraw/zinc/22/89/66/769228966.db2.gz OQENJQLYZUBKEF-ZDUSSCGKSA-N 0 1 302.382 0.751 20 30 DCEDMN C#CCN1CCC(CCOC)(NC(=O)COCCOC)CC1 ZINC001151027199 769240393 /nfs/dbraw/zinc/24/03/93/769240393.db2.gz RDKJWWZNWQZAQT-UHFFFAOYSA-N 0 1 312.410 0.270 20 30 DCEDMN CC#CCN1CCC(CCOC)(NC(=O)[C@H](C)NC(N)=O)CC1 ZINC001151091210 769258673 /nfs/dbraw/zinc/25/86/73/769258673.db2.gz SCLYQXTYOOUWPJ-ZDUSSCGKSA-N 0 1 324.425 0.054 20 30 DCEDMN C=CCNC(=O)[C@H](C)N(C)CCCNC(=O)c1cnc(C)cn1 ZINC001231411532 769262418 /nfs/dbraw/zinc/26/24/18/769262418.db2.gz QEYBRUPIRKBNNC-ZDUSSCGKSA-N 0 1 319.409 0.527 20 30 DCEDMN C#CCN1CCC(CCOC)(NC(=O)c2cn(C)c(=O)[nH]2)CC1 ZINC001151288442 769307713 /nfs/dbraw/zinc/30/77/13/769307713.db2.gz SKRRSMFLANCJAZ-UHFFFAOYSA-N 0 1 320.393 0.360 20 30 DCEDMN C#CCN1CCC(CCOC)(NC(=O)Cc2cncn2C)CC1 ZINC001151392971 769328939 /nfs/dbraw/zinc/32/89/39/769328939.db2.gz VOBPQEHHXTWMTP-UHFFFAOYSA-N 0 1 318.421 0.583 20 30 DCEDMN CS(=O)(=O)n1cc2c(n1)CN(Cc1cc(C#N)ccc1O)C2 ZINC001232678283 769330162 /nfs/dbraw/zinc/33/01/62/769330162.db2.gz SVUZCWMUXWRECI-UHFFFAOYSA-N 0 1 318.358 0.784 20 30 DCEDMN COCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2[O-])C1 ZINC001233388127 769364512 /nfs/dbraw/zinc/36/45/12/769364512.db2.gz MYDYWOMPKPUNNZ-CQSZACIVSA-N 0 1 303.362 0.991 20 30 DCEDMN N#Cc1cnccc1NCCCNC(=O)c1cncc2nc[nH]c21 ZINC001094849076 769394072 /nfs/dbraw/zinc/39/40/72/769394072.db2.gz BLHHPLYTAXWFBO-UHFFFAOYSA-N 0 1 321.344 0.878 20 30 DCEDMN C=CCOCCN1CC[C@H]1CN(C)C(=O)C[C@@H]1COC(=O)C1 ZINC001233653809 769418224 /nfs/dbraw/zinc/41/82/24/769418224.db2.gz NMLNLCMZEIOSPC-KBPBESRZSA-N 0 1 310.394 0.675 20 30 DCEDMN C=CCN(CC=C)C(=O)CN(C)CCCNC(=O)CSC ZINC001233666266 769422384 /nfs/dbraw/zinc/42/23/84/769422384.db2.gz TYPSIDQZMARWBR-UHFFFAOYSA-N 0 1 313.467 0.988 20 30 DCEDMN CN(C)CC#CCNC(=O)NC[C@@H]1Cc2ccccc2CO1 ZINC001233757063 769443739 /nfs/dbraw/zinc/44/37/39/769443739.db2.gz DXCDMOBZSOJTPQ-INIZCTEOSA-N 0 1 301.390 0.992 20 30 DCEDMN N#Cc1ccc([N+](=O)[O-])c(NCCCNC(=O)c2cnn[nH]2)c1 ZINC001094881769 769445354 /nfs/dbraw/zinc/44/53/54/769445354.db2.gz WXQVSOZAZYKCGC-UHFFFAOYSA-N 0 1 315.293 0.817 20 30 DCEDMN CCCCCCC[C@H](CC)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001172347345 769473026 /nfs/dbraw/zinc/47/30/26/769473026.db2.gz TYCGJYONJRVUMS-AALSBFMBSA-N 0 1 319.442 0.358 20 30 DCEDMN C#CCNC(=O)[C@H](C)N(C)CCCNC(=O)c1cc(Cl)c[nH]1 ZINC001233903768 769491489 /nfs/dbraw/zinc/49/14/89/769491489.db2.gz 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/nfs/dbraw/zinc/04/38/89/694043889.db2.gz PARBVPWOCMJZLP-KGLIPLIRSA-N 0 1 305.422 0.847 20 30 DCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1ncn[nH]1 ZINC000956234223 686657098 /nfs/dbraw/zinc/65/70/98/686657098.db2.gz JRVOIIIGYVWAHC-TUAOUCFPSA-N 0 1 319.365 0.117 20 30 DCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1CNC(=O)c1nc[nH]n1 ZINC000956234223 686657102 /nfs/dbraw/zinc/65/71/02/686657102.db2.gz JRVOIIIGYVWAHC-TUAOUCFPSA-N 0 1 319.365 0.117 20 30 DCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2cnn[nH]2)C1 ZINC000957187804 686991998 /nfs/dbraw/zinc/99/19/98/686991998.db2.gz RJWZELWUMGKOPY-GMXABZIVSA-N 0 1 319.365 0.117 20 30 DCEDMN C=CCCN1CCN(C(=O)c2ccc(=O)n(CCC)n2)CC1 ZINC000957617747 687087187 /nfs/dbraw/zinc/08/71/87/687087187.db2.gz DAKRERYWZNPDKI-UHFFFAOYSA-N 0 1 304.394 0.987 20 30 DCEDMN C=C(C)CCN1CCN(C(=O)c2cncc(C(N)=O)c2)CC1 ZINC000957685637 687163207 /nfs/dbraw/zinc/16/32/07/687163207.db2.gz NTFSCURJYODHKA-UHFFFAOYSA-N 0 1 302.378 0.905 20 30 DCEDMN COc1ccc(CN2C[C@@H](CNC(C)=O)[C@H](O)C2)cc1C#N ZINC000957780652 687183253 /nfs/dbraw/zinc/18/32/53/687183253.db2.gz VUYARDYDRSMQSD-HUUCEWRRSA-N 0 1 303.362 0.496 20 30 DCEDMN C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2[nH]nc(C)c2[O-])[C@H](O)C1 ZINC000957974704 687283426 /nfs/dbraw/zinc/28/34/26/687283426.db2.gz HURFUCFUTPBTPH-NXEZZACHSA-N 0 1 314.773 0.199 20 30 DCEDMN C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)c2[nH]nc(C)c2[O-])[C@H](O)C1 ZINC000957974704 687283428 /nfs/dbraw/zinc/28/34/28/687283428.db2.gz HURFUCFUTPBTPH-NXEZZACHSA-N 0 1 314.773 0.199 20 30 DCEDMN C#CCN1C[C@H](O)[C@H](CNC(=O)c2cn(C(C)(C)C)nc2C)C1 ZINC000958062225 687318010 /nfs/dbraw/zinc/31/80/10/687318010.db2.gz FIINVNMTNGNBNS-HIFRSBDPSA-N 0 1 318.421 0.602 20 30 DCEDMN CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2c(F)cncc2F)C1 ZINC000958101430 687346759 /nfs/dbraw/zinc/34/67/59/687346759.db2.gz QYUJYQACMWZABM-GXFFZTMASA-N 0 1 309.316 0.406 20 30 DCEDMN C#CCN1C[C@H](O)[C@@H](CNC(=O)c2ccn(CC(C)C)n2)C1 ZINC000958105170 687350564 /nfs/dbraw/zinc/35/05/64/687350564.db2.gz FFNMWBAQIHKERT-ZFWWWQNUSA-N 0 1 304.394 0.195 20 30 DCEDMN CC#CCN1C[C@H](O)[C@@H](CNC(=O)c2ncc(OC)cc2F)C1 ZINC000958127292 687368643 /nfs/dbraw/zinc/36/86/43/687368643.db2.gz WKBMFVSXELBBSC-FZMZJTMJSA-N 0 1 321.352 0.275 20 30 DCEDMN C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccccc2-c2cn[nH]c2)C1 ZINC000958130948 687370674 /nfs/dbraw/zinc/37/06/74/687370674.db2.gz LKFYXPJDVYMZCQ-WMLDXEAASA-N 0 1 324.384 0.732 20 30 DCEDMN C#CCN1C[C@H](O)[C@@H](CNC(=O)c2cncn2-c2ccccc2)C1 ZINC000958137857 687377024 /nfs/dbraw/zinc/37/70/24/687377024.db2.gz AMEWXMFPXGRDCA-YOEHRIQHSA-N 0 1 324.384 0.528 20 30 DCEDMN CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccn3c2CCCC3)C1 ZINC000958145016 687381329 /nfs/dbraw/zinc/38/13/29/687381329.db2.gz GBVLMTONABSOPR-WMLDXEAASA-N 0 1 315.417 0.870 20 30 DCEDMN C#CCN1C[C@@H](CNC(=O)c2cc(C3CC3)nn2CC)[C@H](O)C1 ZINC000958167574 687399935 /nfs/dbraw/zinc/39/99/35/687399935.db2.gz NTWGWAXCHYALNI-CZUORRHYSA-N 0 1 316.405 0.436 20 30 DCEDMN CC#CCN1C[C@H](O)[C@@H](CNC(=O)c2cnn(C)c2Cl)C1 ZINC000958187684 687418330 /nfs/dbraw/zinc/41/83/30/687418330.db2.gz URVQQRIMKUXNOI-JQWIXIFHSA-N 0 1 310.785 0.119 20 30 DCEDMN C#CCN1C[C@@H](CNC(=O)c2cn(C)nc2C2CCC2)[C@H](O)C1 ZINC000958190940 687421924 /nfs/dbraw/zinc/42/19/24/687421924.db2.gz PVDQYOVMGCAIEY-UKRRQHHQSA-N 0 1 316.405 0.343 20 30 DCEDMN CC#CCN1C[C@@H](CNC(=O)c2ncccc2CC)[C@H](O)C1 ZINC000958195092 687423357 /nfs/dbraw/zinc/42/33/57/687423357.db2.gz CUKYSJJPLALNEB-HUUCEWRRSA-N 0 1 301.390 0.690 20 30 DCEDMN CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnn(C(C)(C)C)c2)C1 ZINC000958199381 687428255 /nfs/dbraw/zinc/42/82/55/687428255.db2.gz IDQWNFYNHSWHRZ-DZGCQCFKSA-N 0 1 318.421 0.684 20 30 DCEDMN C#CCN1C[C@H](O)[C@H](CNC(=O)c2ncn3ccc(C)cc23)C1 ZINC000958199346 687428751 /nfs/dbraw/zinc/42/87/51/687428751.db2.gz HQANTTMNIUIXDS-HIFRSBDPSA-N 0 1 312.373 0.298 20 30 DCEDMN C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(C(C)C)nn2CC)C1 ZINC000958213911 687445244 /nfs/dbraw/zinc/44/52/44/687445244.db2.gz CDLQDBRSDSMFHT-XJKSGUPXSA-N 0 1 318.421 0.682 20 30 DCEDMN CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cc(COC)cs2)C1 ZINC000958222305 687454188 /nfs/dbraw/zinc/45/41/88/687454188.db2.gz BRTGAAYZAWIEMM-KGLIPLIRSA-N 0 1 322.430 0.940 20 30 DCEDMN C#CCN1C[C@@H](CNC(=O)c2cccc(C(C)C)n2)[C@H](O)C1 ZINC000958224581 687455652 /nfs/dbraw/zinc/45/56/52/687455652.db2.gz WZZOMNMNSAYCIQ-CZUORRHYSA-N 0 1 301.390 0.861 20 30 DCEDMN C#CCN1C[C@H](O)[C@@H](CNC(=O)c2ccc(C)c(OC)c2)C1 ZINC000958239499 687469027 /nfs/dbraw/zinc/46/90/27/687469027.db2.gz PUGGTBMZGBBORF-GJZGRUSLSA-N 0 1 302.374 0.659 20 30 DCEDMN CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(COC)o2)C1 ZINC000958244885 687474150 /nfs/dbraw/zinc/47/41/50/687474150.db2.gz YLWAIRLGFWTVJG-GXTWGEPZSA-N 0 1 306.362 0.472 20 30 DCEDMN CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2nncc3ccccc32)C1 ZINC000958255163 687482181 /nfs/dbraw/zinc/48/21/81/687482181.db2.gz VTEXHWADLVMFNK-GOEBONIOSA-N 0 1 324.384 0.676 20 30 DCEDMN CC#CCN1C[C@H](O)[C@H](CNC(=O)c2ncc3ccccn32)C1 ZINC000958257296 687484458 /nfs/dbraw/zinc/48/44/58/687484458.db2.gz FIYZSGHPYVBKIU-HIFRSBDPSA-N 0 1 312.373 0.380 20 30 DCEDMN CC#CCN1C[C@H](O)[C@@H](CNC(=O)c2cccc3nccn32)C1 ZINC000958259088 687488163 /nfs/dbraw/zinc/48/81/63/687488163.db2.gz YRFVNAQBQPOKSN-ZFWWWQNUSA-N 0 1 312.373 0.380 20 30 DCEDMN CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc(CC)nnc2C)C1 ZINC000958283103 687509788 /nfs/dbraw/zinc/50/97/88/687509788.db2.gz GZHMDYAKSDFFIW-XJKSGUPXSA-N 0 1 316.405 0.393 20 30 DCEDMN C#CCN1C[C@@H](CNC(=O)c2cc(Cl)c(Cl)[nH]2)[C@H](O)C1 ZINC000958288472 687514656 /nfs/dbraw/zinc/51/46/56/687514656.db2.gz NSALIUJPFRSUIZ-LDYMZIIASA-N 0 1 316.188 0.977 20 30 DCEDMN CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cnc3n2CCCC3)C1 ZINC000958345790 687566860 /nfs/dbraw/zinc/56/68/60/687566860.db2.gz SANPCOFQQZEOIL-HIFRSBDPSA-N 0 1 316.405 0.265 20 30 DCEDMN C#CCN1C[C@@H](CNC(=O)c2ccc3ncccc3c2)[C@H](O)C1 ZINC000958369394 687592507 /nfs/dbraw/zinc/59/25/07/687592507.db2.gz HBPOQUZPXALBAF-NVXWUHKLSA-N 0 1 309.369 0.891 20 30 DCEDMN CC#CCN1C[C@H](O)[C@H](CNC(=O)c2conc2C2CC2)C1 ZINC000958400452 687622383 /nfs/dbraw/zinc/62/23/83/687622383.db2.gz UYDGOGLFPQBACF-OCCSQVGLSA-N 0 1 303.362 0.598 20 30 DCEDMN CC#CCN1C[C@@H](CNC(=O)c2nccc3[nH]ccc32)[C@H](O)C1 ZINC000958408420 687629815 /nfs/dbraw/zinc/62/98/15/687629815.db2.gz JRVBUZZYVUZMMY-IUODEOHRSA-N 0 1 312.373 0.609 20 30 DCEDMN CC#CCN1C[C@H](O)[C@@H](CNC(=O)c2ccc3cnccc3n2)C1 ZINC000958434821 687654467 /nfs/dbraw/zinc/65/44/67/687654467.db2.gz KVKAGNNQEOQCKB-YOEHRIQHSA-N 0 1 324.384 0.676 20 30 DCEDMN C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cnc3ccccc3c2)C1 ZINC000958438481 687657993 /nfs/dbraw/zinc/65/79/93/687657993.db2.gz HMHARHQBROUDFH-DOTOQJQBSA-N 0 1 309.369 0.891 20 30 DCEDMN CC#CCN1C[C@@H](CNC(=O)c2cc(C(C)C)no2)[C@H](O)C1 ZINC000958457739 687675801 /nfs/dbraw/zinc/67/58/01/687675801.db2.gz GBZRVQAANXHSAI-TZMCWYRMSA-N 0 1 305.378 0.844 20 30 DCEDMN C#CCN1C[C@@H](CNC(=O)c2scnc2C2CC2)[C@H](O)C1 ZINC000958471863 687687380 /nfs/dbraw/zinc/68/73/80/687687380.db2.gz OXHSAPWZIVZHLU-VXGBXAGGSA-N 0 1 305.403 0.676 20 30 DCEDMN C#CCCN1CC[C@@H]1CNC(=O)[C@@H]1CCc2cnn(C)c2C1 ZINC001038628422 694137953 /nfs/dbraw/zinc/13/79/53/694137953.db2.gz BEUUZASFGGYSOR-UKRRQHHQSA-N 0 1 300.406 0.739 20 30 DCEDMN CC#CCN1C[C@@H](CNC(=O)c2snnc2C(C)C)[C@H](O)C1 ZINC000958514651 687721395 /nfs/dbraw/zinc/72/13/95/687721395.db2.gz CFNJUFZBHQCLKT-VXGBXAGGSA-N 0 1 322.434 0.707 20 30 DCEDMN C#CCN1C[C@H](O)[C@H](CNC(=O)c2cc(CC)c[nH]c2=O)C1 ZINC000958549392 687736002 /nfs/dbraw/zinc/73/60/02/687736002.db2.gz WSGNJCQRKRYNIU-OCCSQVGLSA-N 0 1 303.362 0.005 20 30 DCEDMN C#CCN1C[C@@H](CNC(=O)c2cnn(CC)c2C2CC2)[C@H](O)C1 ZINC000958572523 687759083 /nfs/dbraw/zinc/75/90/83/687759083.db2.gz BGSULGKCKCGASN-UKRRQHHQSA-N 0 1 316.405 0.436 20 30 DCEDMN C#CCN1C[C@H](O)[C@H](CNC(=O)c2cn(CCCC)nc2C)C1 ZINC000958578334 687765458 /nfs/dbraw/zinc/76/54/58/687765458.db2.gz SZVLMXMLHJCVGP-ZBFHGGJFSA-N 0 1 318.421 0.647 20 30 DCEDMN C#CCN1C[C@@H](CNC(=O)c2cnn(CCCC)c2C)[C@H](O)C1 ZINC000958581014 687769913 /nfs/dbraw/zinc/76/99/13/687769913.db2.gz MJENVLPZJUXGSA-GDBMZVCRSA-N 0 1 318.421 0.647 20 30 DCEDMN CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2cc3c([nH]2)CCC3)C1 ZINC000958583534 687772401 /nfs/dbraw/zinc/77/24/01/687772401.db2.gz IOHHWRHBKKZRLJ-XJKSGUPXSA-N 0 1 301.390 0.549 20 30 DCEDMN C#CCN1C[C@H](O)[C@@H](CNC(=O)c2ccnc(OC(C)C)c2)C1 ZINC000958585373 687774392 /nfs/dbraw/zinc/77/43/92/687774392.db2.gz XVISFRIWXDJRPX-GJZGRUSLSA-N 0 1 317.389 0.525 20 30 DCEDMN CC#CCN1C[C@H](O)[C@@H](CNC(=O)C2CC3(C2)CCOCC3)C1 ZINC000958587391 687775337 /nfs/dbraw/zinc/77/53/37/687775337.db2.gz INCNZKISSZDHQN-HOTGVXAUSA-N 0 1 320.433 0.625 20 30 DCEDMN C#CCN1C[C@H](O)[C@@H](CNC(=O)c2ccc3ccccc3n2)C1 ZINC000958610394 687793650 /nfs/dbraw/zinc/79/36/50/687793650.db2.gz SHDHJOSKBYJKDD-YOEHRIQHSA-N 0 1 309.369 0.891 20 30 DCEDMN C#CCN1C[C@H](O)[C@H](CNC(=O)c2cccc(OC)c2OC)C1 ZINC000958623754 687803588 /nfs/dbraw/zinc/80/35/88/687803588.db2.gz YSAAEXRPLRYWOE-OCCSQVGLSA-N 0 1 318.373 0.360 20 30 DCEDMN 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DCEDMN C[C@H](CCNC(=O)CN1CCCC1)NC(=O)c1ccc(C#N)[nH]1 ZINC001387468951 987852763 /nfs/dbraw/zinc/85/27/63/987852763.db2.gz VMKNOLAVUWCVBI-GFCCVEGCSA-N 0 1 317.393 0.607 20 30 DCEDMN CCN(CCNC(=O)CN1CCCC1)C(=O)c1ccc(C#N)[nH]1 ZINC001388273420 988181569 /nfs/dbraw/zinc/18/15/69/988181569.db2.gz FLINAOUSOXAGGO-UHFFFAOYSA-N 0 1 317.393 0.560 20 30 DCEDMN CC(C)C#CC(=O)N1CCC[C@@H](C)[C@H]1CNC(=O)c1cnn[nH]1 ZINC001532609486 1015369052 /nfs/dbraw/zinc/36/90/52/1015369052.db2.gz ARBZOXZSWWDYJS-TZMCWYRMSA-N 0 1 317.393 0.821 20 30 DCEDMN C=C(C)CCC(=O)N1CC[C@@H](CNC(=O)Cc2n[nH]c(C)n2)C1 ZINC001527178864 1015417283 /nfs/dbraw/zinc/41/72/83/1015417283.db2.gz WHSGLSHVYQHISF-ZDUSSCGKSA-N 0 1 319.409 0.977 20 30 DCEDMN CC(C)[C@@H](CNC(=O)Cc1cnc[nH]1)NC(=O)C#CC1CC1 ZINC001532856265 1015439882 /nfs/dbraw/zinc/43/98/82/1015439882.db2.gz KDUUPEBAYDACLU-CQSZACIVSA-N 0 1 302.378 0.623 20 30 DCEDMN C[C@H](C#N)C(=O)NC[C@@H](NCC(=O)Nc1nncs1)C1CC1 ZINC001389560503 989384521 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CC(C)[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)CCc1cnc[nH]1 ZINC001391676417 991081320 /nfs/dbraw/zinc/08/13/20/991081320.db2.gz OEGRGBUZIFPZEY-DGCLKSJQSA-N 0 1 305.382 0.759 20 30 DCEDMN C=C(Cl)CN[C@@H](CC)CNC(=O)[C@@H]1CCCN1C(N)=O ZINC001391761673 991164151 /nfs/dbraw/zinc/16/41/51/991164151.db2.gz XJFCODVHYXCWCX-QWRGUYRKSA-N 0 1 302.806 0.766 20 30 DCEDMN C[C@H](CNCc1csnn1)CNC(=O)c1ccc(C#N)[nH]1 ZINC001391901026 991278338 /nfs/dbraw/zinc/27/83/38/991278338.db2.gz YDSGCLHSWUOCQT-SECBINFHSA-N 0 1 304.379 0.894 20 30 DCEDMN C=C(Cl)CNC[C@@H](O)CNC(=O)c1cc(C(C)C)n(C)n1 ZINC001392374747 991838847 /nfs/dbraw/zinc/83/88/47/991838847.db2.gz KKEZDDOTFIAAKU-LLVKDONJSA-N 0 1 314.817 0.976 20 30 DCEDMN C=C(Cl)CNC[C@@H](O)CNC(=O)c1cnc2[nH]c(C)nc2c1 ZINC001392378889 991842907 /nfs/dbraw/zinc/84/29/07/991842907.db2.gz MEIQAJWSMXPZEQ-LLVKDONJSA-N 0 1 323.784 0.699 20 30 DCEDMN C=C(Cl)CNC[C@@H](O)CNC(=O)[C@@H]1CCc2cccnc21 ZINC001392393173 991862119 /nfs/dbraw/zinc/86/21/19/991862119.db2.gz NLVOVMBTKQDART-CHWSQXEVSA-N 0 1 309.797 0.931 20 30 DCEDMN C[C@@H]1C[C@H]1C(=O)NC[C@H](O)CNCc1cc(C#N)ccc1F ZINC001392401927 991876476 /nfs/dbraw/zinc/87/64/76/991876476.db2.gz SRZNUEXBIHFMFH-LERXQTSPSA-N 0 1 305.353 0.920 20 30 DCEDMN C=C(Cl)CNC[C@H](O)CNC(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001392416370 991901906 /nfs/dbraw/zinc/90/19/06/991901906.db2.gz AWRWQNAAZANQPS-PWSUYJOCSA-N 0 1 312.801 0.334 20 30 DCEDMN C[C@@H](CNCc1ccc(C#N)cc1F)NC(=O)[C@@H]1CCC(=O)N1 ZINC001392608252 992157013 /nfs/dbraw/zinc/15/70/13/992157013.db2.gz HRHHJJUOTWMXKA-HZMBPMFUSA-N 0 1 318.352 0.570 20 30 DCEDMN C[N@@H+](CCNS(=O)(=O)c1ccc(CC#N)cc1)CC(=O)[O-] ZINC001598493895 992338480 /nfs/dbraw/zinc/33/84/80/992338480.db2.gz GYKZBFFGURGXAO-UHFFFAOYSA-N 0 1 311.363 0.047 20 30 DCEDMN C[C@H](C#N)C(=O)NCC1(NCC(=O)NCc2cccs2)CC1 ZINC001392889369 992501689 /nfs/dbraw/zinc/50/16/89/992501689.db2.gz LLWRAJLNQYCGRQ-LLVKDONJSA-N 0 1 320.418 0.762 20 30 DCEDMN N#Cc1ccc(CNC2(CNC(=O)[C@H]3C[C@H]3C(N)=O)CC2)s1 ZINC001392933235 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N#Cc1ncc(NCC[NH+]2CCCCCC2)nc1-c1nn[n-]n1 ZINC001581884388 1165904926 /nfs/dbraw/zinc/90/49/26/1165904926.db2.gz XRQZHTQFVZDLAE-UHFFFAOYSA-N 0 1 313.369 0.816 20 30 DCEDMN C#CCOCCC(=O)N[C@H](C)CNC(=O)CN1CCC(C)(C)C1 ZINC001583714051 1166280554 /nfs/dbraw/zinc/28/05/54/1166280554.db2.gz KPVDEBQRBGPVRK-CQSZACIVSA-N 0 1 323.437 0.379 20 30 DCEDMN C=C[C@](C)(O)CC(=O)N1CC[C@H]1CNC(=O)c1[nH]ncc1F ZINC001584824445 1166371057 /nfs/dbraw/zinc/37/10/57/1166371057.db2.gz OAYUGYRJLHRORL-XPTSAGLGSA-N 0 1 310.329 0.207 20 30 DCEDMN C=C(C)C[C@H](C)C(=O)NC1(CNC(=O)Cc2nnc[nH]2)CC1 ZINC001585189324 1166410064 /nfs/dbraw/zinc/41/00/64/1166410064.db2.gz BLVXCKUKYZFIPX-NSHDSACASA-N 0 1 305.382 0.715 20 30 DCEDMN C#CC1(O)CCN(C(=O)c2ccc(Cc3nc[nH]n3)cc2)CC1 ZINC001585305019 1166416867 /nfs/dbraw/zinc/41/68/67/1166416867.db2.gz IAPNBUXINIILJP-UHFFFAOYSA-N 0 1 310.357 0.996 20 30 DCEDMN C=CCCOCC(=O)N1CC[C@](C)(CNC(=O)c2cnn[nH]2)C1 ZINC001586008617 1166474149 /nfs/dbraw/zinc/47/41/49/1166474149.db2.gz 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ZINC001602724852 1169173426 /nfs/dbraw/zinc/17/34/26/1169173426.db2.gz IQMRTAOBLJEZKC-MRXNPFEDSA-N 0 1 308.378 0.208 20 30 DCEDMN C=CCCC(=O)N(C)CCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001602824861 1169188699 /nfs/dbraw/zinc/18/86/99/1169188699.db2.gz QOLHFWKURNMKSZ-UHFFFAOYSA-N 0 1 315.381 0.829 20 30 DCEDMN C=CC[NH+]1CCC(NC(=O)c2coc(-c3nnn[n-]3)c2)CC1 ZINC001602862521 1169194315 /nfs/dbraw/zinc/19/43/15/1169194315.db2.gz JCNWIGHEIASDRW-UHFFFAOYSA-N 0 1 302.338 0.840 20 30 DCEDMN C=CC[NH+]1CCC(NC(=O)c2coc(-c3nn[n-]n3)c2)CC1 ZINC001602862521 1169194318 /nfs/dbraw/zinc/19/43/18/1169194318.db2.gz JCNWIGHEIASDRW-UHFFFAOYSA-N 0 1 302.338 0.840 20 30 DCEDMN CC[C@H]1CN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C[C@@H](C)O1 ZINC001604112703 1169495156 /nfs/dbraw/zinc/49/51/56/1169495156.db2.gz YWLWVMIVYVZJJP-BDAKNGLRSA-N 0 1 300.326 0.532 20 30 DCEDMN COC(=O)c1coc(Cn2c(C)nc(-c3nn[nH]n3)c2C#N)c1 ZINC001604990662 1169771443 /nfs/dbraw/zinc/77/14/43/1169771443.db2.gz XCZPLWDASCCZAL-UHFFFAOYSA-N 0 1 313.277 0.671 20 30 DCEDMN COC(=O)[C@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1C(=O)[O-] ZINC001606425137 1170195405 /nfs/dbraw/zinc/19/54/05/1170195405.db2.gz FERVVIORIBSISG-KGLIPLIRSA-N 0 1 305.305 0.983 20 30 DCEDMN Cc1nc(C(=O)N2CC[N@H+](C)C[C@@H](C(=O)[O-])C2)ccc1C#N ZINC001607944486 1170530481 /nfs/dbraw/zinc/53/04/81/1170530481.db2.gz VQPGAGHUKUIJPH-GFCCVEGCSA-N 0 1 302.334 0.350 20 30 DCEDMN N#CC1(C(=O)[O-])CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC001608172252 1170609448 /nfs/dbraw/zinc/60/94/48/1170609448.db2.gz WOSBHYOXLJCXPC-GFCCVEGCSA-N 0 1 320.393 0.871 20 30 DCEDMN N#Cc1c(C[N@H+]2C[C@H](CO)[C@@H](CCO)C2)cccc1C(=O)[O-] ZINC001608191926 1170613699 /nfs/dbraw/zinc/61/36/99/1170613699.db2.gz RCCKBYJOOUWGAG-WCQYABFASA-N 0 1 304.346 0.679 20 30 DCEDMN Cc1nc(-c2nn[nH]n2)c(N=NC(C)C[C@@H]2CCC(=O)N2)o1 ZINC001609110048 1170811996 /nfs/dbraw/zinc/81/19/96/1170811996.db2.gz IEWIUGZRVJFQDL-QMMMGPOBSA-N 0 1 304.314 0.620 20 30 DCEDMN C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001609226844 1170884023 /nfs/dbraw/zinc/88/40/23/1170884023.db2.gz XYKBMJRQMMMUQH-GFCCVEGCSA-N 0 1 321.381 0.648 20 30 DCEDMN C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001609226844 1170884032 /nfs/dbraw/zinc/88/40/32/1170884032.db2.gz XYKBMJRQMMMUQH-GFCCVEGCSA-N 0 1 321.381 0.648 20 30 DCEDMN N#Cc1c(-c2nn[nH]n2)nc(N)n1C[C@@H]1CC2(CCC2)C(=O)O1 ZINC001609496334 1170997721 /nfs/dbraw/zinc/99/77/21/1170997721.db2.gz FUBAZLVPWGXSRM-ZETCQYMHSA-N 0 1 314.309 0.003 20 30 DCEDMN CN1CCN(CC[N@H+](CC(=O)[O-])Cc2ccc(C#N)cc2)CC1 ZINC001610137133 1171172393 /nfs/dbraw/zinc/17/23/93/1171172393.db2.gz WPTCSGJCGARBLO-UHFFFAOYSA-N 0 1 316.405 0.692 20 30 DCEDMN CN1CCN(CC[N@@H+](CC(=O)[O-])Cc2ccc(C#N)cc2)CC1 ZINC001610137133 1171172395 /nfs/dbraw/zinc/17/23/95/1171172395.db2.gz WPTCSGJCGARBLO-UHFFFAOYSA-N 0 1 316.405 0.692 20 30 DCEDMN N#CCc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NCC(=O)[O-])cc1 ZINC001610624158 1171271336 /nfs/dbraw/zinc/27/13/36/1171271336.db2.gz FZYFQSJWUBYOSS-CQSZACIVSA-N 0 1 301.346 0.918 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C#CCOc1ccc(C(=O)NC[C@@H]2CCN2C[C@H](C)O)cc1 ZINC001038778828 694188524 /nfs/dbraw/zinc/18/85/24/694188524.db2.gz PDMCNECESCRNJN-ZFWWWQNUSA-N 0 1 302.374 0.884 20 30 DCEDMN CN(Cc1cccc(C#N)c1)C[C@H]1CCCN1C(=O)C(N)=O ZINC000960831470 688466880 /nfs/dbraw/zinc/46/68/80/688466880.db2.gz PVKKEJPNSAYYDD-CQSZACIVSA-N 0 1 300.362 0.466 20 30 DCEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc2n(n1)CCCO2 ZINC000961003081 688499122 /nfs/dbraw/zinc/49/91/22/688499122.db2.gz LJSWNLRHFZDKBC-JYAVWHMHSA-N 0 1 300.362 0.349 20 30 DCEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]nc1[C@H]1CCOC1 ZINC000961353009 688599424 /nfs/dbraw/zinc/59/94/24/688599424.db2.gz BBFLPFKLRPGHJE-MUYACECFSA-N 0 1 300.362 0.207 20 30 DCEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnoc1-c1cnn(C)c1 ZINC000961355363 688599444 /nfs/dbraw/zinc/59/94/44/688599444.db2.gz GHXMRJMQCJLGSQ-WDNDVIMCSA-N 0 1 311.345 0.368 20 30 DCEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccnc1-n1cccn1 ZINC000961424734 688614799 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303.406 0.315 20 30 DCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NC1CC(CNCc2nncn2C)C1 ZINC000962321366 688883245 /nfs/dbraw/zinc/88/32/45/688883245.db2.gz LMQDLMOKSCQDOI-PQAZSJQKSA-N 0 1 319.409 0.391 20 30 DCEDMN C#CCOc1ncccc1C(=O)NC[C@H]1CCN1[C@H](C)COC ZINC001038928106 694243422 /nfs/dbraw/zinc/24/34/22/694243422.db2.gz JICXFWMNDRLMQV-ZIAGYGMSSA-N 0 1 317.389 0.933 20 30 DCEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1c(=O)oc2ccccc21 ZINC000962517361 688930083 /nfs/dbraw/zinc/93/00/83/688930083.db2.gz HFOGAASZWDNMAH-ATCWAGBWSA-N 0 1 311.341 0.274 20 30 DCEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(C(=O)NC)c1 ZINC000962657728 688962805 /nfs/dbraw/zinc/96/28/05/688962805.db2.gz YFQKGFMBNDVHME-ZSHCYNCHSA-N 0 1 311.385 0.730 20 30 DCEDMN CC#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1noc2c1COCC2 ZINC000962681333 688965675 /nfs/dbraw/zinc/96/56/75/688965675.db2.gz MNOLDCBPVOIKNS-YABSGUDNSA-N 0 1 301.346 0.431 20 30 DCEDMN C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(N(C)C(C)=O)cc1 ZINC000962932747 688997254 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/nfs/dbraw/zinc/44/71/91/960447191.db2.gz VHUIROBYSAAHGL-UHFFFAOYSA-N 0 1 315.337 0.656 20 30 DCEDMN N#Cc1c(F)cc(C(=O)N2CCOC[C@@H]2c2nn[nH]n2)cc1F ZINC001363205363 960601584 /nfs/dbraw/zinc/60/15/84/960601584.db2.gz SBYXDPRLERKBLR-LLVKDONJSA-N 0 1 320.259 0.563 20 30 DCEDMN C=C(Cl)CN1CCC[C@@](CO)(NC(=O)c2[nH]ncc2F)C1 ZINC001447022725 1013205156 /nfs/dbraw/zinc/20/51/56/1013205156.db2.gz SBDQRBHKPANIPB-CYBMUJFWSA-N 0 1 316.764 0.858 20 30 DCEDMN C[C@@H](C#N)C(=O)NC[C@H]1CCN1C(=O)C(C)(C)c1c[nH]cn1 ZINC001378516231 960914280 /nfs/dbraw/zinc/91/42/80/960914280.db2.gz NVMODHFYBSNRRX-WDEREUQCSA-N 0 1 303.366 0.564 20 30 DCEDMN N#Cc1ccc(CN2CC(CNC(=O)Cn3cncn3)C2)cc1 ZINC001378016524 961189870 /nfs/dbraw/zinc/18/98/70/961189870.db2.gz SAFZOGXYJSNFNW-UHFFFAOYSA-N 0 1 310.361 0.398 20 30 DCEDMN N#CC1(CC(=O)NCc2n[nH]c([C@@H]3CCCO3)n2)CCOCC1 ZINC001363464181 961208163 /nfs/dbraw/zinc/20/81/63/961208163.db2.gz QWIIHSABAYFALD-NSHDSACASA-N 0 1 319.365 0.983 20 30 DCEDMN N#CC[C@@]1(O)CCN(C(=O)c2ccc(Cc3nc[nH]n3)cc2)C1 ZINC001363521147 961350770 /nfs/dbraw/zinc/35/07/70/961350770.db2.gz MSFZWXLYMHDHEU-MRXNPFEDSA-N 0 1 311.345 0.886 20 30 DCEDMN CNC(=O)c1ccc(CN2CC[C@@H](NC(=O)[C@H](C)C#N)C2)cc1 ZINC001378105339 961435979 /nfs/dbraw/zinc/43/59/79/961435979.db2.gz YPVPKLBAHMYMJB-IUODEOHRSA-N 0 1 314.389 0.896 20 30 DCEDMN N#Cc1cc(Br)cnc1NCc1n[nH]c(CO)n1 ZINC001363722650 961762065 /nfs/dbraw/zinc/76/20/65/961762065.db2.gz FOOYNURSKMXNSD-UHFFFAOYSA-N 0 1 309.127 0.938 20 30 DCEDMN N#Cc1cc(Br)cnc1NCc1nnc(CO)[nH]1 ZINC001363722650 961762084 /nfs/dbraw/zinc/76/20/84/961762084.db2.gz FOOYNURSKMXNSD-UHFFFAOYSA-N 0 1 309.127 0.938 20 30 DCEDMN C[C@H](C#N)C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH]cnc32)C1 ZINC001430245557 1013283759 /nfs/dbraw/zinc/28/37/59/1013283759.db2.gz JOZHPEDSSPFJDD-WISYIIOYSA-N 0 1 315.377 0.753 20 30 DCEDMN C=C(Br)CN(C)C[C@H](C)NC(=O)c1cnn[nH]1 ZINC001379714144 961839256 /nfs/dbraw/zinc/83/92/56/961839256.db2.gz WYGTZMNNTAGXGS-QMMMGPOBSA-N 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/nfs/dbraw/zinc/23/45/15/962234515.db2.gz BBVINAAGPCYYPJ-CYBMUJFWSA-N 0 1 317.324 0.301 20 30 DCEDMN N#Cc1ccccc1CNC[C@@H](O)CNC(=O)[C@@H]1CCCCO1 ZINC001379192121 962317617 /nfs/dbraw/zinc/31/76/17/962317617.db2.gz VGXGBRUYWNQWEM-CVEARBPZSA-N 0 1 317.389 0.694 20 30 DCEDMN C[C@@H](C#N)C(=O)N1CC[C@@](C)(CNC(=O)C2=NC(=O)N(C)C2)C1 ZINC001379935516 962336909 /nfs/dbraw/zinc/33/69/09/962336909.db2.gz GGEBEXVNULFKQH-BONVTDFDSA-N 0 1 319.365 0.254 20 30 DCEDMN C=C(Cl)CNC[C@@H](O)CNC(=O)c1cc(N(C)C)ccn1 ZINC001379290745 962551021 /nfs/dbraw/zinc/55/10/21/962551021.db2.gz KNOKNCDXESSFLZ-GFCCVEGCSA-N 0 1 312.801 0.580 20 30 DCEDMN C[C@H](C#N)C(=O)N1CC(CNC(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001430390208 1013426580 /nfs/dbraw/zinc/42/65/80/1013426580.db2.gz PCQMDMAOYABNBY-GHMZBOCLSA-N 0 1 303.366 0.323 20 30 DCEDMN C[C@@H](C#N)C(=O)N[C@H]1C[C@H](CNCc2nnc3n2CCCC3)C1 ZINC001369167879 964478228 /nfs/dbraw/zinc/47/82/28/964478228.db2.gz IFTMXBWLLBICSQ-AVGNSLFASA-N 0 1 316.409 0.758 20 30 DCEDMN CC(=O)NCC(=O)N1C[C@H](NCc2ccccc2C#N)C[C@@H]1C ZINC001369389034 964875639 /nfs/dbraw/zinc/87/56/39/964875639.db2.gz QEEVVRAZMAEIGU-BLLLJJGKSA-N 0 1 314.389 0.773 20 30 DCEDMN CO[C@H](C)C(=O)N(C)C[C@H](O)CNCc1ccc(C#N)cc1F ZINC001369457739 965013090 /nfs/dbraw/zinc/01/30/90/965013090.db2.gz TYUCYXNTRWHUPG-BXUZGUMPSA-N 0 1 323.368 0.641 20 30 DCEDMN C=C(Cl)CNC[C@@H](O)CN(C)C(=O)c1cc(C)nnc1C ZINC001369463257 965023064 /nfs/dbraw/zinc/02/30/64/965023064.db2.gz MUVHDGNRWDUNPZ-GFCCVEGCSA-N 0 1 312.801 0.868 20 30 DCEDMN C=C(Cl)CNC[C@H](O)CN(C)C(=O)c1cc(Cl)n(C)n1 ZINC001369465981 965028894 /nfs/dbraw/zinc/02/88/94/965028894.db2.gz IJASWSMPHPLGGT-VIFPVBQESA-N 0 1 321.208 0.849 20 30 DCEDMN COCCC(=O)NC[C@@]1(O)CCN(Cc2ccc(C#N)cc2)C1 ZINC001375995959 965054655 /nfs/dbraw/zinc/05/46/55/965054655.db2.gz HGTTXJNJHDNWIM-KRWDZBQOSA-N 0 1 317.389 0.648 20 30 DCEDMN C=C(Cl)CN1CCO[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001374147936 965069984 /nfs/dbraw/zinc/06/99/84/965069984.db2.gz XGNJCMNBLJRXCU-OCCSQVGLSA-N 0 1 315.845 0.898 20 30 DCEDMN Cc1n[nH]c(C)c1NC(=O)CNC[C@H](C)N(C)C(=O)[C@@H](C)C#N ZINC001374209402 965136014 /nfs/dbraw/zinc/13/60/14/965136014.db2.gz XUILTBDXMMOOID-UWVGGRQHSA-N 0 1 320.397 0.561 20 30 DCEDMN Cc1cc(NC(=O)CNC[C@@H](C)N(C)C(=O)[C@H](C)C#N)n(C)n1 ZINC001374209192 965136498 /nfs/dbraw/zinc/13/64/98/965136498.db2.gz WNHFUUKGYRIRPB-ZYHUDNBSSA-N 0 1 320.397 0.263 20 30 DCEDMN CC(=O)NCC(=O)N[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001376109463 965204398 /nfs/dbraw/zinc/20/43/98/965204398.db2.gz LXZLTICQCIKRQT-HNNXBMFYSA-N 0 1 300.362 0.385 20 30 DCEDMN Cc1ncc(C(=O)N2CC[C@H](CN(C)C(=O)[C@H](C)C#N)C2)[nH]1 ZINC001374462501 965415240 /nfs/dbraw/zinc/41/52/40/965415240.db2.gz YTXLLTHYAZLDHF-ZYHUDNBSSA-N 0 1 303.366 0.798 20 30 DCEDMN CC(=O)N[C@@H](C)C(=O)N1CC[C@H](NCc2ccccc2C#N)C1 ZINC001376304536 965500828 /nfs/dbraw/zinc/50/08/28/965500828.db2.gz IUJVHHBQHHVATL-LRDDRELGSA-N 0 1 314.389 0.773 20 30 DCEDMN C[C@H](C#N)C(=O)NC[C@@H](C)N(C)C(=O)c1cccc2nn[nH]c21 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20 30 DCEDMN C[C@@H](C#N)C(=O)NC[C@@H]1C[C@H](NC(=O)CN2CCC(C)CC2)C1 ZINC001371708569 967262862 /nfs/dbraw/zinc/26/28/62/967262862.db2.gz WUMQMQIWCBIJJU-SOUVJXGZSA-N 0 1 320.437 0.889 20 30 DCEDMN C=C(Cl)CNC[C@H](O)CN(C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC001382407294 967337498 /nfs/dbraw/zinc/33/74/98/967337498.db2.gz LNKYHOOBVXUHJO-XDQVBPFNSA-N 0 1 316.829 0.963 20 30 DCEDMN C=C(Cl)CNC[C@H](O)CN(C)C(=O)Cn1cc(Cl)cn1 ZINC001382418316 967349259 /nfs/dbraw/zinc/34/92/59/967349259.db2.gz ASBLXWAIAXVYIP-NSHDSACASA-N 0 1 321.208 0.698 20 30 DCEDMN C=C(Cl)CNC[C@@H](NC(=O)[C@@H]1CN(C)C(=O)N1)C(C)(C)C ZINC001382523911 967467307 /nfs/dbraw/zinc/46/73/07/967467307.db2.gz NVFTVGPKEKUWKU-WDEREUQCSA-N 0 1 316.833 0.883 20 30 DCEDMN C[C@H](C#N)C(=O)NCc1ccc(CNCC(=O)N(C)C)cc1F ZINC001382596750 967529789 /nfs/dbraw/zinc/52/97/89/967529789.db2.gz DTXKNUJMPLXOCX-LLVKDONJSA-N 0 1 320.368 0.779 20 30 DCEDMN Cc1nc(C)n(CCN2CCC[C@@H]2CNC(=O)[C@H](C)C#N)n1 ZINC001372518881 968077473 /nfs/dbraw/zinc/07/74/73/968077473.db2.gz TZXINZRDXNLARR-BXUZGUMPSA-N 0 1 304.398 0.635 20 30 DCEDMN C[C@H](C#N)C(=O)N[C@@H]1C[C@@H](NC(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001372560925 968123366 /nfs/dbraw/zinc/12/33/66/968123366.db2.gz ZNOLWZSZEMIDQT-USZNOCQGSA-N 0 1 303.366 0.511 20 30 DCEDMN C[C@@H](C#N)C(=O)N1CCC[C@@H]1CNC(=O)CN1CCC(C)CC1 ZINC001430935028 1013800695 /nfs/dbraw/zinc/80/06/95/1013800695.db2.gz MLHVVTXJEVQSOV-LSDHHAIUSA-N 0 1 320.437 0.985 20 30 DCEDMN C[C@@H](C#N)C(=O)NCC1CN(Cc2n[nH]c(C(C)(C)C)n2)C1 ZINC001373503356 969164635 /nfs/dbraw/zinc/16/46/35/969164635.db2.gz OFIZGHCSXAHKON-JTQLQIEISA-N 0 1 304.398 0.810 20 30 DCEDMN C=C(Cl)CN1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3COC(=O)C3)[C@@H]2C1 ZINC001448425830 1013907660 /nfs/dbraw/zinc/90/76/60/1013907660.db2.gz SJRWPVCCHXGASM-ZDEQEGDKSA-N 0 1 312.797 0.986 20 30 DCEDMN C[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC001610090558 970662537 /nfs/dbraw/zinc/66/25/37/970662537.db2.gz JDTPBBVKHIKMLP-IAQYHMDHSA-N 0 1 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YVFMHDRFWIZCLR-ZIAGYGMSSA-N 0 1 305.378 0.959 20 30 DCEDMN C=C[C@@](C)(O)CC(=O)N1CCC[C@@H](N(C)Cc2n[nH]c(C)n2)C1 ZINC001731712158 1185452324 /nfs/dbraw/zinc/45/23/24/1185452324.db2.gz AXBYJYACXYPKEW-CZUORRHYSA-N 0 1 321.425 0.863 20 30 DCEDMN C=CC(C)(C)CC(=O)NCC[C@H](C)[NH2+]Cc1nc(=O)n(C)[n-]1 ZINC001731728147 1185460255 /nfs/dbraw/zinc/46/02/55/1185460255.db2.gz OLAHCYDGXJYFOF-NSHDSACASA-N 0 1 309.414 0.695 20 30 DCEDMN N#CCNC(=O)CN1CCC[C@@H]1CCCNC(=O)c1cn[nH]c1 ZINC001731742596 1185465083 /nfs/dbraw/zinc/46/50/83/1185465083.db2.gz MDQRHYKHYKOFOX-ZDUSSCGKSA-N 0 1 318.381 0.024 20 30 DCEDMN C=C(C)CCN(C)CCNC(=O)C1(S(C)(=O)=O)CCC1 ZINC001731791250 1185489133 /nfs/dbraw/zinc/48/91/33/1185489133.db2.gz ZUFUFAFUWPPHIS-UHFFFAOYSA-N 0 1 302.440 0.968 20 30 DCEDMN COCC#CCN(C)CCNC(=O)c1ccc2nnn(C)c2c1 ZINC001731792162 1185489961 /nfs/dbraw/zinc/48/99/61/1185489961.db2.gz