smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CN(CC#N)CC[C@H]1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000942159612 717515024 /nfs/dbraw/zinc/51/50/24/717515024.db2.gz GVABFXFDOBMHIA-ZYHUDNBSSA-N -1 3 315.377 1.023 20 30 DDEDHM C[C@H]1CN(CC#N)CC[C@@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000942344986 717626336 /nfs/dbraw/zinc/62/63/36/717626336.db2.gz PJNZEBNJABBENR-JSGCOSHPSA-N -1 3 324.384 1.492 20 30 DDEDHM C=CCCCC[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)OC ZINC001211617505 735363530 /nfs/dbraw/zinc/36/35/30/735363530.db2.gz SSAUVNPXNWPPHK-UHFFFAOYSA-N -1 3 301.368 1.139 20 30 DDEDHM CC(C)C[C@@H](CNc1ccc(C#N)nc1)NC(=O)c1cn[n-]n1 ZINC001105005905 737452170 /nfs/dbraw/zinc/45/21/70/737452170.db2.gz LTLHQILWBHUFMX-ZDUSSCGKSA-N -1 3 313.365 1.328 20 30 DDEDHM Cc1ccc(N)cc1S(=O)(=O)[N-]c1ccc(N)c(C#N)c1 ZINC001213436231 738179304 /nfs/dbraw/zinc/17/93/04/738179304.db2.gz XCMMTQLGYPQOEN-UHFFFAOYSA-N -1 3 302.359 1.832 20 30 DDEDHM CCN(C(=O)c1c(C)nc[n-]c1=O)[C@H]1CCCN(CC#N)CC1 ZINC000998091472 751515373 /nfs/dbraw/zinc/51/53/73/751515373.db2.gz BSIBLFNNWSEBJF-ZDUSSCGKSA-N -1 3 317.393 1.331 20 30 DDEDHM C=CCOCCN1C[C@@H](NC(=O)c2ccccc2[O-])[C@H](OC)C1 ZINC001211859575 740438740 /nfs/dbraw/zinc/43/87/40/740438740.db2.gz LKFOVIOWKVCCQK-GDBMZVCRSA-N -1 3 320.389 1.024 20 30 DDEDHM C=CCCC(=O)N1C[C@@H](C)[C@](C)(CNCc2n[nH]c(=O)[n-]2)C1 ZINC001180846221 742956281 /nfs/dbraw/zinc/95/62/81/742956281.db2.gz DYNPJWLXBBCMRW-IAQYHMDHSA-N -1 3 307.398 1.051 20 30 DDEDHM CCOC(=O)c1ncc(NC(=O)C#Cc2ccc(OC)cc2)[n-]1 ZINC001182046842 743450637 /nfs/dbraw/zinc/45/06/37/743450637.db2.gz VOYPNYQJVWIYBA-UHFFFAOYSA-N -1 3 313.313 1.585 20 30 DDEDHM CCCCCCCCOC(=O)C[N-]S(=O)(=O)CCOCC ZINC001187309322 744546397 /nfs/dbraw/zinc/54/63/97/744546397.db2.gz RWDQHTIJDNWPQJ-UHFFFAOYSA-N -1 3 323.455 1.846 20 30 DDEDHM CCc1cc([N-]S(=O)(=O)c2cc(C#N)ccc2F)ccn1 ZINC001190619435 745259889 /nfs/dbraw/zinc/25/98/89/745259889.db2.gz MCOXOXGDXBARON-UHFFFAOYSA-N -1 3 305.334 1.877 20 30 DDEDHM Cc1nc(C#N)c([N-]C(=O)c2nn(-c3ccccc3)nc2C)o1 ZINC001192537722 745826023 /nfs/dbraw/zinc/82/60/23/745826023.db2.gz USUJFIDTJXGNRQ-UHFFFAOYSA-N -1 3 308.301 1.996 20 30 DDEDHM COC(=O)Cc1ccc([O-])c(NC(=O)c2ccc(C#N)o2)c1 ZINC001192682588 745860589 /nfs/dbraw/zinc/86/05/89/745860589.db2.gz FAKBOTBLCPSXOX-UHFFFAOYSA-N -1 3 300.270 1.825 20 30 DDEDHM COc1nccnc1C(=O)[N-]c1nc2ncccc2cc1C#N ZINC001195077490 746522781 /nfs/dbraw/zinc/52/27/81/746522781.db2.gz APWDIQUJPKSXMH-UHFFFAOYSA-N -1 3 306.285 1.552 20 30 DDEDHM CC(C)C[C@H](NC(=O)c1ccc(Cl)[n-]c1=O)C(=O)NO ZINC001195145408 746538351 /nfs/dbraw/zinc/53/83/51/746538351.db2.gz WYYSCEXGTKAAOP-QMMMGPOBSA-N -1 3 301.730 1.091 20 30 DDEDHM N#Cc1csc(C[N-]S(=O)(=O)c2cnn3ccccc23)n1 ZINC001195418295 746594680 /nfs/dbraw/zinc/59/46/80/746594680.db2.gz QBXRDNDRRCALFC-UHFFFAOYSA-N -1 3 319.371 1.141 20 30 DDEDHM C[C@@H]([N-]S(=O)(=O)CCCC#N)c1nc(C(F)(F)F)no1 ZINC001212217057 746643182 /nfs/dbraw/zinc/64/31/82/746643182.db2.gz LPKOCCDELFUTPE-ZCFIWIBFSA-N -1 3 312.273 1.373 20 30 DDEDHM C[C@H](C[C@H](C)Nc1cccc(F)c1C#N)NC(=O)c1cn[n-]n1 ZINC001089509796 747138974 /nfs/dbraw/zinc/13/89/74/747138974.db2.gz WVVLAEBXLRDHTB-VHSXEESVSA-N -1 3 316.340 1.824 20 30 DDEDHM N#CC1([N-]S(=O)(=O)c2cccc(F)c2Br)CC1 ZINC001201788823 748610192 /nfs/dbraw/zinc/61/01/92/748610192.db2.gz PKQSYCCOYHXQPP-UHFFFAOYSA-N -1 3 319.155 1.923 20 30 DDEDHM C#C[C@H](C)[N-]S(=O)(=O)c1ncccc1OCc1ccccc1 ZINC001201902830 748621278 /nfs/dbraw/zinc/62/12/78/748621278.db2.gz VVMNYZGBLMCDTE-ZDUSSCGKSA-N -1 3 316.382 1.961 20 30 DDEDHM C#CCN1CC[C@@H](N(C)C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC001033243590 749042973 /nfs/dbraw/zinc/04/29/73/749042973.db2.gz HPOBMUCHCHKAKA-CYBMUJFWSA-N -1 3 309.369 1.308 20 30 DDEDHM Cc1nc(NC/C=C\CNC(=O)c2cnc[n-]c2=O)ccc1C#N ZINC001107388301 749891455 /nfs/dbraw/zinc/89/14/55/749891455.db2.gz YAWDKJSZQCMJJY-IHWYPQMZSA-N -1 3 324.344 1.155 20 30 DDEDHM C=C(Cl)CN[C@H]1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])C12CCC2 ZINC001078600584 754218379 /nfs/dbraw/zinc/21/83/79/754218379.db2.gz CMQPHTNACBFDSO-QWRGUYRKSA-N -1 3 324.812 1.807 20 30 DDEDHM C[C@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1Nc1ccncc1C#N ZINC001067037795 755310442 /nfs/dbraw/zinc/31/04/42/755310442.db2.gz MXURQFFAZXNQGF-BLLLJJGKSA-N -1 3 322.368 1.653 20 30 DDEDHM O=C(C#CC1CC1)N1CC2(C1)CCN(C(=O)c1ccccc1[O-])C2 ZINC001019009228 759503121 /nfs/dbraw/zinc/50/31/21/759503121.db2.gz QLTPOXCSOXGLBH-UHFFFAOYSA-N -1 3 324.380 1.480 20 30 DDEDHM C[C@@H]1CN(c2ccncc2C#N)C[C@H]1NC(=O)c1ccccc1[O-] ZINC001041757065 763292835 /nfs/dbraw/zinc/29/28/35/763292835.db2.gz SPDNLYKTNAZDFM-IUODEOHRSA-N -1 3 322.368 1.914 20 30 DDEDHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1Nc1ccncc1C#N ZINC001043064330 764630202 /nfs/dbraw/zinc/63/02/02/764630202.db2.gz MXURQFFAZXNQGF-MLGOLLRUSA-N -1 3 322.368 1.653 20 30 DDEDHM C[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1Nc1nccnc1C#N ZINC001043064507 764630389 /nfs/dbraw/zinc/63/03/89/764630389.db2.gz OPBDVKKFTWCYTA-BXUZGUMPSA-N -1 3 323.356 1.626 20 30 DDEDHM C[C@H](NC(=O)c1ccccc1[O-])[C@H](C)Nc1nccnc1C#N ZINC001112911549 764960050 /nfs/dbraw/zinc/96/00/50/764960050.db2.gz PYFQAJVICOKHOZ-QWRGUYRKSA-N -1 3 311.345 1.673 20 30 DDEDHM C=CCCC(=O)N1C[C@H](NC(=O)c2ccccc2[O-])[C@@H](C)C1 ZINC001071770084 770037230 /nfs/dbraw/zinc/03/72/30/770037230.db2.gz DBTYQKPQBXGZQI-JSGCOSHPSA-N -1 3 302.374 1.935 20 30 DDEDHM CC(=O)O[C@H]1Cc2ccc(N[C@@H]3C(=O)N([O-])C[C@@H]3C)cc2C1 ZINC001171365178 773781300 /nfs/dbraw/zinc/78/13/00/773781300.db2.gz ODFCEQKNAOGBLV-LNHVQRHZSA-N -1 3 304.346 1.365 20 30 DDEDHM C=C1CC(C)(C(=O)NCCCNc2cc[n-]c(=O)c2[N+](=O)[O-])C1 ZINC001094761544 776219788 /nfs/dbraw/zinc/21/97/88/776219788.db2.gz HJGMMQXDQPHEFG-UHFFFAOYSA-N -1 3 320.349 1.970 20 30 DDEDHM CC[C@@H](CNC(=O)c1ccccc1[O-])Nc1cnc(C#N)cn1 ZINC001102981809 778525212 /nfs/dbraw/zinc/52/52/12/778525212.db2.gz SLXZIKVKXBBFKM-NSHDSACASA-N -1 3 311.345 1.674 20 30 DDEDHM Cc1noc([N-]C(=O)C#Cc2ccc(F)cc2F)c1C(N)=O ZINC001178565605 779103766 /nfs/dbraw/zinc/10/37/66/779103766.db2.gz WXVWRGIJYHDPBA-UHFFFAOYSA-N -1 3 305.240 1.350 20 30 DDEDHM C[C@H](CNC(=O)c1ccccc1[O-])CNc1cncc(C#N)n1 ZINC001103879527 779124303 /nfs/dbraw/zinc/12/43/03/779124303.db2.gz HBBWSWCZJRYPSX-NSHDSACASA-N -1 3 311.345 1.532 20 30 DDEDHM Cc1nc(C)c(CC(=O)NCCCCCCNCC#N)c(=O)[n-]1 ZINC001180256078 779678720 /nfs/dbraw/zinc/67/87/20/779678720.db2.gz KOXGAQVTGIBSBK-UHFFFAOYSA-N -1 3 319.409 1.131 20 30 DDEDHM C[C@@H](NC(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1)c1cnn(C)c1 ZINC001154559738 861217486 /nfs/dbraw/zinc/21/74/86/861217486.db2.gz ROVFUOYFXZZHEL-SNVBAGLBSA-N -1 3 321.340 1.624 20 30 DDEDHM C=CCN1C[C@@]2(CCN(C(=O)c3ccccc3[O-])C2)OCC1=O ZINC001269683007 841936331 /nfs/dbraw/zinc/93/63/31/841936331.db2.gz WPLHFKUVHQWYPR-QGZVFWFLSA-N -1 3 316.357 1.022 20 30 DDEDHM Cc1nc2ccccc2c(C(=O)N2CCN(CCC#N)CC2)c1[O-] ZINC001149198927 861485435 /nfs/dbraw/zinc/48/54/35/861485435.db2.gz ZOBOMMDSSIAYIZ-UHFFFAOYSA-N -1 3 324.384 1.920 20 30 DDEDHM N#CCCCN1CC2(CN(Cc3occc3[S-])C2)OCC1=O ZINC001274178109 852008684 /nfs/dbraw/zinc/00/86/84/852008684.db2.gz QWQZEUZRRJKJIT-UHFFFAOYSA-N -1 3 321.402 1.285 20 30 DDEDHM C=C(C)CCC(=O)N(C)CC(C)(C)CNCc1n[nH]c(=O)[n-]1 ZINC001275676716 853549710 /nfs/dbraw/zinc/54/97/10/853549710.db2.gz IMHDLBOHJRHHGL-UHFFFAOYSA-N -1 3 309.414 1.441 20 30 DDEDHM N#Cc1ccc(CNC(=O)c2cccc3c2[N-]C(=O)C3=O)cn1 ZINC001152460442 863370053 /nfs/dbraw/zinc/37/00/53/863370053.db2.gz RDGNAUZPKMEXRV-UHFFFAOYSA-N -1 3 306.281 1.018 20 30 DDEDHM N=C(c1ccccc1N)N([O-])C(=O)c1cnn2cc(F)ccc12 ZINC001156936672 863459792 /nfs/dbraw/zinc/45/97/92/863459792.db2.gz KFGPGUQIIWEBPE-UHFFFAOYSA-N -1 3 313.292 1.913 20 30 DDEDHM CCOC(=O)[C@H]1CC[C@@H](Oc2[n-]c(C)cc(=O)c2C#N)CO1 ZINC001225468611 881851070 /nfs/dbraw/zinc/85/10/70/881851070.db2.gz BGFXBJRLWHJYAA-ZWNOBZJWSA-N -1 3 306.318 1.457 20 30 DDEDHM CCCCN([O-])C(=O)Cc1ccc(S(=O)(=O)NC)cc1 ZINC001332006503 865496824 /nfs/dbraw/zinc/49/68/24/865496824.db2.gz FYWWDFBDQRGVAO-UHFFFAOYSA-N -1 3 300.380 1.155 20 30 DDEDHM N#CCN1CCC[C@H](CNC(=O)Cc2ccc([O-])c(F)c2)C1 ZINC001160873147 866161170 /nfs/dbraw/zinc/16/11/70/866161170.db2.gz MSYSMTWFJNFIOT-CYBMUJFWSA-N -1 3 305.353 1.426 20 30 DDEDHM Cc1ncc(NC(F)(F)c2cnc(Cl)cc2C#N)c(=O)[n-]1 ZINC001162303423 867427291 /nfs/dbraw/zinc/42/72/91/867427291.db2.gz RYCNFOAZPNODCH-SECBINFHSA-N -1 3 311.679 1.644 20 30 DDEDHM Cn1ncc2c1nc(N=NC1CCN(C)c3ccccc31)[n-]c2=O ZINC001322039719 867952803 /nfs/dbraw/zinc/95/28/03/867952803.db2.gz JQOBFBIKZFSMRH-UHFFFAOYSA-N -1 3 323.360 1.725 20 30 DDEDHM C=C1CC(C)(C(=O)NC[C@@](C)(NC(=O)c2cn[n-]n2)C2CC2)C1 ZINC001297569942 870105964 /nfs/dbraw/zinc/10/59/64/870105964.db2.gz WZNWDZLTKZMBCW-MRXNPFEDSA-N -1 3 317.393 1.176 20 30 DDEDHM C=CCCCN(CC)c1nnc(CCc2nnn[n-]2)n1CC ZINC001341282332 871589344 /nfs/dbraw/zinc/58/93/44/871589344.db2.gz MVXTVULCGWFTLG-UHFFFAOYSA-N -1 3 304.402 1.389 20 30 DDEDHM C=CCCCN(CC)c1nnc(CCc2nn[n-]n2)n1CC ZINC001341282332 871589364 /nfs/dbraw/zinc/58/93/64/871589364.db2.gz MVXTVULCGWFTLG-UHFFFAOYSA-N -1 3 304.402 1.389 20 30 DDEDHM C=C(C)C[C@H](NCc1cn(C)nc1Br)C(=O)[O-] ZINC001329243115 871931130 /nfs/dbraw/zinc/93/11/30/871931130.db2.gz OHXZTBPYNLEABK-VIFPVBQESA-N -1 3 302.172 1.692 20 30 DDEDHM COCCOCN1CCC12CN(Cc1ccc(C#N)cc1[O-])C2 ZINC001276494752 872618752 /nfs/dbraw/zinc/61/87/52/872618752.db2.gz YYMNZBWZFYVBGN-UHFFFAOYSA-N -1 3 317.389 1.144 20 30 DDEDHM C=CC(C)(C)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC001347914811 874306545 /nfs/dbraw/zinc/30/65/45/874306545.db2.gz PHGDXCINMGKHSC-UHFFFAOYSA-N -1 3 312.391 1.706 20 30 DDEDHM C=C[C@H](C(=O)N1CCC(Cc2nnn[n-]2)CC1)c1ccccc1 ZINC001348077117 874351301 /nfs/dbraw/zinc/35/13/01/874351301.db2.gz PEPHTADLYNUVKH-HNNXBMFYSA-N -1 3 311.389 1.951 20 30 DDEDHM C=C[C@H](C(=O)N1CCC(Cc2nn[n-]n2)CC1)c1ccccc1 ZINC001348077117 874351315 /nfs/dbraw/zinc/35/13/15/874351315.db2.gz PEPHTADLYNUVKH-HNNXBMFYSA-N -1 3 311.389 1.951 20 30 DDEDHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCCO[C@H]2C=C)c1 ZINC001348706461 874728267 /nfs/dbraw/zinc/72/82/67/874728267.db2.gz GYBHPRRDLVPQGU-HIFRSBDPSA-N -1 3 316.357 1.980 20 30 DDEDHM C=C(C)CCC(=O)N1CC[C@H](NC(=O)c2cnc[n-]c2=O)[C@@H]1C ZINC001287883862 912545612 /nfs/dbraw/zinc/54/56/12/912545612.db2.gz ZJZQOOKXJFOQRP-AAEUAGOBSA-N -1 3 318.377 1.258 20 30 DDEDHM N#Cc1c[n-]n2c1nc(CN1CC[C@H]([C@@H]3CCCO3)C1)cc2=O ZINC001414038901 881167827 /nfs/dbraw/zinc/16/78/27/881167827.db2.gz WLTPIZBQLWNIOI-FZMZJTMJSA-N -1 3 313.361 1.307 20 30 DDEDHM C=C[C@@H](C#CC(C)(C)C)Oc1nc[n-]c(=O)c1CC(=O)OC ZINC001230501283 884520860 /nfs/dbraw/zinc/52/08/60/884520860.db2.gz XTWUFEANCQACAI-NSHDSACASA-N -1 3 304.346 1.881 20 30 DDEDHM CC[C@@H](CO)N(C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC001363358819 886124427 /nfs/dbraw/zinc/12/44/27/886124427.db2.gz SXLMOEHVJFYUAG-LBPRGKRZSA-N -1 3 305.378 1.438 20 30 DDEDHM C[C@@H](C#N)C(=O)N[C@H](CNC(=O)c1ccccc1[O-])C(C)(C)C ZINC001384390315 887378556 /nfs/dbraw/zinc/37/85/56/887378556.db2.gz XKPIGSLOFVFZST-SMDDNHRTSA-N -1 3 317.389 1.813 20 30 DDEDHM CCOC(=O)c1nnc([C@H](C)NCc2cccc(F)c2C#N)[n-]1 ZINC001363919415 887543446 /nfs/dbraw/zinc/54/34/46/887543446.db2.gz NNPYUQHLQZTUHZ-VIFPVBQESA-N -1 3 317.324 1.843 20 30 DDEDHM Cc1nc(C(C)C)oc1C[N-]S(=O)(=O)c1ccc(C#N)cn1 ZINC001365437164 890794667 /nfs/dbraw/zinc/79/46/67/890794667.db2.gz MBKOAHIZUZJQFK-UHFFFAOYSA-N -1 3 320.374 1.852 20 30 DDEDHM C=C[C@H]1C[C@]1([N-]S(=O)(=O)Cc1ccccc1)C(=O)OCC ZINC001252922701 895550645 /nfs/dbraw/zinc/55/06/45/895550645.db2.gz OPRRLOOEDZNCBF-DZGCQCFKSA-N -1 3 309.387 1.614 20 30 DDEDHM C=C[C@@H]1C[C@@]1([N-]S(=O)(=O)c1c(C)noc1C)C(=O)OCC ZINC001258761707 898311053 /nfs/dbraw/zinc/31/10/53/898311053.db2.gz FKSWMMPSPATGPK-MFKMUULPSA-N -1 3 314.363 1.078 20 30 DDEDHM N#CC1([N-]S(=O)(=O)c2ccc(Cl)cc2F)CCOCC1 ZINC001259515164 898710509 /nfs/dbraw/zinc/71/05/09/898710509.db2.gz UMIXMWJIRVRNJL-UHFFFAOYSA-N -1 3 318.757 1.830 20 30 DDEDHM 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DJRONYBRCTUHHF-OAHLLOKOSA-N -1 3 314.451 1.931 20 30 DDEDHM N#Cc1ccc(N2CC(S(=O)(=O)[N-]c3ccccc3)C2)cn1 ZINC000375355755 268105366 /nfs/dbraw/zinc/10/53/66/268105366.db2.gz LASUADYWLWGMMB-UHFFFAOYSA-N -1 3 314.370 1.584 20 30 DDEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](CO)C2CC2)c(Cl)c1 ZINC000352600130 268203778 /nfs/dbraw/zinc/20/37/78/268203778.db2.gz MQEXSJFUGTWYKQ-LLVKDONJSA-N -1 3 314.794 1.508 20 30 DDEDHM N#Cc1ncccc1S(=O)(=O)[N-]C[C@H]1COc2ccccc21 ZINC000341934610 268329982 /nfs/dbraw/zinc/32/99/82/268329982.db2.gz FEHBNPHDOKSAPC-NSHDSACASA-N -1 3 315.354 1.408 20 30 DDEDHM N#Cc1ncccc1S(=O)(=O)[N-]CCOCc1ccccc1 ZINC000390329808 268330538 /nfs/dbraw/zinc/33/05/38/268330538.db2.gz FWTZTOIYRYHWGU-UHFFFAOYSA-N -1 3 317.370 1.448 20 30 DDEDHM CC(C)C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cccnc1C#N ZINC000277196100 279068939 /nfs/dbraw/zinc/06/89/39/279068939.db2.gz PFEXSSDBOIMMID-OCCSQVGLSA-N -1 3 323.418 1.825 20 30 DDEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@H]1CCOC2(CCC2)C1 ZINC000277206512 303218713 /nfs/dbraw/zinc/21/87/13/303218713.db2.gz QGSSFROJWWFXDU-NSHDSACASA-N -1 3 307.375 1.333 20 30 DDEDHM Cc1cc(C#N)cnc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000570987869 308188248 /nfs/dbraw/zinc/18/82/48/308188248.db2.gz APLGFODCTSTBHA-UHFFFAOYSA-N -1 3 305.301 1.694 20 30 DDEDHM Cc1cc(C#N)cnc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000570987869 308188250 /nfs/dbraw/zinc/18/82/50/308188250.db2.gz APLGFODCTSTBHA-UHFFFAOYSA-N -1 3 305.301 1.694 20 30 DDEDHM C[C@@H](CN1CCC(C)CC1)[N-]S(=O)(=O)c1ccc(C#N)o1 ZINC000580785059 308631322 /nfs/dbraw/zinc/63/13/22/308631322.db2.gz NEKUTOFTMIABOI-LBPRGKRZSA-N -1 3 311.407 1.550 20 30 DDEDHM CN1CCC(C#N)(NC(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000526049023 332357499 /nfs/dbraw/zinc/35/74/99/332357499.db2.gz WXPJHUUPESMVFH-UHFFFAOYSA-N -1 3 319.380 1.958 20 30 DDEDHM Cc1nn(C)c(-n2cccn2)c1C([O-])=C(C#N)c1ccccn1 ZINC000188676930 333411653 /nfs/dbraw/zinc/41/16/53/333411653.db2.gz GNZMAUDFVSTFLD-GFCCVEGCSA-N -1 3 306.329 1.799 20 30 DDEDHM CC(=O)Nc1ccc([O-])c(C(=O)NC2(C#N)CCN(C)CC2)c1 ZINC000534359332 333580299 /nfs/dbraw/zinc/58/02/99/333580299.db2.gz IORYIOPMAYHJAQ-UHFFFAOYSA-N -1 3 316.361 1.068 20 30 DDEDHM N#CCCC[C@H](NC(=O)CN1CC(=O)[N-]C1=O)c1ccccc1 ZINC000352222070 336203873 /nfs/dbraw/zinc/20/38/73/336203873.db2.gz XQKFOKGGTNLSIH-ZDUSSCGKSA-N -1 3 314.345 1.090 20 30 DDEDHM C=C(C)COc1cccc(NC(=O)C[C@@H]2NC(=O)[N-]C2=O)c1 ZINC000270670560 337641953 /nfs/dbraw/zinc/64/19/53/337641953.db2.gz FQKFXDHZSQXXMS-LBPRGKRZSA-N -1 3 303.318 1.178 20 30 DDEDHM CC#CCCCC(=O)Nc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000545954864 341148309 /nfs/dbraw/zinc/14/83/09/341148309.db2.gz OQZCAEUIDQUQBC-KRWDZBQOSA-N -1 3 313.357 1.873 20 30 DDEDHM C=C[C@](C)(O)C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000665593885 484955761 /nfs/dbraw/zinc/95/57/61/484955761.db2.gz MYXDFDGIVSSNNE-KRWDZBQOSA-N -1 3 318.373 1.506 20 30 DDEDHM C=CCCNC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000667066256 485402831 /nfs/dbraw/zinc/40/28/31/485402831.db2.gz LKDWDJMONURKGY-UHFFFAOYSA-N -1 3 301.343 1.431 20 30 DDEDHM C=C[C@H](C)NC(=O)c1cc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C ZINC000674962337 485831904 /nfs/dbraw/zinc/83/19/04/485831904.db2.gz WMCOURUJRCHVSD-QMMMGPOBSA-N -1 3 314.345 1.216 20 30 DDEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1cn(C)c(C(C)C)n1 ZINC000414454524 533755449 /nfs/dbraw/zinc/75/54/49/533755449.db2.gz RBHNXNRICZUIQY-GFCCVEGCSA-N -1 3 316.452 1.467 20 30 DDEDHM O=C(CN1CC(=O)[N-]C1=O)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000329960794 534780607 /nfs/dbraw/zinc/78/06/07/534780607.db2.gz ODADSARDSOKQOD-RISCZKNCSA-N -1 3 303.318 1.865 20 30 DDEDHM C#CCN(C)CCCNC(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000491725358 526822651 /nfs/dbraw/zinc/82/26/51/526822651.db2.gz DMTJXVPAMRHREE-UHFFFAOYSA-N -1 3 318.402 1.066 20 30 DDEDHM C=CCOc1cc(OC)ccc1C(=O)Nc1nnc(OC)[n-]1 ZINC000344561762 526831156 /nfs/dbraw/zinc/83/11/56/526831156.db2.gz ZVBXHDGBILFRAF-UHFFFAOYSA-N -1 3 304.306 1.639 20 30 DDEDHM C=CCOc1cc(OC)ccc1C(=O)Nc1n[n-]c(OC)n1 ZINC000344561762 526831160 /nfs/dbraw/zinc/83/11/60/526831160.db2.gz ZVBXHDGBILFRAF-UHFFFAOYSA-N -1 3 304.306 1.639 20 30 DDEDHM C=CCOc1cc(OC)ccc1C(=O)Nc1nc(OC)n[n-]1 ZINC000344561762 526831163 /nfs/dbraw/zinc/83/11/63/526831163.db2.gz ZVBXHDGBILFRAF-UHFFFAOYSA-N -1 3 304.306 1.639 20 30 DDEDHM CC(C)(CC#N)CNC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000457994692 526952345 /nfs/dbraw/zinc/95/23/45/526952345.db2.gz YJPGFTYHBKFLMY-UHFFFAOYSA-N -1 3 315.420 1.082 20 30 DDEDHM C=C[C@H](C)[N-]S(=O)(=O)C(CC(=O)OCC)C(F)(F)F ZINC000451304125 527570018 /nfs/dbraw/zinc/57/00/18/527570018.db2.gz HVUKNJPCNLCWOF-YUMQZZPRSA-N -1 3 303.302 1.364 20 30 DDEDHM CCCC[C@H]([N-]S(=O)(=O)CC1(CC#N)CC1)C(=O)OC ZINC000451402523 528994700 /nfs/dbraw/zinc/99/47/00/528994700.db2.gz WPNZDBJTSOQHAD-NSHDSACASA-N -1 3 302.396 1.331 20 30 DDEDHM N#Cc1ccc(NC(=O)c2sccc2-c2nnn[n-]2)cc1C#N ZINC000737717907 599195588 /nfs/dbraw/zinc/19/55/88/599195588.db2.gz CCRGESOFEJBAEB-UHFFFAOYSA-N -1 3 321.325 1.924 20 30 DDEDHM N#Cc1ccc(NC(=O)c2sccc2-c2nn[n-]n2)cc1C#N ZINC000737717907 599195589 /nfs/dbraw/zinc/19/55/89/599195589.db2.gz CCRGESOFEJBAEB-UHFFFAOYSA-N -1 3 321.325 1.924 20 30 DDEDHM N#CC1(C(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000737675724 599214683 /nfs/dbraw/zinc/21/46/83/599214683.db2.gz QWQFROQAFGXERW-UHFFFAOYSA-N -1 3 312.333 1.056 