XTNBUNYUSGCLRY-UHFFFAOYSA-N 0 1 315.377 0.280 20 30 DCEDMN CCN(CC#CCOC)CCNC(=O)[C@H]1CCn2ccnc2C1 ZINC001731805443 1185495851 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CN(CCNCC#Cc1ccccc1)C(=O)C[C@@H]1CCNC1=O ZINC001731918488 1185573667 /nfs/dbraw/zinc/57/36/67/1185573667.db2.gz PFOBFNVLLCGBKH-INIZCTEOSA-N 0 1 313.401 0.612 20 30 DCEDMN C=C[C@H](CC)CC(=O)NCC[C@H]1CCN(CC(=O)NC(N)=O)C1 ZINC001732051832 1185648916 /nfs/dbraw/zinc/64/89/16/1185648916.db2.gz BVWCNBXSOHQIIF-OLZOCXBDSA-N 0 1 324.425 0.612 20 30 DCEDMN C#CCCN1CCN(CCN(C)C(=O)[C@@H]2CCO[C@H]2CC)CC1 ZINC001732063553 1185653928 /nfs/dbraw/zinc/65/39/28/1185653928.db2.gz NMOVYEPQCWNXNM-SJORKVTESA-N 0 1 321.465 0.901 20 30 DCEDMN Cc1ocnc1C(=O)N1CC[C@@H](CN(C)CC(=O)NCC#N)C1 ZINC001732067269 1185656067 /nfs/dbraw/zinc/65/60/67/1185656067.db2.gz QEXNEDCGHLNNIO-LBPRGKRZSA-N 0 1 319.365 0.017 20 30 DCEDMN N#Cc1ccc(C(=O)NCC2CN(CCOCC3CC3)C2)[nH]1 ZINC001732124534 1185684751 /nfs/dbraw/zinc/68/47/51/1185684751.db2.gz ZJBNIJZRUFTFOZ-UHFFFAOYSA-N 0 1 302.378 0.975 20 30 DCEDMN C=CCOCCN1CC(CNC(=O)c2ccc(C(N)=O)cn2)C1 ZINC001732139652 1185694823 /nfs/dbraw/zinc/69/48/23/1185694823.db2.gz 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1185820429 /nfs/dbraw/zinc/82/04/29/1185820429.db2.gz WJMLNMUPASEFGK-LBPRGKRZSA-N 0 1 317.397 0.448 20 30 DCEDMN COCC#CCN(C)CCN(C)C(=O)c1n[nH]c2c1CCC2 ZINC001732585778 1185861191 /nfs/dbraw/zinc/86/11/91/1185861191.db2.gz BPCNIHSPQKFQMF-UHFFFAOYSA-N 0 1 304.394 0.552 20 30 DCEDMN COCC#CCN(C)CCN(C)C(=O)[C@@H]1Cc2cccnc2C1 ZINC001732597179 1185867193 /nfs/dbraw/zinc/86/71/93/1185867193.db2.gz BUZUELFGMMEFAG-MRXNPFEDSA-N 0 1 315.417 0.836 20 30 DCEDMN C#CCNC(=O)CN1CC[C@@H]2CN(C(=O)C3(C)CC3)CC[C@H]21 ZINC001732604721 1185871698 /nfs/dbraw/zinc/87/16/98/1185871698.db2.gz CPZYAUNKEXWLQB-ZIAGYGMSSA-N 0 1 303.406 0.459 20 30 DCEDMN CCc1noc(C)c1CNC[C@H](O)CNC(=O)C#CC(C)C ZINC001732640096 1185887541 /nfs/dbraw/zinc/88/75/41/1185887541.db2.gz JHYKOBIITIEALJ-ZDUSSCGKSA-N 0 1 307.394 0.772 20 30 DCEDMN C#Cc1ccc(C(=O)NC[C@@H](O)CNCc2ocnc2C)cn1 ZINC001732660688 1185904224 /nfs/dbraw/zinc/90/42/24/1185904224.db2.gz HWXRGAFOJGPBDA-AWEZNQCLSA-N 0 1 314.345 0.240 20 30 DCEDMN O=C(NC/C=C\CNCC#Cc1ccccc1)[C@H]1CCC(=O)N1 ZINC001732835632 1185998274 /nfs/dbraw/zinc/99/82/74/1185998274.db2.gz OFSDXIRWYBPKGK-YIEVGGLXSA-N 0 1 311.385 0.579 20 30 DCEDMN N#CCNC(=O)CNC/C=C/CNC(=O)C(F)=C1CCCC1 ZINC001732839004 1185999999 /nfs/dbraw/zinc/99/99/99/1185999999.db2.gz MQHKSVCIFPJOTK-ONEGZZNKSA-N 0 1 308.357 0.686 20 30 DCEDMN CCN(C)C(=O)CNC/C=C\CNC(=O)c1cc(C#N)c[nH]1 ZINC001732839143 1186002062 /nfs/dbraw/zinc/00/20/62/1186002062.db2.gz YJGPNTHSDJLDIS-PLNGDYQASA-N 0 1 303.366 0.240 20 30 DCEDMN C#Cc1cncc(C(=O)N[C@H](C)CNCc2cnnn2CC)c1 ZINC001732970577 1186086632 /nfs/dbraw/zinc/08/66/32/1186086632.db2.gz LZDMOFHWWCKAOP-GFCCVEGCSA-N 0 1 312.377 0.582 20 30 DCEDMN CC#CCCCC(=O)N[C@H](C)CN(C)[C@@H]1CCC(=O)NC1=O ZINC001733049607 1186117177 /nfs/dbraw/zinc/11/71/77/1186117177.db2.gz NKFSKHWVGUMYKL-CHWSQXEVSA-N 0 1 307.394 0.422 20 30 DCEDMN C#CCN(C)C[C@H](C)NC(=O)c1ccc(Cn2ccnn2)o1 ZINC001733046318 1186117958 /nfs/dbraw/zinc/11/79/58/1186117958.db2.gz DJJBZZPXQWXMTK-LBPRGKRZSA-N 0 1 301.350 0.603 20 30 DCEDMN CC#CCCCC(=O)N[C@H](C)CN(C)[C@H]1CCC(=O)NC1=O ZINC001733049608 1186118570 /nfs/dbraw/zinc/11/85/70/1186118570.db2.gz NKFSKHWVGUMYKL-OLZOCXBDSA-N 0 1 307.394 0.422 20 30 DCEDMN C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCCNCc1cnn(C)n1 ZINC001733129530 1186154214 /nfs/dbraw/zinc/15/42/14/1186154214.db2.gz WTPRXZNMIXIDEY-KGLIPLIRSA-N 0 1 307.398 0.344 20 30 DCEDMN C=C[C@@](C)(O)CC(=O)N[C@@H](CNCc1nccn1C)C1CC1 ZINC001733171067 1186167609 /nfs/dbraw/zinc/16/76/09/1186167609.db2.gz QSEKRSVFYKZJQP-XJKSGUPXSA-N 0 1 306.410 0.732 20 30 DCEDMN C=CCN1CC[C@H](NC2(CNC(=O)C3CCOCC3)CC2)C1=O ZINC001733235493 1186195496 /nfs/dbraw/zinc/19/54/96/1186195496.db2.gz JGDQGSYDZGKRGJ-AWEZNQCLSA-N 0 1 321.421 0.438 20 30 DCEDMN C#CCNC(=O)CNC1(CNC(=O)/C=C\c2ccco2)CC1 ZINC001733234924 1186195907 /nfs/dbraw/zinc/19/59/07/1186195907.db2.gz DZGXUMDJZUKPAE-WAYWQWQTSA-N 0 1 301.346 0.281 20 30 DCEDMN O=C(CCn1ccnn1)NCC1(NCC#Cc2ccccc2)CC1 ZINC001733244782 1186199517 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C=CCCOCC(=O)NC1(C)CCN([C@H]2CCN(C)C2=O)CC1 ZINC001733362217 1186240317 /nfs/dbraw/zinc/24/03/17/1186240317.db2.gz RNDLAQKIWYFSHG-AWEZNQCLSA-N 0 1 323.437 0.781 20 30 DCEDMN C#CCN(C(=O)[C@H]1CNC(=O)N1)C1CCN(C[C@H](F)CC)CC1 ZINC001733372756 1186245068 /nfs/dbraw/zinc/24/50/68/1186245068.db2.gz VAOIYYQEMVDUAK-TZMCWYRMSA-N 0 1 324.400 0.342 20 30 DCEDMN C=C[C@](C)(O)CC(=O)N1CC[C@@](C)(CNCc2cnn(C)n2)C1 ZINC001733431699 1186269929 /nfs/dbraw/zinc/26/99/29/1186269929.db2.gz XEBWRPVEZUKKJV-HOTGVXAUSA-N 0 1 321.425 0.470 20 30 DCEDMN C#CCN1CC[C@](O)(CNC(=O)c2cncn2-c2ccccc2)C1 ZINC001733483665 1186293002 /nfs/dbraw/zinc/29/30/02/1186293002.db2.gz VPOSHAYOULGDCF-SFHVURJKSA-N 0 1 324.384 0.672 20 30 DCEDMN C#CCN1CC[C@@](O)(CNC(=O)c2occ3c2CCOC3)C1 ZINC001733487601 1186296660 /nfs/dbraw/zinc/29/66/60/1186296660.db2.gz VNDKVCYUSNOBDH-MRXNPFEDSA-N 0 1 304.346 0.152 20 30 DCEDMN CC#CCN1CC[C@@](O)(CNC(=O)c2cnn(C(C)C)c2)C1 ZINC001733494457 1186303907 /nfs/dbraw/zinc/30/39/07/1186303907.db2.gz BPMZWHGXIDXIBH-MRXNPFEDSA-N 0 1 304.394 0.654 20 30 DCEDMN C[C@H](C#N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)N2CC(=O)NCC#N ZINC001733561332 1186332897 /nfs/dbraw/zinc/33/28/97/1186332897.db2.gz DACRLBABWGWOGM-YIYPIFLZSA-N 0 1 317.393 0.145 20 30 DCEDMN CC(C)CNC(=O)CN1C[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1 ZINC001733573936 1186337416 /nfs/dbraw/zinc/33/74/16/1186337416.db2.gz GZASLEURVVLQBZ-IYBDPMFKSA-N 0 1 317.433 0.562 20 30 DCEDMN CC[C@H](C)[C@H](C)C(=O)N1C[C@H]2CN(CC(=O)NCC#N)C[C@H]2C1 ZINC001733578293 1186339680 /nfs/dbraw/zinc/33/96/80/1186339680.db2.gz XOCYMHYYPUHPJA-ZQDZILKHSA-N 0 1 320.437 0.699 20 30 DCEDMN C[C@@H](C(=O)NCCN1CCC(NCC#N)CC1)C(C)(F)F ZINC001733580664 1186340783 /nfs/dbraw/zinc/34/07/83/1186340783.db2.gz IGKXYQUTFRCIQN-NSHDSACASA-N 0 1 302.369 0.971 20 30 DCEDMN COCC#CCN1C[C@@H]2CN(C(=O)c3cc(Cl)no3)C[C@@H]2C1 ZINC001733582081 1186341830 /nfs/dbraw/zinc/34/18/30/1186341830.db2.gz YNFKOOMFRVLGHI-TXEJJXNPSA-N 0 1 323.780 0.982 20 30 DCEDMN 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C=C(Cl)CN[C@H]1CN(C(=O)CNS(=O)(=O)CC)C[C@H]1C ZINC001368663181 960138206 /nfs/dbraw/zinc/13/82/06/960138206.db2.gz NJDCYAXLNABHFW-KOLCDFICSA-N 0 1 323.846 0.115 20 30 DCEDMN Cc1ncccc1CN1CCC(CO)(NC(=O)[C@@H](C)C#N)CC1 ZINC001368762782 960239224 /nfs/dbraw/zinc/23/92/24/960239224.db2.gz IMUTZLOBGYNSRG-ZDUSSCGKSA-N 0 1 316.405 0.993 20 30 DCEDMN CSCC[C@H](NC(=O)c1cc(C#N)[nH]c1C)c1nn[nH]n1 ZINC001363001397 960283461 /nfs/dbraw/zinc/28/34/61/960283461.db2.gz RLRZPORFNFKZOY-JTQLQIEISA-N 0 1 305.367 0.932 20 30 DCEDMN CN(C)CC#CCNC(=O)N1CCC2(CCNC(=O)O2)CC1 ZINC001313439058 960304041 /nfs/dbraw/zinc/30/40/41/960304041.db2.gz FEPQUDDATPGEAV-UHFFFAOYSA-N 0 1 308.382 0.226 20 30 DCEDMN C=CCNC(=O)CN(CCO)C1CCN(C(=O)CCC)CC1 ZINC001316810125 960342041 /nfs/dbraw/zinc/34/20/41/960342041.db2.gz OIUIPRZBFSGOBX-UHFFFAOYSA-N 0 1 311.426 0.374 20 30 DCEDMN CN(CCCNC(=O)[C@@H]1COC(=O)N1)Cc1ccc(C#N)s1 ZINC001316822780 960353986 /nfs/dbraw/zinc/35/39/86/960353986.db2.gz QPWPQTREIYSMSB-LBPRGKRZSA-N 0 1 322.390 0.666 20 30 DCEDMN CN(CCCNC(=O)C#CC1CC1)CC(=O)NCc1ccco1 ZINC001316823442 960355231 /nfs/dbraw/zinc/35/52/31/960355231.db2.gz KFCMURMDWVBMMI-UHFFFAOYSA-N 0 1 317.389 0.747 20 30 DCEDMN C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CCN1CCOCCO ZINC001316781129 960374252 /nfs/dbraw/zinc/37/42/52/960374252.db2.gz XRSIBPNVWTXEGJ-YPMHNXCESA-N 0 1 306.366 0.088 20 30 DCEDMN C=CCNC(=O)[C@@H](C)N(C)CCCNC(=O)c1nn(C)cc1C ZINC001316823110 960392856 /nfs/dbraw/zinc/39/28/56/960392856.db2.gz CIZLDAFTGQPUHX-CYBMUJFWSA-N 0 1 321.425 0.471 20 30 DCEDMN N#Cc1cccc(-c2n[nH]c(NC(=O)C[C@@H]3CCNC3=O)n2)c1 ZINC001363122512 960432441 /nfs/dbraw/zinc/43/24/41/960432441.db2.gz ADKKIMOEVSJJER-NSHDSACASA-N 0 1 310.317 0.808 20 30 DCEDMN C=C(Cl)CN[C@H](CC)CNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001378269148 960463154 /nfs/dbraw/zinc/46/31/54/960463154.db2.gz AYESAJQZWCVNQL-WDEREUQCSA-N 0 1 308.831 0.658 20 30 DCEDMN Cc1cc(C#N)c(=O)[n-]c1C(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC001363140992 960464553 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C=C(Cl)CNC[C@H](C)N(C)C(=O)Cn1ccc(=O)[nH]c1=O ZINC001378801427 961504271 /nfs/dbraw/zinc/50/42/71/961504271.db2.gz RNOYULNLNZSMTA-JTQLQIEISA-N 0 1 314.773 0.138 20 30 DCEDMN C[C@@H](C#N)C(=O)N[C@@H](CNC(=O)c1[nH]nc2c1CCC2)C1CC1 ZINC001447188060 1013300950 /nfs/dbraw/zinc/30/09/50/1013300950.db2.gz OMTMUWKBUALAGK-ZANVPECISA-N 0 1 315.377 0.683 20 30 DCEDMN C[C@H](CN(C)C(=O)c1ccc(C#N)[nH]1)NCc1ccn(C)n1 ZINC001379103973 962109393 /nfs/dbraw/zinc/10/93/93/962109393.db2.gz RGRNYSISLOXFQF-LLVKDONJSA-N 0 1 300.366 0.870 20 30 DCEDMN Cc1ncccc1CN(C)C[C@H](O)CN(C)C(=O)[C@@H](C)C#N ZINC001379909334 962268913 /nfs/dbraw/zinc/26/89/13/962268913.db2.gz LSLKYIXDKYCPKT-WFASDCNBSA-N 0 1 304.394 0.801 20 30 DCEDMN CN(C(=O)CCc1nc[nH]n1)C1CN(Cc2ccccc2C#N)C1 ZINC001380218881 962883885 /nfs/dbraw/zinc/88/38/85/962883885.db2.gz NKSJFXUGAPJXNV-UHFFFAOYSA-N 0 1 324.388 0.952 20 30 DCEDMN CC[N@@H+](CCC(=O)OC)Cc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC001364321838 962889578 /nfs/dbraw/zinc/88/95/78/962889578.db2.gz JGTKQWJIVVWVEG-UHFFFAOYSA-N 0 1 303.322 0.692 20 30 DCEDMN CCN1CC[C@@H]1CNC(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC001364339030 962919332 /nfs/dbraw/zinc/91/93/32/962919332.db2.gz WXBKMKHGVZFVIH-LLVKDONJSA-N 0 1 319.413 0.532 20 30 DCEDMN Cc1cc(C(=O)N2CCC(C)(NC(=O)[C@@H](C)C#N)CC2)n[nH]1 ZINC001379528624 963132507 /nfs/dbraw/zinc/13/25/07/963132507.db2.gz CJSVFJPISIYHCZ-JTQLQIEISA-N 0 1 303.366 0.989 20 30 DCEDMN C[C@@H](C#N)C(=O)NCC(C)(C)CN(C)C(=O)CCc1c[nH]nn1 ZINC001380585483 963394232 /nfs/dbraw/zinc/39/42/32/963394232.db2.gz OAIBKQZMOAGNFR-NSHDSACASA-N 0 1 320.397 0.498 20 30 DCEDMN C[C@@H](C#N)C(=O)NCC(C)(C)CN(C)C(=O)CCc1cnn[nH]1 ZINC001380585483 963394242 /nfs/dbraw/zinc/39/42/42/963394242.db2.gz OAIBKQZMOAGNFR-NSHDSACASA-N 0 1 320.397 0.498 20 30 DCEDMN C=C(Cl)CN[C@]1(CO)CCCN(C(=O)Cn2cccn2)C1 ZINC001381044987 963781089 /nfs/dbraw/zinc/78/10/89/963781089.db2.gz YJBLXMJTSFNWGI-CQSZACIVSA-N 0 1 312.801 0.579 20 30 DCEDMN C=C(Cl)CN[C@H]1CN(C(=O)CCS(C)(=O)=O)C[C@@H]1C ZINC001381098900 963812935 /nfs/dbraw/zinc/81/29/35/963812935.db2.gz PLXQEGBJXOGUCE-ONGXEEELSA-N 0 1 308.831 0.610 20 30 DCEDMN C[C@@H](NC(=O)CN1CCC(C)CC1)C1CN(C(=O)[C@@H](C)C#N)C1 ZINC001381232297 963910331 /nfs/dbraw/zinc/91/03/31/963910331.db2.gz ZGASJPVGBYEQNP-UONOGXRCSA-N 0 1 320.437 0.841 20 30 DCEDMN CC[C@H](C(N)=O)N(C)C[C@@H]1CCCN1C(=O)c1ccc(C#N)[nH]1 ZINC001381284782 963942301 /nfs/dbraw/zinc/94/23/01/963942301.db2.gz JQKUUSNCKOLSPK-GXTWGEPZSA-N 0 1 317.393 0.687 20 30 DCEDMN C=C(Cl)CN[C@@H](C)[C@H](C)NC(=O)c1cn(C)c(=O)n1C ZINC001368894976 964105854 /nfs/dbraw/zinc/10/58/54/964105854.db2.gz OENDMXOGTKVHAD-UWVGGRQHSA-N 0 1 300.790 0.573 20 30 DCEDMN C[C@@H](C#N)C(=O)NC[C@](C)(NC(=O)CN1CCCC1)C1CC1 ZINC001375364148 964309993 /nfs/dbraw/zinc/30/99/93/964309993.db2.gz NBIMVWANYUTHQB-LRDDRELGSA-N 0 1 306.410 0.643 20 30 DCEDMN C=C(Cl)CN1C[C@@H]2[C@@H](CNC(=O)[C@]3(C)CCC(=O)N3)[C@@H]2C1 ZINC001369141318 964451471 /nfs/dbraw/zinc/45/14/71/964451471.db2.gz NDKLQMRIBGHHKK-OHTBPHCPSA-N 0 1 311.813 0.702 20 30 DCEDMN N#Cc1cccc(CN[C@H](CO)CNC(=O)C[C@@H]2CCCO2)c1 ZINC001369312086 964708331 /nfs/dbraw/zinc/70/83/31/964708331.db2.gz VZBSERORABFILM-HOTGVXAUSA-N 0 1 317.389 0.694 20 30 DCEDMN N#Cc1ccc(CN[C@@H](CO)CNC(=O)C[C@H]2CCOC2)cc1 ZINC001369323133 964743310 /nfs/dbraw/zinc/74/33/10/964743310.db2.gz UAZNGITUVHOOKR-HZPDHXFCSA-N 0 1 317.389 0.552 20 30 DCEDMN CC(=O)NCC(=O)NCC1CC(NCc2ccccc2C#N)C1 ZINC001375709650 964746544 /nfs/dbraw/zinc/74/65/44/964746544.db2.gz YNROELJRHZADHV-UHFFFAOYSA-N 0 1 314.389 0.679 20 30 DCEDMN CCN(CCNC(=O)[C@@H](C)C#N)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001373936397 964797500 /nfs/dbraw/zinc/79/75/00/964797500.db2.gz DYGNHUKECQHQAV-QJPTWQEYSA-N 0 1 303.366 0.638 20 30 DCEDMN C=C(Cl)CNC[C@@H](O)CN(C)C(=O)c1cc(Cl)n(C)n1 ZINC001369465980 965027964 /nfs/dbraw/zinc/02/79/64/965027964.db2.gz IJASWSMPHPLGGT-SECBINFHSA-N 0 1 321.208 0.849 20 30 DCEDMN C=C(Cl)CNC[C@@H](O)CN(C)C(=O)C(C)(C)c1cnc[nH]1 ZINC001369482745 965053117 /nfs/dbraw/zinc/05/31/17/965053117.db2.gz 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C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CC#N)n2)[C@@H](C)CN1 ZINC000883607466 669714782 /nfs/dbraw/zinc/71/47/82/669714782.db2.gz VYDXFYJNLBMRAG-MNOVXSKESA-N 0 1 301.350 0.295 20 30 DCEDMN C#CC[N@@H+](C)CCCNC(=O)N1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000883667748 669729174 /nfs/dbraw/zinc/72/91/74/669729174.db2.gz DUJGEDXTOOMLGF-GASCZTMLSA-N 0 1 306.410 0.061 20 30 DCEDMN COCCNC(=O)C(C#N)C(=O)[C@H]1CC[C@H](C(=O)OC)CC1 ZINC000797942769 669981267 /nfs/dbraw/zinc/98/12/67/669981267.db2.gz IPMGADMCJJNJMD-SRVKXCTJSA-N 0 1 310.350 0.437 20 30 DCEDMN C[C@H]1C[C@@H](NC(=O)C(N)=O)CCN1Cc1ccc(F)c(C#N)c1 ZINC000947667985 669996164 /nfs/dbraw/zinc/99/61/64/669996164.db2.gz UYYQQVWSSWPOFR-GWCFXTLKSA-N 0 1 318.352 0.652 20 30 DCEDMN C#CCN1CC[C@H](NC(=O)c2cncc(C(N)=O)c2)C[C@@H]1C ZINC000948047986 670051436 /nfs/dbraw/zinc/05/14/36/670051436.db2.gz NKHNRIUMVRPINI-FZMZJTMJSA-N 0 1 300.362 0.396 20 30 DCEDMN Cc1n[nH]c(C(=O)NC2CCN(C(=O)[C@H](C)C#N)CC2)c1C ZINC000948096276 670060820 /nfs/dbraw/zinc/06/08/20/670060820.db2.gz IXIVANPCJLIIPR-SECBINFHSA-N 0 1 303.366 0.907 20 30 DCEDMN C#CCN1CCC(N(C)C(=O)c2noc3c2COCC3)CC1 ZINC001006429880 670081433 /nfs/dbraw/zinc/08/14/33/670081433.db2.gz DFZGHQFMCAOBNB-UHFFFAOYSA-N 0 1 303.362 0.917 20 30 DCEDMN C#CCN1CCC[C@H](N(C)C(=O)c2cn(C)ccc2=O)CC1 ZINC000948604356 670139227 /nfs/dbraw/zinc/13/92/27/670139227.db2.gz DOOYHNNXCUZPNC-AWEZNQCLSA-N 0 1 301.390 0.945 20 30 DCEDMN CCN(C1CCN(CCO[C@@H](C)C#N)CC1)S(C)(=O)=O ZINC000801932400 670146170 /nfs/dbraw/zinc/14/61/70/670146170.db2.gz LOOVQVIQBRGYOX-LBPRGKRZSA-N 0 1 303.428 0.661 20 30 DCEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)Cn3nccn3)CC[C@@H]21 ZINC001036728452 670164229 /nfs/dbraw/zinc/16/42/29/670164229.db2.gz VVYTZTOIVPRVJR-OLZOCXBDSA-N 0 1 309.801 0.953 20 30 DCEDMN C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]1CNC(=O)c1cnn[nH]1 ZINC000950998783 670171928 /nfs/dbraw/zinc/17/19/28/670171928.db2.gz WNRXVRGQIIBJJK-SECBINFHSA-N 0 1 311.773 0.914 20 30 DCEDMN C=C(Cl)CN1CC[C@@H]2CN(C(=O)CCn3cnnn3)CC[C@@H]21 ZINC001036852456 670221187 /nfs/dbraw/zinc/22/11/87/670221187.db2.gz DGXZTCWOULWGGT-OLZOCXBDSA-N 0 1 324.816 0.739 20 30 DCEDMN C#Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)c2[nH]nnc2C)cn1 ZINC000951386377 670260158 /nfs/dbraw/zinc/26/01/58/670260158.db2.gz ZZYZNVVWVKDNHL-CYBMUJFWSA-N 0 1 324.344 0.134 20 30 DCEDMN CN1CCC[C@@H]1C(=O)NC[C@@H]1CCN1C(=O)c1cc(C#N)c[nH]1 ZINC000949138317 670269071 /nfs/dbraw/zinc/26/90/71/670269071.db2.gz DMTVZYFCFXAKKU-GXTWGEPZSA-N 0 1 315.377 0.311 20 30 DCEDMN C#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)c3ncn[nH]3)C2)cn1 ZINC000951493439 670287051 /nfs/dbraw/zinc/28/70/51/670287051.db2.gz AEQUABGERXNQQV-CYBMUJFWSA-N 0 1 324.344 0.216 20 30 DCEDMN C#Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)c3nc[nH]n3)C2)cn1 ZINC000951493439 670287053 /nfs/dbraw/zinc/28/70/53/670287053.db2.gz AEQUABGERXNQQV-CYBMUJFWSA-N 0 1 324.344 0.216 20 30 DCEDMN C=CCN(C(=O)C(=O)NC[C@@H]1CCCN1CCOC)C(C)C ZINC000804353768 670291141 /nfs/dbraw/zinc/29/11/41/670291141.db2.gz 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/nfs/dbraw/zinc/24/88/97/670248897.db2.gz BTGHWHVRZCOQBW-OAHLLOKOSA-N 0 1 306.406 0.740 20 30 DCEDMN C#CCN1CCC2(CC1)CN(C(=O)CO[C@H]1CCOC1)CCO2 ZINC000949092261 670257525 /nfs/dbraw/zinc/25/75/25/670257525.db2.gz RJANDDHAVFHNDH-HNNXBMFYSA-N 0 1 322.405 0.119 20 30 DCEDMN C#CCN1CCC2(CC1)CN(C(=O)c1n[nH]cc1F)CCO2 ZINC000949179773 670281223 /nfs/dbraw/zinc/28/12/23/670281223.db2.gz NFJUBUFZBCGDOP-UHFFFAOYSA-N 0 1 306.341 0.489 20 30 DCEDMN C#CCN1CCC2(CC1)CN(C(=O)Cn1ccc(C)n1)CCO2 ZINC000949191087 670283755 /nfs/dbraw/zinc/28/37/55/670283755.db2.gz BZFGEMPFLDKFRK-UHFFFAOYSA-N 0 1 316.405 0.518 20 30 DCEDMN C#Cc1ccc(C(=O)N2CCC[C@H](NC(=O)c3cnn[nH]3)C2)cn1 ZINC000951493712 670287039 /nfs/dbraw/zinc/28/70/39/670287039.db2.gz CZTIQYXGSQGNAO-ZDUSSCGKSA-N 0 1 324.344 0.216 20 30 DCEDMN C#CCN1CCC2(CC1)CN(C(=O)c1cccnn1)CCO2 ZINC000949212941 670288815 /nfs/dbraw/zinc/28/88/15/670288815.db2.gz VIVCKARFPSYAMY-UHFFFAOYSA-N 0 1 300.362 0.417 20 30 DCEDMN C#CCN1CCC2(CC1)CN(C(=O)[C@H]1C[C@]13CCOC3)CCO2 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C=C(C)CCC(=O)NC[C@H]1C[C@@H](NC(=O)Cc2nnc[nH]2)C1 ZINC001489823361 950128670 /nfs/dbraw/zinc/12/86/70/950128670.db2.gz YWOWXAXCDZOHSG-TXEJJXNPSA-N 0 1 305.382 0.715 20 30 DCEDMN CC(C)(C)C#CC(=O)N[C@H]1C[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001489839017 950145181 /nfs/dbraw/zinc/14/51/81/950145181.db2.gz FJBRATJUENEAAL-PHIMTYICSA-N 0 1 303.366 0.479 20 30 DCEDMN CC(C)(C)C#CC(=O)N[C@H]1C[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001489839017 950145194 /nfs/dbraw/zinc/14/51/94/950145194.db2.gz FJBRATJUENEAAL-PHIMTYICSA-N 0 1 303.366 0.479 20 30 DCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NCCCN(C)CC(=O)NC1CC1 ZINC001265925602 950153278 /nfs/dbraw/zinc/15/32/78/950153278.db2.gz UXTAGTBJOMJKDW-KGLIPLIRSA-N 0 1 309.410 0.294 20 30 DCEDMN CC(C)[C@@]1(C)C[C@H]1C(=O)NCCCN(C)CC(=O)NCC#N ZINC001265946480 950178495 /nfs/dbraw/zinc/17/84/95/950178495.db2.gz DETXWXZWKWYFCR-XJKSGUPXSA-N 0 1 308.426 0.746 20 30 DCEDMN C#CCNC(=O)[C@H](C)N1C[C@@H]2[C@@H](CNC(=O)CCCC)[C@@H]2C1 ZINC001330259113 950229453 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C=CCOCC(=O)N1CCC[C@@H](N(C)[C@@H](C)C(=O)NC2CC2)C1 ZINC001266094536 950353986 /nfs/dbraw/zinc/35/39/86/950353986.db2.gz VYNJZRRQJZUEAS-DZGCQCFKSA-N 0 1 323.437 0.779 20 30 DCEDMN C=CCN1CC[C@@H](N(C)CCCNC(=O)[C@H]2CCCCO2)C1=O ZINC001490178706 950371113 /nfs/dbraw/zinc/37/11/13/950371113.db2.gz DFSXJIRRFNSEEI-HUUCEWRRSA-N 0 1 323.437 0.781 20 30 DCEDMN C#CCNC(=O)[C@@H](C)N(C)CCCNC(=O)c1coc(CC)n1 ZINC001490182987 950382149 /nfs/dbraw/zinc/38/21/49/950382149.db2.gz CZVALJAFTWQDBX-GFCCVEGCSA-N 0 1 320.393 0.427 20 30 DCEDMN C#CCNC(=O)CN(C)CCCNC(=O)c1cc(OC)cs1 ZINC001490233798 950439226 /nfs/dbraw/zinc/43/92/26/950439226.db2.gz VMTCNWIOBREJLG-UHFFFAOYSA-N 0 1 323.418 0.558 20 30 DCEDMN C=CCCC(=O)N1CC2(C1)CCCN([C@@H]1CCC(=O)NC1=O)C2 ZINC001330488134 950450130 /nfs/dbraw/zinc/45/01/30/950450130.db2.gz LOQPNTJQHCZZFV-CYBMUJFWSA-N 0 1 319.405 0.682 20 30 DCEDMN COCC#CCN1CCC(N(C)C(=O)Cc2cncn2C)CC1 ZINC001266194983 950454898 /nfs/dbraw/zinc/45/48/98/950454898.db2.gz MKYFUYQRBCRYIV-UHFFFAOYSA-N 0 1 318.421 0.535 20 30 DCEDMN C=C[C@@H]1OCC[C@H]1C(=O)NCCCN(C)Cc1cncn1C ZINC001490251511 950465241 /nfs/dbraw/zinc/46/52/41/950465241.db2.gz LZVZTTSTWSMQFJ-CABCVRRESA-N 0 1 306.410 0.949 20 30 DCEDMN C#CCNC(=O)CN(C)CCCNC(=O)[C@H](F)c1ccccc1 ZINC001490255201 950469166 /nfs/dbraw/zinc/46/91/66/950469166.db2.gz IFKBWAQOYJJVRM-MRXNPFEDSA-N 0 1 319.380 0.885 20 30 DCEDMN CN(C(=O)Nc1nn[nH]c1C(=O)NC1CC1)[C@@H]1CCC[C@@H]1C#N ZINC001365089534 950495374 /nfs/dbraw/zinc/49/53/74/950495374.db2.gz GJHPECNIFDLQQX-PSASIEDQSA-N 0 1 317.353 0.853 20 30 DCEDMN C#CCNC(=O)CN1C[C@@H]2CN(C(=O)C3CCCC3)C[C@@H]2C1 ZINC001279327651 950540865 /nfs/dbraw/zinc/54/08/65/950540865.db2.gz MLVRYRBAFGCGGT-GASCZTMLSA-N 0 1 303.406 0.316 20 30 DCEDMN C=C(C)CN1CCC[C@](CO)(NC(=O)C[C@H]2CCCC(=O)N2)C1 ZINC001279500022 950600630 /nfs/dbraw/zinc/60/06/30/950600630.db2.gz OTDUKMSUTDCCJQ-PBHICJAKSA-N 0 1 323.437 0.564 20 30 DCEDMN C#CCNC(=O)CN(CCCNC(=O)[C@@H]1CC1(F)F)C1CC1 ZINC001490373156 950614679 /nfs/dbraw/zinc/61/46/79/950614679.db2.gz HZDXBAFCKDIJDB-LBPRGKRZSA-N 0 1 313.348 0.362 20 30 DCEDMN C[C@H](CNC(=O)Nc1nn(C)cc1C#N)N1CCN(C)CC1 ZINC001365161280 950638034 /nfs/dbraw/zinc/63/80/34/950638034.db2.gz MFRJZPBRMMCYND-LLVKDONJSA-N 0 1 305.386 0.049 20 30 DCEDMN CCCNC(=O)[C@H](C)N1CCC(N(C)C(=O)[C@@H](C)C#N)CC1 ZINC001490404225 950649183 /nfs/dbraw/zinc/64/91/83/950649183.db2.gz VEUOIAJJFWZXFR-STQMWFEESA-N 0 1 308.426 0.984 20 30 DCEDMN C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)C2=NC(=O)N(C)C2)C[C@H]1C ZINC001490358230 950654935 /nfs/dbraw/zinc/65/49/35/950654935.db2.gz QZBKYEHJBKLZIZ-GMTAPVOTSA-N 0 1 319.365 0.110 20 30 DCEDMN C#CCN1CC=C(CNC(=O)CCC(=O)N2CCOCC2)CC1 ZINC001279682306 950669566 /nfs/dbraw/zinc/66/95/66/950669566.db2.gz WYKPJDOMEBBTNA-UHFFFAOYSA-N 0 1 319.405 0.007 20 30 DCEDMN C#CCN1CCC(N(C)C(=O)COCc2nccn2C)CC1 ZINC001490411424 950679184 /nfs/dbraw/zinc/67/91/84/950679184.db2.gz USPSEKASHTVADI-UHFFFAOYSA-N 0 1 304.394 0.493 20 30 DCEDMN C=CCOCCN1CC[C@@H]1CN(C)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001316599270 950712408 /nfs/dbraw/zinc/71/24/08/950712408.db2.gz RULSESRYYHNARV-RHSMWYFYSA-N 0 1 323.437 0.638 20 30 DCEDMN C=C(C)CN1CCN(CCNC(=O)Cc2nnc(C)o2)CC1 ZINC001490491857 950741696 /nfs/dbraw/zinc/74/16/96/950741696.db2.gz WFLUZJNKOJKAQZ-UHFFFAOYSA-N 0 1 307.398 0.230 20 30 DCEDMN C=CCOCC(=O)N(C)C1CCC(NC(=O)c2cnn[nH]2)CC1 ZINC001280358710 950822545 /nfs/dbraw/zinc/82/25/45/950822545.db2.gz WLWHCCYNTOBLEG-UHFFFAOYSA-N 0 1 321.381 0.507 20 30 DCEDMN C#CCNC(=O)CN1CCC2(CN(C(=O)C(C)(F)F)C2)CC1 ZINC001280381485 950828414 /nfs/dbraw/zinc/82/84/14/950828414.db2.gz OLJFFAWDQBLOTH-UHFFFAOYSA-N 0 1 313.348 0.315 20 30 DCEDMN C#CCNC(=O)CN1CCC2(C[C@H]2NC(=O)[C@H]2CC2(C)C)CC1 ZINC001490594774 950916481 /nfs/dbraw/zinc/91/64/81/950916481.db2.gz VXKOPMVLIFNZQW-ZIAGYGMSSA-N 0 1 317.433 0.753 20 30 DCEDMN C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1[nH]nnc1C ZINC001490599806 950921142 /nfs/dbraw/zinc/92/11/42/950921142.db2.gz 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/nfs/dbraw/zinc/05/65/37/951056537.db2.gz UETCEQBNVXRNLY-UONOGXRCSA-N 0 1 319.405 0.422 20 30 DCEDMN C#CCNC(=O)CN1CCC[C@H](NC(=O)[C@@H](OC)C(C)C)CC1 ZINC001280756662 951071152 /nfs/dbraw/zinc/07/11/52/951071152.db2.gz LIFUDMJPYVJLTL-HOCLYGCPSA-N 0 1 323.437 0.378 20 30 DCEDMN C#CCNC(=O)CN(C)CCCN(C)C(=O)c1n[nH]c(C)c1C ZINC001280794383 951091101 /nfs/dbraw/zinc/09/11/01/951091101.db2.gz SASAKTQAEBHSBK-UHFFFAOYSA-N 0 1 319.409 0.170 20 30 DCEDMN CCN1C[C@H](NS(=O)(=O)c2cncc(C#N)c2)C(C)(C)C1 ZINC001365466203 951158715 /nfs/dbraw/zinc/15/87/15/951158715.db2.gz LQSKEQFPGHWMCY-ZDUSSCGKSA-N 0 1 308.407 0.962 20 30 DCEDMN C=CCO[C@H](C)C(=O)N[C@@H](C)CN(C)C(=O)Cc1ccn[nH]1 ZINC001280988548 951205554 /nfs/dbraw/zinc/20/55/54/951205554.db2.gz CEVSHEQFYZXQFK-NWDGAFQWSA-N 0 1 308.382 0.506 20 30 DCEDMN C=CCN1CC[C@@H](N[C@@H](CO)CNC(=O)c2occc2C)C1=O ZINC001331662593 951227623 /nfs/dbraw/zinc/22/76/23/951227623.db2.gz CNNWODDVOQFNKX-CHWSQXEVSA-N 0 1 321.377 0.055 20 30 DCEDMN C=C[C@@](C)(CCOC)C(=O)N(C)C[C@@H](C)NC(=O)c1cnn[nH]1 ZINC001281030185 951228670 /nfs/dbraw/zinc/22/86/70/951228670.db2.gz SPGZVJBSIHOUAA-ABAIWWIYSA-N 0 1 323.397 0.610 20 30 DCEDMN C=C[C@](C)(CC)C(=O)NC[C@H](CO)NC(=O)CN1CCCC1 ZINC001281115502 951298268 /nfs/dbraw/zinc/29/82/68/951298268.db2.gz XZVOFRCLJVLZGX-CZUORRHYSA-N 0 1 311.426 0.278 20 30 DCEDMN COCC#CCN[C@@H](CO)CNC(=O)c1scnc1C1CC1 ZINC001331805090 951329630 /nfs/dbraw/zinc/32/96/30/951329630.db2.gz QNHLRTXRSOJNIT-GFCCVEGCSA-N 0 1 323.418 0.351 20 30 DCEDMN CCN(CC)C(=O)CN1CC[C@@]2(CCN(CCC#N)C2)C1=O ZINC001274031685 951344552 /nfs/dbraw/zinc/34/45/52/951344552.db2.gz XLYBHTDPSYOLTG-MRXNPFEDSA-N 0 1 306.410 0.693 20 30 DCEDMN C#CCN1C[C@]2(CCN(Cc3cnn4ccccc34)C2)OCC1=O ZINC001274101153 951416294 /nfs/dbraw/zinc/41/62/94/951416294.db2.gz AVODAFJQTLYSOL-GOSISDBHSA-N 0 1 324.384 0.771 20 30 DCEDMN N#Cc1ccc(C(=O)N2CC3(C2)CCN(Cc2cn[nH]c2)C3)[nH]1 ZINC001274122383 951428342 /nfs/dbraw/zinc/42/83/42/951428342.db2.gz 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20 30 DCEDMN N#CCNC(=O)CNC/C=C/CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001274431314 951630772 /nfs/dbraw/zinc/63/07/72/951630772.db2.gz XLZXBOZPIZGTRF-OHVOQOPOSA-N 0 1 304.394 0.324 20 30 DCEDMN C#CCN1CC[C@H](NC(=O)CCN2C(=O)CCC2=O)C(C)(C)C1 ZINC001274446305 951636497 /nfs/dbraw/zinc/63/64/97/951636497.db2.gz OZSDNQLVZPNNRR-ZDUSSCGKSA-N 0 1 319.405 0.375 20 30 DCEDMN Cc1nc(C)c(CNC[C@@H](O)CN(C)C(=O)C#CC(C)C)o1 ZINC001332503625 951671748 /nfs/dbraw/zinc/67/17/48/951671748.db2.gz KBFZXBRKPSHZHZ-CQSZACIVSA-N 0 1 307.394 0.860 20 30 DCEDMN C#CCOC[C@H](O)C[N@@H+]1CCC[C@@]12CCN(CC(C)C)C2=O ZINC001274554128 951694477 /nfs/dbraw/zinc/69/44/77/951694477.db2.gz HLEQQVSUEIEPAK-WBVHZDCISA-N 0 1 308.422 0.720 20 30 DCEDMN COCC#CCN1CC[C@@H](NC(=O)c2cnn(C)c2)C[C@@H]1C ZINC001274596967 951725238 /nfs/dbraw/zinc/72/52/38/951725238.db2.gz LZBXPUJLWPSVKY-DZGCQCFKSA-N 0 1 304.394 0.653 20 30 DCEDMN C=CCNC(=O)CN1CC[C@@H](NC(=O)Cn2cccn2)C[C@@H]1C ZINC001274595745 951726605 /nfs/dbraw/zinc/72/66/05/951726605.db2.gz COTWPBXJJGTHGM-UONOGXRCSA-N 0 1 319.409 0.154 20 30 DCEDMN C=CCOC[C@@H](O)CN1CC[C@@H]2[C@H]1CCC(=O)N2[C@@H](C)C(C)=O ZINC001274605071 951731194 /nfs/dbraw/zinc/73/11/94/951731194.db2.gz GQCBVROHZQDPIS-ARLBYUKCSA-N 0 1 324.421 0.593 20 30 DCEDMN C=CCOC[C@H](O)C[N@H+]1CCC[C@@]12CCN(CC(F)F)C2=O ZINC001274607441 951735867 /nfs/dbraw/zinc/73/58/67/951735867.db2.gz CBYLQSQHEDIIHS-DOMZBBRYSA-N 0 1 318.364 0.882 20 30 DCEDMN C=CCOC[C@H](O)CN1CCC[C@@]12CCN(CC(F)F)C2=O ZINC001274607441 951735872 /nfs/dbraw/zinc/73/58/72/951735872.db2.gz CBYLQSQHEDIIHS-DOMZBBRYSA-N 0 1 318.364 0.882 20 30 DCEDMN CC#CCN(C)C[C@H](O)CN(C)C(=O)CCc1ccncc1 ZINC001332647363 951744212 /nfs/dbraw/zinc/74/42/12/951744212.db2.gz MKMGWSFIJUKJKU-INIZCTEOSA-N 0 1 303.406 0.789 20 30 DCEDMN C#CCOCCC(=O)N[C@H]1CCN(CC(=O)NC(C)C)[C@H](C)C1 ZINC001274622819 951747643 /nfs/dbraw/zinc/74/76/43/951747643.db2.gz HADKAMPHMUGFLT-CABCVRRESA-N 0 1 323.437 0.520 20 30 DCEDMN COCC#CCN1CC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1C ZINC001274632963 951755726 /nfs/dbraw/zinc/75/57/26/951755726.db2.gz CRSHRQRLBFWFHV-SUJAAXHWSA-N 0 1 306.406 0.498 20 30 DCEDMN C#CCN(C)C[C@H](O)CN(C)C(=O)c1cnc(C(C)(C)C)nc1 ZINC001332677767 951758949 /nfs/dbraw/zinc/75/89/49/951758949.db2.gz ULWQOWSEPZIHIH-AWEZNQCLSA-N 0 1 318.421 0.772 20 30 DCEDMN C#CC[N@H+](C)CCN(C(=O)[C@@H]1CCc2nnc(C)n2C1)C(C)C ZINC001332740285 951781770 /nfs/dbraw/zinc/78/17/70/951781770.db2.gz GSWVYOLQMNAXBP-OAHLLOKOSA-N 0 1 317.437 0.951 20 30 DCEDMN C#CCN(C)CCN(C(=O)[C@@H]1CCc2nnc(C)n2C1)C(C)C ZINC001332740285 951781776 /nfs/dbraw/zinc/78/17/76/951781776.db2.gz GSWVYOLQMNAXBP-OAHLLOKOSA-N 0 1 317.437 0.951 20 30 DCEDMN COCCN(CCNC(=O)C#CC(C)(C)C)Cc1n[nH]c(C)n1 ZINC001332913757 951847856 /nfs/dbraw/zinc/84/78/56/951847856.db2.gz LGNJZYBSOAIVHP-UHFFFAOYSA-N 0 1 321.425 0.727 20 30 DCEDMN C#CCN(C(=O)C(=O)NCCCCN1CCOCC1)C(C)C ZINC001333073417 951908434 /nfs/dbraw/zinc/90/84/34/951908434.db2.gz DVCWGAOJKYQQAU-UHFFFAOYSA-N 0 1 309.410 0.085 20 30 DCEDMN 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C=CCCN1CCO[C@@](C)(CNC(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001108217177 759417993 /nfs/dbraw/zinc/41/79/93/759417993.db2.gz OGWSJCQDMQYTRN-VBQJREDUSA-N 0 1 323.437 0.494 20 30 DCEDMN N#Cc1nccnc1N[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001057765639 759427764 /nfs/dbraw/zinc/42/77/64/759427764.db2.gz ZSHPZLPJMNXENY-NSHDSACASA-N 0 1 311.349 0.717 20 30 DCEDMN C#CCCCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001052478418 759440542 /nfs/dbraw/zinc/44/05/42/759440542.db2.gz QBDVCLUKGGTSIH-NEPJUHHUSA-N 0 1 303.366 0.433 20 30 DCEDMN C#CCCCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001052478418 759440546 /nfs/dbraw/zinc/44/05/46/759440546.db2.gz QBDVCLUKGGTSIH-NEPJUHHUSA-N 0 1 303.366 0.433 20 30 DCEDMN C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1CNC(=O)c1cnn[nH]1 ZINC001052559319 759493346 /nfs/dbraw/zinc/49/33/46/759493346.db2.gz IESUSFNOORJLBJ-NEPJUHHUSA-N 0 1 317.393 0.679 20 30 DCEDMN C#CCN1CCC[C@H](NC(=O)c2cc(=O)c(OC)co2)CC1 ZINC001052563546 759498492 /nfs/dbraw/zinc/49/84/92/759498492.db2.gz UQMBGDYLLCNRBJ-LBPRGKRZSA-N 0 1 304.346 0.866 20 30 DCEDMN C[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1CNC(=O)c1ncn[nH]1 ZINC001052571417 759498964 /nfs/dbraw/zinc/49/89/64/759498964.db2.gz FGRJWOPAQPZMFD-RYUDHWBXSA-N 0 1 317.393 0.679 20 30 DCEDMN C[C@H]1CN(C(=O)C#CC(C)(C)C)C[C@@H]1CNC(=O)c1nc[nH]n1 ZINC001052571417 759498969 /nfs/dbraw/zinc/49/89/69/759498969.db2.gz FGRJWOPAQPZMFD-RYUDHWBXSA-N 0 1 317.393 0.679 20 30 DCEDMN C=C(C)CN1CC[C@@H]1CN(C)C(=O)[C@@H]1CN(C(C)=O)CCO1 ZINC001085952486 759506348 /nfs/dbraw/zinc/50/63/48/759506348.db2.gz DMPAWUJWUFBRDI-CABCVRRESA-N 0 1 309.410 0.343 20 30 DCEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1cccnc1C(N)=O ZINC001085983529 759544829 /nfs/dbraw/zinc/54/48/29/759544829.db2.gz IVCIUEUGZQOZPB-GFCCVEGCSA-N 0 1 300.362 0.350 20 30 DCEDMN N#Cc1cccnc1N1CCC(CNC(=O)c2cnn[nH]2)CC1 ZINC001057819953 759567705 /nfs/dbraw/zinc/56/77/05/759567705.db2.gz AHIBLBAEZAXRIE-UHFFFAOYSA-N 0 1 311.349 0.718 20 30 DCEDMN N#Cc1ccc(N2CCC(CNC(=O)c3cnn[nH]3)CC2)nc1 ZINC001057820229 759567778 /nfs/dbraw/zinc/56/77/78/759567778.db2.gz REDYPHORFCSBSO-UHFFFAOYSA-N 0 1 311.349 0.718 20 30 DCEDMN C=CCOCCN1CC[C@@H](NC(=O)c2cnoc2CC)[C@H](O)C1 ZINC001100021562 759592582 /nfs/dbraw/zinc/59/25/82/759592582.db2.gz AMFGKSLJJHJXFL-ZIAGYGMSSA-N 0 1 323.393 0.605 20 30 DCEDMN Cn1ccnc1CN[C@H]1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001086064419 759652900 /nfs/dbraw/zinc/65/29/00/759652900.db2.gz KERSHFWOPPMLTJ-BJHJDKERSA-N 