20 30 DDEDHM CN(CCC#N)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736793370 598666321 /nfs/dbraw/zinc/66/63/21/598666321.db2.gz WLDZNIOEXYPWQW-UHFFFAOYSA-N -1 3 302.363 1.331 20 30 DDEDHM CN(CCC#N)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736793370 598666323 /nfs/dbraw/zinc/66/63/23/598666323.db2.gz WLDZNIOEXYPWQW-UHFFFAOYSA-N -1 3 302.363 1.331 20 30 DDEDHM CC[C@@H](C#N)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736308803 598668558 /nfs/dbraw/zinc/66/85/58/598668558.db2.gz IGKPLWCNAQTHSK-JTQLQIEISA-N -1 3 302.363 1.377 20 30 DDEDHM CC[C@@H](C#N)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736308803 598668560 /nfs/dbraw/zinc/66/85/60/598668560.db2.gz IGKPLWCNAQTHSK-JTQLQIEISA-N -1 3 302.363 1.377 20 30 DDEDHM COCCN(CCC#N)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000821689210 599640329 /nfs/dbraw/zinc/64/03/29/599640329.db2.gz PTKNWICFBFNYDU-UHFFFAOYSA-N -1 3 304.329 1.368 20 30 DDEDHM COCCN(CCC#N)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000821689210 599640328 /nfs/dbraw/zinc/64/03/28/599640328.db2.gz PTKNWICFBFNYDU-UHFFFAOYSA-N -1 3 304.329 1.368 20 30 DDEDHM N#CC(C(=O)CCc1ccc(C(=O)[O-])cc1)C(=O)NC1CC1 ZINC000739074028 600099895 /nfs/dbraw/zinc/09/98/95/600099895.db2.gz GQGWYZSTIDKGOB-CYBMUJFWSA-N -1 3 300.314 1.305 20 30 DDEDHM N#Cc1cccc([C@@H](NCc2ccc(C(N)=O)cc2)C(=O)[O-])c1 ZINC000833075032 601297931 /nfs/dbraw/zinc/29/79/31/601297931.db2.gz GXIQGAHGDUBALB-OAHLLOKOSA-N -1 3 309.325 1.573 20 30 DDEDHM COC(=O)C1CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000831114865 601309333 /nfs/dbraw/zinc/30/93/33/601309333.db2.gz RJUCKSSLALWHNZ-AWEZNQCLSA-N -1 3 302.330 1.569 20 30 DDEDHM CC(C)[C@@H](C#N)N1CCN(CC2CCN(C(=O)[O-])CC2)CC1 ZINC000738762666 602433519 /nfs/dbraw/zinc/43/35/19/602433519.db2.gz VAUDPDWQQFBPPK-OAHLLOKOSA-N -1 3 308.426 1.542 20 30 DDEDHM C#CCN1CCC(C(=O)NC(CC)(CC)CNC(=O)[O-])CC1 ZINC000738462096 602522034 /nfs/dbraw/zinc/52/20/34/602522034.db2.gz WOXPYVPSQFOJME-UHFFFAOYSA-N -1 3 309.410 1.274 20 30 DDEDHM CCN(CCC#N)C(=O)CN(C)C1CCC(NC(=O)[O-])CC1 ZINC000827110946 603784546 /nfs/dbraw/zinc/78/45/46/603784546.db2.gz JBMOAGLCLYCVTH-UHFFFAOYSA-N -1 3 310.398 1.259 20 30 DDEDHM C#CCN1CCC(C(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])CC1 ZINC000833364056 604962901 /nfs/dbraw/zinc/96/29/01/604962901.db2.gz DGLBARZIAHTNKP-WMLDXEAASA-N -1 3 306.406 1.481 20 30 DDEDHM C=C(C)CN1CCC(NC(=O)c2cncc(C(=O)[O-])c2)CC1 ZINC000833369043 605030217 /nfs/dbraw/zinc/03/02/17/605030217.db2.gz AGCGPPFXGKITKI-UHFFFAOYSA-N -1 3 303.362 1.550 20 30 DDEDHM COc1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1C#N ZINC000826200780 607755489 /nfs/dbraw/zinc/75/54/89/607755489.db2.gz IQGODGQYVBVMFJ-UHFFFAOYSA-N -1 3 323.316 1.005 20 30 DDEDHM COc1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1C#N ZINC000826200780 607755490 /nfs/dbraw/zinc/75/54/90/607755490.db2.gz IQGODGQYVBVMFJ-UHFFFAOYSA-N -1 3 323.316 1.005 20 30 DDEDHM N#Cc1cc(CN2C[C@@H]3CCC[C@H](NC(=O)[O-])[C@@H]3C2)ccn1 ZINC000833970188 605454883 /nfs/dbraw/zinc/45/48/83/605454883.db2.gz JQZGMQZXWBXYTK-CFVMTHIKSA-N -1 3 300.362 1.821 20 30 DDEDHM N#C[C@H]1CCC[C@H]1NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000822802387 606301675 /nfs/dbraw/zinc/30/16/75/606301675.db2.gz ZWWUGNYHNFUXFY-DGCLKSJQSA-N -1 3 312.333 1.054 20 30 DDEDHM C[C@H](OC(=O)c1cc(-c2nnn[n-]2)cn1C)c1cccc(C#N)c1 ZINC000820508330 606408488 /nfs/dbraw/zinc/40/84/88/606408488.db2.gz OXOSAAZEHRDVLT-JTQLQIEISA-N -1 3 322.328 1.995 20 30 DDEDHM C[C@H](OC(=O)c1cc(-c2nn[n-]n2)cn1C)c1cccc(C#N)c1 ZINC000820508330 606408490 /nfs/dbraw/zinc/40/84/90/606408490.db2.gz OXOSAAZEHRDVLT-JTQLQIEISA-N -1 3 322.328 1.995 20 30 DDEDHM C=CCN(CC(=O)OCC)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000819740194 606498661 /nfs/dbraw/zinc/49/86/61/606498661.db2.gz SXXCWMPTJHSIGQ-UHFFFAOYSA-N -1 3 321.362 1.120 20 30 DDEDHM C=CCN(CC(=O)OCC)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000819740194 606498663 /nfs/dbraw/zinc/49/86/63/606498663.db2.gz SXXCWMPTJHSIGQ-UHFFFAOYSA-N -1 3 321.362 1.120 20 30 DDEDHM N#CCCn1ccc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)n1 ZINC000822810790 606566864 /nfs/dbraw/zinc/56/68/64/606566864.db2.gz MPHWGNPINCGHNV-UHFFFAOYSA-N -1 3 322.332 1.158 20 30 DDEDHM N#CCCn1ccc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)n1 ZINC000822810790 606566866 /nfs/dbraw/zinc/56/68/66/606566866.db2.gz MPHWGNPINCGHNV-UHFFFAOYSA-N -1 3 322.332 1.158 20 30 DDEDHM CC[C@H](C#N)OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000820841882 606613730 /nfs/dbraw/zinc/61/37/30/606613730.db2.gz HAAKJDJULNBBSE-GFCCVEGCSA-N -1 3 317.374 1.945 20 30 DDEDHM CC[C@H](C#N)OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000820841882 606613731 /nfs/dbraw/zinc/61/37/31/606613731.db2.gz HAAKJDJULNBBSE-GFCCVEGCSA-N -1 3 317.374 1.945 20 30 DDEDHM CC(C)(C)[C@H](C#N)NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819898030 606685488 /nfs/dbraw/zinc/68/54/88/606685488.db2.gz 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COC(=O)c1ccc([O-])c(CN=Nc2oc(C)nc2C#N)c1 ZINC000726737454 699376175 /nfs/dbraw/zinc/37/61/75/699376175.db2.gz RMTAASVLVPSPAP-UHFFFAOYSA-N -1 3 300.274 1.793 20 30 DDEDHM C=C(Cl)C[N-]S(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1 ZINC000736342705 699724268 /nfs/dbraw/zinc/72/42/68/699724268.db2.gz YFIJHDMRGXQYPT-QMMMGPOBSA-N -1 3 322.839 1.976 20 30 DDEDHM CCOC(=O)C1(C/N=C/c2c([O-])c(C)ncc2CO)CCC1 ZINC000740763566 699800763 /nfs/dbraw/zinc/80/07/63/699800763.db2.gz KYQVFMRHSRRJMY-CAOOACKPSA-N -1 3 306.362 1.740 20 30 DDEDHM CN(C)c1ccccc1CNN=C1c2ccc([O-])cc2NC1=O ZINC000794951973 699837197 /nfs/dbraw/zinc/83/71/97/699837197.db2.gz LHMJMXZTIFQMEJ-UHFFFAOYSA-N -1 3 310.357 1.904 20 30 DDEDHM CCCCOc1cc(C=NN2CC(=O)[N-]C2=O)ccc1OC ZINC000744810663 699961829 /nfs/dbraw/zinc/96/18/29/699961829.db2.gz UFZJCUILKDAPKX-UHFFFAOYSA-N -1 3 305.334 1.760 20 30 DDEDHM CC(C)N1CC(=N[N-]S(=O)(=O)Cc2ccccc2)[C@H](C)C1 ZINC000754256525 700492627 /nfs/dbraw/zinc/49/26/27/700492627.db2.gz AYXPLVYCDUXESW-CYBMUJFWSA-N -1 3 309.435 1.822 20 30 DDEDHM NC(=O)CO[N-]C(=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000755611303 700572869 /nfs/dbraw/zinc/57/28/69/700572869.db2.gz RVACECTVWKBRCQ-UHFFFAOYSA-N -1 3 315.354 1.686 20 30 DDEDHM Cc1nn(-c2ccc(Cl)cc2)cc1C=NN1CC(=O)[N-]C1=O ZINC000755612553 700572933 /nfs/dbraw/zinc/57/29/33/700572933.db2.gz WZKMRBSVSVVRJY-UHFFFAOYSA-N -1 3 317.736 1.720 20 30 DDEDHM Cn1ncc2c1nc(NN=Cc1c([O-])cccc1Cl)[nH]c2=O ZINC000755733070 700580119 /nfs/dbraw/zinc/58/01/19/700580119.db2.gz CLROXWWNIDWEMV-UHFFFAOYSA-N -1 3 318.724 1.874 20 30 DDEDHM C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccc[nH]1 ZINC000760404197 700806614 /nfs/dbraw/zinc/80/66/14/700806614.db2.gz CPVJQBBERBBLCM-VIFPVBQESA-N -1 3 320.330 1.834 20 30 DDEDHM C=CCN1CCC(NC(=O)C(=O)[N-]OC2CCCCC2)CC1 ZINC000804891077 701217953 /nfs/dbraw/zinc/21/79/53/701217953.db2.gz GIEUTSNCYKQTEA-UHFFFAOYSA-N -1 3 309.410 1.134 20 30 DDEDHM C#CCCS(=O)(=O)[N-]C(=O)c1cccc(CN2CCCC2)c1 ZINC000810780527 701847125 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O=C(N[C@@H]1CCN([O-])C1=O)c1ccc(-c2ccccc2F)o1 ZINC000816694092 702153315 /nfs/dbraw/zinc/15/33/15/702153315.db2.gz YIKRZCVVDYZZCO-LLVKDONJSA-N -1 3 304.277 1.806 20 30 DDEDHM O=C(COc1cccc2ccccc21)N[C@@H]1CCN([O-])C1=O ZINC000816696358 702156618 /nfs/dbraw/zinc/15/66/18/702156618.db2.gz WVUIBRRPQQOSTP-CYBMUJFWSA-N -1 3 300.314 1.325 20 30 DDEDHM Cc1cnn(-c2ccc(C(=O)N[C@@H]3CCCN([O-])C3=O)cc2)c1 ZINC000816756163 702182718 /nfs/dbraw/zinc/18/27/18/702182718.db2.gz RLISPWBICCNDKH-CQSZACIVSA-N -1 3 314.345 1.291 20 30 DDEDHM O=C(Cn1ccc2ccc(Cl)cc21)N[C@@H]1CCCN([O-])C1=O ZINC000816757191 702183779 /nfs/dbraw/zinc/18/37/79/702183779.db2.gz NJITWVNEXMTJKD-GFCCVEGCSA-N -1 3 321.764 1.791 20 30 DDEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cc2ccc(Cl)cc2[nH]1 ZINC000816757877 702184665 /nfs/dbraw/zinc/18/46/65/702184665.db2.gz CUWRHJDGNPJZHU-JTQLQIEISA-N -1 3 307.737 1.931 20 30 DDEDHM CCc1c(C(=O)N[C@H]2CCCN([O-])C2=O)[nH]c(C)c1C(C)=O ZINC000816758549 702184676 /nfs/dbraw/zinc/18/46/76/702184676.db2.gz 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C=CC[C@@H](CO)C[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000341180220 410919136 /nfs/dbraw/zinc/91/91/36/410919136.db2.gz GGYLQQQPKHFHCT-LLVKDONJSA-N -1 3 314.363 1.366 20 30 DDEDHM CCOC(=O)[C@H]([N-]S(=O)(=O)CCCCC#N)[C@H](C)CC ZINC000360766652 418513149 /nfs/dbraw/zinc/51/31/49/418513149.db2.gz UYVCWUCXFXLKBG-VXGBXAGGSA-N -1 3 304.412 1.577 20 30 DDEDHM N#CCCn1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000193597358 222158400 /nfs/dbraw/zinc/15/84/00/222158400.db2.gz AJOXCRCVJRDNIN-UHFFFAOYSA-N -1 3 302.250 1.058 20 30 DDEDHM CC[C@@]([N-]S(=O)(=O)CCCC#N)(C(=O)OC)c1ccccc1 ZINC000264725192 222335991 /nfs/dbraw/zinc/33/59/91/222335991.db2.gz GFVLAODTOQXNJH-HNNXBMFYSA-N -1 3 324.402 1.688 20 30 DDEDHM Cc1nc(C(=O)[N-]c2nnc(-c3ccccn3)s2)ccc1C#N ZINC000337395082 418619002 /nfs/dbraw/zinc/61/90/02/418619002.db2.gz ISAHCWAKOHIPDB-UHFFFAOYSA-N -1 3 322.353 2.428 20 30 DDEDHM N#Cc1cccc([C@H]2CN(C(=O)c3csc(=O)[n-]3)CCO2)c1 ZINC000376535343 418698691 /nfs/dbraw/zinc/69/86/91/418698691.db2.gz 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DDEDHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)Nc1cccc(CC#N)c1 ZINC000456756212 420538249 /nfs/dbraw/zinc/53/82/49/420538249.db2.gz SMEOGTIAHCUNJL-CYBMUJFWSA-N -1 3 323.418 1.655 20 30 DDEDHM C=C(CC)CNC(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C ZINC000456831222 420550343 /nfs/dbraw/zinc/55/03/43/420550343.db2.gz SXWZJEKRTNXKPF-JTQLQIEISA-N -1 3 315.395 1.041 20 30 DDEDHM C=C(C)CS(=O)(=O)[N-]c1cc(N2CCNC2=O)ccc1F ZINC000451043737 420586536 /nfs/dbraw/zinc/58/65/36/420586536.db2.gz OODFPJDVJIUKLT-UHFFFAOYSA-N -1 3 313.354 1.673 20 30 DDEDHM C=C[C@H](C)O[N-]C(=O)C=Cc1cc2cnn(C(C)C)c2[nH]c1=O ZINC000493460678 420856368 /nfs/dbraw/zinc/85/63/68/420856368.db2.gz IHPCVLZBDUEWQW-MLRMMBSGSA-N -1 3 316.361 1.941 20 30 DDEDHM Cn1cc(/C=C\C(=O)N[C@H]2CCCN([O-])C2=O)c2ccccc21 ZINC000493542938 420877252 /nfs/dbraw/zinc/87/72/52/420877252.db2.gz ARYUZSBSEGKJRE-CKXPSTMWSA-N -1 3 313.357 1.688 20 30 DDEDHM CCOC[C@H](C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000492211170 421214364 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CC[C@@H](C)[C@@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1)C(=O)OC ZINC000357479758 266365993 /nfs/dbraw/zinc/36/59/93/266365993.db2.gz TVBFWFMOAPEQSX-BXUZGUMPSA-N -1 3 324.402 1.565 20 30 DDEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](O)C2CCC2)c1 ZINC000315911153 268098707 /nfs/dbraw/zinc/09/87/07/268098707.db2.gz UTDFBBYDSXPLSM-GFCCVEGCSA-N -1 3 314.794 1.651 20 30 DDEDHM Cn1cc(C(=O)N[C@H]2CCCc3sccc32)c(=O)[n-]c1=O ZINC000329822419 279324481 /nfs/dbraw/zinc/32/44/81/279324481.db2.gz ZCUBUEXNKOZVNF-JTQLQIEISA-N -1 3 305.359 1.930 20 30 DDEDHM CCCCS(=O)(=O)[N-]CC(=O)N(C)c1cccc(C#N)c1 ZINC000090012177 281033545 /nfs/dbraw/zinc/03/35/45/281033545.db2.gz OZNQYWHRPMRIGI-UHFFFAOYSA-N -1 3 309.391 1.241 20 30 DDEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2O)c(Cl)c1 ZINC000183680514 303199095 /nfs/dbraw/zinc/19/90/95/303199095.db2.gz BHHUOXFQVIUBJK-VXGBXAGGSA-N -1 3 314.794 1.793 20 30 DDEDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)c2nccn21 ZINC000579555795 308539562 /nfs/dbraw/zinc/53/95/62/308539562.db2.gz JQTKRBQJTRDHEE-SKDRFNHKSA-N -1 3 320.349 1.878 20 30 DDEDHM N#CC1(CS(=O)(=O)[N-]C[C@H]2Cc3ccccc3O2)CCCC1 ZINC000558550858 331921376 /nfs/dbraw/zinc/92/13/76/331921376.db2.gz XGCYPEOOGSIYLR-CQSZACIVSA-N -1 3 320.414 1.993 20 30 DDEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1cc(C(=O)OC)c(C)o1 ZINC000583420167 332397863 /nfs/dbraw/zinc/39/78/63/332397863.db2.gz XWEONDKFRDKMPH-VIFPVBQESA-N -1 3 300.336 1.345 20 30 DDEDHM C#CCO[N-]C(=O)C[C@@H]1CSCCN1C(=O)OC(C)(C)C ZINC000496279284 333389672 /nfs/dbraw/zinc/38/96/72/333389672.db2.gz XSMCNFPUDJUKEW-LLVKDONJSA-N -1 3 314.407 1.410 20 30 DDEDHM C=CC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC ZINC000340723451 334383400 /nfs/dbraw/zinc/38/34/00/334383400.db2.gz GGFWBTRKBHGTGY-UHFFFAOYSA-N -1 3 319.766 1.600 20 30 DDEDHM N#CCCC[C@@H](NC(=O)CN1CC(=O)[N-]C1=O)c1ccccc1 ZINC000352222066 336203897 /nfs/dbraw/zinc/20/38/97/336203897.db2.gz XQKFOKGGTNLSIH-CYBMUJFWSA-N -1 3 314.345 1.090 20 30 DDEDHM C=C(C)COCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000125747667 340807990 /nfs/dbraw/zinc/80/79/90/340807990.db2.gz QUUSRVNCZFCCBR-UHFFFAOYSA-N -1 3 300.336 1.466 20 30 DDEDHM Cc1nn2c(nnc2SCC#Cc2ccc(F)cc2)[n-]c1=O ZINC000135299164 341236135 /nfs/dbraw/zinc/23/61/35/341236135.db2.gz GWYMQJKUVVXGRF-UHFFFAOYSA-N -1 3 315.333 1.816 20 30 DDEDHM C=CCCCCCNC(=O)c1ccc(S(=O)(=O)[N-]C)nc1 ZINC000566463561 341558860 /nfs/dbraw/zinc/55/88/60/341558860.db2.gz GYBMVIHTXZLRKS-UHFFFAOYSA-N -1 3 311.407 1.466 20 30 DDEDHM C=CCCCCCNC(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000575329747 341793151 /nfs/dbraw/zinc/79/31/51/341793151.db2.gz PWKDGGATPDMHMQ-UHFFFAOYSA-N -1 3 314.407 1.972 20 30 DDEDHM O=C([N-]O)c1cccc([N+](=O)[O-])c1I ZINC000671996712 485215440 /nfs/dbraw/zinc/21/54/40/485215440.db2.gz WVNDINAPZPTXHW-UHFFFAOYSA-N -1 3 308.031 1.318 20 30 DDEDHM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)C(C)C ZINC000070394704 518003053 /nfs/dbraw/zinc/00/30/53/518003053.db2.gz IVFLWDPGRKZTLP-LBPRGKRZSA-N -1 3 314.338 1.173 20 30 DDEDHM Cn1[n-]c([C@H]2CCCN2Cc2ccc(C#N)c(F)c2)nc1=N 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527293696 /nfs/dbraw/zinc/29/36/96/527293696.db2.gz VGNCWZZTGVWFTN-LLVKDONJSA-N -1 3 310.375 1.194 20 30 DDEDHM C#C[C@H](CCC)[N-]S(=O)(=O)c1cc(C(=O)OC)cs1 ZINC000491646570 527375558 /nfs/dbraw/zinc/37/55/58/527375558.db2.gz UAYHZPDMXJYUAG-SNVBAGLBSA-N -1 3 301.389 1.615 20 30 DDEDHM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000452025505 527433980 /nfs/dbraw/zinc/43/39/80/527433980.db2.gz RKARVPOSRGCZII-LBPRGKRZSA-N -1 3 314.794 1.817 20 30 DDEDHM C=CCC[C@@H](CO)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000452033211 527436093 /nfs/dbraw/zinc/43/60/93/527436093.db2.gz YZIJYKCCDBEBPR-VIFPVBQESA-N -1 3 324.324 1.706 20 30 DDEDHM C=CCC[C@@H]([N-]S(=O)(=O)N1CC[C@@H](C)C1)C(=O)OCC ZINC000451999611 527451079 /nfs/dbraw/zinc/45/10/79/527451079.db2.gz UPZGYDNVPVEFQL-VXGBXAGGSA-N -1 3 304.412 1.061 20 30 DDEDHM CC(C)(C#N)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000330491438 527451185 /nfs/dbraw/zinc/45/11/85/527451185.db2.gz NQMAONHGDKUZHF-UHFFFAOYSA-N -1 3 323.374 1.420 20 30 DDEDHM CC(=O)N[C@H](C(=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1)C1CCCC1 ZINC000330126783 527543238 /nfs/dbraw/zinc/54/32/38/527543238.db2.gz IUMSOEAKQNOSOH-NEPJUHHUSA-N -1 3 322.365 1.125 20 30 DDEDHM CCN(C[C@@H](C)C#N)S(=O)(=O)[N-]C(CC)(CC)C(=O)OC ZINC000337102251 528640407 /nfs/dbraw/zinc/64/04/07/528640407.db2.gz WYZWSZJMBYBAJO-NSHDSACASA-N -1 3 319.427 1.034 20 30 DDEDHM CC(C)[C@@H]1C[C@@H](NC(=O)c2cc(=O)[n-]c(N(C)C)n2)CCO1 ZINC000330438360 528754250 /nfs/dbraw/zinc/75/42/50/528754250.db2.gz SCINXSXLWHTFOV-JQWIXIFHSA-N -1 3 308.382 1.756 20 30 DDEDHM CC(C)[C@@](C)(O)C[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000331041111 528878841 /nfs/dbraw/zinc/87/88/41/528878841.db2.gz CMGGRCPKOTYMCU-ZDUSSCGKSA-N -1 3 302.440 1.787 20 30 DDEDHM CCN1CCN([C@H](C)CNC(=O)c2ncc(C)cc2[O-])CC1 ZINC000331120249 529151697 /nfs/dbraw/zinc/15/16/97/529151697.db2.gz AOSGNSSKYVTAIA-CYBMUJFWSA-N -1 3 306.410 1.426 20 30 DDEDHM C#CCSCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000735387797 598856620 /nfs/dbraw/zinc/85/66/20/598856620.db2.gz GKWBPFCKCKGAFJ-UHFFFAOYSA-N -1 3 304.335 1.553 20 30 DDEDHM C#CCSCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000735387797 598856622 /nfs/dbraw/zinc/85/66/22/598856622.db2.gz GKWBPFCKCKGAFJ-UHFFFAOYSA-N -1 3 304.335 1.553 20 30 DDEDHM C[C@@H](CC#N)OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000735963358 598857891 /nfs/dbraw/zinc/85/78/91/598857891.db2.gz FBGXGAIIESVDRV-UWVGGRQHSA-N -1 3 301.306 1.479 20 30 DDEDHM C[C@@H](CC#N)OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000735963358 598857893 /nfs/dbraw/zinc/85/78/93/598857893.db2.gz FBGXGAIIESVDRV-UWVGGRQHSA-N -1 3 301.306 1.479 20 30 DDEDHM C#CCSCCNC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735388051 598888419 /nfs/dbraw/zinc/88/84/19/598888419.db2.gz PZGFCHUOQDUCIY-UHFFFAOYSA-N -1 3 316.390 1.032 20 30 DDEDHM C#CCSCCNC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735388051 598888420 /nfs/dbraw/zinc/88/84/20/598888420.db2.gz PZGFCHUOQDUCIY-UHFFFAOYSA-N -1 3 316.390 1.032 20 30 DDEDHM Cc1nn(C)c(C)c1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737511165 599198004 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CC(C)C[C@H](C#N)NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000735755605 598332698 /nfs/dbraw/zinc/33/26/98/598332698.db2.gz HKYDYEBAQCFSEM-LLVKDONJSA-N -1 3 314.349 1.300 20 30 DDEDHM CC(C)C[C@H](C#N)NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000735755605 598332700 /nfs/dbraw/zinc/33/27/00/598332700.db2.gz HKYDYEBAQCFSEM-LLVKDONJSA-N -1 3 314.349 1.300 20 30 DDEDHM N#Cc1cccc(OCC(=O)Nc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000737730978 598663095 /nfs/dbraw/zinc/66/30/95/598663095.db2.gz UVOPZULPMDNNNH-UHFFFAOYSA-N -1 3 321.300 1.151 20 30 DDEDHM N#Cc1cccc(OCC(=O)Nc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000737730978 598663096 /nfs/dbraw/zinc/66/30/96/598663096.db2.gz UVOPZULPMDNNNH-UHFFFAOYSA-N -1 3 321.300 1.151 20 30 DDEDHM C[C@H](CC#N)N(C)Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000735963595 598755512 /nfs/dbraw/zinc/75/55/12/598755512.db2.gz ICBFYPNZMQHICT-GFCCVEGCSA-N -1 3 322.376 1.922 20 30 DDEDHM C[C@H](CC#N)N(C)Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000735963595 598755514 /nfs/dbraw/zinc/75/55/14/598755514.db2.gz 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/nfs/dbraw/zinc/61/16/14/421611614.db2.gz SJDJMWNJLMIWJN-UHFFFAOYSA-N -1 3 318.337 1.315 20 30 DDEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cnc(C3CC3)o2)s1 ZINC000581411034 421966260 /nfs/dbraw/zinc/96/62/60/421966260.db2.gz YEAMGZXWJQOOIO-UHFFFAOYSA-N -1 3 309.372 1.964 20 30 DDEDHM COC(=O)c1sccc1S(=O)(=O)[N-]CC1(C#N)CC1 ZINC000576332702 422373094 /nfs/dbraw/zinc/37/30/94/422373094.db2.gz KRFNFCCIZHBIKM-UHFFFAOYSA-N -1 3 300.361 1.117 20 30 DDEDHM N#Cc1ccc(C(=O)[N-]c2nnc(C3CCOCC3)s2)nc1 ZINC000576380234 422373443 /nfs/dbraw/zinc/37/34/43/422373443.db2.gz DAKGXYAXRGURJC-UHFFFAOYSA-N -1 3 315.358 1.951 20 30 DDEDHM CC#CC[C@@H](CO)[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000645884253 423227618 /nfs/dbraw/zinc/22/76/18/423227618.db2.gz ZFPCJBZLRGQNBU-JTQLQIEISA-N -1 3 303.330 1.326 20 30 DDEDHM Cn1cc(C([O-])=C(C#N)c2nc(C3CC3)cs2)c(=O)[nH]c1=O ZINC000647377180 424005944 /nfs/dbraw/zinc/00/59/44/424005944.db2.gz VPGBUQDRDZSAII-MRVPVSSYSA-N -1 3 316.342 1.310 20 30 DDEDHM 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533701497 /nfs/dbraw/zinc/70/14/97/533701497.db2.gz RXTFYDNQVQLUGW-JTQLQIEISA-N -1 3 314.338 1.439 20 30 DDEDHM C=CCn1cc(C[N-]S(=O)(=O)Cc2ccc(C)cc2F)nn1 ZINC000570565274 332772809 /nfs/dbraw/zinc/77/28/09/332772809.db2.gz WCBPXSBUMFTIRL-UHFFFAOYSA-N -1 3 324.381 1.531 20 30 DDEDHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]C[C@H](C)C#N ZINC000518620375 332098178 /nfs/dbraw/zinc/09/81/78/332098178.db2.gz IIBBXJPIASKKNH-SSDOTTSWSA-N -1 3 300.336 1.121 20 30 DDEDHM C#CCCCCC(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000119604953 334284707 /nfs/dbraw/zinc/28/47/07/334284707.db2.gz SWRDPXNEUPXLPX-QGZVFWFLSA-N -1 3 313.357 1.873 20 30 DDEDHM COC[C@@](C)(NCc1cccc(OCCCC#N)c1)C(=O)[O-] ZINC000340694195 334354940 /nfs/dbraw/zinc/35/49/40/334354940.db2.gz BJXURFWIUAFEHL-MRXNPFEDSA-N -1 3 306.362 1.948 20 30 DDEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CC23CCOCC3)c(F)c1 ZINC000583244722 337286134 /nfs/dbraw/zinc/28/61/34/337286134.db2.gz ADUHFRLXBRXUFN-ZDUSSCGKSA-N -1 3 310.350 1.545 20 30 DDEDHM CCC[C@@H](C#N)NC(=O)c1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000533182413 337834180 /nfs/dbraw/zinc/83/41/80/337834180.db2.gz VWDWAMKZJZCSQV-BLLLJJGKSA-N -1 3 314.345 1.163 20 30 DDEDHM C[C@H](CCO)CC[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000451627812 533962801 /nfs/dbraw/zinc/96/28/01/533962801.db2.gz YZXCZMXHXPUKHK-JTQLQIEISA-N -1 3 316.810 1.899 20 30 DDEDHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](C#N)C2)s1 ZINC000425189984 534241020 /nfs/dbraw/zinc/24/10/20/534241020.db2.gz POVBKRVWLBRRSA-DTWKUNHWSA-N -1 3 314.388 1.505 20 30 DDEDHM C=CCN(Cc1cc(=O)[n-]c(C2CC2)n1)[C@H]1CCS(=O)(=O)C1 ZINC000459364592 526332467 /nfs/dbraw/zinc/33/24/67/526332467.db2.gz JBQGEQWNFFCBDW-ZDUSSCGKSA-N -1 3 323.418 1.235 20 30 DDEDHM C=CCOc1ccc(C(=O)Nc2nnc(SCCO)[n-]2)cc1 ZINC000343880245 526853881 /nfs/dbraw/zinc/85/38/81/526853881.db2.gz XCMUDGPYORAGLA-UHFFFAOYSA-N -1 3 320.374 1.706 20 30 DDEDHM C=CCOc1ccc(C(=O)Nc2nc(SCCO)n[n-]2)cc1 ZINC000343880245 526853885 /nfs/dbraw/zinc/85/38/85/526853885.db2.gz XCMUDGPYORAGLA-UHFFFAOYSA-N -1 3 320.374 1.706 20 30 DDEDHM C=CCOc1ccc(C(=O)Nc2n[n-]c(SCCO)n2)cc1 ZINC000343880245 526853888 /nfs/dbraw/zinc/85/38/88/526853888.db2.gz XCMUDGPYORAGLA-UHFFFAOYSA-N -1 3 320.374 1.706 20 30 DDEDHM C#CCN1CCC(C(=O)Nc2cccc(C(C)=O)c2[O-])CC1 ZINC000491633372 526932820 /nfs/dbraw/zinc/93/28/20/526932820.db2.gz PXFQAVVXFFQEBF-UHFFFAOYSA-N -1 3 300.358 1.879 20 30 DDEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000451811791 526955424 /nfs/dbraw/zinc/95/54/24/526955424.db2.gz NZEYDESJURJIPW-UHFFFAOYSA-N -1 3 303.409 1.592 20 30 DDEDHM C=CCn1c(=O)[n-]nc1SCc1cccc(C(=O)NC)c1 ZINC000348127095 527334099 /nfs/dbraw/zinc/33/40/99/527334099.db2.gz ZRNAPYALHUXLPY-UHFFFAOYSA-N -1 3 304.375 1.822 20 30 DDEDHM C=C[C@@H](CO)NC(=O)Cc1ccc(Br)cc1[O-] ZINC000356681737 527429547 /nfs/dbraw/zinc/42/95/47/527429547.db2.gz LZDPCKBVUBOOSW-JTQLQIEISA-N -1 3 300.152 1.360 20 30 DDEDHM CC(C)(C#N)CC(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000346416454 527454423 /nfs/dbraw/zinc/45/44/23/527454423.db2.gz RZKWNLXFKRZGNP-UHFFFAOYSA-N -1 3 315.373 1.616 20 30 DDEDHM CC1(C)[C@@H]2CN(C(=O)NCc3nnc(C(F)(F)F)[n-]3)C[C@@H]21 ZINC000330159218 527843203 /nfs/dbraw/zinc/84/32/03/527843203.db2.gz QTLBWPMJPLUWAB-KNVOCYPGSA-N -1 3 303.288 1.825 20 30 DDEDHM CC1(C)[C@@H]2CN(C(=O)NCc3n[n-]c(C(F)(F)F)n3)C[C@@H]21 ZINC000330159218 527843210 /nfs/dbraw/zinc/84/32/10/527843210.db2.gz QTLBWPMJPLUWAB-KNVOCYPGSA-N -1 3 303.288 1.825 20 30 DDEDHM CC1(C)[C@@H]2CN(C(=O)NCc3nc(C(F)(F)F)n[n-]3)C[C@@H]21 ZINC000330159218 527843215 /nfs/dbraw/zinc/84/32/15/527843215.db2.gz QTLBWPMJPLUWAB-KNVOCYPGSA-N -1 3 303.288 1.825 20 30 DDEDHM CCOc1ccc(C#N)cc1[N-]S(=O)(=O)N1CC[C@H](C)C1 ZINC000330723029 528382301 /nfs/dbraw/zinc/38/23/01/528382301.db2.gz GCGFPVIBMOIDSU-NSHDSACASA-N -1 3 309.391 1.955 20 30 DDEDHM C=C(Cl)CNS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735402360 599448402 /nfs/dbraw/zinc/44/84/02/599448402.db2.gz SEJSWIZHIIVJEB-UHFFFAOYSA-N -1 3 313.770 1.039 20 30 DDEDHM C=C(Cl)CNS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735402360 599448404 /nfs/dbraw/zinc/44/84/04/599448404.db2.gz SEJSWIZHIIVJEB-UHFFFAOYSA-N -1 3 313.770 1.039 20 30 DDEDHM C=CCCO[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000735416438 598916067 /nfs/dbraw/zinc/91/60/67/598916067.db2.gz KFDJWXHFEGQGCN-SNVBAGLBSA-N -1 3 312.333 1.658 20 30 DDEDHM C=CCCO[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000735416438 598916069 /nfs/dbraw/zinc/91/60/69/598916069.db2.gz KFDJWXHFEGQGCN-SNVBAGLBSA-N -1 3 312.333 1.658 20 30 DDEDHM Cc1ccc([C@@H](CNC(=O)[C@](C)(C#N)CC(=O)[O-])N(C)C)cc1 ZINC000821069462 597640545 /nfs/dbraw/zinc/64/05/45/597640545.db2.gz CLMPOAIZJUZRGA-PBHICJAKSA-N -1 3 317.389 1.719 20 30 DDEDHM C#CCN1CCC[C@H]1C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735382039 598408226 /nfs/dbraw/zinc/40/82/26/598408226.db2.gz UVAUEGNYSZYMSB-WFASDCNBSA-N -1 3 324.388 1.142 20 30 DDEDHM C=CCOCC(=O)N(CCC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735436957 598817229 /nfs/dbraw/zinc/81/72/29/598817229.db2.gz 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C=CCN1CCC(NC(=O)N2CC[C@H](C)C[C@@H]2C(=O)[O-])CC1 ZINC000908945957 712893873 /nfs/dbraw/zinc/89/38/73/712893873.db2.gz MUMHLBWISPRWJJ-GXTWGEPZSA-N -1 3 309.410 1.532 20 30 DDEDHM C#CCNC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC000921055244 713711073 /nfs/dbraw/zinc/71/10/73/713711073.db2.gz HIXWXGSFUUTVBG-UHFFFAOYSA-N -1 3 305.131 1.654 20 30 DDEDHM C=CCCC[C@H]([N-]S(=O)(=O)c1ccc(C)o1)C(=O)OC ZINC000921384380 713752141 /nfs/dbraw/zinc/75/21/41/713752141.db2.gz NPQLZVGHPVCUHZ-NSHDSACASA-N -1 3 301.364 1.764 20 30 DDEDHM CC#CCN1CC[C@H](NC(=O)c2ncccc2[O-])C(C)(C)C1 ZINC000940701961 716921570 /nfs/dbraw/zinc/92/15/70/716921570.db2.gz AYAANRABCHYMFF-AWEZNQCLSA-N -1 3 301.390 1.641 20 30 DDEDHM C[C@H](C#N)C(=O)N1CCC[C@H](NC(=O)c2ccccc2[O-])CC1 ZINC000964735188 717399146 /nfs/dbraw/zinc/39/91/46/717399146.db2.gz GJZYREMKTCPOFV-OLZOCXBDSA-N -1 3 315.373 1.663 20 30 DDEDHM CCN(C(=O)c1ccccc1[O-])[C@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC000942674700 717814782 /nfs/dbraw/zinc/81/47/82/717814782.db2.gz 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C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(F)c2C#N)c2ncnn21 ZINC000849424312 748824942 /nfs/dbraw/zinc/82/49/42/748824942.db2.gz RLDBACIFAVAPOH-LDYMZIIASA-N -1 3 321.337 1.273 20 30 DDEDHM C#CCN1CCC(N(C)C(=O)c2n[n-]c3ccccc3c2=O)CC1 ZINC001006087862 753579752 /nfs/dbraw/zinc/57/97/52/753579752.db2.gz RGEKSZOSOUBAMF-UHFFFAOYSA-N -1 3 324.384 1.505 20 30 DDEDHM C#CCCCC(=O)NCC1(NC(=O)c2ccccc2[O-])CCC1 ZINC001062866756 753779560 /nfs/dbraw/zinc/77/95/60/753779560.db2.gz SRRHVDVAPYSHNI-UHFFFAOYSA-N -1 3 314.385 1.964 20 30 DDEDHM C=C[C@H](C)[C@@H](C)C(=O)NCC1(NC(=O)c2cn[n-]n2)CCC1 ZINC001064073562 754485120 /nfs/dbraw/zinc/48/51/20/754485120.db2.gz SPGFYJHMESRFJB-WDEREUQCSA-N -1 3 305.382 1.032 20 30 DDEDHM C=C(Cl)CN1CCC(CNC(=O)c2c(C)nc[n-]c2=O)CC1 ZINC001001751683 754491475 /nfs/dbraw/zinc/49/14/75/754491475.db2.gz NCVSPABOVXPNEE-UHFFFAOYSA-N -1 3 324.812 1.685 20 30 DDEDHM C[C@@H](CNc1ncccc1C#N)NC(=O)c1cccc2n[n-]nc21 ZINC001108539361 762633828 /nfs/dbraw/zinc/63/38/28/762633828.db2.gz 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302.240 1.583 20 30 DDEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N(C)[C@@H]1CC[C@H]1OC ZINC001121532694 782554208 /nfs/dbraw/zinc/55/42/08/782554208.db2.gz HGYPZTLCROULAA-VXGBXAGGSA-N -1 3 316.365 1.240 20 30 DDEDHM COC(=O)CCCCS(=O)(=O)Nc1ccc([O-])c(C#N)c1 ZINC001196958637 747021593 /nfs/dbraw/zinc/02/15/93/747021593.db2.gz VHURUKINOMURNJ-UHFFFAOYSA-N -1 3 312.347 1.349 20 30 DDEDHM C=C(C)C(=O)NCCC[N-]S(=O)(=O)c1cccc(Cl)n1 ZINC001198246817 747426323 /nfs/dbraw/zinc/42/63/23/747426323.db2.gz QBZZSMRYAZYATA-UHFFFAOYSA-N -1 3 317.798 1.096 20 30 DDEDHM N#Cc1cccnc1N1CC[C@H](CNC(=O)c2ccccc2[O-])C1 ZINC001061506314 748497039 /nfs/dbraw/zinc/49/70/39/748497039.db2.gz JWUKTEQAOXLWHE-CYBMUJFWSA-N -1 3 322.368 1.915 20 30 DDEDHM C=C[C@](C)(CC)C(=O)N1C[C@@H](NC(=O)c2cn[n-]n2)C(C)(C)C1 ZINC001008312476 752667150 /nfs/dbraw/zinc/66/71/50/752667150.db2.gz IWTBKVPJFZAEGK-MLGOLLRUSA-N -1 3 319.409 1.374 20 30 DDEDHM C#CCN[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1c1ccccc1 ZINC001081110106 756210517 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C=CCn1c(CCc2nnn[n-]2)nnc1N1CC[C@](C)(CC)C1 ZINC001121600534 782586246 /nfs/dbraw/zinc/58/62/46/782586246.db2.gz CAEHDPFPENSPIX-HNNXBMFYSA-N -1 3 316.413 1.389 20 30 DDEDHM C=CCn1c(CCc2nn[n-]n2)nnc1N1CC[C@](C)(CC)C1 ZINC001121600534 782586253 /nfs/dbraw/zinc/58/62/53/782586253.db2.gz CAEHDPFPENSPIX-HNNXBMFYSA-N -1 3 316.413 1.389 20 30 DDEDHM C#C[C@H]1CCCCN1c1nnc(-c2cc(=O)[n-]c(C)n2)n1CC=C ZINC001121606958 782590074 /nfs/dbraw/zinc/59/00/74/782590074.db2.gz GJPOVABDZIBKRD-ZDUSSCGKSA-N -1 3 324.388 1.927 20 30 DDEDHM C#CCN1C[C@@H](NC(=O)c2cc(=O)[n-]c(C3CC3)n2)CC[C@@H]1C ZINC001071591071 769675739 /nfs/dbraw/zinc/67/57/39/769675739.db2.gz LHTXHGBJDQXCGW-AAEUAGOBSA-N -1 3 314.389 1.276 20 30 DDEDHM C#CCCCC(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1C ZINC001071634193 769759921 /nfs/dbraw/zinc/75/99/21/769759921.db2.gz ZAJXPLDRXKHCAC-UKRRQHHQSA-N -1 3 314.385 1.772 20 30 DDEDHM C=CCOC(=O)N[C@H]1CCCN(C(=O)c2cccc(O)c2[O-])C1 ZINC001148218960 773399497 /nfs/dbraw/zinc/39/94/97/773399497.db2.gz 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DDEDHM COC(=O)c1ccc(C(=O)Nc2nc3cc(C#N)ccc3[nH]2)[n-]1 ZINC001149884291 861960197 /nfs/dbraw/zinc/96/01/97/861960197.db2.gz OWEIXSGCPNGDRN-UHFFFAOYSA-N -1 3 309.285 1.802 20 30 DDEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]C[C@@H](O)c2ccccc2)c1 ZINC001190608409 851138820 /nfs/dbraw/zinc/13/88/20/851138820.db2.gz PFDJYUGWLKYQSZ-CQSZACIVSA-N -1 3 320.345 1.709 20 30 DDEDHM C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(C(=O)[O-])s1 ZINC001273718666 851269139 /nfs/dbraw/zinc/26/91/39/851269139.db2.gz HQKRMNDHBHDIIW-CHWSQXEVSA-N -1 3 318.398 1.645 20 30 DDEDHM CCN(CC#N)[C@H](C)CNC(=O)c1nnc2ccccc2c1[O-] ZINC001155559496 862227306 /nfs/dbraw/zinc/22/73/06/862227306.db2.gz RDXASOIVGMKANF-LLVKDONJSA-N -1 3 313.361 1.299 20 30 DDEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ncccc1NCC1CCC1 ZINC001123891640 859458315 /nfs/dbraw/zinc/45/83/15/859458315.db2.gz KQQNJEYLUMCKHN-CYBMUJFWSA-N -1 3 318.377 1.404 20 30 DDEDHM Nc1cc(Cl)c(Cl)cc1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC001141466610 860859828 /nfs/dbraw/zinc/85/98/28/860859828.db2.gz 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C[C@H](CC#N)N(C)CCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820219683 607087074 /nfs/dbraw/zinc/08/70/74/607087074.db2.gz IDMNCAVKGJAPNN-LLVKDONJSA-N -1 3 313.365 1.429 20 30 DDEDHM N#CCCCCOC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000822806472 607112096 /nfs/dbraw/zinc/11/20/96/607112096.db2.gz NTSQXTXFFOZZPG-UHFFFAOYSA-N -1 3 300.322 1.516 20 30 DDEDHM C[C@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)C(F)(F)F ZINC000820555109 607221891 /nfs/dbraw/zinc/22/18/91/607221891.db2.gz GIZQGVXTWXUAIN-BYPYZUCNSA-N -1 3 315.284 1.758 20 30 DDEDHM C[C@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)C(F)(F)F ZINC000820555109 607221892 /nfs/dbraw/zinc/22/18/92/607221892.db2.gz GIZQGVXTWXUAIN-BYPYZUCNSA-N -1 3 315.284 1.758 20 30 DDEDHM C=CCCC(=O)COC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000823888407 608056911 /nfs/dbraw/zinc/05/69/11/608056911.db2.gz LRAXFZYCOLBJAL-UHFFFAOYSA-N -1 3 316.317 1.324 20 30 DDEDHM C=CCCC(=O)COC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000823888407 608056912 /nfs/dbraw/zinc/05/69/12/608056912.db2.gz LRAXFZYCOLBJAL-UHFFFAOYSA-N -1 3 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CC[C@@H](CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)OC ZINC000290414103 409391503 /nfs/dbraw/zinc/39/15/03/409391503.db2.gz MOKSUUSAFWAVIT-LBPRGKRZSA-N -1 3 305.378 1.750 20 30 DDEDHM O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1cc(F)cc2nn[n-]c21 ZINC000328643952 409947351 /nfs/dbraw/zinc/94/73/51/409947351.db2.gz FOJWEKWSLJLKAZ-BMIGLBTASA-N -1 3 320.324 1.740 20 30 DDEDHM O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1cc(F)cc2[n-]nnc21 ZINC000328643952 409947356 /nfs/dbraw/zinc/94/73/56/409947356.db2.gz FOJWEKWSLJLKAZ-BMIGLBTASA-N -1 3 320.324 1.740 20 30 DDEDHM O=C(N[C@@H]1CCO[C@@]2(CCOC2)C1)c1cc(F)cc2n[n-]nc21 ZINC000328643952 409947362 /nfs/dbraw/zinc/94/73/62/409947362.db2.gz FOJWEKWSLJLKAZ-BMIGLBTASA-N -1 3 320.324 1.740 20 30 DDEDHM C=CCSCC[N-]S(=O)(=O)c1csnc1C(=O)OC ZINC000358498134 410479271 /nfs/dbraw/zinc/47/92/71/410479271.db2.gz KFPLWEWPJOWGDU-UHFFFAOYSA-N -1 3 322.433 1.127 20 30 DDEDHM CC(C)(O)CO[N-]C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000299010069 410481657 /nfs/dbraw/zinc/48/16/57/410481657.db2.gz 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318.772 1.315 20 30 DDEDHM N#CCN1CCC(Nc2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000737696661 598426252 /nfs/dbraw/zinc/42/62/52/598426252.db2.gz UEPWPADZCLQULX-UHFFFAOYSA-N -1 3 318.772 1.315 20 30 DDEDHM C#CCOc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000735380046 598493658 /nfs/dbraw/zinc/49/36/58/598493658.db2.gz BGEXRPHCXZAAPL-UHFFFAOYSA-N -1 3 320.312 1.526 20 30 DDEDHM C#CCOc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000735380046 598493659 /nfs/dbraw/zinc/49/36/59/598493659.db2.gz BGEXRPHCXZAAPL-UHFFFAOYSA-N -1 3 320.312 1.526 20 30 DDEDHM N#CCCCCNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000737686905 598748905 /nfs/dbraw/zinc/74/89/05/598748905.db2.gz FKRYSSQIZLBBQG-UHFFFAOYSA-N -1 3 300.322 1.056 20 30 DDEDHM N#CCCCCNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000737686905 598748907 /nfs/dbraw/zinc/74/89/07/598748907.db2.gz FKRYSSQIZLBBQG-UHFFFAOYSA-N -1 3 300.322 1.056 20 30 DDEDHM C#C[C@@H](C)OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000819688837 599625122 /nfs/dbraw/zinc/62/51/22/599625122.db2.gz 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/nfs/dbraw/zinc/97/92/88/607979288.db2.gz YLLBEXSLGVTFCA-UHFFFAOYSA-N -1 3 323.360 1.429 20 30 DDEDHM C=C(C)CN(C)S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823877826 608223152 /nfs/dbraw/zinc/22/31/52/608223152.db2.gz HCNRDCKVJZXXJU-UHFFFAOYSA-N -1 3 307.379 1.204 20 30 DDEDHM C=C(C)CN(C)S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823877826 608223154 /nfs/dbraw/zinc/22/31/54/608223154.db2.gz HCNRDCKVJZXXJU-UHFFFAOYSA-N -1 3 307.379 1.204 20 30 DDEDHM C#CCNC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823850026 608388263 /nfs/dbraw/zinc/38/82/63/608388263.db2.gz HZCHOMWMHRHTBR-UHFFFAOYSA-N -1 3 308.345 1.299 20 30 DDEDHM C#CCNC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823850026 608388264 /nfs/dbraw/zinc/38/82/64/608388264.db2.gz HZCHOMWMHRHTBR-UHFFFAOYSA-N -1 3 308.345 1.299 20 30 DDEDHM C=CCN(Cc1csnn1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823914123 608631526 /nfs/dbraw/zinc/63/15/26/608631526.db2.gz ASDMVGBQPMSEKL-UHFFFAOYSA-N -1 3 313.390 1.906 20 30 DDEDHM C=CCN(Cc1csnn1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914123 608631530 /nfs/dbraw/zinc/63/15/30/608631530.db2.gz ASDMVGBQPMSEKL-UHFFFAOYSA-N -1 3 313.390 1.906 20 30 DDEDHM N#Cc1nccn1Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000826388000 608894846 /nfs/dbraw/zinc/89/48/46/608894846.db2.gz DGMHPFKLZKSADW-UHFFFAOYSA-N -1 3 317.259 1.585 20 30 DDEDHM N#Cc1nccn1Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000826388000 608894848 /nfs/dbraw/zinc/89/48/48/608894848.db2.gz DGMHPFKLZKSADW-UHFFFAOYSA-N -1 3 317.259 1.585 20 30 DDEDHM COc1ccc(C=NN[C@H]2CCO[C@H](C)C2)cc1-c1nnn[n-]1 ZINC000826190967 609519990 /nfs/dbraw/zinc/51/99/90/609519990.db2.gz SCLVKDHXBBRFTF-PWSUYJOCSA-N -1 3 316.365 1.366 20 30 DDEDHM COc1ccc(C=NN[C@H]2CCO[C@H](C)C2)cc1-c1nn[n-]n1 ZINC000826190967 609519993 /nfs/dbraw/zinc/51/99/93/609519993.db2.gz SCLVKDHXBBRFTF-PWSUYJOCSA-N -1 3 316.365 1.366 20 30 DDEDHM C=C[C@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000154176305 696928121 /nfs/dbraw/zinc/92/81/21/696928121.db2.gz SUTVKAXJRPSUKO-JTQLQIEISA-N -1 3 314.382 1.817 20 30 DDEDHM C=C(CC)COC(=O)C[N-]S(=O)(=O)c1c(C)noc1C ZINC000773450897 697761721 /nfs/dbraw/zinc/76/17/21/697761721.db2.gz AUKWLYUADIWHDV-UHFFFAOYSA-N -1 3 302.352 1.079 20 30 DDEDHM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)N(C)C(C)C ZINC000266999852 698519758 /nfs/dbraw/zinc/51/97/58/698519758.db2.gz CNSILRNHFAMQRJ-UHFFFAOYSA-N -1 3 300.355 1.835 20 30 DDEDHM C=C(C)CN1CCC(NC(=O)N[C@](C)(C(=O)[O-])C2CC2)CC1 ZINC000780566171 698532892 /nfs/dbraw/zinc/53/28/92/698532892.db2.gz POOQDFINDPLZPJ-INIZCTEOSA-N -1 3 309.410 1.579 20 30 DDEDHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(C#N)cn2)c1 ZINC000782018213 698674239 /nfs/dbraw/zinc/67/42/39/698674239.db2.gz GTUAJWNAVWDFRE-UHFFFAOYSA-N -1 3 310.313 1.547 20 30 DDEDHM O=c1nc(C=N[O-])ccn1CCOc1ccc([N+](=O)[O-])cc1 ZINC000782331822 698709879 /nfs/dbraw/zinc/70/98/79/698709879.db2.gz YHGURSIFUZQELO-UHFFFAOYSA-N -1 3 304.262 1.039 20 30 DDEDHM N#CC1(NC(=O)COC(=O)c2cc(-c3ccco3)[n-]n2)CCC1 ZINC000784201970 698916177 /nfs/dbraw/zinc/91/61/77/698916177.db2.gz 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ZINC000820214419 607238003 /nfs/dbraw/zinc/23/80/03/607238003.db2.gz AJYOVBAVJFXTDN-UHFFFAOYSA-N -1 3 322.332 1.768 20 30 DDEDHM CC(C)n1nccc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000820214419 607238004 /nfs/dbraw/zinc/23/80/04/607238004.db2.gz AJYOVBAVJFXTDN-UHFFFAOYSA-N -1 3 322.332 1.768 20 30 DDEDHM O=[N+]([O-])c1ccc(N=NCc2ccccc2-c2nnn[n-]2)nc1 ZINC000826499149 607886604 /nfs/dbraw/zinc/88/66/04/607886604.db2.gz XLHRITVJNYMOJD-UHFFFAOYSA-N -1 3 310.277 1.616 20 30 DDEDHM O=[N+]([O-])c1ccc(N=NCc2ccccc2-c2nn[n-]n2)nc1 ZINC000826499149 607886605 /nfs/dbraw/zinc/88/66/05/607886605.db2.gz XLHRITVJNYMOJD-UHFFFAOYSA-N -1 3 310.277 1.616 20 30 DDEDHM CCn1nc(C)c(C=NNCc2ccc(-c3nnn[n-]3)cc2)c1C ZINC000825807322 607889360 /nfs/dbraw/zinc/88/93/60/607889360.db2.gz QBDPFSRQFRWXCA-UHFFFAOYSA-N -1 3 324.392 1.824 20 30 DDEDHM CCn1nc(C)c(C=NNCc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000825807322 607889361 /nfs/dbraw/zinc/88/93/61/607889361.db2.gz QBDPFSRQFRWXCA-UHFFFAOYSA-N -1 3 324.392 1.824 20 30 DDEDHM CCC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1nccn1C ZINC000825027974 607889395 /nfs/dbraw/zinc/88/93/95/607889395.db2.gz AWCOWAXKOMBJCZ-UHFFFAOYSA-N -1 3 310.365 1.504 20 30 DDEDHM CCC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1nccn1C ZINC000825027974 607889396 /nfs/dbraw/zinc/88/93/96/607889396.db2.gz AWCOWAXKOMBJCZ-UHFFFAOYSA-N -1 3 310.365 1.504 20 30 DDEDHM C#CCNC(=S)N(c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000823850017 607966912 /nfs/dbraw/zinc/96/69/12/607966912.db2.gz HEEKQDOHWUVXST-UHFFFAOYSA-N -1 3 300.391 1.589 20 30 DDEDHM C#CCNC(=S)N(c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000823850017 607966913 /nfs/dbraw/zinc/96/69/13/607966913.db2.gz HEEKQDOHWUVXST-UHFFFAOYSA-N -1 3 300.391 1.589 20 30 DDEDHM C=CCN(C1CC1)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823904023 608248684 /nfs/dbraw/zinc/24/86/84/608248684.db2.gz RQMCFUOCSFZNOS-UHFFFAOYSA-N -1 3 323.353 1.345 20 30 DDEDHM CCN(Cc1ccc(-c2nnn[n-]2)cc1OC)C[C@H](C)C#N ZINC000825428197 608356389 /nfs/dbraw/zinc/35/63/89/608356389.db2.gz FGRMLBQKKWGAGQ-LLVKDONJSA-N -1 3 300.366 1.857 20 30 DDEDHM CCN(Cc1ccc(-c2nn[n-]n2)cc1OC)C[C@H](C)C#N ZINC000825428197 608356390 /nfs/dbraw/zinc/35/63/90/608356390.db2.gz FGRMLBQKKWGAGQ-LLVKDONJSA-N -1 3 300.366 1.857 20 30 DDEDHM C=CCCCN(C)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823894632 609233219 /nfs/dbraw/zinc/23/32/19/609233219.db2.gz VGTLSZXJKUFYLC-CYBMUJFWSA-N -1 3 301.350 1.325 20 30 DDEDHM C=CCCCN(C)C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823894632 609233218 /nfs/dbraw/zinc/23/32/18/609233218.db2.gz VGTLSZXJKUFYLC-CYBMUJFWSA-N -1 3 301.350 1.325 20 30 DDEDHM C=C(C)CN(C)C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000823874691 609345801 /nfs/dbraw/zinc/34/58/01/609345801.db2.gz XURFZOXMXNMIFU-NSHDSACASA-N -1 3 301.350 1.669 20 30 DDEDHM C[C@@H](NC(=O)[C@H](C)n1ccc(C=N[O-])nc1=O)c1ccccc1 ZINC000749797526 700185552 /nfs/dbraw/zinc/18/55/52/700185552.db2.gz WKWSHWAMDWSGKK-NEPJUHHUSA-N -1 3 314.345 1.490 20 30 DDEDHM C#CCN(C)CCCNC(=O)N(C)C1(C(=O)[O-])CCCCC1 ZINC000328281524 698746891 /nfs/dbraw/zinc/74/68/91/698746891.db2.gz PQJCZBSRPZRWNW-UHFFFAOYSA-N -1 3 309.410 1.370 20 30 DDEDHM Cc1nn2cccnc2c1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000727954844 699433987 /nfs/dbraw/zinc/43/39/87/699433987.db2.gz MMARZQAABYOKBW-NSHDSACASA-N -1 3 320.312 1.394 20 30 DDEDHM Cc1ccc(NC(=O)[C@H](C)n2ccc(C=N[O-])nc2=O)cc1F ZINC000736302886 699723083 /nfs/dbraw/zinc/72/30/83/699723083.db2.gz URLHQPBFKJFOTE-JTQLQIEISA-N -1 3 318.308 1.699 20 30 DDEDHM COc1ccccc1-c1ncc(C=NN2CC(=O)[N-]C2=O)cn1 ZINC000792940188 699723151 /nfs/dbraw/zinc/72/31/51/699723151.db2.gz BDPZPDCZSDBXAH-UHFFFAOYSA-N -1 3 311.301 1.038 20 30 DDEDHM CCc1cccc(C)c1NC(=O)Cn1ccc(C=N[O-])nc1=O ZINC000736307116 699723380 /nfs/dbraw/zinc/72/33/80/699723380.db2.gz OYRAPPMTPQPQRZ-UHFFFAOYSA-N -1 3 314.345 1.561 20 30 DDEDHM O=c1nc(C=N[O-])ccn1CCOCCOc1ccccc1 ZINC000736307517 699723504 /nfs/dbraw/zinc/72/35/04/699723504.db2.gz WQEIZNZSOHORPT-UHFFFAOYSA-N -1 3 303.318 1.147 20 30 DDEDHM C[C@@H](C(=O)Nc1ccc(Cl)cc1)n1ccc(C=N[O-])nc1=O ZINC000736307306 699723648 /nfs/dbraw/zinc/72/36/48/699723648.db2.gz UBSQWAGIULWQOR-VIFPVBQESA-N -1 3 320.736 1.905 20 30 DDEDHM CSCCCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737184288 699737306 /nfs/dbraw/zinc/73/73/06/699737306.db2.gz WWZFNVPLDTYNDH-UHFFFAOYSA-N -1 3 302.363 1.820 20 30 DDEDHM CSCCCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737184288 699737308 /nfs/dbraw/zinc/73/73/08/699737308.db2.gz WWZFNVPLDTYNDH-UHFFFAOYSA-N -1 3 302.363 1.820 20 30 DDEDHM COc1ccc(CCNN=C2C(=O)Nc3cc([O-])ccc32)cc1 ZINC000737440826 699740332 /nfs/dbraw/zinc/74/03/32/699740332.db2.gz RDWMTXLUXXAKTF-UHFFFAOYSA-N -1 3 311.341 1.889 20 30 DDEDHM NS(=O)(=O)c1ccc(N=NCc2cccc(F)c2[O-])nc1 ZINC000755636145 700574568 /nfs/dbraw/zinc/57/45/68/700574568.db2.gz MINAKGSCCXZJHS-UHFFFAOYSA-N -1 3 310.310 1.020 20 30 DDEDHM [O-]c1ccc(C=NN2C(=S)N=NC2[C@@H]2CCCCO2)nc1 ZINC000755754478 700581741 /nfs/dbraw/zinc/58/17/41/700581741.db2.gz SAJATOGTOOXGAZ-NSHDSACASA-N -1 3 305.363 1.791 20 30 DDEDHM COC[C@@H](C)C=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000755890563 700589896 /nfs/dbraw/zinc/58/98/96/700589896.db2.gz WMUUTESSXWYNMA-JTQLQIEISA-N -1 3 315.351 1.283 20 30 DDEDHM N#CC(C(=O)Nc1ccccc1)=C([O-])c1cc2n(n1)CCCO2 ZINC000763930391 700953752 /nfs/dbraw/zinc/95/37/52/700953752.db2.gz MTUASXFVQPVDJG-LBPRGKRZSA-N -1 3 310.313 1.627 20 30 DDEDHM Cc1ncc(CO)c(C=Nc2cccc(-n3ccnn3)c2)c1[O-] ZINC000767693021 701129464 /nfs/dbraw/zinc/12/94/64/701129464.db2.gz XNARCIAFXBTJIK-UHFFFAOYSA-N -1 3 309.329 1.919 20 30 DDEDHM O=C1CN(N=Cc2ccc(Cl)cc2Br)C(=O)[N-]1 ZINC000769797885 701256570 /nfs/dbraw/zinc/25/65/70/701256570.db2.gz YYPQDRQRTNRMMT-UHFFFAOYSA-N -1 3 316.542 1.988 20 30 DDEDHM O=C(N[C@H]1CCN([O-])C1=O)c1cc(Br)cs1 ZINC000816690870 702150152 /nfs/dbraw/zinc/15/01/52/702150152.db2.gz FKIOOWLVOZYXPB-LURJTMIESA-N -1 3 305.153 1.231 20 30 DDEDHM O=C(N[C@H]1CCN([O-])C1=O)c1cccc(OC2CCCC2)c1 ZINC000816691565 702151524 /nfs/dbraw/zinc/15/15/24/702151524.db2.gz UKYCMFULVBWMPK-AWEZNQCLSA-N -1 3 304.346 1.728 20 30 DDEDHM Cc1oc(-c2ccccc2)nc1C(=O)N[C@H]1CCN([O-])C1=O ZINC000816692995 702152397 /nfs/dbraw/zinc/15/23/97/702152397.db2.gz ZVXHQMSPUZKCKE-NSHDSACASA-N -1 3 301.302 1.370 20 30 DDEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1csc(-c2ccccc2)n1 ZINC000816694105 702153273 /nfs/dbraw/zinc/15/32/73/702153273.db2.gz YKLJGAQGSNYFMW-SNVBAGLBSA-N -1 3 303.343 1.530 20 30 DDEDHM CC(C)(C)Sc1cc(C(=O)N[C@@H]2CCN([O-])C2=O)ccn1 ZINC000816697357 702157613 /nfs/dbraw/zinc/15/76/13/702157613.db2.gz YYYAUFQCIZZTDS-SNVBAGLBSA-N -1 3 309.391 1.692 20 30 DDEDHM O=C(N[C@@H]1CCCN([O-])C1=O)C1(c2ccc(F)cc2F)CCC1 ZINC000816754946 702180316 /nfs/dbraw/zinc/18/03/16/702180316.db2.gz PUXDVLXDFBHBOA-CYBMUJFWSA-N -1 3 324.327 1.883 20 30 DDEDHM O=C(N[C@@H]1CCCN([O-])C1=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000816755964 702181981 /nfs/dbraw/zinc/18/19/81/702181981.db2.gz NARVFZSEQFYMBB-IRUJWGPZSA-N -1 3 310.300 1.565 20 30 DDEDHM O=C(CCc1ccc2[nH]ccc2c1)N[C@@H]1CCCN([O-])C1=O ZINC000816758862 702185310 /nfs/dbraw/zinc/18/53/10/702185310.db2.gz ZCTQLAARXYASOQ-CQSZACIVSA-N -1 3 301.346 1.597 20 30 DDEDHM Cc1cc(C(=O)CCC(=O)N[C@@H]2CCCN([O-])C2=O)c(C)s1 ZINC000816758694 702185499 /nfs/dbraw/zinc/18/54/99/702185499.db2.gz VOSRSJGSXFTHTK-GFCCVEGCSA-N -1 3 324.402 1.824 20 30 DDEDHM C=C(C)CO[N-]C(=O)Nc1nnc(CCCC(=O)OC)s1 ZINC000844542233 703042649 /nfs/dbraw/zinc/04/26/49/703042649.db2.gz NNVMEBKIFMNBHI-UHFFFAOYSA-N -1 3 314.367 1.663 20 30 DDEDHM C=C[C@@H](C)O[N-]C(=O)C(=O)Nc1cc(CN(C)C)ccc1OC ZINC000846151723 703243237 /nfs/dbraw/zinc/24/32/37/703243237.db2.gz FQHUQXSKZFPXFW-LLVKDONJSA-N -1 3 321.377 1.318 20 30 DDEDHM C=C[C@H](C)O[N-]C(=O)CCCNC(=O)c1ccc(OC)cc1 ZINC000846550351 703295872 /nfs/dbraw/zinc/29/58/72/703295872.db2.gz OIKHSQBHVLCKEN-LBPRGKRZSA-N -1 3 306.362 1.828 20 30 DDEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1scnc1C(F)(F)F ZINC000848131667 703510695 /nfs/dbraw/zinc/51/06/95/703510695.db2.gz BXCSVYSLHWNCTH-YFKPBYRVSA-N -1 3 309.269 1.272 20 30 DDEDHM CC(C)(C(=O)N[C@@H]1CCCN([O-])C1=O)c1cc(F)cc(C#N)c1 ZINC000848132139 703511019 /nfs/dbraw/zinc/51/10/19/703511019.db2.gz HXBACXZGFRAUKQ-CYBMUJFWSA-N -1 3 319.336 1.471 20 30 DDEDHM O=C(N[C@H]1CCCN([O-])C1=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000848132900 703511356 /nfs/dbraw/zinc/51/13/56/703511356.db2.gz WLEIPJLQKLJMER-XQQFMLRXSA-N -1 3 308.765 1.940 20 30 DDEDHM C#CCC1(C(=O)NCc2nnc(C(=O)OCC)[n-]2)CCCCC1 ZINC000879654724 706750504 /nfs/dbraw/zinc/75/05/04/706750504.db2.gz PJODCTFPBLQRAA-UHFFFAOYSA-N -1 3 318.377 1.571 20 30 DDEDHM CCCn1ncc(C(=O)N[C@H]2CCCN([O-])C2=O)c1C1CC1 ZINC000848134542 703512259 /nfs/dbraw/zinc/51/22/59/703512259.db2.gz ATYZVCQBCRLBSF-LBPRGKRZSA-N -1 3 306.366 1.281 20 30 DDEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccccc1Cn1cccn1 ZINC000848135158 703512735 /nfs/dbraw/zinc/51/27/35/703512735.db2.gz ABYPSRYTJSIXJO-CQSZACIVSA-N -1 3 314.345 1.041 20 30 DDEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000848139267 703514164 /nfs/dbraw/zinc/51/41/64/703514164.db2.gz UBFWGUGOFPIJCY-GFCCVEGCSA-N -1 3 318.289 1.186 20 30 DDEDHM C=C(C)C[C@H]([N-]C(=O)C(F)(F)c1nccs1)C(=O)OC ZINC000870544950 704072745 /nfs/dbraw/zinc/07/27/45/704072745.db2.gz IXANOJDLSQAOMB-QMMMGPOBSA-N -1 3 304.318 1.859 20 30 DDEDHM C[C@@H]1CCN(CCOCCC#N)C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000852756551 704115965 /nfs/dbraw/zinc/11/59/65/704115965.db2.gz NJHHOZXPZKJQFA-MNOVXSKESA-N -1 3 307.316 1.306 20 30 DDEDHM O=C(N[C@H]1CCN([O-])C1=O)c1ccc(OC(F)F)cc1F ZINC000820120560 704223968 /nfs/dbraw/zinc/22/39/68/704223968.db2.gz QNKPBFDVFCFZDI-VIFPVBQESA-N -1 3 304.224 1.147 20 30 DDEDHM CC1(C)C[C@H](C(=O)N[C@H]2CCN([O-])C2=O)c2ccccc2O1 ZINC000820130828 704226769 /nfs/dbraw/zinc/22/67/69/704226769.db2.gz BXMHFDQTJOSGKD-RYUDHWBXSA-N -1 3 304.346 1.438 20 30 DDEDHM O=C(N[C@@H]1CCN([O-])C1=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000820143465 704229232 /nfs/dbraw/zinc/22/92/32/704229232.db2.gz JLHCACYUQZWLDG-VHSKPIJISA-N -1 3 314.263 1.314 20 30 DDEDHM COc1cc(C2(C(=O)N[C@H]3CCN([O-])C3=O)CCC2)ccc1C ZINC000820156476 704231587 /nfs/dbraw/zinc/23/15/87/704231587.db2.gz JFFIUWGKZBJVER-ZDUSSCGKSA-N -1 3 318.373 1.532 20 30 DDEDHM CC[C@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)[C@H](O)C(F)F ZINC000831894389 706799704 /nfs/dbraw/zinc/79/97/04/706799704.db2.gz DZVOUJJELPFABU-ONGXEEELSA-N -1 3 322.308 1.380 20 30 DDEDHM O=C(CCCc1ccc(F)c(F)c1)N[C@@H]1CCCN([O-])C1=O ZINC000820471567 704285339 /nfs/dbraw/zinc/28/53/39/704285339.db2.gz ZMTMMNONYMAIRT-CYBMUJFWSA-N -1 3 312.316 1.784 20 30 DDEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccc(-c2cc[nH]n2)s1 ZINC000820476550 704286362 /nfs/dbraw/zinc/28/63/62/704286362.db2.gz MWXOVQQJNBPYQA-VIFPVBQESA-N -1 3 306.347 1.248 20 30 DDEDHM O=Cc1cc(C(=O)N[C@@H]2CCCN([O-])C2=O)c(Cl)s1 ZINC000820544635 704297240 /nfs/dbraw/zinc/29/72/40/704297240.db2.gz NYXQTUPUOZGGPA-MRVPVSSYSA-N -1 3 302.739 1.324 20 30 DDEDHM C[C@]1(C(=O)N[C@@H]2CCCN([O-])C2=O)CCOc2ccccc21 ZINC000820544980 704297460 /nfs/dbraw/zinc/29/74/60/704297460.db2.gz SCUJUGRINCRGAX-WBMJQRKESA-N -1 3 304.346 1.223 20 30 DDEDHM C#C[C@H](NC(=O)c1cc2c(cc1[O-])OCO2)C1CCOCC1 ZINC000856106697 704514123 /nfs/dbraw/zinc/51/41/23/704514123.db2.gz XZKGCKLVYQVQRW-LBPRGKRZSA-N -1 3 303.314 1.279 20 30 DDEDHM C#Cc1ccc(C[N-]S(=O)(=O)N=S(=O)(CC)CC)cc1 ZINC000867323241 706960983 /nfs/dbraw/zinc/96/09/83/706960983.db2.gz AXACATSIZIBGCT-UHFFFAOYSA-N -1 3 314.432 1.510 20 30 DDEDHM C=C(Cl)C[C@@H]([N-]S(=O)(=O)CCC1CC1)C(=O)OCC ZINC000867591740 707048226 /nfs/dbraw/zinc/04/82/26/707048226.db2.gz DAXFMPGZTDLSCD-LLVKDONJSA-N -1 3 309.815 1.780 20 30 DDEDHM CC1(C)C[C@]1(C(=O)N[C@H]1CCCN([O-])C1=O)c1ccc(F)cc1 ZINC000823160640 705157226 /nfs/dbraw/zinc/15/72/26/705157226.db2.gz IZROUGZMOHIIMO-SUMWQHHRSA-N -1 3 320.364 1.990 20 30 DDEDHM C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC000824505367 705467493 /nfs/dbraw/zinc/46/74/93/705467493.db2.gz JVDWNPUPKUYQHY-YUMQZZPRSA-N -1 3 319.287 1.214 20 30 DDEDHM COC(=O)C1(C#N)CCN(C(=O)c2c(C)cccc2[O-])CC1 ZINC000861901275 705598950 /nfs/dbraw/zinc/59/89/50/705598950.db2.gz ONPJHOGQBDVPIT-UHFFFAOYSA-N -1 3 302.330 1.620 20 30 DDEDHM N#Cc1cc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)c[nH]1 ZINC000826383525 705797272 /nfs/dbraw/zinc/79/72/72/705797272.db2.gz FGZFSAIMTOHPLY-UHFFFAOYSA-N -1 3 311.280 1.136 20 30 DDEDHM N#Cc1cc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)c[nH]1 ZINC000826383525 705797274 /nfs/dbraw/zinc/79/72/74/705797274.db2.gz FGZFSAIMTOHPLY-UHFFFAOYSA-N -1 3 311.280 1.136 20 30 DDEDHM CC(C)(C/N=C\c1cc(Cl)ccc1[O-])CS(N)(=O)=O ZINC000864348321 706144045 /nfs/dbraw/zinc/14/40/45/706144045.db2.gz JEDQCANHXJDNHK-UUASQNMZSA-N -1 3 304.799 1.779 20 30 DDEDHM COCCN(CCC#N)Cc1nnc(-c2ccccc2[O-])o1 ZINC000878159358 706309934 /nfs/dbraw/zinc/30/99/34/706309934.db2.gz JOKHTFVQABGYDP-UHFFFAOYSA-N -1 3 302.334 1.804 20 30 DDEDHM CC(C)(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@H]1CC[C@@H](CC#N)C1 ZINC000872493658 707445363 /nfs/dbraw/zinc/44/53/63/707445363.db2.gz WIVMXOKHKZNHRG-ADWYPQAOSA-N -1 3 321.468 1.799 20 30 DDEDHM C=C(C)C[C@H]([N-]S(=O)(=O)c1conc1C)C(=O)OCC ZINC000882645445 707731932 /nfs/dbraw/zinc/73/19/32/707731932.db2.gz UTOKEQBHSLTXIK-JTQLQIEISA-N -1 3 302.352 1.159 20 30 DDEDHM C=C(C)C[C@@H](/N=C/c1c([O-])c(C)ncc1CO)C(=O)OCC ZINC000887268079 709002328 /nfs/dbraw/zinc/00/23/28/709002328.db2.gz BKZHNIQHPUVOFO-GHIJENOOSA-N -1 3 306.362 1.905 20 30 DDEDHM Cc1ncc(CO)c(/C=N\C[C@@H]2CC[C@]3(CO[C@@H](C)C3)O2)c1[O-] ZINC000887271878 709003794 /nfs/dbraw/zinc/00/37/94/709003794.db2.gz AXGWHSGXUKIHBJ-YDPPHKTDSA-N -1 3 320.389 1.733 20 30 DDEDHM C=C1CC(C)(C(=O)N2CCN(c3nc(C)cc(=O)[n-]3)CC2)C1 ZINC000899495732 709099251 /nfs/dbraw/zinc/09/92/51/709099251.db2.gz VAFZSYZVROBNHN-UHFFFAOYSA-N -1 3 302.378 1.496 20 30 DDEDHM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(C(=O)OC(C)C)n[n-]1 ZINC000888120275 709218307 /nfs/dbraw/zinc/21/83/07/709218307.db2.gz HVWRXWFLZVXBIA-ZWNOBZJWSA-N -1 3 307.350 1.895 20 30 DDEDHM C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(C(=O)OC(C)C)[n-]n1 ZINC000888120275 709218310 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ZINC000738432955 597768645 /nfs/dbraw/zinc/76/86/45/597768645.db2.gz TXXNSTKCBCTKCK-UHFFFAOYSA-N -1 3 301.390 1.931 20 30 DDEDHM C(=NNc1ccc(-c2nn[n-]n2)cc1)c1cccc2nccn21 ZINC000819719010 607325284 /nfs/dbraw/zinc/32/52/84/607325284.db2.gz WZJOCZSJALBUDT-UHFFFAOYSA-N -1 3 304.317 1.960 20 30 DDEDHM C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000819730204 607337938 /nfs/dbraw/zinc/33/79/38/607337938.db2.gz SJLHVSRPNCBITQ-QMMMGPOBSA-N -1 3 318.312 1.025 20 30 DDEDHM C=CC[C@H](C)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000819730204 607337940 /nfs/dbraw/zinc/33/79/40/607337940.db2.gz SJLHVSRPNCBITQ-QMMMGPOBSA-N -1 3 318.312 1.025 20 30 DDEDHM CCC[C@H](C#N)NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736415678 598331322 /nfs/dbraw/zinc/33/13/22/598331322.db2.gz IWMJZSOZXLMBKI-CMPLNLGQSA-N -1 3 314.349 1.442 20 30 DDEDHM N#CC1(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CCOCC1 ZINC000737673720 598581901 /nfs/dbraw/zinc/58/19/01/598581901.db2.gz CTSVGEMDNPYATP-UHFFFAOYSA-N -1 3 316.296 1.265 20 30 DDEDHM N#CC1(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CCOCC1 ZINC000737673720 598581903 /nfs/dbraw/zinc/58/19/03/598581903.db2.gz CTSVGEMDNPYATP-UHFFFAOYSA-N -1 3 316.296 1.265 20 30 DDEDHM N#CCCCCS(=O)(=O)Oc1cccc(-c2nnn[n-]2)c1 ZINC000737687713 598595862 /nfs/dbraw/zinc/59/58/62/598595862.db2.gz LDCQEYNXCSCNQU-UHFFFAOYSA-N -1 3 307.335 1.269 20 30 DDEDHM N#CCCCCS(=O)(=O)Oc1cccc(-c2nn[n-]n2)c1 ZINC000737687713 598595864 /nfs/dbraw/zinc/59/58/64/598595864.db2.gz LDCQEYNXCSCNQU-UHFFFAOYSA-N -1 3 307.335 1.269 20 30 DDEDHM N#C[C@H]1CN(Cc2cccc(-c3nnn[n-]3)c2)CCN1C1CC1 ZINC000737678522 598757896 /nfs/dbraw/zinc/75/78/96/598757896.db2.gz JOEPVJZKLBJVFD-HNNXBMFYSA-N -1 3 309.377 1.039 20 30 DDEDHM N#C[C@H]1CN(Cc2cccc(-c3nn[n-]n3)c2)CCN1C1CC1 ZINC000737678522 598757897 /nfs/dbraw/zinc/75/78/97/598757897.db2.gz JOEPVJZKLBJVFD-HNNXBMFYSA-N -1 3 309.377 1.039 20 30 DDEDHM N#Cc1ccc(NC(=O)COc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000737715901 598805277 /nfs/dbraw/zinc/80/52/77/598805277.db2.gz