0 1 312.377 0.918 20 30 DCEDMN CN1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2cncc(C#N)n2)C1 ZINC001058120746 759745724 /nfs/dbraw/zinc/74/57/24/759745724.db2.gz VOPHCRUOUMONJQ-OCCSQVGLSA-N 0 1 314.393 0.527 20 30 DCEDMN CN1CCCC[C@@H]1C(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 ZINC001122860584 767886656 /nfs/dbraw/zinc/88/66/56/767886656.db2.gz HBJOWGXSSYODPZ-ZIAGYGMSSA-N 0 1 317.393 0.327 20 30 DCEDMN C#Cc1cncc(C(=O)NC[C@H]2C[C@@H](NCc3cnn(C)n3)C2)c1 ZINC001086193638 759827409 /nfs/dbraw/zinc/82/74/09/759827409.db2.gz KUCXSTUGPZZBOS-OTVXOJSOSA-N 0 1 324.388 0.490 20 30 DCEDMN CC(C)N1CCCC[C@@H]1C(=O)NC[C@]1(C)CN(CC#N)CCO1 ZINC001108257446 759886995 /nfs/dbraw/zinc/88/69/95/759886995.db2.gz KZBXPDXYZGXAOX-NVXWUHKLSA-N 0 1 322.453 0.980 20 30 DCEDMN C#Cc1ccc(C(=O)NC[C@H]2C[C@@H](NCc3nncn3C)C2)nc1 ZINC001086255297 759913466 /nfs/dbraw/zinc/91/34/66/759913466.db2.gz TYBNBKFHZCMRLY-OKILXGFUSA-N 0 1 324.388 0.490 20 30 DCEDMN C[C@H](CNC(=O)[C@@H](C)Cc1cnc[nH]1)Nc1nccnc1C#N ZINC001098319585 759920318 /nfs/dbraw/zinc/92/03/18/759920318.db2.gz HUSMMCBMQDCFPR-WDEREUQCSA-N 0 1 313.365 0.867 20 30 DCEDMN Cc1cc(C(=O)N2CCC[C@H](NC(=O)[C@@H](C)C#N)CC2)n[nH]1 ZINC001066473810 759969938 /nfs/dbraw/zinc/96/99/38/759969938.db2.gz AIFGYBOXQITBNH-JQWIXIFHSA-N 0 1 303.366 0.989 20 30 DCEDMN C[C@H](C#N)C(=O)N[C@H]1CCCN(C(=O)Cc2ccn[nH]2)CC1 ZINC001066474893 759974191 /nfs/dbraw/zinc/97/41/91/759974191.db2.gz KXDTWOLRECSLAB-NEPJUHHUSA-N 0 1 303.366 0.609 20 30 DCEDMN Cc1ncc(C(=O)N2CCC[C@@H](NC(=O)[C@@H](C)C#N)CC2)[nH]1 ZINC001066476281 759980468 /nfs/dbraw/zinc/98/04/68/759980468.db2.gz XSKMTMZIYPRHBJ-CMPLNLGQSA-N 0 1 303.366 0.989 20 30 DCEDMN Cn1cc(CN[C@H]2C[C@H](CNC(=O)c3ccc(C#N)[nH]3)C2)nn1 ZINC001086344141 760064967 /nfs/dbraw/zinc/06/49/67/760064967.db2.gz CCIBOLKKMQOCOD-UMSPYCQHSA-N 0 1 313.365 0.313 20 30 DCEDMN N#Cc1ccc(NCC2CC(NC(=O)Cc3nnc[nH]3)C2)nn1 ZINC001067864845 760150965 /nfs/dbraw/zinc/15/09/65/760150965.db2.gz QXEJNHMFVWYAML-UHFFFAOYSA-N 0 1 312.337 0.016 20 30 DCEDMN COc1ccc(C#N)cc1CNCCNC(=O)[C@H](C)NC(C)=O ZINC001123072857 767923648 /nfs/dbraw/zinc/92/36/48/767923648.db2.gz ZUVUQCIBZWYOIF-NSHDSACASA-N 0 1 318.377 0.297 20 30 DCEDMN CCc1nc(C#N)cc(N[C@H](C)CNC(=O)Cc2nnc[nH]2)n1 ZINC001098056197 760237817 /nfs/dbraw/zinc/23/78/17/760237817.db2.gz HLURJMAQPZANFL-SECBINFHSA-N 0 1 314.353 0.188 20 30 DCEDMN CC#CCN1CC[C@H](NC(=O)c2c(C)cc(=O)oc2C)[C@@H](O)C1 ZINC001090417316 760379255 /nfs/dbraw/zinc/37/92/55/760379255.db2.gz RIJDOKZYVLJYOJ-KBPBESRZSA-N 0 1 318.373 0.445 20 30 DCEDMN C=CCCN1CCO[C@](C)(CNC(=O)COCCCOC)C1 ZINC001108329676 760388076 /nfs/dbraw/zinc/38/80/76/760388076.db2.gz TUSCYMRJXOSDJG-MRXNPFEDSA-N 0 1 314.426 0.823 20 30 DCEDMN CC#CC[N@H+]1CC[C@@H](NC(=O)CCn2cc(Cl)cn2)[C@H](O)C1 ZINC001100122563 760388765 /nfs/dbraw/zinc/38/87/65/760388765.db2.gz UBPXEEVWSMUMRS-ZIAGYGMSSA-N 0 1 324.812 0.501 20 30 DCEDMN CC#CCN1CC[C@@H](NC(=O)CCn2cc(Cl)cn2)[C@H](O)C1 ZINC001100122563 760388776 /nfs/dbraw/zinc/38/87/76/760388776.db2.gz UBPXEEVWSMUMRS-ZIAGYGMSSA-N 0 1 324.812 0.501 20 30 DCEDMN COCC#CCN1CCC2(CN(C(=O)[C@H]3CCOC[C@H]3C)C2)C1 ZINC001148235953 767949854 /nfs/dbraw/zinc/94/98/54/767949854.db2.gz VWZGYCNSFCDPIQ-CVEARBPZSA-N 0 1 320.433 0.843 20 30 DCEDMN N#Cc1cnccc1NC[C@H]1C[C@H](NC(=O)Cc2cnc[nH]2)C1 ZINC001068595488 760429972 /nfs/dbraw/zinc/42/99/72/760429972.db2.gz CKAWSIBIQKTBNZ-AULYBMBSSA-N 0 1 310.361 0.648 20 30 DCEDMN C=CCNC(=O)[C@@H](C)N1CCC2(CN(C(=O)C3(CF)CC3)C2)C1 ZINC001148270449 767956365 /nfs/dbraw/zinc/95/63/65/767956365.db2.gz BGHCLMTWBFGWLY-CYBMUJFWSA-N 0 1 323.412 0.961 20 30 DCEDMN C=CCCC(=O)N[C@@H]1COC2(CN(C(=O)c3[nH]nnc3C)C2)C1 ZINC001068756667 760527313 /nfs/dbraw/zinc/52/73/13/760527313.db2.gz GOIOCYATVBBEJZ-NSHDSACASA-N 0 1 319.365 0.179 20 30 DCEDMN C=C(C)CN1CC[C@H](NC(=O)c2ncc(OC)cn2)[C@H](O)C1 ZINC001090419153 760562331 /nfs/dbraw/zinc/56/23/31/760562331.db2.gz DZZQFJWKVNBIBW-QWHCGFSZSA-N 0 1 306.366 0.226 20 30 DCEDMN C=C(C)CCC(=O)N[C@@H]1COC2(CN(C(=O)c3ccn[nH]3)C2)C1 ZINC001068889778 760589751 /nfs/dbraw/zinc/58/97/51/760589751.db2.gz DXSRCBQFWDMJGU-LBPRGKRZSA-N 0 1 318.377 0.866 20 30 DCEDMN C[C@H]1[C@H](Nc2nccnc2C#N)CCN1C(=O)Cc1ncn[nH]1 ZINC001068893861 760590821 /nfs/dbraw/zinc/59/08/21/760590821.db2.gz LKCXTLLSJAOZFG-VHSXEESVSA-N 0 1 312.337 0.110 20 30 DCEDMN COc1ccc(C#N)cc1CNCCNC(=O)c1cnn(C)c1 ZINC001123348281 767966816 /nfs/dbraw/zinc/96/68/16/767966816.db2.gz SQZKEXZBIYPIHK-UHFFFAOYSA-N 0 1 313.361 0.820 20 30 DCEDMN C#CCN1CCC2(CN(C(=O)[C@H](CC(=C)C)NC(C)=O)C2)C1 ZINC001148391323 767970390 /nfs/dbraw/zinc/97/03/90/767970390.db2.gz SPWOZDRZTNEPMS-HNNXBMFYSA-N 0 1 303.406 0.625 20 30 DCEDMN C[C@H]1C[C@H](Nc2ccc(C#N)nc2)CN1C(=O)Cc1ncn[nH]1 ZINC001069140909 760694510 /nfs/dbraw/zinc/69/45/10/760694510.db2.gz KCYLTZXPQOFBLJ-GWCFXTLKSA-N 0 1 311.349 0.715 20 30 DCEDMN C[C@H]1C[C@@H](Nc2nccnc2C#N)CN1C(=O)Cc1ncn[nH]1 ZINC001069139526 760695185 /nfs/dbraw/zinc/69/51/85/760695185.db2.gz BDZBVSYUUJEGOA-VHSXEESVSA-N 0 1 312.337 0.110 20 30 DCEDMN Cc1nn[nH]c1C(=O)N1C[C@H](Nc2cnc(C#N)cn2)C[C@H]1C ZINC001069182910 760707882 /nfs/dbraw/zinc/70/78/82/760707882.db2.gz BTWVXFIPNUBJHP-PSASIEDQSA-N 0 1 312.337 0.490 20 30 DCEDMN Cc1nn[nH]c1C(=O)N1C[C@@H](Nc2ccncc2C#N)C[C@H]1C ZINC001069183357 760709401 /nfs/dbraw/zinc/70/94/01/760709401.db2.gz JJVMEKTUBRVPAG-SKDRFNHKSA-N 0 1 311.349 0.517 20 30 DCEDMN CCN(CC)C[C@H](F)C(=O)NC[C@H](C)Nc1nccnc1C#N ZINC001098087397 760719537 /nfs/dbraw/zinc/71/95/37/760719537.db2.gz IBRPIVBBUBURKZ-RYUDHWBXSA-N 0 1 322.388 0.945 20 30 DCEDMN CCN(CC)C[C@H](F)C(=O)NC[C@H](C)Nc1ccnc(C#N)n1 ZINC001098087609 760723145 /nfs/dbraw/zinc/72/31/45/760723145.db2.gz LIUPCQFAOGZECG-RYUDHWBXSA-N 0 1 322.388 0.367 20 30 DCEDMN N#Cc1cncc(N2CC[C@@]3(NC(=O)c4cnn[nH]4)CCC[C@H]23)n1 ZINC001069297224 760736511 /nfs/dbraw/zinc/73/65/11/760736511.db2.gz VUPVWIOPCZCWQD-WFASDCNBSA-N 0 1 324.348 0.398 20 30 DCEDMN C[C@H]1[C@@H](NC(=O)c2ncn[nH]2)CCCN1c1ccncc1C#N ZINC001069380930 760754167 /nfs/dbraw/zinc/75/41/67/760754167.db2.gz LCNGIGPKROAMHK-JQWIXIFHSA-N 0 1 311.349 0.859 20 30 DCEDMN C[C@H]1[C@@H](NC(=O)c2nc[nH]n2)CCCN1c1ccncc1C#N ZINC001069380930 760754172 /nfs/dbraw/zinc/75/41/72/760754172.db2.gz LCNGIGPKROAMHK-JQWIXIFHSA-N 0 1 311.349 0.859 20 30 DCEDMN C=C(C)CCN1CC(N2C[C@@H](NC(=O)[C@@H](C)OC)CC2=O)C1 ZINC001108516465 760761799 /nfs/dbraw/zinc/76/17/99/760761799.db2.gz XGQVQRLQUJGOLI-OLZOCXBDSA-N 0 1 309.410 0.389 20 30 DCEDMN C[C@@H]1[C@H](NC(=O)c2cnn[nH]2)CCCN1c1cncc(C#N)n1 ZINC001069420211 760763717 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C=CC(C)(C)C(=O)N1C[C@H](O)[C@H](CNC(=O)Cc2cnc[nH]2)C1 ZINC001081801180 756814675 /nfs/dbraw/zinc/81/46/75/756814675.db2.gz ZWDZGUXOFDNWKB-YPMHNXCESA-N 0 1 320.393 0.100 20 30 DCEDMN C#CCCCC(=O)NC1CCN(CCNC(=O)[C@@H](C)OC)CC1 ZINC001055533047 756816128 /nfs/dbraw/zinc/81/61/28/756816128.db2.gz SEGGSRSWIAZPME-CQSZACIVSA-N 0 1 323.437 0.522 20 30 DCEDMN C[C@H](C#N)C(=O)NC1CCN(CCNC(=O)/C=C\C2CC2)CC1 ZINC001055550846 756820463 /nfs/dbraw/zinc/82/04/63/756820463.db2.gz CJVCTLWSSFLVHQ-DSYXLKISSA-N 0 1 318.421 0.809 20 30 DCEDMN C#CCCN1C[C@@H](NC(=O)c2c[nH]nc2C(C)C)[C@H](OC)C1 ZINC001081886120 756836375 /nfs/dbraw/zinc/83/63/75/756836375.db2.gz USDXEIBWIUPIHD-ZIAGYGMSSA-N 0 1 304.394 0.985 20 30 DCEDMN CCc1cc(C(=O)N2CCN(c3nccnc3C#N)CC2)n[nH]1 ZINC001055728399 756890058 /nfs/dbraw/zinc/89/00/58/756890058.db2.gz PBTQIHDEXURLFI-UHFFFAOYSA-N 0 1 311.349 0.596 20 30 DCEDMN C=C(C)CN1C[C@@H](NC(=O)[C@H]2CC(=O)N(CCC)C2)[C@H](OC)C1 ZINC001082184856 756956956 /nfs/dbraw/zinc/95/69/56/756956956.db2.gz 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/nfs/dbraw/zinc/67/11/17/757671117.db2.gz OUOYOANEUSNHAL-MNOVXSKESA-N 0 1 309.391 0.198 20 30 DCEDMN C#CCCN1C[C@@H](NC(=O)c2ccc(OC(C)C)cn2)[C@@H](O)C1 ZINC001084128686 757684980 /nfs/dbraw/zinc/68/49/80/757684980.db2.gz YMXMIVCWTXCTFZ-CVEARBPZSA-N 0 1 317.389 0.667 20 30 DCEDMN C#CCCCCC(=O)N(CCO)CCNC(=O)CN1CCCC1 ZINC001057390674 757690489 /nfs/dbraw/zinc/69/04/89/757690489.db2.gz KXUQNSRISBZAHO-UHFFFAOYSA-N 0 1 323.437 0.213 20 30 DCEDMN C[C@@H](C#N)C(=O)N1CC2(C1)CCN(CC(=O)N(C)C1CC1)CC2 ZINC001050459312 757726979 /nfs/dbraw/zinc/72/69/79/757726979.db2.gz KYZYVSNODNYWKG-ZDUSSCGKSA-N 0 1 318.421 0.691 20 30 DCEDMN CC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(C(C)C)C3)[C@@H]2C1 ZINC001084385720 757797005 /nfs/dbraw/zinc/79/70/05/757797005.db2.gz OMZGXWZUJBXNBB-BZUAXINKSA-N 0 1 317.433 0.799 20 30 DCEDMN C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001084487361 757868380 /nfs/dbraw/zinc/86/83/80/757868380.db2.gz HRSWGXHYUAWQHZ-NXEZZACHSA-N 0 1 305.338 0.005 20 30 DCEDMN CC#CCN1CC[C@@H]2CN(C(=O)c3c(C)c(C)n[nH]c3=O)[C@@H]2C1 ZINC001084566841 757909564 /nfs/dbraw/zinc/90/95/64/757909564.db2.gz CSCBLMRWENGSGZ-ZIAGYGMSSA-N 0 1 314.389 0.969 20 30 DCEDMN C=CCN1CC[C@@H]2CN(C(=O)[C@@H]3CCc4nnn(C)c4C3)[C@@H]2C1 ZINC001084611513 757931471 /nfs/dbraw/zinc/93/14/71/757931471.db2.gz SUSGGTDAINWVKN-XJKCOSOUSA-N 0 1 315.421 0.639 20 30 DCEDMN CC#CCN1CC[C@@H]2CN(C(=O)[C@@H]3CC(=O)N(CCC)C3)[C@@H]2C1 ZINC001084691608 757972451 /nfs/dbraw/zinc/97/24/51/757972451.db2.gz VVNHGIJTOFSWLE-BZUAXINKSA-N 0 1 317.433 0.801 20 30 DCEDMN C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(CC(=O)[O-])CCOCC1 ZINC001119643697 758074821 /nfs/dbraw/zinc/07/48/21/758074821.db2.gz DASTXWKZSDRBRS-ZDUSSCGKSA-N 0 1 308.378 0.472 20 30 DCEDMN C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(CC(=O)[O-])CCOCC1 ZINC001119643697 758074833 /nfs/dbraw/zinc/07/48/33/758074833.db2.gz DASTXWKZSDRBRS-ZDUSSCGKSA-N 0 1 308.378 0.472 20 30 DCEDMN C#CCCN1CC[C@@H]2CN(C(=O)c3noc4c3COCC4)[C@@H]2C1 ZINC001084843139 758081274 /nfs/dbraw/zinc/08/12/74/758081274.db2.gz QMJSKHTZAKHBNW-TZMCWYRMSA-N 0 1 315.373 0.917 20 30 DCEDMN C#CC[NH+]1CCC(C(=O)N2CCC(c3nn[n-]n3)CC2)CC1 ZINC000820365058 758139910 /nfs/dbraw/zinc/13/99/10/758139910.db2.gz GWVVTKJRMOFWQW-UHFFFAOYSA-N 0 1 302.382 0.251 20 30 DCEDMN C=C(Cl)CN1CC[C@@H](NC(=O)CCc2cnc[nH]2)[C@@H](O)C1 ZINC001099872277 758179236 /nfs/dbraw/zinc/17/92/36/758179236.db2.gz RTQUIOKIWFIFBH-OLZOCXBDSA-N 0 1 312.801 0.646 20 30 DCEDMN C#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(CCC)C3)C[C@@H]21 ZINC001085045241 758181321 /nfs/dbraw/zinc/18/13/21/758181321.db2.gz CBKRJFUZBUPOLA-OAGGEKHMSA-N 0 1 317.433 0.801 20 30 DCEDMN C[C@@H](CNC(=O)[C@@H]1CCc2[nH]cnc2C1)Nc1ccncc1C#N ZINC001098034080 758195489 /nfs/dbraw/zinc/19/54/89/758195489.db2.gz XHKPKVIHBRPVRS-NWDGAFQWSA-N 0 1 324.388 0.820 20 30 DCEDMN N#Cc1ccc(N[C@@H]2CCCN(C(=O)Cc3ncn[nH]3)C2)cn1 ZINC001057691578 758304871 /nfs/dbraw/zinc/30/48/71/758304871.db2.gz YUTCGBQMNTXLBB-CYBMUJFWSA-N 0 1 311.349 0.717 20 30 DCEDMN Cc1nc(N2CC[C@](C)(NC(=O)c3ncn[nH]3)C2)ccc1C#N ZINC001065272947 758310784 /nfs/dbraw/zinc/31/07/84/758310784.db2.gz FDHOGWDSUKRXNT-HNNXBMFYSA-N 0 1 311.349 0.779 20 30 DCEDMN Cc1nc(N2CC[C@](C)(NC(=O)c3nc[nH]n3)C2)ccc1C#N ZINC001065272947 758310790 /nfs/dbraw/zinc/31/07/90/758310790.db2.gz FDHOGWDSUKRXNT-HNNXBMFYSA-N 0 1 311.349 0.779 20 30 DCEDMN Cc1cc(C#N)nc(N2CC[C@@](C)(NC(=O)c3cnn[nH]3)C2)n1 ZINC001065358724 758370001 /nfs/dbraw/zinc/37/00/01/758370001.db2.gz JNYQUGZSMLOEFV-CQSZACIVSA-N 0 1 312.337 0.174 20 30 DCEDMN CC#CCN1CCOC[C@@H]1CNC(=O)[C@H]1CCCc2[nH]cnc21 ZINC001051100952 758435168 /nfs/dbraw/zinc/43/51/68/758435168.db2.gz HKMRPWGLCLIDDY-KBPBESRZSA-N 0 1 316.405 0.670 20 30 DCEDMN C#CCN1CCOC[C@@H]1CNC(=O)c1[nH]nc2c1C[C@H](C)CC2 ZINC001051190205 758497704 /nfs/dbraw/zinc/49/77/04/758497704.db2.gz XCNNAPXDVIXSIV-OLZOCXBDSA-N 0 1 316.405 0.598 20 30 DCEDMN CC#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC001051199938 758506035 /nfs/dbraw/zinc/50/60/35/758506035.db2.gz KJBYRMBZNAALJE-KGLIPLIRSA-N 0 1 316.405 0.355 20 30 DCEDMN C#CCCN1CCOC[C@@H]1CNC(=O)c1cnccc1N(C)C ZINC001051212421 758517146 /nfs/dbraw/zinc/51/71/46/758517146.db2.gz NPPNXGBEYKTTKH-AWEZNQCLSA-N 0 1 316.405 0.602 20 30 DCEDMN C#CCN1CCc2c(CNC(=O)[C@@H]3CCC(=O)N3)cccc2C1 ZINC001051305852 758571527 /nfs/dbraw/zinc/57/15/27/758571527.db2.gz VKDVHSBXOVYFDR-INIZCTEOSA-N 0 1 311.385 0.573 20 30 DCEDMN C[C@H](CNC(=O)[C@H](C)Cc1cnc[nH]1)Nc1ccnc(C#N)n1 ZINC001098319767 762644168 /nfs/dbraw/zinc/64/41/68/762644168.db2.gz JPQWRCPBNXCSKE-GHMZBOCLSA-N 0 1 313.365 0.289 20 30 DCEDMN C[C@@H](CNC(=O)[C@@H](C)Cc1cnc[nH]1)Nc1cnc(C#N)cn1 ZINC001098320205 762644186 /nfs/dbraw/zinc/64/41/86/762644186.db2.gz QUJWAVXLXYHVJW-QWRGUYRKSA-N 0 1 313.365 0.867 20 30 DCEDMN COc1ccnc(CNC[C@H]2CN(C(=O)[C@@H](C)C#N)CCO2)c1 ZINC001051494490 758712727 /nfs/dbraw/zinc/71/27/27/758712727.db2.gz IOXKUPZHKQSPLQ-WFASDCNBSA-N 0 1 318.377 0.567 20 30 DCEDMN Cc1nc([C@@H](C)NC[C@H]2CN(C(=O)C#CC3CC3)CCO2)n[nH]1 ZINC001051608334 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BMVTXADJRYLYQC-LLVKDONJSA-N 0 1 312.337 0.037 20 30 DCEDMN C#CC[N@H+](C)CCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001588349275 1166539666 /nfs/dbraw/zinc/53/96/66/1166539666.db2.gz KSAWVKDXIZYDOU-UHFFFAOYSA-N 0 1 316.325 0.537 20 30 DCEDMN C#CC[N@@H+](C)CCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001588349275 1166539671 /nfs/dbraw/zinc/53/96/71/1166539671.db2.gz KSAWVKDXIZYDOU-UHFFFAOYSA-N 0 1 316.325 0.537 20 30 DCEDMN C#CC[N@H+](C)CCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001588349275 1166539677 /nfs/dbraw/zinc/53/96/77/1166539677.db2.gz KSAWVKDXIZYDOU-UHFFFAOYSA-N 0 1 316.325 0.537 20 30 DCEDMN C#CC[N@@H+](C)CCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001588349275 1166539681 /nfs/dbraw/zinc/53/96/81/1166539681.db2.gz KSAWVKDXIZYDOU-UHFFFAOYSA-N 0 1 316.325 0.537 20 30 DCEDMN C#CCOCCC(=O)Nc1nc2cc(-c3nn[nH]n3)ccc2[nH]1 ZINC001588362663 1166547429 /nfs/dbraw/zinc/54/74/29/1166547429.db2.gz OPWOPUGGGJOYNB-UHFFFAOYSA-N 0 1 311.305 0.721 20 30 DCEDMN C=C(C)CNC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC001588429504 1166556278 /nfs/dbraw/zinc/55/62/78/1166556278.db2.gz CGELJOVKMVQROH-UHFFFAOYSA-N 0 1 306.351 0.995 20 30 DCEDMN C=CC(C)(C)C(=O)N[C@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001588478005 1166557903 /nfs/dbraw/zinc/55/79/03/1166557903.db2.gz PHLXYHXYTRPQML-SECBINFHSA-N 0 1 316.369 0.207 20 30 DCEDMN CC#CCN(CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CC1 ZINC001588747911 1166588010 /nfs/dbraw/zinc/58/80/10/1166588010.db2.gz ZSLIZVBFWPXWBM-UHFFFAOYSA-N 0 1 313.365 0.412 20 30 DCEDMN CC[N@H+]1C[C@H](C)N(c2cnc(C#N)c(-c3nnn[n-]3)n2)C[C@H]1C ZINC001590728530 1166982074 /nfs/dbraw/zinc/98/20/74/1166982074.db2.gz AYKGDQUWQSDRGF-ZJUUUORDSA-N 0 1 313.369 0.447 20 30 DCEDMN CC[N@@H+]1C[C@H](C)N(c2cnc(C#N)c(-c3nn[n-]n3)n2)C[C@H]1C ZINC001590728530 1166982087 /nfs/dbraw/zinc/98/20/87/1166982087.db2.gz AYKGDQUWQSDRGF-ZJUUUORDSA-N 0 1 313.369 0.447 20 30 DCEDMN CC[N@H+]1C[C@H](C)N(c2cnc(C#N)c(-c3nn[n-]n3)n2)C[C@H]1C