HMZPRGYBMZHNQC-UHFFFAOYSA-N -1 3 321.300 1.151 20 30 DDEDHM C#CCNC(=O)[C@H](C)S[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735381688 599331928 /nfs/dbraw/zinc/33/19/28/599331928.db2.gz OWHNCURBABFJJD-MNOVXSKESA-N -1 3 315.402 1.799 20 30 DDEDHM C#CCNC(=O)[C@H](C)S[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735381688 599331930 /nfs/dbraw/zinc/33/19/30/599331930.db2.gz OWHNCURBABFJJD-MNOVXSKESA-N -1 3 315.402 1.799 20 30 DDEDHM C=CCCCC(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823893954 607375655 /nfs/dbraw/zinc/37/56/55/607375655.db2.gz CGDGKVYTLUQZDJ-UHFFFAOYSA-N -1 3 300.318 1.949 20 30 DDEDHM C=CCCCC(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823893954 607375656 /nfs/dbraw/zinc/37/56/56/607375656.db2.gz CGDGKVYTLUQZDJ-UHFFFAOYSA-N -1 3 300.318 1.949 20 30 DDEDHM COCCN(CCC#N)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000821689229 599640221 /nfs/dbraw/zinc/64/02/21/599640221.db2.gz QNSYJWAWAOTGGZ-UHFFFAOYSA-N -1 3 304.329 1.368 20 30 DDEDHM COCCN(CCC#N)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000821689229 599640222 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C=C(Cl)CNS(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000823882778 607619077 /nfs/dbraw/zinc/61/90/77/607619077.db2.gz DCXHFKCONLEQMS-UHFFFAOYSA-N -1 3 317.733 1.037 20 30 DDEDHM N#CCOc1ccc(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000822814219 606268670 /nfs/dbraw/zinc/26/86/70/606268670.db2.gz CHZJYJCSJVGCCH-UHFFFAOYSA-N -1 3 323.316 1.027 20 30 DDEDHM N#CCOc1ccc(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000822814219 606268672 /nfs/dbraw/zinc/26/86/72/606268672.db2.gz CHZJYJCSJVGCCH-UHFFFAOYSA-N -1 3 323.316 1.027 20 30 DDEDHM N#Cc1ccc(NCCNc2ncccc2-c2nnn[n-]2)c(F)c1 ZINC000822829953 606461356 /nfs/dbraw/zinc/46/13/56/606461356.db2.gz QRAWBFMXNCBCOI-UHFFFAOYSA-N -1 3 324.323 1.796 20 30 DDEDHM N#Cc1ccc(NCCNc2ncccc2-c2nn[n-]n2)c(F)c1 ZINC000822829953 606461357 /nfs/dbraw/zinc/46/13/57/606461357.db2.gz QRAWBFMXNCBCOI-UHFFFAOYSA-N -1 3 324.323 1.796 20 30 DDEDHM N#CCCN(CC1CC1)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822807003 606541525 /nfs/dbraw/zinc/54/15/25/606541525.db2.gz XTRDVZFSYMNJHV-UHFFFAOYSA-N -1 3 302.363 1.694 20 30 DDEDHM N#CCCN(CC1CC1)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822807003 606541526 /nfs/dbraw/zinc/54/15/26/606541526.db2.gz XTRDVZFSYMNJHV-UHFFFAOYSA-N -1 3 302.363 1.694 20 30 DDEDHM C=C[C@H](C)NC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000819730045 606814742 /nfs/dbraw/zinc/81/47/42/606814742.db2.gz QQWFIXIZQKGFTN-FZMZJTMJSA-N -1 3 315.377 1.961 20 30 DDEDHM C=C[C@H](C)NC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000819730045 606814744 /nfs/dbraw/zinc/81/47/44/606814744.db2.gz QQWFIXIZQKGFTN-FZMZJTMJSA-N -1 3 315.377 1.961 20 30 DDEDHM N#Cc1cccn(CCCOc2cccc(-c3nnn[n-]3)c2)c1=O ZINC000822842448 606838328 /nfs/dbraw/zinc/83/83/28/606838328.db2.gz IRSNHPXOXNRZIN-UHFFFAOYSA-N -1 3 322.328 1.369 20 30 DDEDHM N#Cc1cccn(CCCOc2cccc(-c3nn[n-]n3)c2)c1=O ZINC000822842448 606838329 /nfs/dbraw/zinc/83/83/29/606838329.db2.gz IRSNHPXOXNRZIN-UHFFFAOYSA-N -1 3 322.328 1.369 20 30 DDEDHM O=[N+]([O-])c1cccnc1N=NCc1ccc(-c2nnn[n-]2)cc1 ZINC000823647204 607037420 /nfs/dbraw/zinc/03/74/20/607037420.db2.gz HVDVRFCECIPSQL-UHFFFAOYSA-N -1 3 310.277 1.616 20 30 DDEDHM O=[N+]([O-])c1cccnc1N=NCc1ccc(-c2nn[n-]n2)cc1 ZINC000823647204 607037423 /nfs/dbraw/zinc/03/74/23/607037423.db2.gz HVDVRFCECIPSQL-UHFFFAOYSA-N -1 3 310.277 1.616 20 30 DDEDHM CC#CCOC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000819764721 607117191 /nfs/dbraw/zinc/11/71/91/607117191.db2.gz KLVQNSIPXLUOGZ-UHFFFAOYSA-N -1 3 300.318 1.591 20 30 DDEDHM CC#CCOC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000819764721 607117193 /nfs/dbraw/zinc/11/71/93/607117193.db2.gz KLVQNSIPXLUOGZ-UHFFFAOYSA-N -1 3 300.318 1.591 20 30 DDEDHM N#Cc1ccnc(Oc2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC000822842669 607161485 /nfs/dbraw/zinc/16/14/85/607161485.db2.gz SUQLNTUKIPSDHO-UHFFFAOYSA-N -1 3 309.245 1.834 20 30 DDEDHM C(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccccc1-c1nn[n-]n1 ZINC000823861798 607889950 /nfs/dbraw/zinc/88/99/50/607889950.db2.gz RAWYSKYIXPRNBC-STQMWFEESA-N -1 3 310.365 1.061 20 30 DDEDHM C#CCOCCC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823851075 607908851 /nfs/dbraw/zinc/90/88/51/607908851.db2.gz YZMOEQPTSIBXPZ-UHFFFAOYSA-N -1 3 311.345 1.012 20 30 DDEDHM C#CCOCCC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823851075 607908852 /nfs/dbraw/zinc/90/88/52/607908852.db2.gz YZMOEQPTSIBXPZ-UHFFFAOYSA-N -1 3 311.345 1.012 20 30 DDEDHM C#CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccccc1 ZINC000823838270 607956386 /nfs/dbraw/zinc/95/63/86/607956386.db2.gz NESSTHHHMWLFNX-LBPRGKRZSA-N -1 3 306.329 1.689 20 30 DDEDHM C#CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccccc1 ZINC000823838270 607956387 /nfs/dbraw/zinc/95/63/87/607956387.db2.gz NESSTHHHMWLFNX-LBPRGKRZSA-N -1 3 306.329 1.689 20 30 DDEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@](C)(C#N)C1 ZINC000826245179 608140863 /nfs/dbraw/zinc/14/08/63/608140863.db2.gz PWGUUIDOXQBUCX-MRXNPFEDSA-N -1 3 310.361 1.941 20 30 DDEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@](C)(C#N)C1 ZINC000826245179 608140864 /nfs/dbraw/zinc/14/08/64/608140864.db2.gz PWGUUIDOXQBUCX-MRXNPFEDSA-N -1 3 310.361 1.941 20 30 DDEDHM C#CCCNC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823845401 608409282 /nfs/dbraw/zinc/40/92/82/608409282.db2.gz QSVNAYQCYPSKJV-UHFFFAOYSA-N -1 3 322.372 1.689 20 30 DDEDHM C#CCCNC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823845401 608409284 /nfs/dbraw/zinc/40/92/84/608409284.db2.gz QSVNAYQCYPSKJV-UHFFFAOYSA-N -1 3 322.372 1.689 20 30 DDEDHM N#Cc1ccc([C@H](O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826384907 609183667 /nfs/dbraw/zinc/18/36/67/609183667.db2.gz OWNMQHPFYBLUTK-AWEZNQCLSA-N -1 3 320.312 1.410 20 30 DDEDHM N#Cc1ccc([C@H](O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826384907 609183668 /nfs/dbraw/zinc/18/36/68/609183668.db2.gz OWNMQHPFYBLUTK-AWEZNQCLSA-N -1 3 320.312 1.410 20 30 DDEDHM CC(=NNCCOC(C)C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823953724 609418638 /nfs/dbraw/zinc/41/86/38/609418638.db2.gz NEULTCNWIGZTDV-UHFFFAOYSA-N -1 3 306.345 1.744 20 30 DDEDHM CC(=NNCCOC(C)C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823953724 609418639 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COc1cc(C=NN=C(C)c2cnccn2)c([N+](=O)[O-])cc1[O-] ZINC000745202228 699974408 /nfs/dbraw/zinc/97/44/08/699974408.db2.gz RMPOPXQERGJLCF-UHFFFAOYSA-N -1 3 315.289 1.942 20 30 DDEDHM C#CCC[C@H](O)C[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000798488807 700070087 /nfs/dbraw/zinc/07/00/87/700070087.db2.gz ZWKXKOCGVWRONI-VIFPVBQESA-N -1 3 322.308 1.153 20 30 DDEDHM CC[C@H](C#N)Oc1cc(CNC(=O)c2cn[n-]n2)ccc1OC ZINC000113211454 696654900 /nfs/dbraw/zinc/65/49/00/696654900.db2.gz ZZPLYACTHUCLIN-LLVKDONJSA-N -1 3 315.333 1.424 20 30 DDEDHM COC[C@H](OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C1CC1 ZINC000132292612 696813609 /nfs/dbraw/zinc/81/36/09/696813609.db2.gz HYGMAARTTOWQED-HNNXBMFYSA-N -1 3 318.373 1.764 20 30 DDEDHM C=C(Cl)CN1CCCN(C(=O)c2c(C)nc[n-]c2=O)CC1 ZINC000981799849 696920797 /nfs/dbraw/zinc/92/07/97/696920797.db2.gz NYZLKRWUMSKCIV-UHFFFAOYSA-N -1 3 310.785 1.391 20 30 DDEDHM C[C@@H]1[C@H](NCC#N)CCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000986520460 697832898 /nfs/dbraw/zinc/83/28/98/697832898.db2.gz 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/nfs/dbraw/zinc/00/35/42/599003542.db2.gz JLFXYJHFGXJFAG-UHFFFAOYSA-N -1 3 309.264 1.525 20 30 DDEDHM N#Cc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cn1 ZINC000737711700 599003545 /nfs/dbraw/zinc/00/35/45/599003545.db2.gz JLFXYJHFGXJFAG-UHFFFAOYSA-N -1 3 309.264 1.525 20 30 DDEDHM N#Cc1ccc(NC(=O)C=Cc2cnccn2)cc1-c1nnn[n-]1 ZINC000737716418 599195703 /nfs/dbraw/zinc/19/57/03/599195703.db2.gz QUYSXJQCZRYJMU-ONEGZZNKSA-N -1 3 318.300 1.180 20 30 DDEDHM N#Cc1ccc(NC(=O)C=Cc2cnccn2)cc1-c1nn[n-]n1 ZINC000737716418 599195704 /nfs/dbraw/zinc/19/57/04/599195704.db2.gz QUYSXJQCZRYJMU-ONEGZZNKSA-N -1 3 318.300 1.180 20 30 DDEDHM C=CC[C@H](C)NC(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC000735410216 599203113 /nfs/dbraw/zinc/20/31/13/599203113.db2.gz XMRCSWGAYQVUII-JTQLQIEISA-N -1 3 317.349 1.335 20 30 DDEDHM C=CC[C@H](C)NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC000735410216 599203114 /nfs/dbraw/zinc/20/31/14/599203114.db2.gz XMRCSWGAYQVUII-JTQLQIEISA-N -1 3 317.349 1.335 20 30 DDEDHM C[C@H](C#N)COC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000819857248 607323249 /nfs/dbraw/zinc/32/32/49/607323249.db2.gz QDUIRESPLATPGE-ZJUUUORDSA-N -1 3 301.306 1.337 20 30 DDEDHM COc1c(C=NNc2cccc(-c3nnn[n-]3)c2)c(C)nn1C ZINC000737024313 598313991 /nfs/dbraw/zinc/31/39/91/598313991.db2.gz GBKBKMGPFUXDKC-UHFFFAOYSA-N -1 3 312.337 1.363 20 30 DDEDHM COc1c(C=NNc2cccc(-c3nn[n-]n3)c2)c(C)nn1C ZINC000737024313 598313993 /nfs/dbraw/zinc/31/39/93/598313993.db2.gz GBKBKMGPFUXDKC-UHFFFAOYSA-N -1 3 312.337 1.363 20 30 DDEDHM CCC[C@@H](C#N)NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736416061 598331556 /nfs/dbraw/zinc/33/15/56/598331556.db2.gz JXZAHEQXIILYFP-JTQLQIEISA-N -1 3 300.322 1.054 20 30 DDEDHM CCC[C@@H](C#N)NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736416061 598331557 /nfs/dbraw/zinc/33/15/57/598331557.db2.gz JXZAHEQXIILYFP-JTQLQIEISA-N -1 3 300.322 1.054 20 30 DDEDHM C#CCOC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735380413 598724984 /nfs/dbraw/zinc/72/49/84/598724984.db2.gz GROZPOOYBDOMNW-UHFFFAOYSA-N -1 3 321.296 1.844 20 30 DDEDHM C#CCOC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735380413 598724986 /nfs/dbraw/zinc/72/49/86/598724986.db2.gz GROZPOOYBDOMNW-UHFFFAOYSA-N -1 3 321.296 1.844 20 30 DDEDHM N#C[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2)CCN1C1CC1 ZINC000737679357 598758008 /nfs/dbraw/zinc/75/80/08/598758008.db2.gz PVMLSVGANVGQGI-OAHLLOKOSA-N -1 3 309.377 1.039 20 30 DDEDHM N#C[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)CCN1C1CC1 ZINC000737679357 598758010 /nfs/dbraw/zinc/75/80/10/598758010.db2.gz PVMLSVGANVGQGI-OAHLLOKOSA-N -1 3 309.377 1.039 20 30 DDEDHM C=C(C)CN1CCC(NC(=O)N2CCC(CC(=O)[O-])CC2)CC1 ZINC000736095355 599996887 /nfs/dbraw/zinc/99/68/87/599996887.db2.gz RCNLFKXXCSRQPO-UHFFFAOYSA-N -1 3 323.437 1.923 20 30 DDEDHM COc1ccnc(N=NCc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000821903661 607463074 /nfs/dbraw/zinc/46/30/74/607463074.db2.gz JILCZMCQLINZPF-UHFFFAOYSA-N -1 3 314.284 1.250 20 30 DDEDHM COc1ccnc(N=NCc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000821903661 607463075 /nfs/dbraw/zinc/46/30/75/607463075.db2.gz JILCZMCQLINZPF-UHFFFAOYSA-N -1 3 314.284 1.250 20 30 DDEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CN(C)C(=O)[O-] ZINC000739605655 602162011 /nfs/dbraw/zinc/16/20/11/602162011.db2.gz DLPNRMSKAKALHW-UHFFFAOYSA-N -1 3 318.377 1.058 20 30 DDEDHM C=CCN1CCC(NC(=O)NC[C@H]2CCCN2C(=O)[O-])CC1 ZINC000738491626 602613427 /nfs/dbraw/zinc/61/34/27/602613427.db2.gz LSWFTPRUTZTMIX-CYBMUJFWSA-N -1 3 310.398 1.078 20 30 DDEDHM C=CCN1CCC(NC(=O)c2csc(CNC(=O)[O-])n2)CC1 ZINC000738490997 602712959 /nfs/dbraw/zinc/71/29/59/602712959.db2.gz FBKXLQIJEXVMCG-UHFFFAOYSA-N -1 3 324.406 1.291 20 30 DDEDHM C#CCN1CCC(C(=O)N[C@H]2CCCC[C@@H]2CNC(=O)[O-])CC1 ZINC000738461488 602795384 /nfs/dbraw/zinc/79/53/84/602795384.db2.gz SYNOAGNXAYZSMP-CABCVRRESA-N -1 3 321.421 1.274 20 30 DDEDHM N#CCCN(Cc1ccccn1)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826381219 607725842 /nfs/dbraw/zinc/72/58/42/607725842.db2.gz BZGFNKNOKKIFRU-UHFFFAOYSA-N -1 3 322.332 1.146 20 30 DDEDHM N#CCCN(Cc1ccccn1)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826381219 607725844 /nfs/dbraw/zinc/72/58/44/607725844.db2.gz BZGFNKNOKKIFRU-UHFFFAOYSA-N -1 3 322.332 1.146 20 30 DDEDHM C#CC[C@H](OC(=O)COc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000819689157 606181077 /nfs/dbraw/zinc/18/10/77/606181077.db2.gz WSUIJPPKHYQXCP-AWEZNQCLSA-N -1 3 312.329 1.591 20 30 DDEDHM C#CC[C@H](OC(=O)COc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000819689157 606181078 /nfs/dbraw/zinc/18/10/78/606181078.db2.gz WSUIJPPKHYQXCP-AWEZNQCLSA-N -1 3 312.329 1.591 20 30 DDEDHM Clc1ccc(N=NCc2cc(-c3nnn[n-]3)cs2)nn1 ZINC000822578831 606204635 /nfs/dbraw/zinc/20/46/35/606204635.db2.gz QLYUNFYDUSOKST-UHFFFAOYSA-N -1 3 306.742 1.818 20 30 DDEDHM Clc1ccc(N=NCc2cc(-c3nn[n-]n3)cs2)nn1 ZINC000822578831 606204636 /nfs/dbraw/zinc/20/46/36/606204636.db2.gz QLYUNFYDUSOKST-UHFFFAOYSA-N -1 3 306.742 1.818 20 30 DDEDHM COc1cccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)n1 ZINC000821859775 606514407 /nfs/dbraw/zinc/51/44/07/606514407.db2.gz SIUDZLNGGPGTLP-UHFFFAOYSA-N -1 3 321.300 1.394 20 30 DDEDHM COc1cccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)n1 ZINC000821859775 606514409 /nfs/dbraw/zinc/51/44/09/606514409.db2.gz SIUDZLNGGPGTLP-UHFFFAOYSA-N -1 3 321.300 1.394 20 30 DDEDHM C[C@H](NC(=O)C1(C#N)CC(C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820643233 606864042 /nfs/dbraw/zinc/86/40/42/606864042.db2.gz SJXALQIVTISZRU-CSJGVYOVSA-N -1 3 310.361 1.984 20 30 DDEDHM C[C@H](NC(=O)C1(C#N)CC(C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820643233 606864043 /nfs/dbraw/zinc/86/40/43/606864043.db2.gz SJXALQIVTISZRU-CSJGVYOVSA-N -1 3 310.361 1.984 20 30 DDEDHM CN(C(=O)Cc1cccc(-c2nnn[n-]2)c1)c1ccccc1C#N ZINC000825820612 607790764 /nfs/dbraw/zinc/79/07/64/607790764.db2.gz MMBKEZRKPXVESD-UHFFFAOYSA-N -1 3 318.340 1.944 20 30 DDEDHM CN(C(=O)Cc1cccc(-c2nn[n-]n2)c1)c1ccccc1C#N ZINC000825820612 607790765 /nfs/dbraw/zinc/79/07/65/607790765.db2.gz MMBKEZRKPXVESD-UHFFFAOYSA-N -1 3 318.340 1.944 20 30 DDEDHM CC(=NNC1=N[C@H]2CCCC[C@H]2N1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823953456 607816561 /nfs/dbraw/zinc/81/65/61/607816561.db2.gz ASYPUYXSKGMXHE-OKILXGFUSA-N -1 3 324.392 1.451 20 30 DDEDHM C[C@@H](C#N)CN(C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000824034031 607831175 /nfs/dbraw/zinc/83/11/75/607831175.db2.gz FYKSTDSVAJLPMB-XHDPSFHLSA-N -1 3 312.377 1.524 20 30 DDEDHM C[C@@H](C#N)CN(C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000824034031 607831176 /nfs/dbraw/zinc/83/11/76/607831176.db2.gz FYKSTDSVAJLPMB-XHDPSFHLSA-N -1 3 312.377 1.524 20 30 DDEDHM C#CCNC(=S)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000823850144 607966918 /nfs/dbraw/zinc/96/69/18/607966918.db2.gz KEGBNPIZLVCPLD-UHFFFAOYSA-N -1 3 314.418 1.585 20 30 DDEDHM C#CCNC(=S)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000823850144 607966919 /nfs/dbraw/zinc/96/69/19/607966919.db2.gz KEGBNPIZLVCPLD-UHFFFAOYSA-N -1 3 314.418 1.585 20 30 DDEDHM C=C(C)CN(CC)C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000823877660 608217992 /nfs/dbraw/zinc/21/79/92/608217992.db2.gz CLCJTQSDTYDBAT-UHFFFAOYSA-N -1 3 301.354 1.098 20 30 DDEDHM C=C(C)CN(CC)C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000823877660 608217993 /nfs/dbraw/zinc/21/79/93/608217993.db2.gz CLCJTQSDTYDBAT-UHFFFAOYSA-N -1 3 301.354 1.098 20 30 DDEDHM FC(F)(F)COCCNN=Cc1cccc(-c2nnn[n-]2)c1 ZINC000826367722 608229548 /nfs/dbraw/zinc/22/95/48/608229548.db2.gz LLFRIECADYBZJL-UHFFFAOYSA-N -1 3 314.271 1.369 20 30 DDEDHM FC(F)(F)COCCNN=Cc1cccc(-c2nn[n-]n2)c1 ZINC000826367722 608229550 /nfs/dbraw/zinc/22/95/50/608229550.db2.gz LLFRIECADYBZJL-UHFFFAOYSA-N -1 3 314.271 1.369 20 30 DDEDHM CCN(Cc1ccc(-c2nnn[n-]2)cc1OC)C[C@@H](C)C#N ZINC000825428198 608356131 /nfs/dbraw/zinc/35/61/31/608356131.db2.gz FGRMLBQKKWGAGQ-NSHDSACASA-N -1 3 300.366 1.857 20 30 DDEDHM CCN(Cc1ccc(-c2nn[n-]n2)cc1OC)C[C@@H](C)C#N ZINC000825428198 608356133 /nfs/dbraw/zinc/35/61/33/608356133.db2.gz FGRMLBQKKWGAGQ-NSHDSACASA-N -1 3 300.366 1.857 20 30 DDEDHM N#Cc1ccc(N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)nn1 ZINC000826385595 608407276 /nfs/dbraw/zinc/40/72/76/608407276.db2.gz SPQLHSNXTDMSIN-UHFFFAOYSA-N -1 3 318.344 1.697 20 30 DDEDHM N#Cc1ccc(N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)nn1 ZINC000826385595 608407278 /nfs/dbraw/zinc/40/72/78/608407278.db2.gz SPQLHSNXTDMSIN-UHFFFAOYSA-N -1 3 318.344 1.697 20 30 DDEDHM N#Cc1cccc(COC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1F ZINC000826386713 608451576 /nfs/dbraw/zinc/45/15/76/608451576.db2.gz PPJSWTVSNQDEFA-UHFFFAOYSA-N -1 3 312.264 1.563 20 30 DDEDHM N#Cc1cccc(COC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1F ZINC000826386713 608451577 /nfs/dbraw/zinc/45/15/77/608451577.db2.gz PPJSWTVSNQDEFA-UHFFFAOYSA-N -1 3 312.264 1.563 20 30 DDEDHM CCN(Cc1cnc2ccc(-c3nnn[n-]3)cn12)C[C@H](C)C#N ZINC000825444441 608598287 /nfs/dbraw/zinc/59/82/87/608598287.db2.gz NOZVKVZXJOCTTC-LLVKDONJSA-N -1 3 310.365 1.496 20 30 DDEDHM CCN(Cc1cnc2ccc(-c3nn[n-]n3)cn12)C[C@H](C)C#N ZINC000825444441 608598289 /nfs/dbraw/zinc/59/82/89/608598289.db2.gz NOZVKVZXJOCTTC-LLVKDONJSA-N -1 3 310.365 1.496 20 30 DDEDHM C[C@@H](C#N)CN(Cc1cnc2ccc(-c3nnn[n-]3)cn12)C1CC1 ZINC000824034862 608742274 /nfs/dbraw/zinc/74/22/74/608742274.db2.gz QBHVMEXESZCUHE-NSHDSACASA-N -1 3 322.376 1.638 20 30 DDEDHM C[C@@H](C#N)CN(Cc1cnc2ccc(-c3nn[n-]n3)cn12)C1CC1 ZINC000824034862 608742275 /nfs/dbraw/zinc/74/22/75/608742275.db2.gz QBHVMEXESZCUHE-NSHDSACASA-N -1 3 322.376 1.638 20 30 DDEDHM CCC[C@@H](C#N)NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000825225222 608844432 /nfs/dbraw/zinc/84/44/32/608844432.db2.gz OMPSUSHENGOLQG-QMMMGPOBSA-N -1 3 306.276 1.567 20 30 DDEDHM CCC[C@@H](C#N)NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000825225222 608844430 /nfs/dbraw/zinc/84/44/30/608844430.db2.gz OMPSUSHENGOLQG-QMMMGPOBSA-N -1 3 306.276 1.567 20 30 DDEDHM Cc1nn(C)cc1C(=O)C=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826334059 608876958 /nfs/dbraw/zinc/87/69/58/608876958.db2.gz GHTUYUSFMRPUJG-XQRVVYSFSA-N -1 3 312.308 1.944 20 30 DDEDHM Cc1nn(C)cc1C(=O)C=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826334059 608876962 /nfs/dbraw/zinc/87/69/62/608876962.db2.gz GHTUYUSFMRPUJG-XQRVVYSFSA-N -1 3 312.308 1.944 20 30 DDEDHM N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826381036 609264506 /nfs/dbraw/zinc/26/45/06/609264506.db2.gz VPDPUFYTSXGCFC-UFBFGSQYSA-N -1 3 315.312 1.820 20 30 DDEDHM N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826381036 609264508 /nfs/dbraw/zinc/26/45/08/609264508.db2.gz VPDPUFYTSXGCFC-UFBFGSQYSA-N -1 3 315.312 1.820 20 30 DDEDHM COc1cccc(NN=Cc2cc(-c3nn[n-]n3)cs2)n1 ZINC000826216777 609524545 /nfs/dbraw/zinc/52/45/45/609524545.db2.gz NAEQVYBXJYGWSV-UHFFFAOYSA-N -1 3 301.335 1.778 20 30 DDEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cccnc1Cl ZINC000797841589 700026741 /nfs/dbraw/zinc/02/67/41/700026741.db2.gz NQMQYCCIFRWCBO-ZYHUDNBSSA-N -1 3 316.810 1.995 20 30 DDEDHM CC1(C)CN(CC#N)C[C@@H]1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000974714616 695717491 /nfs/dbraw/zinc/71/74/91/695717491.db2.gz HCGHZTUYWYEXNI-LBPRGKRZSA-N -1 3 315.377 1.023 20 30 DDEDHM C=C[C@H](C)NC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000798543393 700072750 /nfs/dbraw/zinc/07/27/50/700072750.db2.gz LYFQLJIFSUHCLW-VIFPVBQESA-N -1 3 307.316 1.661 20 30 DDEDHM C=C(Cl)CN1C[C@@H]2[C@@H](CNC(=O)c3ncccc3[O-])[C@@H]2C1 ZINC000978065883 696319613 /nfs/dbraw/zinc/31/96/13/696319613.db2.gz QTAFFBATXMAVNY-CNDDSTCGSA-N -1 3 307.781 1.447 20 30 DDEDHM C#CC[C@H](OC(=O)Cc1c(C)nc(C)[n-]c1=O)c1ccccn1 ZINC000073294021 696402796 /nfs/dbraw/zinc/40/27/96/696402796.db2.gz OFBTXDKWQQTUFX-HNNXBMFYSA-N -1 3 311.341 1.632 20 30 DDEDHM CC(C)(C)C#CCOC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000798889297 700104407 /nfs/dbraw/zinc/10/44/07/700104407.db2.gz HRMSTAJBTZBAHK-LLVKDONJSA-N -1 3 303.424 1.543 20 30 DDEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccc([N+](=O)[O-])cc1 ZINC000125142754 696750144 /nfs/dbraw/zinc/75/01/44/696750144.db2.gz OOICQSBBCAIQQV-LBPRGKRZSA-N -1 3 310.269 1.951 20 30 DDEDHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)C#N)ccc1F ZINC000125379547 696752741 /nfs/dbraw/zinc/75/27/41/696752741.db2.gz SZRPWTFYORFFHS-VIFPVBQESA-N -1 3 313.354 1.154 20 30 DDEDHM Cc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000799620907 700154349 /nfs/dbraw/zinc/15/43/49/700154349.db2.gz ZGAXYOHYVFYHJE-UHFFFAOYSA-N -1 3 318.340 1.977 20 30 DDEDHM Cc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000799620907 700154353 /nfs/dbraw/zinc/15/43/53/700154353.db2.gz ZGAXYOHYVFYHJE-UHFFFAOYSA-N -1 3 318.340 1.977 20 30 DDEDHM C#C[C@H]([N-]C(=O)C(F)(F)Oc1ccc(C=O)cc1)[C@H]1CCCO1 ZINC000775342151 697985756 /nfs/dbraw/zinc/98/57/56/697985756.db2.gz SSEQXUDIWRNCEV-UONOGXRCSA-N -1 3 323.295 1.768 20 30 DDEDHM Cc1ncc(CO)c(/C=N/Cc2ccnc(N(C)C)n2)c1[O-] ZINC000775633818 698017261 /nfs/dbraw/zinc/01/72/61/698017261.db2.gz LHEZAXSTMBEYIE-LZYBPNLTSA-N -1 3 301.350 1.063 20 30 DDEDHM CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1cccc2nn[n-]c21 ZINC000800208617 700203019 /nfs/dbraw/zinc/20/30/19/700203019.db2.gz NCEHKQCUNMJCMJ-OAHLLOKOSA-N -1 3 315.333 1.169 20 30 DDEDHM CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1cccc2[n-]nnc21 ZINC000800208617 700203020 /nfs/dbraw/zinc/20/30/20/700203020.db2.gz NCEHKQCUNMJCMJ-OAHLLOKOSA-N -1 3 315.333 1.169 20 30 DDEDHM CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1cccc2n[n-]nc21 ZINC000800208617 700203023 /nfs/dbraw/zinc/20/30/23/700203023.db2.gz NCEHKQCUNMJCMJ-OAHLLOKOSA-N -1 3 315.333 1.169 20 30 DDEDHM Cc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1-n1cnnn1 ZINC000255613162 698421320 /nfs/dbraw/zinc/42/13/20/698421320.db2.gz ZDVYDFOWSGPZRG-UHFFFAOYSA-N -1 3 311.301 1.838 20 30 DDEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1cn(C)c(C)n1 ZINC000800813616 700245635 /nfs/dbraw/zinc/24/56/35/700245635.db2.gz DDZYQMBOPFMELF-UHFFFAOYSA-N -1 3 320.418 1.615 20 30 DDEDHM N#CCC[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000346299158 698815210 /nfs/dbraw/zinc/81/52/10/698815210.db2.gz XYYRIMVOSFKDJT-UHFFFAOYSA-N -1 3 307.144 1.780 20 30 DDEDHM C#CCOCC[N-]S(=O)(=O)c1csc(-c2ccccc2)n1 ZINC000784451776 698939198 /nfs/dbraw/zinc/93/91/98/698939198.db2.gz JOVZGRFKSCCLPW-UHFFFAOYSA-N -1 3 322.411 1.738 20 30 DDEDHM C#Cc1ccc(C(=O)N2CC(NC(=O)c3ccccc3[O-])C2)cn1 ZINC000990273208 699016527 /nfs/dbraw/zinc/01/65/27/699016527.db2.gz ISBDTBDLGKXVEQ-UHFFFAOYSA-N -1 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DDEDHM COc1ccnc(C(=O)NC(=NO)c2ccc(C)cn2)c1[O-] ZINC001193543377 746126127 /nfs/dbraw/zinc/12/61/27/746126127.db2.gz SXRJIARMFFFIGN-UHFFFAOYSA-N -1 3 302.290 1.065 20 30 DDEDHM C[C@H]1[C@@H](NC(=O)c2cc(=O)[n-]c(C3CC3)n2)CCCN1CC#N ZINC000993460609 746172722 /nfs/dbraw/zinc/17/27/22/746172722.db2.gz XYYVJAAUNVDZMJ-JQWIXIFHSA-N -1 3 315.377 1.166 20 30 DDEDHM C[C@@H](C#N)C(=O)N1C[C@@H](CNC(=O)c2ccccc2[O-])[C@H](C)C1 ZINC000993762910 746317155 /nfs/dbraw/zinc/31/71/55/746317155.db2.gz NJWNFCMNIWKWRG-YNEHKIRRSA-N -1 3 315.373 1.376 20 30 DDEDHM N#Cc1cccnc1C(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC001196558663 746905943 /nfs/dbraw/zinc/90/59/43/746905943.db2.gz IVBKJTPHGVSESU-UHFFFAOYSA-N -1 3 307.269 1.560 20 30 DDEDHM CC#CCN1CCC(NC(=O)c2n[n-]c3ccccc3c2=O)CC1 ZINC001003723421 747410130 /nfs/dbraw/zinc/41/01/30/747410130.db2.gz VAJOVWQTUGXPFZ-UHFFFAOYSA-N -1 3 324.384 1.553 20 30 DDEDHM O=S(=O)([N-]CCS)c1ncccc1OCc1ccccc1 ZINC001201895989 748623112 /nfs/dbraw/zinc/62/31/12/748623112.db2.gz 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Cc1cnc(C(=O)NC(C)(C)CCN2CCN(C)CC2)c([O-])c1 ZINC000331163786 534522756 /nfs/dbraw/zinc/52/27/56/534522756.db2.gz DJQDSMXJHRXBSA-UHFFFAOYSA-N -1 3 320.437 1.816 20 30 DDEDHM N#CC1(CS(=O)(=O)[N-]C[C@]2(O)CCSC2)CCCCC1 ZINC000330012769 534561641 /nfs/dbraw/zinc/56/16/41/534561641.db2.gz LCCXHEPSYKDWGI-CYBMUJFWSA-N -1 3 318.464 1.248 20 30 DDEDHM O=C(N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1csc(=O)[n-]1 ZINC000329892592 534838437 /nfs/dbraw/zinc/83/84/37/534838437.db2.gz ADMQOANKVTVFRL-ZCFIWIBFSA-N -1 3 323.296 1.707 20 30 DDEDHM C#CC[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000490618573 527046489 /nfs/dbraw/zinc/04/64/89/527046489.db2.gz XPSHRVJDNBQPIG-UHFFFAOYSA-N -1 3 304.730 1.349 20 30 DDEDHM C=CC[C@@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000349979972 527102126 /nfs/dbraw/zinc/10/21/26/527102126.db2.gz YCUPNYRQIKFLFU-QMMMGPOBSA-N -1 3 306.365 1.180 20 30 DDEDHM C#C[C@H](CC)NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000491812265 527351532 /nfs/dbraw/zinc/35/15/32/527351532.db2.gz NKARDJGESQIERC-CYBMUJFWSA-N -1 3 315.373 1.271 20 30 DDEDHM C#C[C@H]([N-]S(=O)(=O)c1cccnc1C(=O)OC)C(C)(C)C ZINC000491465132 527413466 /nfs/dbraw/zinc/41/34/66/527413466.db2.gz VGNCWZZTGVWFTN-NSHDSACASA-N -1 3 310.375 1.194 20 30 DDEDHM C=CCC[C@H](CO)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000452033210 527473592 /nfs/dbraw/zinc/47/35/92/527473592.db2.gz YZIJYKCCDBEBPR-SECBINFHSA-N -1 3 324.324 1.706 20 30 DDEDHM C=C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000443377879 527571224 /nfs/dbraw/zinc/57/12/24/527571224.db2.gz ZOHKBGGLGNJPFH-QMMMGPOBSA-N -1 3 303.767 1.979 20 30 DDEDHM CC(C)Oc1cccc(/C=C\C(=O)N[C@H]2CCCN([O-])C2=O)c1 ZINC000493587261 528213176 /nfs/dbraw/zinc/21/31/76/528213176.db2.gz LEPAYULIZZHXCZ-CDNLZTBQSA-N -1 3 318.373 1.983 20 30 DDEDHM CC[C@@H]([N-]S(=O)(=O)CC1(CC#N)CC1)[C@@H](O)C(F)(F)F ZINC000451362669 529191867 /nfs/dbraw/zinc/19/18/67/529191867.db2.gz RDJZGXZTNOIKHA-RKDXNWHRSA-N -1 3 314.329 1.301 20 30 DDEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)[C@H](O)C(F)F ZINC000451708614 529195622 /nfs/dbraw/zinc/19/56/22/529195622.db2.gz JJSZJLKBLIKUAX-APPZFPTMSA-N -1 3 310.347 1.303 20 30 DDEDHM COc1ccc(CN=Nc2oc(C)nc2C#N)cc1-c1nnn[n-]1 ZINC000737082361 599128717 /nfs/dbraw/zinc/12/87/17/599128717.db2.gz IQAUXLWYBHTJHZ-UHFFFAOYSA-N -1 3 324.304 1.489 20 30 DDEDHM COc1ccc(CN=Nc2oc(C)nc2C#N)cc1-c1nn[n-]n1 ZINC000737082361 599128719 /nfs/dbraw/zinc/12/87/19/599128719.db2.gz IQAUXLWYBHTJHZ-UHFFFAOYSA-N -1 3 324.304 1.489 20 30 DDEDHM N#Cc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2F)cn1 ZINC000737712470 599133053 /nfs/dbraw/zinc/13/30/53/599133053.db2.gz QIMBSFDLKRFARN-UHFFFAOYSA-N -1 3 324.275 1.629 20 30 DDEDHM N#Cc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2F)cn1 ZINC000737712470 599133054 /nfs/dbraw/zinc/13/30/54/599133054.db2.gz QIMBSFDLKRFARN-UHFFFAOYSA-N -1 3 324.275 1.629 20 30 DDEDHM N#Cc1cc(NC(=O)c2ccc(F)nc2)ccc1-c1nnn[n-]1 ZINC000737708883 599192054 /nfs/dbraw/zinc/19/20/54/599192054.db2.gz JNMBPHBCMNBIMD-UHFFFAOYSA-N -1 3 309.264 1.525 20 30 DDEDHM N#Cc1cc(NC(=O)c2ccc(F)nc2)ccc1-c1nn[n-]n1 ZINC000737708883 599192057 /nfs/dbraw/zinc/19/20/57/599192057.db2.gz JNMBPHBCMNBIMD-UHFFFAOYSA-N -1 3 309.264 1.525 20 30 DDEDHM N#Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1C#N ZINC000737719680 599193047 /nfs/dbraw/zinc/19/30/47/599193047.db2.gz UXMAPHKAYUDLAN-UHFFFAOYSA-N -1 3 316.284 1.257 20 30 DDEDHM N#Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1C#N ZINC000737719680 599193050 /nfs/dbraw/zinc/19/30/50/599193050.db2.gz UXMAPHKAYUDLAN-UHFFFAOYSA-N -1 3 316.284 1.257 20 30 DDEDHM Cc1cc(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)no1 ZINC000737263261 599198263 /nfs/dbraw/zinc/19/82/63/599198263.db2.gz RKDSWRIDJPZLJC-UHFFFAOYSA-N -1 3 309.289 1.216 20 30 DDEDHM Cc1cc(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)no1 ZINC000737263261 599198264 /nfs/dbraw/zinc/19/82/64/599198264.db2.gz RKDSWRIDJPZLJC-UHFFFAOYSA-N -1 3 309.289 1.216 20 30 DDEDHM C#CCN(CC#CC)C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000735375037 599228626 /nfs/dbraw/zinc/22/86/26/599228626.db2.gz RNSVOZMYCVIWSX-CYBMUJFWSA-N -1 3 323.356 1.119 20 30 DDEDHM C#CCN(CC#CC)C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000735375037 599228629 /nfs/dbraw/zinc/22/86/29/599228629.db2.gz RNSVOZMYCVIWSX-CYBMUJFWSA-N -1 3 323.356 1.119 20 30 DDEDHM CN(C)[C@@H](CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c1ccccc1 ZINC000820534760 598222108 /nfs/dbraw/zinc/22/21/08/598222108.db2.gz CBHSXJXDEYAWQY-XJKSGUPXSA-N -1 3 303.362 1.410 20 30 DDEDHM C=CCCC(=O)N(CCOC)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735408176 598327060 /nfs/dbraw/zinc/32/70/60/598327060.db2.gz GXFGCNNFEWALDJ-UHFFFAOYSA-N -1 3 315.377 1.808 20 30 DDEDHM C=CCCC(=O)N(CCOC)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735408176 598327062 /nfs/dbraw/zinc/32/70/62/598327062.db2.gz GXFGCNNFEWALDJ-UHFFFAOYSA-N -1 3 315.377 1.808 20 30 DDEDHM CC(C)C[C@@H](C#N)NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000735756049 598332897 /nfs/dbraw/zinc/33/28/97/598332897.db2.gz JZSUIVARATUTRY-LBPRGKRZSA-N -1 3 314.349 1.300 20 30 DDEDHM C=CCCC(=O)O[C@H](C)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000735408826 598359081 /nfs/dbraw/zinc/35/90/81/598359081.db2.gz RUYAFLBLPPBUBZ-SNVBAGLBSA-N -1 3 315.333 1.703 20 30 DDEDHM C=CCCC(=O)O[C@H](C)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000735408826 598359083 /nfs/dbraw/zinc/35/90/83/598359083.db2.gz RUYAFLBLPPBUBZ-SNVBAGLBSA-N -1 3 315.333 1.703 20 30 DDEDHM N#Cc1ccc(NC(=O)[C@H]2CCCS2)cc1-c1nn[n-]n1 ZINC000822829911 599632368 /nfs/dbraw/zinc/63/23/68/599632368.db2.gz OUPZKAPOIFKEQF-LLVKDONJSA-N -1 3 300.347 1.572 20 30 DDEDHM CC(C)[C@H](C#N)NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736182917 598691135 /nfs/dbraw/zinc/69/11/35/598691135.db2.gz HQLLBEWZUOOABP-PWSUYJOCSA-N -1 3 314.349 1.298 20 30 DDEDHM CC(C)[C@H](C#N)NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736182917 598691137 /nfs/dbraw/zinc/69/11/37/598691137.db2.gz HQLLBEWZUOOABP-PWSUYJOCSA-N -1 3 314.349 1.298 20 30 DDEDHM C#Cc1ccc(C(=O)NCc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000735389680 598734575 /nfs/dbraw/zinc/73/45/75/598734575.db2.gz GGMUOMGNLLOCGG-UHFFFAOYSA-N -1 3 304.313 1.173 20 30 DDEDHM C#Cc1ccc(C(=O)NCc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000735389680 598734576 /nfs/dbraw/zinc/73/45/76/598734576.db2.gz GGMUOMGNLLOCGG-UHFFFAOYSA-N -1 3 304.313 1.173 20 30 DDEDHM C#Cc1ccc(C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000735388204 598735624 /nfs/dbraw/zinc/73/56/24/598735624.db2.gz SYZOMHCAILFVNR-UHFFFAOYSA-N -1 3 318.340 1.515 20 30 DDEDHM C#Cc1ccc(C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000735388204 598735625 /nfs/dbraw/zinc/73/56/25/598735625.db2.gz SYZOMHCAILFVNR-UHFFFAOYSA-N -1 3 318.340 1.515 20 30 DDEDHM N#C[C@H]1CN(Cc2ccc(-c3nnn[n-]3)cc2)CCN1C1CC1 ZINC000737679355 598758117 /nfs/dbraw/zinc/75/81/17/598758117.db2.gz PVMLSVGANVGQGI-HNNXBMFYSA-N -1 3 309.377 1.039 20 30 DDEDHM N#C[C@H]1CN(Cc2ccc(-c3nn[n-]n3)cc2)CCN1C1CC1 ZINC000737679355 598758118 /nfs/dbraw/zinc/75/81/18/598758118.db2.gz PVMLSVGANVGQGI-HNNXBMFYSA-N -1 3 309.377 1.039 20 30 DDEDHM N#CC1(NC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737678186 599569859 /nfs/dbraw/zinc/56/98/59/599569859.db2.gz HGIJJCYRQSWMPV-UHFFFAOYSA-N -1 3 314.374 1.272 20 30 DDEDHM N#CC1(NC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737678186 599569860 /nfs/dbraw/zinc/56/98/60/599569860.db2.gz HGIJJCYRQSWMPV-UHFFFAOYSA-N -1 3 314.374 1.272 20 30 DDEDHM C=CC[C@H](C)NC(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1 ZINC000819730048 599606173 /nfs/dbraw/zinc/60/61/73/599606173.db2.gz QRPWSKHRWVRBRE-JTQLQIEISA-N -1 3 314.349 1.194 20 30 DDEDHM C=CC[C@H](C)NC(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1 ZINC000819730048 599606175 /nfs/dbraw/zinc/60/61/75/599606175.db2.gz QRPWSKHRWVRBRE-JTQLQIEISA-N -1 3 314.349 1.194 20 30 DDEDHM C[C@@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)C(F)(F)F ZINC000819867927 599631042 /nfs/dbraw/zinc/63/10/42/599631042.db2.gz VLINMWJYWWCPQD-LURJTMIESA-N -1 3 310.239 1.875 20 30 DDEDHM C[C@@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)C(F)(F)F ZINC000819867927 599631043 /nfs/dbraw/zinc/63/10/43/599631043.db2.gz VLINMWJYWWCPQD-LURJTMIESA-N -1 3 310.239 1.875 20 30 DDEDHM N#Cc1ccc(NC(=O)[C@H]2CCCS2)cc1-c1nnn[n-]1 ZINC000822829911 599632367 /nfs/dbraw/zinc/63/23/67/599632367.db2.gz OUPZKAPOIFKEQF-LLVKDONJSA-N -1 3 300.347 1.572 20 30 DDEDHM CC(C)CN1CCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000736441984 600561901 /nfs/dbraw/zinc/56/19/01/600561901.db2.gz ASVGQYSIKSDFTK-MRXNPFEDSA-N -1 3 301.390 1.958 20 30 DDEDHM N#Cc1ccc(OCCN2CCSC[C@@H]2CC(=O)[O-])cc1 ZINC000091132518 601015607 /nfs/dbraw/zinc/01/56/07/601015607.db2.gz XBHTVJGKNCGNTN-ZDUSSCGKSA-N -1 3 306.387 1.829 20 30 DDEDHM C[C@H]1CN(CCOc2cccc(C#N)c2)CC[C@H]1NC(=O)[O-] ZINC000739188365 602780348 /nfs/dbraw/zinc/78/03/48/602780348.db2.gz XYPSMMPPPSYUIG-SWLSCSKDSA-N -1 3 303.362 1.915 20 30 DDEDHM C=CCN1CCC(NC(=O)N2C[C@@H](C)N(C(=O)[O-])[C@H](C)C2)CC1 ZINC000738491497 602965176 /nfs/dbraw/zinc/96/51/76/602965176.db2.gz JDBBDQOFCNCZMG-CHWSQXEVSA-N -1 3 324.425 1.419 20 30 DDEDHM C=CCN(CC=C)C(=O)[C@H](C)N1CCC[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000823500528 604258729 /nfs/dbraw/zinc/25/87/29/604258729.db2.gz GJOFOSWCYXALCJ-QLFBSQMISA-N -1 3 323.437 1.944 20 30 DDEDHM C=CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccncc1 ZINC000823888821 607739311 /nfs/dbraw/zinc/73/93/11/607739311.db2.gz XVKHCDFKISSCTK-LLVKDONJSA-N -1 3 309.333 1.637 20 30 DDEDHM C=CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccncc1 ZINC000823888821 607739312 /nfs/dbraw/zinc/73/93/12/607739312.db2.gz XVKHCDFKISSCTK-LLVKDONJSA-N -1 3 309.333 1.637 20 30 DDEDHM N#Cc1ccc(OCCNc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000822833322 606093808 /nfs/dbraw/zinc/09/38/08/606093808.db2.gz OBVWCSLZTNSODI-UHFFFAOYSA-N -1 3 307.317 1.624 20 30 DDEDHM N#Cc1ccc(OCCNc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000822833322 606093812 /nfs/dbraw/zinc/09/38/12/606093812.db2.gz OBVWCSLZTNSODI-UHFFFAOYSA-N -1 3 307.317 1.624 20 30 DDEDHM c1cc(-c2nnn[n-]2)sc1CN=Nc1ncnc2[nH]cnc21 ZINC000819718596 606369495 /nfs/dbraw/zinc/36/94/95/606369495.db2.gz KWDYJUMTSGEWEV-UHFFFAOYSA-N -1 3 312.322 1.041 20 30 DDEDHM N#Cc1cccc(NCCNc2ncccc2-c2nnn[n-]2)n1 ZINC000822837616 606461507 /nfs/dbraw/zinc/46/15/07/606461507.db2.gz PKVBKEGXBZZGAG-UHFFFAOYSA-N -1 3 307.321 1.052 20 30 DDEDHM N#Cc1cccc(NCCNc2ncccc2-c2nn[n-]n2)n1 ZINC000822837616 606461509 /nfs/dbraw/zinc/46/15/09/606461509.db2.gz PKVBKEGXBZZGAG-UHFFFAOYSA-N -1 3 307.321 1.052 20 30 DDEDHM CC(C)(C)[C@@H](C#N)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819899381 606704719 /nfs/dbraw/zinc/70/47/19/606704719.db2.gz ULRLYRGLFNEUMB-LLVKDONJSA-N -1 3 320.378 1.083 20 30 DDEDHM CC(C)(C)[C@@H](C#N)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819899381 606704721 /nfs/dbraw/zinc/70/47/21/606704721.db2.gz ULRLYRGLFNEUMB-LLVKDONJSA-N -1 3 320.378 1.083 20 30 DDEDHM C#CCCCCNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819692310 606953797 /nfs/dbraw/zinc/95/37/97/606953797.db2.gz BPJUDIVLEUWKRA-UHFFFAOYSA-N -1 3 302.313 1.931 20 30 DDEDHM C#CCCCCNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819692310 606953799 /nfs/dbraw/zinc/95/37/99/606953799.db2.gz BPJUDIVLEUWKRA-UHFFFAOYSA-N -1 3 302.313 1.931 20 30 DDEDHM C[C@@H](CC#N)N(C)CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000820220437 607086979 /nfs/dbraw/zinc/08/69/79/607086979.db2.gz UZAAFDSBKCILRK-QMMMGPOBSA-N -1 3 305.367 1.101 20 30 DDEDHM C[C@@H](CC#N)N(C)CC(=O)Nc1sccc1-c1nn[n-]n1 ZINC000820220437 607086981 /nfs/dbraw/zinc/08/69/81/607086981.db2.gz UZAAFDSBKCILRK-QMMMGPOBSA-N -1 3 305.367 1.101 20 30 DDEDHM CC[C@@H](C)OCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000825073738 607785584 /nfs/dbraw/zinc/78/55/84/607785584.db2.gz BFSRJQYXSYJHGV-SECBINFHSA-N -1 3 300.322 1.492 20 30 DDEDHM CC[C@@H](C)OCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000825073738 607785585 /nfs/dbraw/zinc/78/55/85/607785585.db2.gz BFSRJQYXSYJHGV-SECBINFHSA-N -1 3 300.322 1.492 20 30 DDEDHM NC(=O)c1cccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826393188 607889943 /nfs/dbraw/zinc/88/99/43/607889943.db2.gz GNIQLCKIYPEKRR-UHFFFAOYSA-N -1 3 321.344 1.089 20 30 DDEDHM NC(=O)c1cccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826393188 607889944 /nfs/dbraw/zinc/88/99/44/607889944.db2.gz GNIQLCKIYPEKRR-UHFFFAOYSA-N -1 3 321.344 1.089 20 30 DDEDHM C[C@@]1(C#N)CCCN(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824777944 608140153 /nfs/dbraw/zinc/14/01/53/608140153.db2.gz LPNVUCBRIIDYGO-INIZCTEOSA-N -1 3 310.361 1.561 20 30 DDEDHM C[C@@]1(C#N)CCCN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824777944 608140154 /nfs/dbraw/zinc/14/01/54/608140154.db2.gz LPNVUCBRIIDYGO-INIZCTEOSA-N -1 3 310.361 1.561 20 30 DDEDHM C[C@]1(C#N)CCCN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824779791 608140545 /nfs/dbraw/zinc/14/05/45/608140545.db2.gz WPYUZSPELPKVGW-MRXNPFEDSA-N -1 3 310.361 1.561 20 30 DDEDHM C[C@]1(C#N)CCCN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824779791 608140546 /nfs/dbraw/zinc/14/05/46/608140546.db2.gz WPYUZSPELPKVGW-MRXNPFEDSA-N -1 3 310.361 1.561 20 30 DDEDHM Cc1noc(C)c1C=NNc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826338794 608537419 /nfs/dbraw/zinc/53/74/19/608537419.db2.gz IMRTWWHLDSJVLZ-UHFFFAOYSA-N -1 3 318.728 1.966 20 30 DDEDHM Cc1noc(C)c1C=NNc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826338794 608537418 /nfs/dbraw/zinc/53/74/18/608537418.db2.gz IMRTWWHLDSJVLZ-UHFFFAOYSA-N -1 3 318.728 1.966 20 30 DDEDHM C=CCOc1cccnc1C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000823931765 608543575 /nfs/dbraw/zinc/54/35/75/608543575.db2.gz FEOIJHLKKOLSEN-UHFFFAOYSA-N -1 3 323.316 1.474 20 30 DDEDHM C=CCOc1cccnc1C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000823931765 608543577 /nfs/dbraw/zinc/54/35/77/608543577.db2.gz FEOIJHLKKOLSEN-UHFFFAOYSA-N -1 3 323.316 1.474 20 30 DDEDHM C[C@H](NC(=O)c1c[nH]c(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824513563 609219201 /nfs/dbraw/zinc/21/92/01/609219201.db2.gz CHPDXBQZDMGZOF-VIFPVBQESA-N -1 3 307.317 1.557 20 30 DDEDHM C[C@H](NC(=O)c1c[nH]c(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000824513563 609219203 /nfs/dbraw/zinc/21/92/03/609219203.db2.gz CHPDXBQZDMGZOF-VIFPVBQESA-N -1 3 307.317 1.557 20 30 DDEDHM N#C[C@H]1CCC[C@H]1NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826381034 609264425 /nfs/dbraw/zinc/26/44/25/609264425.db2.gz VPDPUFYTSXGCFC-PRHODGIISA-N -1 3 315.312 1.820 20 30 DDEDHM N#C[C@H]1CCC[C@H]1NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826381034 609264426 /nfs/dbraw/zinc/26/44/26/609264426.db2.gz VPDPUFYTSXGCFC-PRHODGIISA-N -1 3 315.312 1.820 20 30 DDEDHM Cc1nn(C)cc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826334191 609272545 /nfs/dbraw/zinc/27/25/45/609272545.db2.gz LCSDCQUTPBXRMO-XQRVVYSFSA-N -1 3 312.308 1.944 20 30 DDEDHM Cc1nn(C)cc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826334191 609272547 /nfs/dbraw/zinc/27/25/47/609272547.db2.gz LCSDCQUTPBXRMO-XQRVVYSFSA-N -1 3 312.308 1.944 20 30 DDEDHM C=C(C)CN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000823878066 609328270 /nfs/dbraw/zinc/32/82/70/609328270.db2.gz NGJOHZNKVWCXGX-UHFFFAOYSA-N -1 3 307.379 1.372 20 30 DDEDHM C=C(C)CN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000823878066 609328268 /nfs/dbraw/zinc/32/82/68/609328268.db2.gz NGJOHZNKVWCXGX-UHFFFAOYSA-N -1 3 307.379 1.372 20 30 DDEDHM N#CCOc1cccc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC000826381941 609438359 /nfs/dbraw/zinc/43/83/59/609438359.db2.gz HDSPWLCKUVLHGA-UHFFFAOYSA-N -1 3 309.289 1.349 20 30 DDEDHM N#CCOc1cccc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC000826381941 609438362 /nfs/dbraw/zinc/43/83/62/609438362.db2.gz HDSPWLCKUVLHGA-UHFFFAOYSA-N -1 3 309.289 1.349 20 30 DDEDHM CC(=NN[C@H]1CCO[C@@H](C)C1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823953607 609518830 /nfs/dbraw/zinc/51/88/30/609518830.db2.gz ISGFPRUWMBSIBC-CABZTGNLSA-N -1 3 318.356 1.887 20 30 DDEDHM CC(=NN[C@H]1CCO[C@@H](C)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823953607 609518832 /nfs/dbraw/zinc/51/88/32/609518832.db2.gz ISGFPRUWMBSIBC-CABZTGNLSA-N -1 3 318.356 1.887 20 30 DDEDHM C=CCOCCNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823926015 609605799 /nfs/dbraw/zinc/60/57/99/609605799.db2.gz VSBCOZFRKHDBFP-NSHDSACASA-N -1 3 316.365 1.430 20 30 DDEDHM C=CCOCCNC(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823926015 609605801 /nfs/dbraw/zinc/60/58/01/609605801.db2.gz VSBCOZFRKHDBFP-NSHDSACASA-N -1 3 316.365 1.430 20 30 DDEDHM C=CCOCCNC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000823925296 609607606 /nfs/dbraw/zinc/60/76/06/609607606.db2.gz HJWXWHGSQJSGGM-UHFFFAOYSA-N -1 3 301.350 1.118 20 30 DDEDHM C=CCOCCNC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000823925296 609607608 /nfs/dbraw/zinc/60/76/08/609607608.db2.gz HJWXWHGSQJSGGM-UHFFFAOYSA-N -1 3 301.350 1.118 20 30 DDEDHM Cn1ccnc1C([O-])=C(C#N)C(=O)C=Cc1ccc2c(c1)OCO2 ZINC000123157249 696729304 /nfs/dbraw/zinc/72/93/04/696729304.db2.gz RPMDZLHCLXVPOG-FXMSTWTQSA-N -1 3 323.308 1.754 20 30 DDEDHM Cn1ccnc1C(=O)C(C#N)=C([O-])C=Cc1ccc2c(c1)OCO2 ZINC000123157249 696729307 /nfs/dbraw/zinc/72/93/07/696729307.db2.gz RPMDZLHCLXVPOG-FXMSTWTQSA-N -1 3 323.308 1.754 20 30 DDEDHM Cn1cccc1C=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000746492462 700027231 /nfs/dbraw/zinc/02/72/31/700027231.db2.gz WMUWGUVLCLMJPT-UHFFFAOYSA-N -1 3 322.346 1.387 20 30 DDEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1nccn1C ZINC000125117202 696749606 /nfs/dbraw/zinc/74/96/06/696749606.db2.gz LXOHVCBINQSSTG-UHFFFAOYSA-N -1 3 314.345 1.273 20 30 DDEDHM C#CCCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F ZINC000177723247 697416388 /nfs/dbraw/zinc/41/63/88/697416388.db2.gz KCKZGAAOGFKCRR-UHFFFAOYSA-N -1 3 317.313 1.443 20 30 DDEDHM C#C[C@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)[C@@H]1CCCO1 ZINC000773051514 697706308 /nfs/dbraw/zinc/70/63/08/697706308.db2.gz NWIZCLYSGKTAJI-STQMWFEESA-N -1 3 315.341 1.732 20 30 DDEDHM C#C[C@@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)[C@H]1CCCO1 ZINC000773055068 697707545 /nfs/dbraw/zinc/70/75/45/697707545.db2.gz IVGIOVBLADAKIV-CHWSQXEVSA-N -1 3 301.314 1.424 20 30 DDEDHM C#C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)[C@H]1CCCO1 ZINC000773054849 697707697 /nfs/dbraw/zinc/70/76/97/697707697.db2.gz KMWDWCDARRFTFN-VXGBXAGGSA-N -1 3 301.314 1.424 20 30 DDEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccn(C(F)F)n1 ZINC000776082226 698065036 /nfs/dbraw/zinc/06/50/36/698065036.db2.gz WLLBDJWYNAFNAP-MRVPVSSYSA-N -1 3 305.244 1.634 20 30 DDEDHM C[C@@H](C#N)OC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000750218340 700210017 /nfs/dbraw/zinc/21/00/17/700210017.db2.gz TXJCPKHISRYEPN-LURJTMIESA-N -1 3 308.768 1.135 20 30 DDEDHM Cc1ccc(-n2cnnn2)cc1N=Cc1ccc(O)c([O-])c1O ZINC000255588701 698420675 /nfs/dbraw/zinc/42/06/75/698420675.db2.gz CZDIKIIDQWYNDZ-UHFFFAOYSA-N -1 3 311.301 1.838 20 30 DDEDHM C=C(C)CN1CCC(NC(=O)N[C@@](C)(C(=O)[O-])C2CC2)CC1 ZINC000780566172 698532753 /nfs/dbraw/zinc/53/27/53/698532753.db2.gz POOQDFINDPLZPJ-MRXNPFEDSA-N -1 3 309.410 1.579 20 30 DDEDHM C[C@@H]1CC[C@H](NC(=O)C/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000781091247 698589934 /nfs/dbraw/zinc/58/99/34/698589934.db2.gz VKGZUVKZLNOPGI-MNOVXSKESA-N -1 3 321.402 1.030 20 30 DDEDHM CCOC(=O)c1cc(NC(=O)Cc2ccccc2CC#N)[n-]n1 ZINC000781431485 698619279 /nfs/dbraw/zinc/61/92/79/698619279.db2.gz VLXJHZVNPGULPS-UHFFFAOYSA-N -1 3 312.329 1.834 20 30 DDEDHM CCOC(=O)c1cc(NC(=O)Cc2ccccc2CC#N)n[n-]1 ZINC000781431485 698619282 /nfs/dbraw/zinc/61/92/82/698619282.db2.gz VLXJHZVNPGULPS-UHFFFAOYSA-N -1 3 312.329 1.834 20 30 DDEDHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCCCC(C)(C)C#N ZINC000784258491 698921731 /nfs/dbraw/zinc/92/17/31/698921731.db2.gz RZLLMVIIYNORBK-LLVKDONJSA-N -1 3 318.439 1.823 20 30 DDEDHM Cc1ncc(CO)c(/C=N\[C@H](C)c2nnnn2C2CC2)c1[O-] ZINC000790098350 699442908 /nfs/dbraw/zinc/44/29/08/699442908.db2.gz HATQPXAXLBHQDH-DYCBTQOFSA-N -1 3 302.338 1.089 20 30 DDEDHM C[C@H](OC(=O)c1cncc([O-])c1)C(=O)Nc1cccc(C#N)c1 ZINC000731916090 699540895 /nfs/dbraw/zinc/54/08/95/699540895.db2.gz PWWSRRUVLYLNJQ-JTQLQIEISA-N -1 3 311.297 1.843 20 30 DDEDHM C[C@@H](CC(=O)N[C@@H]1C[C@H]1C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000791356085 699626518 /nfs/dbraw/zinc/62/65/18/699626518.db2.gz LNQDBDGISQJXDF-JFGNBEQYSA-N -1 3 321.402 1.028 20 30 DDEDHM C[C@H](NC(=O)Cn1ccc(C=N[O-])nc1=O)c1ccc(F)cc1 ZINC000736302102 699723106 /nfs/dbraw/zinc/72/31/06/699723106.db2.gz FWXMCPPQBPSQTB-JTQLQIEISA-N -1 3 318.308 1.068 20 30 DDEDHM CCOC(=O)c1ncc(NC(=O)c2ccccc2OCC#N)[n-]1 ZINC000793963877 699789519 /nfs/dbraw/zinc/78/95/19/699789519.db2.gz MWENUWSBKNHUTN-UHFFFAOYSA-N -1 3 314.301 1.741 20 30 DDEDHM CCOC(=O)c1nc(NC(=O)c2ccccc2OCC#N)c[n-]1 ZINC000793963877 699789521 /nfs/dbraw/zinc/78/95/21/699789521.db2.gz MWENUWSBKNHUTN-UHFFFAOYSA-N -1 3 314.301 1.741 20 30 DDEDHM Cc1nn(Cc2ccccc2)c(C)c1C=NN1CC(=O)[N-]C1=O ZINC000744809862 699961663 /nfs/dbraw/zinc/96/16/63/699961663.db2.gz AAPAFAHHSGVAFY-UHFFFAOYSA-N -1 3 311.345 1.434 20 30 DDEDHM C#CCCOC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000765460049 701013630 /nfs/dbraw/zinc/01/36/30/701013630.db2.gz GGVFOEQSQQHGED-UHFFFAOYSA-N -1 3 307.780 1.246 20 30 DDEDHM COc1cc(O)c(C=N[N-]c2[nH+]cnc3[n-]cnc32)cc1OC ZINC000768361012 701171385 /nfs/dbraw/zinc/17/13/85/701171385.db2.gz PXCMJMJHLDOBKB-UHFFFAOYSA-N -1 3 314.305 1.522 20 30 DDEDHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-][C@H](C#N)C(C)C)c1 ZINC000768883235 701213717 /nfs/dbraw/zinc/21/37/17/701213717.db2.gz YOVGNGOQJVUVOP-LLVKDONJSA-N -1 3 314.338 1.439 20 30 DDEDHM CC1(C)CC[C@H]1NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000805245789 701373961 /nfs/dbraw/zinc/37/39/61/701373961.db2.gz BVSWDFHLKOEPHV-GFCCVEGCSA-N -1 3 321.402 1.030 20 30 DDEDHM O=C(Nc1cc(C(F)(F)F)ccn1)N[C@@H]1CCCN([O-])C1=O ZINC000879161387 706602913 /nfs/dbraw/zinc/60/29/13/706602913.db2.gz HAKRDQGTBLNEKZ-MRVPVSSYSA-N -1 3 318.255 1.602 20 30 DDEDHM C#CCCS(=O)(=O)[N-][C@]1(C(=O)OCC)CCc2ccccc21 ZINC000808293065 701512539 /nfs/dbraw/zinc/51/25/39/701512539.db2.gz RPNDWWXTLZWANP-MRXNPFEDSA-N -1 3 321.398 1.334 20 30 DDEDHM C=CCC1(S(=O)(=O)[N-]C(=O)[C@@H](CC)N(CC)CC)CC1 ZINC000810983080 701889166 /nfs/dbraw/zinc/88/91/66/701889166.db2.gz GUKPXNKJMOKILU-GFCCVEGCSA-N -1 3 302.440 1.662 20 30 DDEDHM O=C(N[C@H]1CCN([O-])C1=O)c1csc(Br)c1 ZINC000816693040 702152262 /nfs/dbraw/zinc/15/22/62/702152262.db2.gz APSZRALXTIZSAK-LURJTMIESA-N -1 3 305.153 1.231 20 30 DDEDHM Cc1ccc(OCCCC(=O)N[C@H]2CCN([O-])C2=O)cc1C ZINC000816696825 702156809 /nfs/dbraw/zinc/15/68/09/702156809.db2.gz IWROABMWYNVDTO-AWEZNQCLSA-N -1 3 306.362 1.569 20 30 DDEDHM Cc1cc(F)cc2[nH]c(C(=O)N[C@H]3CCCN([O-])C3=O)cc21 ZINC000816758874 702185292 /nfs/dbraw/zinc/18/52/92/702185292.db2.gz 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C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)C=C)ccc1F ZINC000757003442 700651978 /nfs/dbraw/zinc/65/19/78/700651978.db2.gz DUSRWECCBGPDBA-JTQLQIEISA-N -1 3 312.366 1.594 20 30 DDEDHM CCC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccn(C)n1 ZINC000758109843 700684183 /nfs/dbraw/zinc/68/41/83/700684183.db2.gz SKOAREANJVLHRN-UHFFFAOYSA-N -1 3 306.391 1.654 20 30 DDEDHM C=CCCC(=O)COC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000761419305 700859885 /nfs/dbraw/zinc/85/98/85/700859885.db2.gz RIAFSKMUBREWBG-LLVKDONJSA-N -1 3 305.396 1.029 20 30 DDEDHM Brc1cncc(C=N[N-]c2[nH+]cnc3[n-]cnc32)c1 ZINC000767371326 701101650 /nfs/dbraw/zinc/10/16/50/701101650.db2.gz WWUJRMHTIZIUGN-UHFFFAOYSA-N -1 3 318.138 1.956 20 30 DDEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)NC1(C#N)CCC1 ZINC000811185005 701930903 /nfs/dbraw/zinc/93/09/03/701930903.db2.gz WQVZMMZTDZXUBC-SNVBAGLBSA-N -1 3 313.313 1.372 20 30 DDEDHM CNC(=O)c1ccc(COC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000811187586 701932447 /nfs/dbraw/zinc/93/24/47/701932447.db2.gz JRFYMYIIEGQGMG-UHFFFAOYSA-N -1 3 310.309 1.980 20 30 DDEDHM N#Cc1cc([O-])cc(C(=O)OCCn2ccc([N+](=O)[O-])n2)c1 ZINC000811187834 701932455 /nfs/dbraw/zinc/93/24/55/701932455.db2.gz ZSCVFZGWRMFIQO-UHFFFAOYSA-N -1 3 302.246 1.226 20 30 DDEDHM O=C(N[C@H]1CCN([O-])C1=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000816692806 702152230 /nfs/dbraw/zinc/15/22/30/702152230.db2.gz WFOMKERBJKRDKA-JTQLQIEISA-N -1 3 321.720 1.715 20 30 DDEDHM O=C(N[C@H]1CCN([O-])C1=O)c1ccc(OC2CCCC2)cc1 ZINC000816693914 702153601 /nfs/dbraw/zinc/15/36/01/702153601.db2.gz VNOLGWYGWTVWQP-AWEZNQCLSA-N -1 3 304.346 1.728 20 30 DDEDHM O=C(N[C@H]1CCN([O-])C1=O)c1ccnc(OC2CCCCC2)c1 ZINC000816695731 702155619 /nfs/dbraw/zinc/15/56/19/702155619.db2.gz JUXUKXDZNNHIGN-ZDUSSCGKSA-N -1 3 319.361 1.513 20 30 DDEDHM COc1ccc(CCC(=O)N[C@@H]2CCCN([O-])C2=O)cc1F ZINC000816754012 702179478 /nfs/dbraw/zinc/17/94/78/702179478.db2.gz UKWZJTXQDLTMCR-GFCCVEGCSA-N -1 3 310.325 1.263 20 30 DDEDHM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000816755121 702180354 /nfs/dbraw/zinc/18/03/54/702180354.db2.gz TUEAZZNZVMSBKZ-PRHODGIISA-N -1 3 314.288 1.229 20 30 DDEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1c(Cl)nc2ccccn21 ZINC000816756275 702182011 /nfs/dbraw/zinc/18/20/11/702182011.db2.gz UKNHOOIOADZZPC-QMMMGPOBSA-N -1 3 308.725 1.098 20 30 DDEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc(NCC2CC2)nc1 ZINC000816756925 702182485 /nfs/dbraw/zinc/18/24/85/702182485.db2.gz IFGJRIHYQRIADK-GFCCVEGCSA-N -1 3 304.350 1.014 20 30 DDEDHM CCN(C)[C@@H](C(=O)N[C@H]1CCCN([O-])C1=O)c1ccccc1 ZINC000816757185 702183633 /nfs/dbraw/zinc/18/36/33/702183633.db2.gz NDJKKMUFWUDJKQ-UONOGXRCSA-N -1 3 305.378 1.176 20 30 DDEDHM COc1ccc(C(=O)CCC(=O)N[C@H]2CCCN([O-])C2=O)cc1 ZINC000816758551 702184602 /nfs/dbraw/zinc/18/46/02/702184602.db2.gz RPUOROUKLMLHEL-ZDUSSCGKSA-N -1 3 320.345 1.155 20 30 DDEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cc2ccccc2[nH]c1=O ZINC000816758837 702185562 /nfs/dbraw/zinc/18/55/62/702185562.db2.gz YTABGHLDJUFDPM-GFCCVEGCSA-N -1 3 301.302 1.050 20 30 DDEDHM Cc1nc2cc(F)ccc2cc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000816759721 702186304 /nfs/dbraw/zinc/18/63/04/702186304.db2.gz SUWYLCNCCFJKQG-ZDUSSCGKSA-N -1 3 317.320 1.792 20 30 DDEDHM C#CC[C@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1F)C(=O)OC ZINC000841539690 702488676 /nfs/dbraw/zinc/48/86/76/702488676.db2.gz DYFHWFIWRPZBIQ-NSHDSACASA-N -1 3 317.313 1.116 20 30 DDEDHM CCOc1cc(C=Nn2cnn(CC)c2=O)cc(Cl)c1[O-] ZINC000814235255 702501438 /nfs/dbraw/zinc/50/14/38/702501438.db2.gz BVOXPEGLISPRFQ-UHFFFAOYSA-N -1 3 310.741 1.705 20 30 DDEDHM C=C[C@@H](C)ONC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000845634183 703185089 /nfs/dbraw/zinc/18/50/89/703185089.db2.gz RGQTWVNQAKATJI-GFCCVEGCSA-N -1 3 319.361 1.366 20 30 DDEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccccc1N1CCCCC1 ZINC000848133007 703511395 /nfs/dbraw/zinc/51/13/95/703511395.db2.gz RKRIIUATSFBVJP-CQSZACIVSA-N -1 3 317.389 1.787 20 30 DDEDHM Cc1cc2c(cc1C)[C@@H](C(=O)N[C@@H]1CCCN([O-])C1=O)CO2 ZINC000848134074 703512215 /nfs/dbraw/zinc/51/22/15/703512215.db2.gz NDFMUTITYIRNSD-QWHCGFSZSA-N -1 3 304.346 1.276 20 30 DDEDHM C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848138091 703513880 /nfs/dbraw/zinc/51/38/80/703513880.db2.gz LQYFNCSBYOJIFB-IAQYHMDHSA-N -1 3 318.373 1.439 20 30 DDEDHM C#C[C@@H]([N-]S(=O)(=O)c1cnc(CC)s1)C1CCOCC1 ZINC000851826973 703865768 /nfs/dbraw/zinc/86/57/68/703865768.db2.gz DCQOLJCGYNDVKS-LLVKDONJSA-N -1 3 314.432 1.412 20 30 DDEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccc(SC(F)(F)F)nc1 ZINC000820126785 704225298 /nfs/dbraw/zinc/22/52/98/704225298.db2.gz GDBQJEHKURHUNW-SSDOTTSWSA-N -1 3 321.280 1.413 20 30 DDEDHM Cc1ccc(-c2nc(C(=O)N[C@H]3CCN([O-])C3=O)cs2)n1C ZINC000820147918 704229980 /nfs/dbraw/zinc/22/99/80/704229980.db2.gz ALDCQCSAEUJOJS-VIFPVBQESA-N -1 3 320.374 1.177 20 30 DDEDHM C[C@H](CC(=O)N[C@H]1CCN([O-])C1=O)C(=O)c1ccc(Cl)cc1 ZINC000820148459 704230771 /nfs/dbraw/zinc/23/07/71/704230771.db2.gz GSHKXAOTGYJUOU-SKDRFNHKSA-N -1 3 324.764 1.655 20 30 DDEDHM O=C(N[C@H]1CCN([O-])C1=O)c1ccn(-c2ccc(Cl)cc2)n1 ZINC000820179433 704236051 /nfs/dbraw/zinc/23/60/51/704236051.db2.gz KZIVBQABXGXPMF-LBPRGKRZSA-N -1 3 320.736 1.246 20 30 DDEDHM Cc1cc(C(=O)N[C@H]2CCN([O-])C2=O)c2c(n1)onc2C(C)C ZINC000820185027 704237192 /nfs/dbraw/zinc/23/71/92/704237192.db2.gz HNFSKCFGGTZPDU-JTQLQIEISA-N -1 3 318.333 1.375 20 30 DDEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1c[nH]cc1Cc1ccccc1 ZINC000820544175 704297090 /nfs/dbraw/zinc/29/70/90/704297090.db2.gz GAQSCEOGZVVBCG-OAHLLOKOSA-N -1 3 313.357 1.716 20 30 DDEDHM C#CCOCCOC(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000853891142 704331191 /nfs/dbraw/zinc/33/11/91/704331191.db2.gz UXAXWDOHJATMCP-CQSZACIVSA-N -1 3 317.341 1.190 20 30 DDEDHM