ZINC001590728530 1166982090 /nfs/dbraw/zinc/98/20/90/1166982090.db2.gz AYKGDQUWQSDRGF-ZJUUUORDSA-N 0 1 313.369 0.447 20 30 DCEDMN CCc1nnc(Sc2cnc(-c3nn[nH]n3)c(C#N)n2)o1 ZINC001590934028 1167053915 /nfs/dbraw/zinc/05/39/15/1167053915.db2.gz RKFLVZLQYWPQPG-UHFFFAOYSA-N 0 1 301.295 0.625 20 30 DCEDMN CN(CC(C)(C)C#N)S(=O)(=O)c1cccnc1-c1nn[nH]n1 ZINC001591042370 1167093592 /nfs/dbraw/zinc/09/35/92/1167093592.db2.gz BJNQIBVAYFZDEP-UHFFFAOYSA-N 0 1 321.366 0.432 20 30 DCEDMN CO[C@H]1C[C@H](Nc2cnc(C#N)c(-c3nn[nH]n3)n2)C1(C)C ZINC001591349847 1167227710 /nfs/dbraw/zinc/22/77/10/1167227710.db2.gz KVZYXHRUPJLWOQ-IUCAKERBSA-N 0 1 300.326 0.754 20 30 DCEDMN Cc1nc(-c2nn[nH]n2)c(C#N)n1Cc1nc(-c2ccoc2)no1 ZINC001592336215 1167493204 /nfs/dbraw/zinc/49/32/04/1167493204.db2.gz VBDLZCMIAJPTSN-UHFFFAOYSA-N 0 1 323.276 0.935 20 30 DCEDMN N#CC1(CNC[C@H](O)COc2ccccc2-c2nn[nH]n2)CC1 ZINC001592669314 1167591384 /nfs/dbraw/zinc/59/13/84/1167591384.db2.gz GJHIRAZEUSVSBD-NSHDSACASA-N 0 1 314.349 0.500 20 30 DCEDMN N#CCc1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC001592680384 1167599400 /nfs/dbraw/zinc/59/94/00/1167599400.db2.gz ZFIRAHYLZJNKLU-UHFFFAOYSA-N 0 1 309.293 0.163 20 30 DCEDMN N#Cc1c(-c2nn[nH]n2)nc(N)n1CC(=O)Nc1ccccc1 ZINC001592681453 1167599427 /nfs/dbraw/zinc/59/94/27/1167599427.db2.gz DEMJVISPRXDOJM-UHFFFAOYSA-N 0 1 309.293 0.156 20 30 DCEDMN N#Cc1nc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cnc1-c1nnn[n-]1 ZINC001592707944 1167607273 /nfs/dbraw/zinc/60/72/73/1167607273.db2.gz LFQHUSHKONQIQG-NXEZZACHSA-N 0 1 311.353 0.567 20 30 DCEDMN N#Cc1nc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cnc1-c1nnn[n-]1 ZINC001592707944 1167607278 /nfs/dbraw/zinc/60/72/78/1167607278.db2.gz LFQHUSHKONQIQG-NXEZZACHSA-N 0 1 311.353 0.567 20 30 DCEDMN N#Cc1nc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cnc1-c1nn[n-]n1 ZINC001592707944 1167607281 /nfs/dbraw/zinc/60/72/81/1167607281.db2.gz LFQHUSHKONQIQG-NXEZZACHSA-N 0 1 311.353 0.567 20 30 DCEDMN N#Cc1nc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cnc1-c1nn[n-]n1 ZINC001592707944 1167607285 /nfs/dbraw/zinc/60/72/85/1167607285.db2.gz LFQHUSHKONQIQG-NXEZZACHSA-N 0 1 311.353 0.567 20 30 DCEDMN N#Cc1ncc(N2Cc3ccc(O)cc3C2)nc1-c1nn[nH]n1 ZINC001592710582 1167609594 /nfs/dbraw/zinc/60/95/94/1167609594.db2.gz PMKVMIURKZIKFK-UHFFFAOYSA-N 0 1 306.289 0.754 20 30 DCEDMN C=C[C@@](C)(CC)C(=O)NCc1n[nH]c(CS(C)(=O)=O)n1 ZINC001597722719 1168011340 /nfs/dbraw/zinc/01/13/40/1168011340.db2.gz ZJBKKAZCFXHUJJ-LBPRGKRZSA-N 0 1 300.384 0.568 20 30 DCEDMN Cc1cc(C(=O)N2CC[N@H+](C)C[C@@H](C(=O)[O-])C2)ncc1C#N ZINC001600083358 1168115321 /nfs/dbraw/zinc/11/53/21/1168115321.db2.gz VFZGZTKXSCVEQH-GFCCVEGCSA-N 0 1 302.334 0.350 20 30 DCEDMN N#CCOc1ccc(C[N@H+]2CCC[C@H]2C(=O)NCC(=O)[O-])cc1 ZINC001601074130 1168581923 /nfs/dbraw/zinc/58/19/23/1168581923.db2.gz YDERKILIYOAZPT-AWEZNQCLSA-N 0 1 317.345 0.754 20 30 DCEDMN N#CCOc1ccc(C[N@@H+]2CCC[C@H]2C(=O)NCC(=O)[O-])cc1 ZINC001601074130 1168581925 /nfs/dbraw/zinc/58/19/25/1168581925.db2.gz YDERKILIYOAZPT-AWEZNQCLSA-N 0 1 317.345 0.754 20 30 DCEDMN 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N#Cc1nc(C(=O)[O-])ccc1N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001601133825 1168592668 /nfs/dbraw/zinc/59/26/68/1168592668.db2.gz WEKARSMAUJHSID-LSDHHAIUSA-N 0 1 316.361 0.687 20 30 DCEDMN C#CCN(CC#CC)S(=O)(=O)c1ccsc1-c1nn[nH]n1 ZINC001602719940 1169170604 /nfs/dbraw/zinc/17/06/04/1169170604.db2.gz LTEJHWZBOFKJOV-UHFFFAOYSA-N 0 1 321.387 0.575 20 30 DCEDMN C#CCNC(=O)C[N@@H+]1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001602724929 1169172519 /nfs/dbraw/zinc/17/25/19/1169172519.db2.gz KTMLVJNMUUCLBV-UONOGXRCSA-N 0 1 302.330 0.242 20 30 DCEDMN C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](O)[C@H]2C(=O)[O-])cc1 ZINC001602738773 1169176568 /nfs/dbraw/zinc/17/65/68/1169176568.db2.gz MDZQNSQITNNTAV-ZBFHGGJFSA-N 0 1 316.357 0.906 20 30 DCEDMN C=CCOCCCCOC(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001602869391 1169196472 /nfs/dbraw/zinc/19/64/72/1169196472.db2.gz CORVPILRVUYRSR-SNVBAGLBSA-N 0 1 321.341 0.545 20 30 DCEDMN C=C[C@H](CO)[NH2+]Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1 ZINC001602945651 1169215682 /nfs/dbraw/zinc/21/56/82/1169215682.db2.gz ZTCYGHVKPUNKCE-SSDOTTSWSA-N 0 1 309.347 0.628 20 30 DCEDMN C/C(=C/C(=O)[O-])C[N@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC001602957017 1169219626 /nfs/dbraw/zinc/21/96/26/1169219626.db2.gz CFDSMECKTBCWTO-SEVUFMINSA-N 0 1 301.350 0.890 20 30 DCEDMN C/C(=C/C(=O)[O-])C[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC001602957017 1169219634 /nfs/dbraw/zinc/21/96/34/1169219634.db2.gz CFDSMECKTBCWTO-SEVUFMINSA-N 0 1 301.350 0.890 20 30 DCEDMN C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(O)(C(=O)[O-])CC1 ZINC001603154486 1169259818 /nfs/dbraw/zinc/25/98/18/1169259818.db2.gz FYGCNNMBPIKHJV-LBPRGKRZSA-N 0 1 323.393 0.629 20 30 DCEDMN CC(C)[C@](C)(C#N)NC(=O)Cn1ccc(-c2nn[nH]n2)cc1=O ZINC001603202533 1169273851 /nfs/dbraw/zinc/27/38/51/1169273851.db2.gz FZKYBMSVNKEEAT-AWEZNQCLSA-N 0 1 315.337 0.083 20 30 DCEDMN C[C@@]1(CNc2cnc(C#N)c(-c3nn[nH]n3)n2)CCCCO1 ZINC001603807845 1169398911 /nfs/dbraw/zinc/39/89/11/1169398911.db2.gz PHZXIKZPVRQVNW-ZDUSSCGKSA-N 0 1 300.326 0.899 20 30 DCEDMN 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N#Cc1cnccc1N[C@@H]1CCCN(C(=O)Cc2ccn[nH]2)C1 ZINC001057607721 758102907 /nfs/dbraw/zinc/10/29/07/758102907.db2.gz LIDFINFCNOBNCM-CQSZACIVSA-N 0 1 310.361 0.744 20 30 DCEDMN C=C(Cl)CN1CCOC[C@@H]1CNC(=O)[C@H]1CCCN1C ZINC001050836255 758140308 /nfs/dbraw/zinc/14/03/08/758140308.db2.gz ACRGELMLLUWBQV-QWHCGFSZSA-N 0 1 301.818 0.650 20 30 DCEDMN C=CCCN1CC[C@@H]2CCN(C(=O)[C@@H](C)S(C)(=O)=O)C[C@@H]21 ZINC001084971790 758146708 /nfs/dbraw/zinc/14/67/08/758146708.db2.gz BXIAFNLIYPYVSE-MCIONIFRSA-N 0 1 314.451 0.918 20 30 DCEDMN C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@@H]21 ZINC001085016913 758169077 /nfs/dbraw/zinc/16/90/77/758169077.db2.gz VOUIFWSOCMBIMF-IKGGRYGDSA-N 0 1 319.449 0.652 20 30 DCEDMN C#CCN1CC[C@@H]2CCN(C(=O)[C@@H]3CCCCC(=O)N3)C[C@@H]21 ZINC001085029460 758175795 /nfs/dbraw/zinc/17/57/95/758175795.db2.gz FROVFLRTXLNKSE-ILXRZTDVSA-N 0 1 303.406 0.601 20 30 DCEDMN C=C(Cl)CN1CC[C@@H](NC(=O)CCc2cnc[nH]2)[C@H](O)C1 ZINC001099872276 758180014 /nfs/dbraw/zinc/18/00/14/758180014.db2.gz RTQUIOKIWFIFBH-CHWSQXEVSA-N 0 1 312.801 0.646 20 30 DCEDMN Cn1nccc1CN1CCC2(CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001072633784 762618294 /nfs/dbraw/zinc/61/82/94/762618294.db2.gz OFXUEIAVYMQIEG-UHFFFAOYSA-N 0 1 324.388 0.968 20 30 DCEDMN CCOC(=O)[C@H](C#N)Nc1nc(NC(C)=O)nc2nc[nH]c21 ZINC001170366798 762618745 /nfs/dbraw/zinc/61/87/45/762618745.db2.gz UMZFNMRNZODYQF-ZETCQYMHSA-N 0 1 303.282 0.178 20 30 DCEDMN C#CCN1CCOC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH]cnc21 ZINC001051108852 758439182 /nfs/dbraw/zinc/43/91/82/758439182.db2.gz BRDVQIDPURBRCG-QWHCGFSZSA-N 0 1 302.378 0.280 20 30 DCEDMN N#Cc1ccccc1C[C@H](N)C(=O)N1CCC[C@@H](F)C(=O)C1 ZINC001157730071 762634591 /nfs/dbraw/zinc/63/45/91/762634591.db2.gz HRUBNTXKFGBXOU-KGLIPLIRSA-N 0 1 303.337 0.958 20 30 DCEDMN C=C(C)CN1CCOC[C@H]1CNC(=O)[C@@H]1CCc2[nH]nnc2C1 ZINC001051210089 758513781 /nfs/dbraw/zinc/51/37/81/758513781.db2.gz RWTJKFXLYVHZLS-CHWSQXEVSA-N 0 1 319.409 0.303 20 30 DCEDMN C=C(C)CN1CCOC[C@H]1CNC(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC001051210089 758513788 /nfs/dbraw/zinc/51/37/88/758513788.db2.gz RWTJKFXLYVHZLS-CHWSQXEVSA-N 0 1 319.409 0.303 20 30 DCEDMN Cc1cc(N2CC[C@H](NC(=O)c3cnn[nH]3)[C@H]2C)c(C#N)cn1 ZINC001051226925 758525257 /nfs/dbraw/zinc/52/52/57/758525257.db2.gz MGCXEHMCXPAZLR-PWSUYJOCSA-N 0 1 311.349 0.777 20 30 DCEDMN CC#CCN1CCOC[C@H]1CNC(=O)c1ccc2[nH]nnc2c1 ZINC001051240041 758535838 /nfs/dbraw/zinc/53/58/38/758535838.db2.gz CSAGQIFYTFHVPQ-CYBMUJFWSA-N 0 1 313.361 0.412 20 30 DCEDMN C[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@@H]1CNc1cncc(C#N)n1 ZINC001065807015 758590758 /nfs/dbraw/zinc/59/07/58/758590758.db2.gz HAAYGBYPJFWBSP-MNOVXSKESA-N 0 1 311.349 0.892 20 30 DCEDMN COCC(=O)N1CCO[C@@H](CNCc2ccccc2C#N)C1 ZINC001051376003 758597445 /nfs/dbraw/zinc/59/74/45/758597445.db2.gz LVSUELSYFILHNQ-HNNXBMFYSA-N 0 1 303.362 0.522 20 30 DCEDMN COCC(=O)N1CCO[C@H](CNCc2cc(C#N)ccc2F)C1 ZINC001051376807 758598723 /nfs/dbraw/zinc/59/87/23/758598723.db2.gz UNSZJMNXHGTBIC-CQSZACIVSA-N 0 1 321.352 0.661 20 30 DCEDMN C[C@@H](CNC(=O)C1=NC(=O)N(C)C1)N(C)c1ccnc(C#N)n1 ZINC001113849669 762646446 /nfs/dbraw/zinc/64/64/46/762646446.db2.gz OXTFWOIHLQWAKW-VIFPVBQESA-N 0 1 315.337 0.042 20 30 DCEDMN C[C@@H](C#N)C(=O)N1CCO[C@@H](CNCc2n[nH]c(C3CC3)n2)C1 ZINC001051495190 758714436 /nfs/dbraw/zinc/71/44/36/758714436.db2.gz SAQUFYNHMPEZIW-JQWIXIFHSA-N 0 1 318.381 0.159 20 30 DCEDMN O=C(C#CC1CC1)N[C@H]1CCCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001066157825 758732788 /nfs/dbraw/zinc/73/27/88/758732788.db2.gz VGLSBABLOWNFCH-AWEZNQCLSA-N 0 1 314.389 0.863 20 30 DCEDMN CCn1nncc1CNC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001051609463 758805313 /nfs/dbraw/zinc/80/53/13/758805313.db2.gz SYTKKFVWFMEIII-OAHLLOKOSA-N 0 1 317.393 0.028 20 30 DCEDMN CCc1nnc([C@@H](C)NCCCNC(=O)CSCC#N)[nH]1 ZINC001154814513 758844427 /nfs/dbraw/zinc/84/44/27/758844427.db2.gz KVQPMWXVYSKVAB-SNVBAGLBSA-N 0 1 310.427 0.781 20 30 DCEDMN CCCC[C@@H](C(N)=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CSCC#N 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C#CCCN1CCN([C@H]2CCN(C(=O)c3ocnc3C)C2)CC1 ZINC001052005129 759106531 /nfs/dbraw/zinc/10/65/31/759106531.db2.gz XFSFFQQZNCAYKD-HNNXBMFYSA-N 0 1 316.405 0.838 20 30 DCEDMN C#CCCN1CC[C@H]1CN(C)C(=O)[C@H]1CC(=O)N(CCOC)C1 ZINC001085628154 759138378 /nfs/dbraw/zinc/13/83/78/759138378.db2.gz RSHIMRKXNAHADM-GJZGRUSLSA-N 0 1 321.421 0.037 20 30 DCEDMN C#CCCN1CCN([C@H]2CCN(C(=O)c3n[nH]cc3F)C2)CC1 ZINC001052080519 759163307 /nfs/dbraw/zinc/16/33/07/759163307.db2.gz ZENPMXDTBFVAIM-ZDUSSCGKSA-N 0 1 319.384 0.404 20 30 DCEDMN C=C(C)CN1CCN([C@H]2CCN(C(=O)c3ccncn3)C2)CC1 ZINC001052100001 759178792 /nfs/dbraw/zinc/17/87/92/759178792.db2.gz WVSKWSCVVSIWMK-HNNXBMFYSA-N 0 1 315.421 0.885 20 30 DCEDMN C=C(C)CN1CCN([C@@H]2CCN(C(=O)Cn3cncn3)C2)CC1 ZINC001052115074 759189622 /nfs/dbraw/zinc/18/96/22/759189622.db2.gz SHJOFAXCZYCJCW-OAHLLOKOSA-N 0 1 318.425 0.073 20 30 DCEDMN Cc1ncc(C(=O)N2C[C@@H](C)OC3(CCN(CC#N)CC3)C2)[nH]1 ZINC001098577690 762692495 /nfs/dbraw/zinc/69/24/95/762692495.db2.gz HPACWNYRNPKSNK-GFCCVEGCSA-N 0 1 317.393 0.937 20 30 DCEDMN C#CCCN1CC[C@@H]1CN(C)C(=O)c1cnc2c(c1)nnn2C ZINC001085727249 759238333 /nfs/dbraw/zinc/23/83/33/759238333.db2.gz SIMXAZFFMGSZCK-CYBMUJFWSA-N 0 1 312.377 0.533 20 30 DCEDMN C=CCOCC(=O)N1C[C@@H](C)[C@@H](CNC(=O)Cc2cnc[nH]2)C1 ZINC001052221921 759249126 /nfs/dbraw/zinc/24/91/26/759249126.db2.gz VRAMJPBYXHXFJR-OLZOCXBDSA-N 0 1 320.393 0.366 20 30 DCEDMN C#CCN1CCC2(CC1)CN(C(=O)[C@]13C[C@H]1COC3)C[C@@H](C)O2 ZINC001098602982 762696859 /nfs/dbraw/zinc/69/68/59/762696859.db2.gz INESHFNBLAXGOK-VKJFTORMSA-N 0 1 318.417 0.738 20 30 DCEDMN Cc1nn[nH]c1C(=O)N1CCC[C@H](Nc2ccncc2C#N)C1 ZINC001057729976 759323586 /nfs/dbraw/zinc/32/35/86/759323586.db2.gz JQYBNKPONUXITA-LBPRGKRZSA-N 0 1 311.349 0.518 20 30 DCEDMN C[C@H](C(N)=O)N1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001052318623 759325785 /nfs/dbraw/zinc/32/57/85/759325785.db2.gz BTWFXPVPVSPPOF-PWSUYJOCSA-N 0 1 303.366 0.344 20 30 DCEDMN C=CCN1CC[C@@H](NC(=O)COCc2cc(C)on2)[C@@H](O)C1 ZINC001099890149 767852097 /nfs/dbraw/zinc/85/20/97/767852097.db2.gz NLQYSIQYJQCKIX-KGLIPLIRSA-N 0 1 309.366 0.237 20 30 DCEDMN CC#CCN1CCO[C@](C)(CNC(=O)CN2CCC(C)(C)C2)C1 ZINC001108216299 759406132 /nfs/dbraw/zinc/40/61/32/759406132.db2.gz WDAUTIIIKUNXFE-GOSISDBHSA-N 0 1 321.465 0.949 20 30 DCEDMN CC#CCN1CCO[C@](C)(CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001108216086 759407715 /nfs/dbraw/zinc/40/77/15/759407715.db2.gz QWRHOKJVAFASLT-NVXWUHKLSA-N 0 1 307.438 0.559 20 30 DCEDMN C#CCCCC(=O)N1C[C@H](C)[C@@H](CNC(=O)c2ncn[nH]2)C1 ZINC001052478420 759440861 /nfs/dbraw/zinc/44/08/61/759440861.db2.gz QBDVCLUKGGTSIH-RYUDHWBXSA-N 0 1 303.366 0.433 20 30 DCEDMN C#CCCCC(=O)N1C[C@H](C)[C@@H](CNC(=O)c2nc[nH]n2)C1 ZINC001052478420 759440865 /nfs/dbraw/zinc/44/08/65/759440865.db2.gz QBDVCLUKGGTSIH-RYUDHWBXSA-N 0 1 303.366 0.433 20 30 DCEDMN C=CCCCN1CCO[C@@](C)(CNC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001108220346 759451019 /nfs/dbraw/zinc/45/10/19/759451019.db2.gz SWDSFXJVNKZIIA-WWGRRREGSA-N 0 1 309.410 0.281 20 30 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ZINC000954500617 686040077 /nfs/dbraw/zinc/04/00/77/686040077.db2.gz WVXKDPVOMWAFST-CJNGLKHVSA-N 0 1 317.433 0.657 20 30 DCEDMN C[C@H]1C[C@H](NC(=O)CN2CCCC2)CCN1C(=O)C#CC1CC1 ZINC000955675373 686475190 /nfs/dbraw/zinc/47/51/90/686475190.db2.gz OOPUDFKSDBXJBN-GOEBONIOSA-N 0 1 317.433 0.991 20 30 DCEDMN C=C1CC(C)(C(=O)N2CC[C@@](C)(NC(=O)c3ncn[nH]3)C2)C1 ZINC000957320945 687030096 /nfs/dbraw/zinc/03/00/96/687030096.db2.gz MGULLUXCLLJCBC-OAHLLOKOSA-N 0 1 303.366 0.882 20 30 DCEDMN C=C1CC(C)(C(=O)N2CC[C@@](C)(NC(=O)c3nc[nH]n3)C2)C1 ZINC000957320945 687030101 /nfs/dbraw/zinc/03/01/01/687030101.db2.gz MGULLUXCLLJCBC-OAHLLOKOSA-N 0 1 303.366 0.882 20 30 DCEDMN C[C@@]1(NC(=O)c2[nH]ncc2F)CCN(C(=O)C#CC2CC2)C1 ZINC000957513921 687075297 /nfs/dbraw/zinc/07/52/97/687075297.db2.gz XXZQKLBCVOUBCX-OAHLLOKOSA-N 0 1 304.325 0.683 20 30 DCEDMN C=CCCN1CCN(C(=O)Cc2nc(C3CC3)nn2C)CC1 ZINC000957727674 687172622 /nfs/dbraw/zinc/17/26/22/687172622.db2.gz OFVURDWXZUVTRY-UHFFFAOYSA-N 0 1 303.410 0.955 20 30 DCEDMN C=C(C)CCN1CCN(C(=O)[C@H]2CCc3nncn3C2)CC1 ZINC000957765925 687179600 /nfs/dbraw/zinc/17/96/00/687179600.db2.gz SQZWLCNYBHHJAC-AWEZNQCLSA-N 0 1 303.410 0.951 20 30 DCEDMN C=C(C)CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000957976921 687284758 /nfs/dbraw/zinc/28/47/58/687284758.db2.gz ZEBLKJFPFSDLLB-RYUDHWBXSA-N 0 1 308.382 0.412 20 30 DCEDMN CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc3cccnc3n2)C1 ZINC000958074537 687328441 /nfs/dbraw/zinc/32/84/41/687328441.db2.gz XYMFFKKKSKPAPT-GOEBONIOSA-N 0 1 324.384 0.676 20 30 DCEDMN C#CCN1C[C@H](O)[C@H](CNC(=O)c2cn(CC)nc2C2CC2)C1 ZINC000958101734 687348155 /nfs/dbraw/zinc/34/81/55/687348155.db2.gz WPKVXXPSTKQXNS-HIFRSBDPSA-N 0 1 316.405 0.436 20 30 DCEDMN CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cn(C)nc2C2CC2)C1 ZINC000958101550 687348353 /nfs/dbraw/zinc/34/83/53/687348353.db2.gz SSYVVSFMCHQNFV-HIFRSBDPSA-N 0 1 316.405 0.343 20 30 DCEDMN C#CCN1C[C@@H](CNC(=O)c2ccc(C(F)F)nc2)[C@H](O)C1 ZINC000958113119 687355010 /nfs/dbraw/zinc/35/50/10/687355010.db2.gz VOJLLIRAECBPSY-DGCLKSJQSA-N 0 1 309.316 0.675 20 30 DCEDMN C#CCN1C[C@H](O)[C@H](CNC(=O)c2ncnc3ccsc32)C1 ZINC000958125867 687364818 /nfs/dbraw/zinc/36/48/18/687364818.db2.gz CXICULGNXLGRKE-PWSUYJOCSA-N 0 1 316.386 0.347 20 30 DCEDMN C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccn3c2CCCC3)C1 ZINC000958145085 687381252 /nfs/dbraw/zinc/38/12/52/687381252.db2.gz GWAXUFFCRMGOND-XJKSGUPXSA-N 0 1 301.390 0.480 20 30 DCEDMN C#CCN1C[C@H](O)[C@H](CNC(=O)c2n[nH]c(CC)c2Cl)C1 ZINC000958151430 687386408 /nfs/dbraw/zinc/38/64/08/687386408.db2.gz IBUXSBUTTZYFFU-KOLCDFICSA-N 0 1 310.785 0.281 20 30 DCEDMN C#CCN1C[C@@H](CNC(=O)c2ccc(OC)c(F)c2)[C@H](O)C1 ZINC000958151040 687386536 /nfs/dbraw/zinc/38/65/36/687386536.db2.gz DCCXZZHGRLKQGL-TZMCWYRMSA-N 0 1 306.337 0.490 20 30 DCEDMN C#CCN1C[C@@H](CNC(=O)c2c(C)noc2C(C)C)[C@H](O)C1 ZINC000958156021 687389393 /nfs/dbraw/zinc/38/93/93/687389393.db2.gz GSOCBSLKVPSIDI-CHWSQXEVSA-N 0 1 305.378 0.762 20 30 DCEDMN CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cn(C)nc2CC)C1 ZINC000958165576 687398080 /nfs/dbraw/zinc/39/80/80/687398080.db2.gz XGJTYEHOETZXNG-DOMZBBRYSA-N 0 1 304.394 0.028 20 30 DCEDMN CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cnc3n[nH]cc3c2)C1 ZINC000958174314 687404751 /nfs/dbraw/zinc/40/47/51/687404751.db2.gz DFKPUGLKSDEFAE-KGLIPLIRSA-N 0 1 313.361 0.004 20 30 DCEDMN CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cnc3cc[nH]c3c2)C1 ZINC000958175425 687405445 /nfs/dbraw/zinc/40/54/45/687405445.db2.gz LRZKULXMUCKPOM-CJNGLKHVSA-N 0 1 312.373 0.609 20 30 DCEDMN CC#CCN1C[C@H](O)[C@H](CNC(=O)c2ccsc2COC)C1 ZINC000958179736 687411978 /nfs/dbraw/zinc/41/19/78/687411978.db2.gz RSKLWIHMRDSLFG-OCCSQVGLSA-N 0 1 322.430 0.940 20 30 DCEDMN Cc1ccc2[nH]nc(C(=O)NC[C@H]3CN(CC#N)C[C@H]3O)c2c1 ZINC000958215333 687447146 /nfs/dbraw/zinc/44/71/46/687447146.db2.gz VZDRSILRDBUBTB-SMDDNHRTSA-N 0 1 313.361 0.417 20 30 DCEDMN C#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc(C)c(OC)c2)C1 ZINC000958239498 687468849 /nfs/dbraw/zinc/46/88/49/687468849.db2.gz PUGGTBMZGBBORF-CABCVRRESA-N 0 1 302.374 0.659 20 30 DCEDMN C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2c(F)cc(C)cc2F)C1 ZINC000958244544 687472983 /nfs/dbraw/zinc/47/29/83/687472983.db2.gz TUHRLVZHRYZGKE-SMDDNHRTSA-N 0 1 308.328 0.929 20 30 DCEDMN C#CCN1C[C@@H](CNC(=O)c2cnc(CC3CC3)s2)[C@H](O)C1 ZINC000958281474 687508080 /nfs/dbraw/zinc/50/80/80/687508080.db2.gz MDNXOBSJYKFPIO-CHWSQXEVSA-N 0 1 319.430 0.751 20 30 DCEDMN CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cc(C(C)C)on2)C1 ZINC000958287743 687514192 /nfs/dbraw/zinc/51/41/92/687514192.db2.gz IDEYNIKDPPFFAP-OCCSQVGLSA-N 0 1 305.378 0.844 20 30 DCEDMN CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2c(C)cc(C)[nH]c2=O)C1 ZINC000958299887 687527425 /nfs/dbraw/zinc/52/74/25/687527425.db2.gz HVDZADKCZXBHHB-UONOGXRCSA-N 0 1 317.389 0.450 20 30 DCEDMN C#CCN1C[C@H](O)[C@H](CNC(=O)c2c(F)ccc(F)c2OC)C1 ZINC000958317050 687543619 /nfs/dbraw/zinc/54/36/19/687543619.db2.gz RGDWOOWBDWWMBU-MFKMUULPSA-N 0 1 324.327 0.629 20 30 DCEDMN CC#CCN1C[C@@H](CNC(=O)c2nc(Cl)cs2)[C@H](O)C1 ZINC000958346129 687566402 /nfs/dbraw/zinc/56/64/02/687566402.db2.gz WGTPDZPLRLYVLM-NXEZZACHSA-N 0 1 313.810 0.842 20 30 DCEDMN C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2c(F)ccc(C)c2F)C1 ZINC000958378385 687601436 /nfs/dbraw/zinc/60/14/36/687601436.db2.gz JVGRGASOIOQXDH-WCQYABFASA-N 0 1 308.328 0.929 20 30 DCEDMN CC#CCN1C[C@@H](CNC(=O)c2ccn(C)c2CC)[C@H](O)C1 ZINC000958394243 687615467 /nfs/dbraw/zinc/61/54/67/687615467.db2.gz BTPUIKYNWDBYCM-CZUORRHYSA-N 0 1 303.406 0.633 20 30 DCEDMN C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccnc(OCC)c2)C1 ZINC000958395552 687617461 /nfs/dbraw/zinc/61/74/61/687617461.db2.gz WBPRCDDTLFPIPL-UONOGXRCSA-N 0 1 303.362 0.136 20 30 DCEDMN CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cnnc3ccccc32)C1 ZINC000958434063 687653829 /nfs/dbraw/zinc/65/38/29/687653829.db2.gz GVJBAFBGYFAGOQ-DYVFJYSZSA-N 0 1 324.384 0.676 20 30 DCEDMN CC#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc3cnccc3n2)C1 ZINC000958434818 687654404 /nfs/dbraw/zinc/65/44/04/687654404.db2.gz KVKAGNNQEOQCKB-PBHICJAKSA-N 0 1 324.384 0.676 20 30 DCEDMN C#CCN1C[C@@H](CNC(=O)c2cccc(OC)c2C)[C@H](O)C1 ZINC000958438175 687656621 /nfs/dbraw/zinc/65/66/21/687656621.db2.gz CILVKHJNZKONOT-UKRRQHHQSA-N 0 1 302.374 0.659 20 30 DCEDMN CC#CCN1C[C@H](O)[C@H](CNC(=O)c2ccn(C(C)C)n2)C1 ZINC000958454081 687671124 /nfs/dbraw/zinc/67/11/24/687671124.db2.gz TWTKZQGLVKYSRF-HIFRSBDPSA-N 0 1 304.394 0.510 20 30 DCEDMN C#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc(-c3cn[nH]c3)cc2)C1 ZINC000958476555 687692055 /nfs/dbraw/zinc/69/20/55/687692055.db2.gz MFVIZNDEHHHXHF-DLBZAZTESA-N 0 1 324.384 0.732 20 30 DCEDMN C#CCN1C[C@H](O)[C@H](CNC(=O)c2c(C)nn(CC)c2C)C1 ZINC000958489824 687702259 /nfs/dbraw/zinc/70/22/59/687702259.db2.gz WEHDAPKAEOOHAM-KGLIPLIRSA-N 0 1 304.394 0.176 20 30 DCEDMN Cc1nc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2cc(C#N)c[nH]2)n[nH]1 ZINC000958504249 687713873 /nfs/dbraw/zinc/71/38/73/687713873.db2.gz APIZGGNXVUDYSO-YABSGUDNSA-N 0 1 311.349 0.173 20 30 DCEDMN C#CCN1C[C@H](O)[C@H](CNC(=O)c2coc(C3CCCC3)n2)C1 ZINC000958550828 687737432 /nfs/dbraw/zinc/73/74/32/687737432.db2.gz GWEWQEDBTXWTAN-HIFRSBDPSA-N 0 1 317.389 0.988 20 30 DCEDMN CC#CCN1C[C@H](O)[C@H](CNC(=O)c2cnn(CC3CC3)c2)C1 ZINC000958578630 687766799 /nfs/dbraw/zinc/76/67/99/687766799.db2.gz XVNXSWCXEFABHQ-ZBFHGGJFSA-N 0 1 316.405 0.339 20 30 DCEDMN C#CCN1C[C@@H](CNC(=O)c2sccc2COC)[C@H](O)C1 ZINC000958588346 687777677 /nfs/dbraw/zinc/77/76/77/687777677.db2.gz SAINULIUIPDWJR-CHWSQXEVSA-N 0 1 308.403 0.550 20 30 DCEDMN CC#CCN1C[C@H](O)[C@@H](CNC(=O)c2cccc(OC)c2)C1 ZINC000958614183 687795902 /nfs/dbraw/zinc/79/59/02/687795902.db2.gz UMTKXQCVQWETOR-HOCLYGCPSA-N 0 1 302.374 0.741 20 30 DCEDMN CC#CCN1C[C@H](O)[C@@H](CNC(=O)c2ncccc2OC)C1 ZINC000958623415 687803686 /nfs/dbraw/zinc/80/36/86/687803686.db2.gz TWAULWAVBBLFFZ-STQMWFEESA-N 0 1 303.362 0.136 20 30 DCEDMN CC#CCN1C[C@H](O)[C@@H](CNC(=O)c2sc(C)nc2C)C1 ZINC000958649018 687831219 /nfs/dbraw/zinc/83/12/19/687831219.db2.gz GCTPARLRJMJBDA-STQMWFEESA-N 0 1 307.419 0.806 20 30 DCEDMN 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/nfs/dbraw/zinc/78/54/63/1157785463.db2.gz MXEKTBYFVWODET-INIZCTEOSA-N 0 1 324.469 0.553 20 30 DCEDMN C[C@H]1CC(N=Nc2ccc(S(N)(=O)=O)cn2)CN1C1CC1 ZINC000753954596 668038872 /nfs/dbraw/zinc/03/88/72/668038872.db2.gz GCMPDMBKLJOXFI-VIFPVBQESA-N 0 1 309.395 0.754 20 30 DCEDMN C[C@@H]1CC(N=Nc2ccc(S(N)(=O)=O)cn2)CN1C1CC1 ZINC000753954594 668038908 /nfs/dbraw/zinc/03/89/08/668038908.db2.gz GCMPDMBKLJOXFI-SECBINFHSA-N 0 1 309.395 0.754 20 30 DCEDMN N#Cc1c(N2CCN(C3CCC3)CC2)cccc1S(N)(=O)=O ZINC000755003755 668054288 /nfs/dbraw/zinc/05/42/88/668054288.db2.gz GNDLHUNTLNACCY-UHFFFAOYSA-N 0 1 320.418 0.880 20 30 DCEDMN Cc1nc[nH]c1C=NNC(=S)NCCCN1CCOCC1 ZINC000755521490 668061965 /nfs/dbraw/zinc/06/19/65/668061965.db2.gz RARIKLARFIPENU-UHFFFAOYSA-N 0 1 310.427 0.238 20 30 DCEDMN CN1CCC[C@H]2[C@@H]1CCN2C(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000874369468 668174752 /nfs/dbraw/zinc/17/47/52/668174752.db2.gz UNFPTDSZMLDELQ-STQMWFEESA-N 0 1 313.361 0.587 20 30 DCEDMN C#CCCN1CCN(c2ccnc(N3CCOCC3)n2)CC1 ZINC000758866749 668198953 /nfs/dbraw/zinc/19/89/53/668198953.db2.gz VGLBYROZUDOGBN-UHFFFAOYSA-N 0 1 301.394 0.459 20 30 DCEDMN C#CC[C@H](COC)NC(=O)N1C[C@@H](C)N(CCOC)[C@@H](C)C1 ZINC000875929143 668399263 /nfs/dbraw/zinc/39/92/63/668399263.db2.gz YNIPMIHKKQBVJE-QLFBSQMISA-N 0 1 311.426 0.775 20 30 DCEDMN CN(CC(=O)NCCNc1ncccc1C#N)[C@@H]1CCSC1 ZINC000764000396 668429770 /nfs/dbraw/zinc/42/97/70/668429770.db2.gz FRCLDOQGKVXLHU-CYBMUJFWSA-N 0 1 319.434 0.919 20 30 DCEDMN Cc1ccc(CNC(=O)NC[C@H]2C[C@H](O)CN2C)cc1C#N ZINC000926873542 668438209 /nfs/dbraw/zinc/43/82/09/668438209.db2.gz MADWXOHQRIQJKA-CABCVRRESA-N 0 1 302.378 0.731 20 30 DCEDMN N#Cc1ccc(O)c(NC(=O)c2coc(S(N)(=O)=O)c2)c1 ZINC000764485921 668449621 /nfs/dbraw/zinc/44/96/21/668449621.db2.gz PGHISLODHVYGJC-UHFFFAOYSA-N 0 1 307.287 0.757 20 30 DCEDMN N#Cc1ccc2c(c1)CCN[C@H]2C(=O)NCCCn1cncn1 ZINC000876718342 668494580 /nfs/dbraw/zinc/49/45/80/668494580.db2.gz ODJNZBBCRVKNEI-OAHLLOKOSA-N 0 1 310.361 0.543 20 30 DCEDMN C[C@@H](NC(=O)[C@H]1NCCc2cc(C#N)ccc21)c1nncn1C ZINC000876727498 668497326 /nfs/dbraw/zinc/49/73/26/668497326.db2.gz MGFIGCCHGYDPDL-YGRLFVJLSA-N 0 1 310.361 0.751 20 30 DCEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)CC1CCN(CC(F)F)CC1 ZINC000876801253 668513290 /nfs/dbraw/zinc/51/32/90/668513290.db2.gz AEHLRLFGQRGXRI-NEPJUHHUSA-N 0 1 300.353 0.581 20 30 DCEDMN CC(C)[C@H]1CNCCN1C(=O)CCNC(=O)C1N=CC=CC1=O ZINC000876998750 668550186 /nfs/dbraw/zinc/55/01/86/668550186.db2.gz QNCUPWSYHFBNKR-IUDBQGPFSA-N 0 1 320.393 0.359 20 30 DCEDMN N#Cc1ccc(N2CCN(C(=O)c3ccc(CN)o3)CC2)cn1 ZINC000877296573 668594052 /nfs/dbraw/zinc/59/40/52/668594052.db2.gz HPWXALRBESJPNU-UHFFFAOYSA-N 0 1 311.345 0.967 20 30 DCEDMN C#CCN1CCC(NC(=O)[C@]2(C3CCCC3)CCNC2=O)CC1 ZINC000928652360 668612475 /nfs/dbraw/zinc/61/24/75/668612475.db2.gz ZVYFRJHZJTYYBG-SFHVURJKSA-N 0 1 317.433 0.897 20 30 DCEDMN C#CCN1CCC(NC(=O)[C@]23CCC(=O)N2CCS3)CC1 ZINC000928659185 668613134 /nfs/dbraw/zinc/61/31/34/668613134.db2.gz HDNPRTOTLVHWKV-OAHLLOKOSA-N 0 1 307.419 0.266 20 30 DCEDMN C#CCN1CCC(NC(=O)Cn2c(=O)cnc3ccccc32)CC1 ZINC000928658372 668613320 /nfs/dbraw/zinc/61/33/20/668613320.db2.gz HQQVUTKIOSWOFP-UHFFFAOYSA-N 0 1 324.384 0.610 20 30 DCEDMN C=CCCC[C@H](NC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)C(=O)[O-] ZINC000929050890 668647653 /nfs/dbraw/zinc/64/76/53/668647653.db2.gz TWTNMQDOCGYDKD-AGIUHOORSA-N 0 1 313.398 0.814 20 30 DCEDMN C=CCCC[C@H](NC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)C(=O)[O-] ZINC000929050890 668647656 /nfs/dbraw/zinc/64/76/56/668647656.db2.gz TWTNMQDOCGYDKD-AGIUHOORSA-N 0 1 313.398 0.814 20 30 DCEDMN CC(=O)[C@](C#N)(CCN1C[C@H](O)[C@@H](CO)C1)c1ccccc1 ZINC000878703646 668760031 /nfs/dbraw/zinc/76/00/31/668760031.db2.gz RCEJJDHDKLYWJN-HYVNUMGLSA-N 0 1 302.374 0.712 20 30 DCEDMN CCOC(=O)CON=C(C(=O)N[C@H](C)C1CCC1)c1ccn[nH]1 ZINC000772432158 668773235 /nfs/dbraw/zinc/77/32/35/668773235.db2.gz DYZLSAUYIJIHQZ-SNVBAGLBSA-N 0 1 322.365 0.998 20 30 DCEDMN C#CC[NH+]1CCC(C(=O)Nc2ncc(C(=O)OCC)[n-]2)CC1 ZINC000774291035 668829423 /nfs/dbraw/zinc/82/94/23/668829423.db2.gz AEPRXZLWQYQWBO-UHFFFAOYSA-N 0 1 304.350 0.870 20 30 DCEDMN C#CC[NH+]1CCC(C(=O)Nc2nc(C(=O)OCC)c[n-]2)CC1 ZINC000774291035 668829425 /nfs/dbraw/zinc/82/94/25/668829425.db2.gz AEPRXZLWQYQWBO-UHFFFAOYSA-N 0 1 304.350 0.870 20 30 DCEDMN COC(=O)[C@@H](C)n1cccc1C=Nn1c(=O)c(C)n[nH]c1=S ZINC000774573823 668838639 /nfs/dbraw/zinc/83/86/39/668838639.db2.gz PMXRSFLFYIYNNM-SECBINFHSA-N 0 1 321.362 0.653 20 30 DCEDMN C[C@@H]1CN(C[C@](O)(C(N)=O)c2ccccc2)C[C@@H](C)N1CC#N ZINC000878772088 668925960 /nfs/dbraw/zinc/92/59/60/668925960.db2.gz FGTUXMIEEFBNDP-CKEIUWERSA-N 0 1 316.405 0.278 20 30 DCEDMN COCCN1CCC[C@@H](NC(=O)[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000780934680 669020316 /nfs/dbraw/zinc/02/03/16/669020316.db2.gz YROQIKZYZKEOPD-CVEARBPZSA-N 0 1 317.389 0.819 20 30 DCEDMN N#Cc1ccc([C@@H](O)C(=O)NC2(c3nn[nH]n3)CCCC2)cc1 ZINC000780944495 669021836 /nfs/dbraw/zinc/02/18/36/669021836.db2.gz BMCKQUBINJPOQP-GFCCVEGCSA-N 0 1 312.333 0.690 20 30 DCEDMN N#Cc1ccc(N2CCN(C[C@H](O)Cn3cccn3)CC2)cc1 ZINC000879586004 669068678 /nfs/dbraw/zinc/06/86/78/669068678.db2.gz VLYRYSWHAISJLF-KRWDZBQOSA-N 0 1 311.389 0.938 20 30 DCEDMN C=CCOC[C@H](NC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C)C(=O)OC ZINC000879849670 669112838 /nfs/dbraw/zinc/11/28/38/669112838.db2.gz ZJIBKEFZKRGVSV-LEWSCRJBSA-N 0 1 321.377 0.936 20 30 DCEDMN Cc1cc(CNC(=O)C(=O)NCc2cc(C#N)ccc2F)n[nH]1 ZINC000805738185 669136312 /nfs/dbraw/zinc/13/63/12/669136312.db2.gz MRTFKDXYMZRCSM-UHFFFAOYSA-N 0 1 315.308 0.662 20 30 DCEDMN C=CCS(=O)(=O)CCNC(=O)NC[C@@H]1CCN(C2CC2)C1 ZINC000783006340 669139054 /nfs/dbraw/zinc/13/90/54/669139054.db2.gz QCRJIAGODGIYPQ-LBPRGKRZSA-N 0 1 315.439 0.371 20 30 DCEDMN CN1CCN(CCC(=O)Nc2sccc2C#N)C[C@H]1CO ZINC000931412319 669198833 /nfs/dbraw/zinc/19/88/33/669198833.db2.gz FSADQLLNVBXPBT-LBPRGKRZSA-N 0 1 308.407 0.557 20 30 DCEDMN N#Cc1ccc([C@H](O)CN(CC(N)=O)C2CCOCC2)cc1 ZINC000880392723 669202587 /nfs/dbraw/zinc/20/25/87/669202587.db2.gz JGASYOVCHORSKD-OAHLLOKOSA-N 0 1 303.362 0.558 20 30 DCEDMN C#CCC1(O)CCN(CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000880478472 669216183 /nfs/dbraw/zinc/21/61/83/669216183.db2.gz AEKOFNDASUWYFO-UHFFFAOYSA-N 0 1 319.405 0.701 20 30 DCEDMN CCN(C[C@H](C)C#N)C(=O)CN1CCC2(CC1)COCCO2 ZINC000880542347 669229042 /nfs/dbraw/zinc/22/90/42/669229042.db2.gz XQNSFINDTOHKPK-CQSZACIVSA-N 0 1 309.410 0.876 20 30 DCEDMN CCN(C[C@@H](C)C#N)C(=O)CN1CCC2(CC1)COCCO2 ZINC000880542346 669229443 /nfs/dbraw/zinc/22/94/43/669229443.db2.gz XQNSFINDTOHKPK-AWEZNQCLSA-N 0 1 309.410 0.876 20 30 DCEDMN CCN(C[C@@H](C)C#N)C(=O)CN1C[C@H](O)CC2(CCOCC2)C1 ZINC000880585637 669243647 /nfs/dbraw/zinc/24/36/47/669243647.db2.gz ZETBQIOABNCYGA-LSDHHAIUSA-N 0 1 323.437 0.858 20 30 DCEDMN CN(C(=O)CN[C@@H]1C(=O)NCC1(C)C)C1(C#N)CCCCC1 ZINC000931666060 669245590 /nfs/dbraw/zinc/24/55/90/669245590.db2.gz YZKATXNDZPBWOS-CYBMUJFWSA-N 0 1 306.410 0.785 20 30 DCEDMN C=CCNC(=O)[C@@H](C)OC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C ZINC000786765847 669328707 /nfs/dbraw/zinc/32/87/07/669328707.db2.gz UDQDGLZCJORIDE-BDAKNGLRSA-N 0 1 324.299 0.923 20 30 DCEDMN C=C(C)C[C@@H](NC(=O)[C@H](C)CN1CCOCC1)C(=O)OCC ZINC000881753153 669376166 /nfs/dbraw/zinc/37/61/66/669376166.db2.gz JAOXAOLSHUXIKK-ZIAGYGMSSA-N 0 1 312.410 0.969 20 30 DCEDMN CCOC(=O)CON=C(C(=O)N[C@H]1[C@@H]2CCC[C@@H]21)c1ccn[nH]1 ZINC000787722020 669392915 /nfs/dbraw/zinc/39/29/15/669392915.db2.gz XNOHISIXTMIRIL-IWIIMEHWSA-N 0 1 320.349 0.608 20 30 DCEDMN COc1nc(C(=O)O[C@@H](C)C(=O)NC2(C#N)CCC2)cc(=O)[nH]1 ZINC000787799839 669402906 /nfs/dbraw/zinc/40/29/06/669402906.db2.gz ZYWOKOKSJKHGSX-QMMMGPOBSA-N 0 1 320.305 0.299 20 30 DCEDMN C#CC1(F)CN(C(=O)[C@H](C)NC(=O)c2n[nH]c3ccccc32)C1 ZINC000881943924 669422739 /nfs/dbraw/zinc/42/27/39/669422739.db2.gz CZCRIVXYOKZZIO-JTQLQIEISA-N 0 1 314.320 0.865 20 30 DCEDMN C=CCCCCNC(=O)C(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC000932958272 669446687 /nfs/dbraw/zinc/44/66/87/669446687.db2.gz YDFWIGRHLOIANB-HNNXBMFYSA-N 0 1 323.437 0.828 20 30 DCEDMN C[C@@H](C(=O)N(C)CCC#N)N1CCC(CN2CCNC2=O)CC1 ZINC000933589104 669506164 /nfs/dbraw/zinc/50/61/64/669506164.db2.gz ALVGOKHLEPAEPN-ZDUSSCGKSA-N 0 1 321.425 0.484 20 30 DCEDMN C=C(Cl)CNC[C@@H]1CN(C(=O)[C@H]2CCCNC2=O)CCO1 ZINC001755003614 1157904908 /nfs/dbraw/zinc/90/49/08/1157904908.db2.gz QDWBCNCUJQALBO-NEPJUHHUSA-N 0 1 315.801 0.082 20 30 DCEDMN C=C(CO)C(=O)N[C@@H](C)CN1CCN(c2ccccc2)CC1 ZINC000791370874 669607000 /nfs/dbraw/zinc/60/70/00/669607000.db2.gz RUBOMKXXBIRDHX-HNNXBMFYSA-N 0 1 303.406 0.862 20 30 DCEDMN C=C(C[NH+](C)C)C(=O)Nc1cc(S(=O)(=O)NC)ccc1[O-] ZINC000794127248 669794517 /nfs/dbraw/zinc/79/45/17/669794517.db2.gz WSKDNKUAFOADSZ-UHFFFAOYSA-N 0 1 313.379 0.357 20 30 DCEDMN C#CCN1CC[C@@H](NC(=O)c2ccoc2CC(N)=O)C[C@H]1C ZINC000947662101 669995070 /nfs/dbraw/zinc/99/50/70/669995070.db2.gz DSRNTTIAINEQGU-VXGBXAGGSA-N 0 1 303.362 0.523 20 30 DCEDMN C#CCN1CC[C@H](NC(=O)c2ccc(N(C)C)nn2)C[C@H]1C ZINC000947939826 670035490 /nfs/dbraw/zinc/03/54/90/670035490.db2.gz KWSGTAGNERSVNN-OLZOCXBDSA-N 0 1 301.394 0.759 20 30 DCEDMN CON(C)C(=O)CCN1CCN(c2ccc(C#N)cn2)CC1 ZINC000799116286 670040715 /nfs/dbraw/zinc/04/07/15/670040715.db2.gz HMLGBODHCUPMTG-UHFFFAOYSA-N 0 1 303.366 0.485 20 30 DCEDMN C#CCN1CC[C@@H](NC(=O)c2noc3c2COCC3)C[C@H]1C ZINC000948065410 670053601 /nfs/dbraw/zinc/05/36/01/670053601.db2.gz JBYHORQGHOMQBI-VXGBXAGGSA-N 0 1 303.362 0.963 20 30 DCEDMN C[C@H](C#N)C(=O)N1CCC(NC(=O)c2[nH]nc3c2CCC3)CC1 ZINC000948109155 670063898 /nfs/dbraw/zinc/06/38/98/670063898.db2.gz APGUCYGBFKZZNB-SNVBAGLBSA-N 0 1 315.377 0.779 20 30 DCEDMN C#CCN1CCC(N(C)C(=O)c2cccc(C(N)=O)n2)CC1 ZINC001006460825 670104322 /nfs/dbraw/zinc/10/43/22/670104322.db2.gz PPTGHCHUUDMSDG-UHFFFAOYSA-N 0 1 300.362 0.350 20 30 DCEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)Cn3nccn3)CC[C@@H]21 ZINC001036728454 670164708 /nfs/dbraw/zinc/16/47/08/670164708.db2.gz VVYTZTOIVPRVJR-STQMWFEESA-N 0 1 309.801 0.953 20 30 DCEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)CCn3cnnn3)CC[C@H]21 ZINC001036852457 670220937 /nfs/dbraw/zinc/22/09/37/670220937.db2.gz DGXZTCWOULWGGT-QWHCGFSZSA-N 0 1 324.816 0.739 20 30 DCEDMN C#CCN1CCC2(CC1)CN(C(=O)c1cn(C)nc1C)CCO2 ZINC000949051628 670247698 /nfs/dbraw/zinc/24/76/98/670247698.db2.gz KTLORMLAYZEKIV-UHFFFAOYSA-N 0 1 316.405 0.669 20 30 DCEDMN C=C(Cl)CN1CC[C@H]2CN(C(=O)Cn3cncn3)CC[C@H]21 ZINC001036886729 670263088 /nfs/dbraw/zinc/26/30/88/670263088.db2.gz GQCGRCQLVBLXPY-QWHCGFSZSA-N 0 1 309.801 0.953 20 30 DCEDMN C#CCN1CCC2(CC1)CN(C(=O)[C@H]1[C@@H]3COC[C@@H]31)CCO2 ZINC000949161964 670277290 /nfs/dbraw/zinc/27/72/90/670277290.db2.gz JSLAXXZTOAAVQB-FICVDOATSA-N 0 1 304.390 0.205 20 30 DCEDMN C=CCN1CCN(CN2CCC[C@@H](Cn3ccnn3)C2)C1=O ZINC000840031010 670287898 /nfs/dbraw/zinc/28/78/98/670287898.db2.gz NVKPRVBVTHJEJE-CQSZACIVSA-N 0 1 304.398 0.871 20 30 DCEDMN CCOC(=O)CON=C(C(=O)N1CCC[C@H]2C[C@H]21)c1cc[nH]n1 ZINC000804291364 670289486 /nfs/dbraw/zinc/28/94/86/670289486.db2.gz OBUIUWGTFSGOQC-CMPLNLGQSA-N 0 1 320.349 0.704 20 30 DCEDMN C#CCCN1CCOC2(CCN(C(=O)c3cnns3)CC2)C1 ZINC000949307719 670308472 /nfs/dbraw/zinc/30/84/72/670308472.db2.gz PLNWHJYVVIPUII-UHFFFAOYSA-N 0 1 320.418 0.868 20 30 DCEDMN C=C(C)CN1CCOC2(CCN(C(=O)C(C)(C)C(N)=O)CC2)C1 ZINC000949388554 670330025 /nfs/dbraw/zinc/33/00/25/670330025.db2.gz FYUHTARUGVNBSK-UHFFFAOYSA-N 0 1 323.437 0.767 20 30 DCEDMN C=C(C)CN1CCOC2(CCN(C(=O)c3n[nH]nc3C)CC2)C1 ZINC000949429750 670340838 /nfs/dbraw/zinc/34/08/38/670340838.db2.gz DPHGCTWPJPWHCE-UHFFFAOYSA-N 0 1 319.409 0.996 20 30 DCEDMN C#C[C@@H](NC(=O)N1CCN(CCO)C(C)(C)C1)[C@@H]1CCCO1 ZINC000807138660 670348688 /nfs/dbraw/zinc/34/86/88/670348688.db2.gz HHXILUXWMRRMIG-KGLIPLIRSA-N 0 1 309.410 0.265 20 30 DCEDMN CN(C)c1c(C=[NH+][N-]c2cccc(F)c2)c(=O)n(C)c(=O)n1C ZINC000807967244 670382917 /nfs/dbraw/zinc/38/29/17/670382917.db2.gz ZEDCBCBWCOIGAC-UHFFFAOYSA-N 0 1 319.340 0.735 20 30 DCEDMN C[C@@H](C#N)C(=O)N1CCC[C@H](NC(=O)C2=NC(=O)N(C)C2)C1 ZINC000951872105 670395919 /nfs/dbraw/zinc/39/59/19/670395919.db2.gz GREZHIXNTPGDCR-UWVGGRQHSA-N 0 1 305.338 0.006 20 30 DCEDMN N=C(N)NN=Cc1cn(-c2ccccc2Br)nn1 ZINC000811637908 670539962 /nfs/dbraw/zinc/53/99/62/670539962.db2.gz BOCRJLUVHJTBGI-UHFFFAOYSA-N 0 1 308.143 0.847 20 30 DCEDMN C#C[C@H](NC(=O)NCc1n[nH]c([C@@H]2CCCO2)n1)[C@H]1CCCO1 ZINC000847354478 670541632 /nfs/dbraw/zinc/54/16/32/670541632.db2.gz AIBLXJCEWRBJMB-TUAOUCFPSA-N 0 1 319.365 0.636 20 30 DCEDMN C#CCONC(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000812781665 670595179 /nfs/dbraw/zinc/59/51/79/670595179.db2.gz DAXQXLLSMUFDKS-UHFFFAOYSA-N 0 1 311.382 0.610 20 30 DCEDMN C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](C)CN1CCOCC1 ZINC000855496972 670721033 /nfs/dbraw/zinc/72/10/33/670721033.db2.gz JPWSUQCUERAEBS-AWEZNQCLSA-N 0 1 324.421 0.758 20 30 DCEDMN C#CCSCCNS(=O)(=O)c1cc(C(=O)OC)no1 ZINC000859010089 671063247 /nfs/dbraw/zinc/06/32/47/671063247.db2.gz SSMQTLWTGCGRDG-UHFFFAOYSA-N 0 1 304.349 0.106 20 30 DCEDMN C#C[C@@](C)(CC)NCC(=O)Nc1c(C(=O)OCC)cnn1C ZINC000852102906 671087879 /nfs/dbraw/zinc/08/78/79/671087879.db2.gz SRHMWVZANFLUIT-HNNXBMFYSA-N 0 1 306.366 0.927 20 30 DCEDMN C#C[C@@](C)(CC)NCC(=O)N[C@H](C(=O)NC)c1ccccc1 ZINC000852100249 671088002 /nfs/dbraw/zinc/08/80/02/671088002.db2.gz GIOWKRCHUBITBD-RDJZCZTQSA-N 0 1 301.390 0.981 20 30 DCEDMN N#CCn1c(C[N@H+]2CC[C@@H](C(=O)[O-])C2)nc2ccccc2c1=O ZINC000819090816 671094070 /nfs/dbraw/zinc/09/40/70/671094070.db2.gz DQLABMYRHWOYQA-LLVKDONJSA-N 0 1 312.329 0.827 20 30 DCEDMN N#CCn1c(C[N@@H+]2CC[C@@H](C(=O)[O-])C2)nc2ccccc2c1=O ZINC000819090816 671094077 /nfs/dbraw/zinc/09/40/77/671094077.db2.gz DQLABMYRHWOYQA-LLVKDONJSA-N 0 1 312.329 0.827 20 30 DCEDMN Cn1cc(NC(=O)N[C@@H]2CNC[C@H]2C#N)c(-c2ccco2)n1 ZINC000859746219 671141237 /nfs/dbraw/zinc/14/12/37/671141237.db2.gz RFKMSGJREVCPPA-NXEZZACHSA-N 0 1 300.322 0.913 20 30 DCEDMN CN1c2ccc(C(=O)N[C@@H]3CNC[C@@H]3C#N)cc2C(C)(C)C1=O ZINC000852827270 671168420 /nfs/dbraw/zinc/16/84/20/671168420.db2.gz FLVLTQSVRISJMV-WCQYABFASA-N 0 1 312.373 0.782 20 30 DCEDMN Cc1ccn(CN2CCN([C@H]3CCOC3)CC2)c(=O)c1C#N ZINC000853552899 671242823 /nfs/dbraw/zinc/24/28/23/671242823.db2.gz KPRRCSMHOGDVCQ-AWEZNQCLSA-N 0 1 302.378 0.392 20 30 DCEDMN C#CCn1ccc(CN(CCOC)C(=O)CN2CCCC2)n1 ZINC000822531892 671328434 /nfs/dbraw/zinc/32/84/34/671328434.db2.gz UOOJFPUGTPAHJW-UHFFFAOYSA-N 0 1 304.394 0.587 20 30 DCEDMN C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CCCc3n[nH]nc32)c1 ZINC000822777223 671342981 /nfs/dbraw/zinc/34/29/81/671342981.db2.gz WUWDMOYKGDGJBS-ZDUSSCGKSA-N 0 1 323.356 0.961 20 30 DCEDMN C#CCO[C@H](C)C(=O)N1CCC(CCN2CCOCC2)CC1 ZINC000822878156 671351674 /nfs/dbraw/zinc/35/16/74/671351674.db2.gz GGTABRFRVAZUDE-OAHLLOKOSA-N 0 1 308.422 0.986 20 30 DCEDMN C=C(C)CONC(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F ZINC000824232957 671424200 /nfs/dbraw/zinc/42/42/00/671424200.db2.gz NXKQZOILJLCASF-SFYZADRCSA-N 0 1 301.286 0.833 20 30 DCEDMN COc1cc(C#N)ccc1C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000824298055 671427111 /nfs/dbraw/zinc/42/71/11/671427111.db2.gz PKYORWIDINMQHC-QWHCGFSZSA-N 0 1 301.346 0.458 20 30 DCEDMN CN(C(=O)Cn1cnc(-c2nn[nH]n2)c1C#N)c1ccccc1 ZINC000825820850 671472577 /nfs/dbraw/zinc/47/25/77/671472577.db2.gz WRSVLTBQDCXNLT-UHFFFAOYSA-N 0 1 308.305 0.598 20 30 DCEDMN Cc1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)c2C#N)cc1 ZINC000826291116 671482893 /nfs/dbraw/zinc/48/28/93/671482893.db2.gz PYYMWLJVPUTFBP-UHFFFAOYSA-N 0 1 308.305 0.882 20 30 DCEDMN CN(C)CC#CCNC(=O)C[C@@H]1C(=O)Nc2c1cccc2F ZINC000827971892 671540885 /nfs/dbraw/zinc/54/08/85/671540885.db2.gz KWXQQOJLUKJDSA-LBPRGKRZSA-N 0 1 303.337 0.933 20 30 DCEDMN C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C[C@H]1C(=O)[O-] ZINC000828440112 671553175 /nfs/dbraw/zinc/55/31/75/671553175.db2.gz KVTVACCMHLLBAY-BXUZGUMPSA-N 0 1 301.346 0.827 20 30 DCEDMN N#CCC(=O)N1CCN(C(=O)c2nc[nH]c2C(F)(F)F)CC1 ZINC000830286605 671621779 /nfs/dbraw/zinc/62/17/79/671621779.db2.gz XHOKQYUNVBSWFK-UHFFFAOYSA-N 0 1 315.255 0.627 20 30 DCEDMN C[C@@H]1Oc2c(cccc2C(=O)N[C@H]2CNC[C@H]2C#N)NC1=O ZINC000834484788 671763428 /nfs/dbraw/zinc/76/34/28/671763428.db2.gz MYQGGQSPGDSELO-SBMIAAHKSA-N 0 1 300.318 0.247 20 30 DCEDMN N#C[C@H]1CNC[C@H]1NC(=O)c1[nH]nc(C2CC2)c1Br ZINC000834494437 671764887 /nfs/dbraw/zinc/76/48/87/671764887.db2.gz NABAMBIHOWBYAP-JGVFFNPUSA-N 0 1 324.182 0.891 20 30 DCEDMN CC(=O)N(CCC(=O)N[C@H]1CNC[C@@H]1C#N)Cc1ccccc1 ZINC000834494446 671765207 /nfs/dbraw/zinc/76/52/07/671765207.db2.gz NAIYMPDENYGVMW-HOTGVXAUSA-N 0 1 314.389 0.653 20 30 DCEDMN CCS(=O)(=O)c1ccc(C(=O)N[C@@H]2CNC[C@@H]2C#N)cc1 ZINC000834495671 671765477 /nfs/dbraw/zinc/76/54/77/671765477.db2.gz XRFDJMYQWWCDNL-WCQYABFASA-N 0 1 307.375 0.322 20 30 DCEDMN N#C[C@H]1CNC[C@H]1NC(=O)c1ccc(N2CCOC2=O)cc1 ZINC000834498836 671765963 /nfs/dbraw/zinc/76/59/63/671765963.db2.gz CADHNAZUZCZCAZ-WCQYABFASA-N 0 1 300.318 0.485 20 30 DCEDMN CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CNC[C@@H]1C#N ZINC000834500782 671766363 /nfs/dbraw/zinc/76/63/63/671766363.db2.gz WYDAIOXPVVJTRB-BAXIYMFHSA-N 0 1 322.434 0.472 20 30 DCEDMN N#C[C@@H]1CNC[C@H]1NC(=O)CSc1ccc2c(c1)OCCO2 ZINC000834507036 671767256 /nfs/dbraw/zinc/76/72/56/671767256.db2.gz XIQMWPLQIGZHHZ-ZYHUDNBSSA-N 0 1 319.386 0.778 20 30 DCEDMN COc1cc(CC(=O)N[C@@H]2CNC[C@H]2C#N)cc(OC)c1OC ZINC000834510602 671767762 /nfs/dbraw/zinc/76/77/62/671767762.db2.gz DETNIPNOEOAKGJ-VXGBXAGGSA-N 0 1 319.361 0.483 20 30 DCEDMN N#C[C@H]1CNC[C@@H]1NC(=O)c1cn(-c2ccc(Cl)cc2)nn1 ZINC000834516314 671768701 /nfs/dbraw/zinc/76/87/01/671768701.db2.gz HUDRNTSAKFQYDJ-CABZTGNLSA-N 0 1 316.752 0.762 20 30 DCEDMN C#CC[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(CCOC)C2)C1 ZINC000834711021 671777303 /nfs/dbraw/zinc/77/73/03/671777303.db2.gz JFDZOGGYQBJYAQ-GJZGRUSLSA-N 0 1 321.421 0.085 20 30 DCEDMN CCc1nc(CNC(=O)NCCNc2ncccc2C#N)n[nH]1 ZINC000837859689 671881668 /nfs/dbraw/zinc/88/16/68/671881668.db2.gz WLRGLGZBGPDSDO-UHFFFAOYSA-N 0 1 314.353 0.545 20 30 DCEDMN N#C[C@@H]1CNC[C@H]1NC(=O)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000843460340 672098944 /nfs/dbraw/zinc/09/89/44/672098944.db2.gz HHYVDBYCVPDKNI-BXUZGUMPSA-N 0 1 323.356 0.184 20 30 DCEDMN CN(CC(=O)N[C@H]1CNC[C@H]1C#N)c1ccccc1[N+](=O)[O-] ZINC000843459813 672099142 /nfs/dbraw/zinc/09/91/42/672099142.db2.gz ILAKOFORVLORGV-MNOVXSKESA-N 0 1 303.322 0.259 20 30 DCEDMN CC(C)S(=O)(=O)c1ccccc1C(=O)N[C@H]1CNC[C@@H]1C#N ZINC000843463167 672099679 /nfs/dbraw/zinc/09/96/79/672099679.db2.gz VCPUWRKWYFMHEU-AAEUAGOBSA-N 0 1 321.402 0.710 20 30 DCEDMN Cc1[nH]nc(C(=O)N2CC[C@](O)(CC#N)C2)c1Br ZINC000844014021 672137399 /nfs/dbraw/zinc/13/73/99/672137399.db2.gz IVYBGPRAKDNUIA-LLVKDONJSA-N 0 1 313.155 0.971 20 30 DCEDMN C[C@@H]1CN(C(=O)CCNC(=O)C2N=CC=CC2=O)C[C@@H](C)N1 ZINC000844164124 672154617 /nfs/dbraw/zinc/15/46/17/672154617.db2.gz GHHBCJDCAMJKKS-ZMHKRQFYSA-N 0 1 306.366 0.112 20 30 DCEDMN C=CCNC(=O)[C@@H](C)N1CCC[C@@H](CNC(=O)COCC)C1 ZINC001752777546 1158169330 /nfs/dbraw/zinc/16/93/30/1158169330.db2.gz UNPWHVBFSAJGSG-KGLIPLIRSA-N 0 1 311.426 0.542 20 30 DCEDMN C=CCN1CCN(CN2C[C@@H](C(=O)OC)[C@H](C3CC3)C2)C1=O ZINC000844764551 672201285 /nfs/dbraw/zinc/20/12/85/672201285.db2.gz JWTBHBHEWJZPFB-UONOGXRCSA-N 0 1 307.394 0.999 20 30 DCEDMN O=C(C#Cc1cccs1)N1CCN(Cc2nnc[nH]2)CC1 ZINC000846526254 672325402 /nfs/dbraw/zinc/32/54/02/672325402.db2.gz FZCFEQVGERIAMD-UHFFFAOYSA-N 0 1 301.375 0.562 20 30 DCEDMN C#CCCCCC(=O)N1CC(CNC(=O)CN2CCCC2)C1 ZINC001745984286 1158239165 /nfs/dbraw/zinc/23/91/65/1158239165.db2.gz VXLFWBBOYHFNSQ-UHFFFAOYSA-N 0 1 305.422 0.850 20 30 DCEDMN CCN1CC[C@H](N(C)C[C@H](O)CN(C)C(=O)C#CC(C)C)C1=O ZINC001755801120 1158276823 /nfs/dbraw/zinc/27/68/23/1158276823.db2.gz VAEWRHXAPHGEHK-GJZGRUSLSA-N 0 1 323.437 0.018 20 30 DCEDMN C=C[C@H](CC)CC(=O)N(C)CCN(C)C(=O)Cc1ncn[nH]1 ZINC001746918522 1158445213 /nfs/dbraw/zinc/44/52/13/1158445213.db2.gz JXPNGNGLNCUZEA-GFCCVEGCSA-N 0 1 307.398 0.866 20 30 DCEDMN C[C@H](C#N)C(=O)N1CC[C@]2(CCN(C(=O)c3ccn[nH]3)C2)C1 ZINC000953109135 685623130 /nfs/dbraw/zinc/62/31/30/685623130.db2.gz YQTUWFGICYNKDI-ABAIWWIYSA-N 0 1 301.350 0.634 20 30 DCEDMN C#CCOc1ccccc1CN(CCO)CCN1CCOCC1 ZINC000092186656 685107842 /nfs/dbraw/zinc/10/78/42/685107842.db2.gz KMJJMGFQECUUNJ-UHFFFAOYSA-N 0 1 318.417 0.825 20 30 DCEDMN CNC(=O)[C@@H](C#N)C(=O)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000133496288 685120037 /nfs/dbraw/zinc/12/00/37/685120037.db2.gz ISKLPBKBLHOISV-LBPRGKRZSA-N 0 1 312.329 0.620 20 30 DCEDMN N#Cc1cc(C(=O)N2CCC[C@H]2CNC(=O)c2ncn[nH]2)c[nH]1 ZINC000955975056 686580933 /nfs/dbraw/zinc/58/09/33/686580933.db2.gz ZLOXJNGBYSQCOO-NSHDSACASA-N 0 1 313.321 0.039 20 30 DCEDMN N#Cc1cc(C(=O)N2CCC[C@H]2CNC(=O)c2nc[nH]n2)c[nH]1 ZINC000955975056 686580936 /nfs/dbraw/zinc/58/09/36/686580936.db2.gz ZLOXJNGBYSQCOO-NSHDSACASA-N 0 1 313.321 0.039 20 30 DCEDMN C#CCCN1CC[C@@H]1CNC(=O)c1cc(=O)[nH]c2ncn(C)c21 ZINC001038340030 694049852 /nfs/dbraw/zinc/04/98/52/694049852.db2.gz OPHXKPSJDAVBOV-LLVKDONJSA-N 0 1 313.361 0.501 20 30 DCEDMN C=C(C)CCN1CC(N(CC)C(=O)C2CC(=O)NC(=O)C2)C1 ZINC000956950517 686918659 /nfs/dbraw/zinc/91/86/59/686918659.db2.gz ANXJKCPBPIFFAG-UHFFFAOYSA-N 0 1 307.394 0.538 20 30 DCEDMN C=C(Cl)CN1CCN(C(=O)[C@H](C)CN2CCOCC2)CC1 ZINC000957667573 687159538 /nfs/dbraw/zinc/15/95/38/687159538.db2.gz GYSRZVSOSIEJQV-CYBMUJFWSA-N 0 1 315.845 0.851 20 30 DCEDMN CC#CCN1C[C@H](O)[C@H](CNC(=O)c2ccnc3[nH]cnc32)C1 ZINC000958105278 687350611 /nfs/dbraw/zinc/35/06/11/687350611.db2.gz HGGNZHJLRBIKPM-YPMHNXCESA-N 0 1 313.361 0.004 20 30 DCEDMN CC#CC[N@H+]1C[C@@H](CNC(=O)c2[nH]nc(CC)c2Cl)[C@H](O)C1 ZINC000958153091 687387745 /nfs/dbraw/zinc/38/77/45/687387745.db2.gz ROWRBCRSJXYYDJ-ZYHUDNBSSA-N 0 1 324.812 0.671 20 30 DCEDMN CC#CCN1C[C@@H](CNC(=O)c2n[nH]c(CC)c2Cl)[C@H](O)C1 ZINC000958153091 687387757 /nfs/dbraw/zinc/38/77/57/687387757.db2.gz ROWRBCRSJXYYDJ-ZYHUDNBSSA-N 0 1 324.812 0.671 20 30 DCEDMN CC#CCN1C[C@@H](O)[C@@H](CNC(=O)c2ccc3nc[nH]c3n2)C1 ZINC000958179377 687410685 /nfs/dbraw/zinc/41/06/85/687410685.db2.gz LVNYBYRCEFOLCM-SMDDNHRTSA-N 0 1 313.361 0.004 20 30 DCEDMN C#CCN1C[C@H](O)[C@H](CNC(=O)c2ccc(OCC=C)cc2)C1 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CCOCCC(=O)N(Cc1c[nH]nn1)C1CCN(CC#N)CC1 ZINC001576578846 1164402147 /nfs/dbraw/zinc/40/21/47/1164402147.db2.gz ICUPUEWXDKOROC-UHFFFAOYSA-N 0 1 320.397 0.548 20 30 DCEDMN CCC[C@]1(CO)CCN(c2cnc(C#N)c(-c3nn[nH]n3)n2)C1 ZINC001577387411 1164682526 /nfs/dbraw/zinc/68/25/26/1164682526.db2.gz GMLAFSCPYOSDCA-AWEZNQCLSA-N 0 1 314.353 0.517 20 30 DCEDMN N#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2cn[nH]n2)cn1 ZINC001577706610 1164769788 /nfs/dbraw/zinc/76/97/88/1164769788.db2.gz MTABYFMVKWCAHN-YABSGUDNSA-N 0 1 309.333 0.050 20 30 DCEDMN C#CCO[C@H](C)C(=O)NC[C@H](NC(=O)CN1CCCC1)C1CC1 ZINC001578147015 1164936218 /nfs/dbraw/zinc/93/62/18/1164936218.db2.gz HVXDDVORBUIHCA-HIFRSBDPSA-N 0 1 321.421 0.132 20 30 DCEDMN CO[C@H](CS(=O)(=O)N[C@@H]1CNC[C@H]1C#N)c1ccccc1 ZINC001578912858 1165158466 /nfs/dbraw/zinc/15/84/66/1165158466.db2.gz NVSOWSHLJHKYTK-MGPQQGTHSA-N 0 1 309.391 0.405 20 30 DCEDMN CO[C@H](CS(=O)(=O)N[C@H]1CNC[C@H]1C#N)c1ccccc1 ZINC001578912856 1165158586 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