COc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c(O)c1 ZINC000821786737 704807689 /nfs/dbraw/zinc/80/76/89/704807689.db2.gz IQMMYIHRRZUHQZ-UHFFFAOYSA-N -1 3 324.344 1.705 20 30 DDEDHM C#CCOCCNc1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000823855872 705329465 /nfs/dbraw/zinc/32/94/65/705329465.db2.gz CDUXMYIGAFNKMP-UHFFFAOYSA-N -1 3 312.255 1.342 20 30 DDEDHM C#CCOCCNc1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000823855872 705329469 /nfs/dbraw/zinc/32/94/69/705329469.db2.gz CDUXMYIGAFNKMP-UHFFFAOYSA-N -1 3 312.255 1.342 20 30 DDEDHM CC(C)(C(=O)N[C@H]1CCCN([O-])C1=O)c1ccc(C#N)cc1 ZINC000861827097 705578826 /nfs/dbraw/zinc/57/88/26/705578826.db2.gz FPVUOLJJXPGJEX-ZDUSSCGKSA-N -1 3 301.346 1.332 20 30 DDEDHM N#Cc1cc(NC(=O)[C@H]2CCCCS2)ccc1-c1nnn[n-]1 ZINC000826384328 705797233 /nfs/dbraw/zinc/79/72/33/705797233.db2.gz QWRQAYBYBPESLM-GFCCVEGCSA-N -1 3 314.374 1.963 20 30 DDEDHM N#Cc1cc(NC(=O)[C@H]2CCCCS2)ccc1-c1nn[n-]n1 ZINC000826384328 705797238 /nfs/dbraw/zinc/79/72/38/705797238.db2.gz QWRQAYBYBPESLM-GFCCVEGCSA-N -1 3 314.374 1.963 20 30 DDEDHM N#Cc1cc(C(=O)OCCOc2ccc(-c3nn[n-]n3)cc2)c[nH]1 ZINC000826383763 705797713 /nfs/dbraw/zinc/79/77/13/705797713.db2.gz PDHYGXVCQMAHBI-UHFFFAOYSA-N -1 3 324.300 1.302 20 30 DDEDHM O=S1(=O)CCC[C@@H](NN=Cc2cc(Cl)ccc2[O-])C1 ZINC000863129379 705864038 /nfs/dbraw/zinc/86/40/38/705864038.db2.gz LFQUNYBUCXRRBR-LLVKDONJSA-N -1 3 302.783 1.546 20 30 DDEDHM COc1cc(N=Cc2c([O-])c(C)ncc2CO)cnc1OC ZINC000864344622 706143357 /nfs/dbraw/zinc/14/33/57/706143357.db2.gz CUABHMLDFIYUSW-UHFFFAOYSA-N -1 3 303.318 1.751 20 30 DDEDHM O=C(Nc1ccc(OC(F)F)cc1)N[C@@H]1CCCN([O-])C1=O ZINC000877955948 706249851 /nfs/dbraw/zinc/24/98/51/706249851.db2.gz ROWUPOGEFHVQHX-SNVBAGLBSA-N -1 3 315.276 1.790 20 30 DDEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000829724432 706383133 /nfs/dbraw/zinc/38/31/33/706383133.db2.gz LSYVTHLZKPSZTJ-YFKPBYRVSA-N -1 3 324.587 1.688 20 30 DDEDHM N#CCC1(CS(=O)(=O)[N-]CC(=O)OCc2ccccc2)CC1 ZINC000829684365 706377038 /nfs/dbraw/zinc/37/70/38/706377038.db2.gz NOTZAXHMKFYROX-UHFFFAOYSA-N -1 3 322.386 1.343 20 30 DDEDHM N#CC[C@@H]1CC[C@H]([N-]S(=O)(=O)N=S2(=O)CCCC2)C1 ZINC000867332855 706964230 /nfs/dbraw/zinc/96/42/30/706964230.db2.gz DJCSNUZHOCYXOK-QWRGUYRKSA-N -1 3 305.425 1.165 20 30 DDEDHM N#CCCCC[N-]S(=O)(=O)c1cccc(Br)n1 ZINC000872446803 707415092 /nfs/dbraw/zinc/41/50/92/707415092.db2.gz RFVMNPVAULTPJA-UHFFFAOYSA-N -1 3 318.196 1.816 20 30 DDEDHM C#CC1(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])CCCC1 ZINC000882535233 707686196 /nfs/dbraw/zinc/68/61/96/707686196.db2.gz PULMWAXGRAANMG-UHFFFAOYSA-N -1 3 314.385 1.883 20 30 DDEDHM C=CC[C@H](OC(=O)c1n[n-]c2c1cccc2OC)C(=O)OC ZINC000884511913 708319675 /nfs/dbraw/zinc/31/96/75/708319675.db2.gz SMIFYHYAYILXAO-NSHDSACASA-N -1 3 304.302 1.846 20 30 DDEDHM C=CC[C@H](OC(=O)c1[n-]nc2c1cccc2OC)C(=O)OC ZINC000884511913 708319679 /nfs/dbraw/zinc/31/96/79/708319679.db2.gz SMIFYHYAYILXAO-NSHDSACASA-N -1 3 304.302 1.846 20 30 DDEDHM COc1cc(C(=O)N2CCO[C@](C)(C#N)C2)cc(OC)c1[O-] ZINC000887680861 709100733 /nfs/dbraw/zinc/10/07/33/709100733.db2.gz OMYXNUXJGNGDEO-OAHLLOKOSA-N -1 3 306.318 1.164 20 30 DDEDHM COC(=O)C1([N-]C(=O)C(F)(F)c2ccccc2C#N)CCC1 ZINC000901164021 709952104 /nfs/dbraw/zinc/95/21/04/709952104.db2.gz JLQFZGNFNFSDTO-UHFFFAOYSA-N -1 3 308.284 1.862 20 30 DDEDHM CCn1ncc(/C=C/C(=O)c2cc(OC)c([O-])cc2OC)n1 ZINC000901485363 710053085 /nfs/dbraw/zinc/05/30/85/710053085.db2.gz HUBSOIAFYPEVAJ-AATRIKPKSA-N -1 3 303.318 1.917 20 30 DDEDHM C=CCOC[C@H](NCc1cccc2c1OC(F)(F)O2)C(=O)[O-] ZINC000901809328 710152790 /nfs/dbraw/zinc/15/27/90/710152790.db2.gz CEAHGTMSJVFKJF-JTQLQIEISA-N -1 3 315.272 1.754 20 30 DDEDHM CSc1[n-]c(=O)c(C(=O)N[C@H]2CCN(C)[C@@H]2C)cc1C#N ZINC000928451178 713202580 /nfs/dbraw/zinc/20/25/80/713202580.db2.gz JZQGOSFWTHDVAA-KCJUWKMLSA-N -1 3 306.391 1.203 20 30 DDEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1cnn(C)c1Br ZINC000903095223 711030754 /nfs/dbraw/zinc/03/07/54/711030754.db2.gz MHVDWPRAIUOQEZ-SSDOTTSWSA-N -1 3 321.200 1.153 20 30 DDEDHM CCCCN([O-])C(=O)CNS(=O)(=O)c1ccccc1F ZINC000904208968 711410032 /nfs/dbraw/zinc/41/00/32/711410032.db2.gz OIYOZEMPVDFUEN-UHFFFAOYSA-N -1 3 304.343 1.122 20 30 DDEDHM CCCCN([O-])C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000904212165 711410655 /nfs/dbraw/zinc/41/06/55/711410655.db2.gz LUSTXCPHXXSEGM-NSHDSACASA-N -1 3 302.371 1.640 20 30 DDEDHM 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C=CC[C@H](C)NC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735410336 599213503 /nfs/dbraw/zinc/21/35/03/599213503.db2.gz ZLTRHXJCLFTBIN-NSHDSACASA-N -1 3 300.366 1.973 20 30 DDEDHM N#CCCn1ccc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737694798 599260754 /nfs/dbraw/zinc/26/07/54/599260754.db2.gz PXXKQXZGODYFMY-UHFFFAOYSA-N -1 3 322.332 1.158 20 30 DDEDHM N#CCCn1ccc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737694798 599260756 /nfs/dbraw/zinc/26/07/56/599260756.db2.gz PXXKQXZGODYFMY-UHFFFAOYSA-N -1 3 322.332 1.158 20 30 DDEDHM CC[C@H](C#N)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736308805 598668355 /nfs/dbraw/zinc/66/83/55/598668355.db2.gz IGKPLWCNAQTHSK-SNVBAGLBSA-N -1 3 302.363 1.377 20 30 DDEDHM CC[C@H](C#N)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736308805 598668357 /nfs/dbraw/zinc/66/83/57/598668357.db2.gz IGKPLWCNAQTHSK-SNVBAGLBSA-N -1 3 302.363 1.377 20 30 DDEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)N(C)[C@@H](C)CC#N ZINC000736184377 598752828 /nfs/dbraw/zinc/75/28/28/598752828.db2.gz ZOFKVYSCZKLXRF-WDEREUQCSA-N -1 3 314.349 1.395 20 30 DDEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)N(C)[C@@H](C)CC#N ZINC000736184377 598752830 /nfs/dbraw/zinc/75/28/30/598752830.db2.gz ZOFKVYSCZKLXRF-WDEREUQCSA-N -1 3 314.349 1.395 20 30 DDEDHM C=CCCCN(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000736102260 600273377 /nfs/dbraw/zinc/27/33/77/600273377.db2.gz FMBFIQQBGZRZJF-INIZCTEOSA-N -1 3 316.401 1.923 20 30 DDEDHM C=CCN(CC=C)C(=O)[C@@H](C)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736108061 600308266 /nfs/dbraw/zinc/30/82/66/600308266.db2.gz IQZMQEYRZZXROR-KGLIPLIRSA-N -1 3 306.406 1.762 20 30 DDEDHM C=CCCO[C@H](C)C(=O)N(C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823899242 607438109 /nfs/dbraw/zinc/43/81/09/607438109.db2.gz RMSJSJPXSRIZSO-LLVKDONJSA-N -1 3 301.350 1.811 20 30 DDEDHM C=CCCO[C@H](C)C(=O)N(C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823899242 607438111 /nfs/dbraw/zinc/43/81/11/607438111.db2.gz RMSJSJPXSRIZSO-LLVKDONJSA-N -1 3 301.350 1.811 20 30 DDEDHM C=C1CCN(S(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC000823883010 607610911 /nfs/dbraw/zinc/61/09/11/607610911.db2.gz IKXVXMMGDMARKO-UHFFFAOYSA-N -1 3 305.363 1.207 20 30 DDEDHM C=C1CCN(S(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC000823883010 607610912 /nfs/dbraw/zinc/61/09/12/607610912.db2.gz IKXVXMMGDMARKO-UHFFFAOYSA-N -1 3 305.363 1.207 20 30 DDEDHM C=CCN1CCC(NC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)CC1 ZINC000736106371 603298634 /nfs/dbraw/zinc/29/86/34/603298634.db2.gz BHBPJRVBWHKMNT-CYBMUJFWSA-N -1 3 310.398 1.078 20 30 DDEDHM CN=c1scc(C)n1N=Cc1cc(-c2nnn[n-]2)cs1 ZINC000826053152 607633767 /nfs/dbraw/zinc/63/37/67/607633767.db2.gz UJMQUOLHGZRBLE-UHFFFAOYSA-N -1 3 305.392 1.512 20 30 DDEDHM CN=c1scc(C)n1N=Cc1cc(-c2nn[n-]n2)cs1 ZINC000826053152 607633769 /nfs/dbraw/zinc/63/37/69/607633769.db2.gz UJMQUOLHGZRBLE-UHFFFAOYSA-N -1 3 305.392 1.512 20 30 DDEDHM C[C@@H]1CN(C[C@H](O)c2ccc(C#N)cc2)CC[C@H]1NC(=O)[O-] ZINC000826050090 604421596 /nfs/dbraw/zinc/42/15/96/604421596.db2.gz RPLDGSNNMOZUDA-DFBGVHRSSA-N -1 3 303.362 1.570 20 30 DDEDHM C[C@H]1CN(CCC(=O)[O-])CCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000833629562 605200884 /nfs/dbraw/zinc/20/08/84/605200884.db2.gz XBNLMZVIKMDLHO-BBRMVZONSA-N -1 3 317.389 1.072 20 30 DDEDHM N#Cc1cccnc1NCCNc1ccc(-c2nnn[n-]2)nc1 ZINC000822842375 606056268 /nfs/dbraw/zinc/05/62/68/606056268.db2.gz FQQYFRGIZKFKBN-UHFFFAOYSA-N -1 3 307.321 1.052 20 30 DDEDHM N#Cc1cccnc1NCCNc1ccc(-c2nn[n-]n2)nc1 ZINC000822842375 606056270 /nfs/dbraw/zinc/05/62/70/606056270.db2.gz FQQYFRGIZKFKBN-UHFFFAOYSA-N -1 3 307.321 1.052 20 30 DDEDHM C[C@H](NC(=O)c1cc(C#N)c[nH]1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820391090 606254006 /nfs/dbraw/zinc/25/40/06/606254006.db2.gz MVRKVTCXMKQFLA-VIFPVBQESA-N -1 3 307.317 1.557 20 30 DDEDHM C[C@H](NC(=O)c1cc(C#N)c[nH]1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820391090 606254007 /nfs/dbraw/zinc/25/40/07/606254007.db2.gz MVRKVTCXMKQFLA-VIFPVBQESA-N -1 3 307.317 1.557 20 30 DDEDHM N#Cc1ccc(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c(F)c1 ZINC000822826429 606271533 /nfs/dbraw/zinc/27/15/33/606271533.db2.gz XVTLNNUZZXRDNB-UHFFFAOYSA-N -1 3 311.280 1.136 20 30 DDEDHM N#Cc1ccc(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c(F)c1 ZINC000822826429 606271535 /nfs/dbraw/zinc/27/15/35/606271535.db2.gz XVTLNNUZZXRDNB-UHFFFAOYSA-N -1 3 311.280 1.136 20 30 DDEDHM N#C[C@H]1CCC[C@H]1NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000822801197 606300937 /nfs/dbraw/zinc/30/09/37/606300937.db2.gz GLBVTBUWMZRRQY-ZYHUDNBSSA-N -1 3 312.333 1.054 20 30 DDEDHM N#C[C@H]1CCC[C@H]1NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000822801197 606300939 /nfs/dbraw/zinc/30/09/39/606300939.db2.gz GLBVTBUWMZRRQY-ZYHUDNBSSA-N -1 3 312.333 1.054 20 30 DDEDHM CN(CCC#N)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821597815 606331864 /nfs/dbraw/zinc/33/18/64/606331864.db2.gz IOFXLYAFTZJBQA-UHFFFAOYSA-N -1 3 310.321 1.262 20 30 DDEDHM CN(CCC#N)Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821597815 606331865 /nfs/dbraw/zinc/33/18/65/606331865.db2.gz IOFXLYAFTZJBQA-UHFFFAOYSA-N -1 3 310.321 1.262 20 30 DDEDHM N#Cc1csc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000822845985 606515217 /nfs/dbraw/zinc/51/52/17/606515217.db2.gz LQOGIWUNMTVJQA-UHFFFAOYSA-N -1 3 321.325 1.924 20 30 DDEDHM N#Cc1csc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000822845985 606515218 /nfs/dbraw/zinc/51/52/18/606515218.db2.gz LQOGIWUNMTVJQA-UHFFFAOYSA-N -1 3 321.325 1.924 20 30 DDEDHM N#CCCN(CC1CC1)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822806014 606550922 /nfs/dbraw/zinc/55/09/22/606550922.db2.gz HZMANLAGIQNYJR-UHFFFAOYSA-N -1 3 310.361 1.561 20 30 DDEDHM N#CCCN(CC1CC1)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822806014 606550923 /nfs/dbraw/zinc/55/09/23/606550923.db2.gz HZMANLAGIQNYJR-UHFFFAOYSA-N -1 3 310.361 1.561 20 30 DDEDHM C[C@@H](C#N)CN(C(=O)c1sccc1-c1nnn[n-]1)C1CC1 ZINC000824034640 607823743 /nfs/dbraw/zinc/82/37/43/607823743.db2.gz MMFRBQUJCHCHTK-QMMMGPOBSA-N -1 3 302.363 1.692 20 30 DDEDHM C[C@@H](C#N)CN(C(=O)c1sccc1-c1nn[n-]n1)C1CC1 ZINC000824034640 607823744 /nfs/dbraw/zinc/82/37/44/607823744.db2.gz MMFRBQUJCHCHTK-QMMMGPOBSA-N -1 3 302.363 1.692 20 30 DDEDHM C#CCNC(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823849850 607843193 /nfs/dbraw/zinc/84/31/93/607843193.db2.gz AZCRNXIRLGGTOD-QMMMGPOBSA-N -1 3 321.793 1.750 20 30 DDEDHM C#CCNC(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823849850 607843192 /nfs/dbraw/zinc/84/31/92/607843192.db2.gz AZCRNXIRLGGTOD-QMMMGPOBSA-N -1 3 321.793 1.750 20 30 DDEDHM C=CCCC(=O)COC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823888105 608057039 /nfs/dbraw/zinc/05/70/39/608057039.db2.gz FZCOLCQMNNABGI-UHFFFAOYSA-N -1 3 300.318 1.488 20 30 DDEDHM C=CCCC(=O)COC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823888105 608057040 /nfs/dbraw/zinc/05/70/40/608057040.db2.gz FZCOLCQMNNABGI-UHFFFAOYSA-N -1 3 300.318 1.488 20 30 DDEDHM C=CCCC(=O)CSc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC000823888085 608095031 /nfs/dbraw/zinc/09/50/31/608095031.db2.gz FSAFJDBCINUUKQ-UHFFFAOYSA-N -1 3 315.362 1.343 20 30 DDEDHM C=CCCC(=O)CSc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC000823888085 608095032 /nfs/dbraw/zinc/09/50/32/608095032.db2.gz FSAFJDBCINUUKQ-UHFFFAOYSA-N -1 3 315.362 1.343 20 30 DDEDHM O=C(C=Cc1csnn1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826403346 609272984 /nfs/dbraw/zinc/27/29/84/609272984.db2.gz PRCUJOPBJSNLIF-DUXPYHPUSA-N -1 3 302.294 1.753 20 30 DDEDHM O=C(C=Cc1csnn1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826403346 609272985 /nfs/dbraw/zinc/27/29/85/609272985.db2.gz PRCUJOPBJSNLIF-DUXPYHPUSA-N -1 3 302.294 1.753 20 30 DDEDHM CC(C)(C#N)CNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000824059197 609404493 /nfs/dbraw/zinc/40/44/93/609404493.db2.gz ORUQUWZQABHRRS-UHFFFAOYSA-N -1 3 303.301 1.677 20 30 DDEDHM CC(C)(C#N)CNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824059197 609404495 /nfs/dbraw/zinc/40/44/95/609404495.db2.gz ORUQUWZQABHRRS-UHFFFAOYSA-N -1 3 303.301 1.677 20 30 DDEDHM CC(C)(C#N)CNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824059502 609429621 /nfs/dbraw/zinc/42/96/21/609429621.db2.gz YPZDIYUHVWQENV-UHFFFAOYSA-N -1 3 306.276 1.424 20 30 DDEDHM CC(C)(C#N)CNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000824059502 609429619 /nfs/dbraw/zinc/42/96/19/609429619.db2.gz YPZDIYUHVWQENV-UHFFFAOYSA-N -1 3 306.276 1.424 20 30 DDEDHM C[C@H]1C[C@@H](NN=Cc2ccc(-c3nnn[n-]3)cc2F)CCO1 ZINC000824892094 609518900 /nfs/dbraw/zinc/51/89/00/609518900.db2.gz DIJFSCGRPOYGFY-CABZTGNLSA-N -1 3 304.329 1.497 20 30 DDEDHM C[C@H]1C[C@@H](NN=Cc2ccc(-c3nn[n-]n3)cc2F)CCO1 ZINC000824892094 609518903 /nfs/dbraw/zinc/51/89/03/609518903.db2.gz DIJFSCGRPOYGFY-CABZTGNLSA-N -1 3 304.329 1.497 20 30 DDEDHM Cc1ccnc(NCCNc2ccc(C#N)cn2)c1-c1nnn[n-]1 ZINC000826313894 609531882 /nfs/dbraw/zinc/53/18/82/609531882.db2.gz XLRYSPPOVIPXNI-UHFFFAOYSA-N -1 3 321.348 1.361 20 30 DDEDHM Cc1ccnc(NCCNc2ccc(C#N)cn2)c1-c1nn[n-]n1 ZINC000826313894 609531884 /nfs/dbraw/zinc/53/18/84/609531884.db2.gz XLRYSPPOVIPXNI-UHFFFAOYSA-N -1 3 321.348 1.361 20 30 DDEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cccnc1Cl ZINC000797841588 700026822 /nfs/dbraw/zinc/02/68/22/700026822.db2.gz NQMQYCCIFRWCBO-PWSUYJOCSA-N -1 3 316.810 1.995 20 30 DDEDHM C=CC(C)(C)C(=O)N1CCCCC[C@H](NC(=O)c2cn[n-]n2)C1 ZINC000987094613 697992141 /nfs/dbraw/zinc/99/21/41/697992141.db2.gz DLYAKXXBZBZENO-LBPRGKRZSA-N -1 3 319.409 1.518 20 30 DDEDHM C=CCNC(=O)C[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778423177 698335318 /nfs/dbraw/zinc/33/53/18/698335318.db2.gz MYCOEIMILCMUPA-UHFFFAOYSA-N -1 3 313.260 1.105 20 30 DDEDHM C=C(Br)CNC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000255372613 698417083 /nfs/dbraw/zinc/41/70/83/698417083.db2.gz PMJBBPFYSAXYCY-XFFZJAGNSA-N -1 3 307.147 1.796 20 30 DDEDHM C#CCCN1CCCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CC1 ZINC000989472906 698635059 /nfs/dbraw/zinc/63/50/59/698635059.db2.gz PWRPFQNMCYDEIO-UHFFFAOYSA-N -1 3 314.345 1.100 20 30 DDEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)OCCC1CCC1 ZINC000783448602 698842035 /nfs/dbraw/zinc/84/20/35/698842035.db2.gz OJPKDHWGXOEEES-UHFFFAOYSA-N -1 3 322.386 1.459 20 30 DDEDHM C#CCOCC[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000784451908 698939060 /nfs/dbraw/zinc/93/90/60/698939060.db2.gz MQVWUODXIBRHPG-UHFFFAOYSA-N -1 3 309.174 1.317 20 30 DDEDHM N#CCN1CCC[C@H](CNC(=O)c2cc3c(cc2[O-])OCO3)C1 ZINC000436970585 699169007 /nfs/dbraw/zinc/16/90/07/699169007.db2.gz GDLHAZXTMIEHLQ-LLVKDONJSA-N -1 3 317.345 1.086 20 30 DDEDHM COC(=O)N1CCC[C@H](/N=C/c2c([O-])c(C)ncc2CO)C1 ZINC000726429131 699362856 /nfs/dbraw/zinc/36/28/56/699362856.db2.gz JNTWSMVAWUEVRD-SMWBLXLWSA-N -1 3 307.350 1.238 20 30 DDEDHM C=CC(C)(C)C(=O)N1CC(NC(=O)c2cccc3n[n-]nc32)C1 ZINC000991897068 699437044 /nfs/dbraw/zinc/43/70/44/699437044.db2.gz DCDCHYMJUWJVBP-UHFFFAOYSA-N -1 3 313.361 1.111 20 30 DDEDHM N#Cc1ccc(F)c(COC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000729295246 699476035 /nfs/dbraw/zinc/47/60/35/699476035.db2.gz ZAKBKKRXNDQRMT-UHFFFAOYSA-N -1 3 324.267 1.938 20 30 DDEDHM Cc1nnc2ccc(C([O-])=C(C#N)C(=O)Nc3ccccn3)cn12 ZINC000733680788 699610853 /nfs/dbraw/zinc/61/08/53/699610853.db2.gz GSMVNYLDMNYUPT-LBPRGKRZSA-N -1 3 320.312 1.394 20 30 DDEDHM COc1c([O-])c(CN=Nc2ncncc2F)ccc1[N+](=O)[O-] ZINC000793198491 699739748 /nfs/dbraw/zinc/73/97/48/699739748.db2.gz CGYQCUWUSIVHNF-UHFFFAOYSA-N -1 3 307.241 1.684 20 30 DDEDHM N#Cc1ccc(C(=O)NCc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000737709427 699743588 /nfs/dbraw/zinc/74/35/88/699743588.db2.gz KVRPIVRHJYUSCH-UHFFFAOYSA-N -1 3 305.301 1.063 20 30 DDEDHM N#Cc1ccc(C(=O)NCc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000737709427 699743592 /nfs/dbraw/zinc/74/35/92/699743592.db2.gz KVRPIVRHJYUSCH-UHFFFAOYSA-N -1 3 305.301 1.063 20 30 DDEDHM CC(C)(NC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21)C1CC1 ZINC000741609279 699845440 /nfs/dbraw/zinc/84/54/40/699845440.db2.gz AOSRIOUUSRISKJ-UHFFFAOYSA-N -1 3 321.402 1.030 20 30 DDEDHM C[C@@H](C#N)COC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000759455758 700752517 /nfs/dbraw/zinc/75/25/17/700752517.db2.gz DKEIPLXJOJESSM-QMMMGPOBSA-N -1 3 300.311 1.514 20 30 DDEDHM CC[C@H](OC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(=O)OC ZINC000807608306 701482300 /nfs/dbraw/zinc/48/23/00/701482300.db2.gz QSRHYZGZYWFWJD-ZDUSSCGKSA-N -1 3 320.345 1.703 20 30 DDEDHM CO[C@@H]1Cc2ccc(NC(=O)N[C@@H]3CCCN([O-])C3=O)cc2C1 ZINC000879177671 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607952639 /nfs/dbraw/zinc/95/26/39/607952639.db2.gz FBWDBABETIUXOR-UHFFFAOYSA-N -1 3 324.344 1.076 20 30 DDEDHM N#CC1(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)CCOCC1 ZINC000826379851 607952640 /nfs/dbraw/zinc/95/26/40/607952640.db2.gz FBWDBABETIUXOR-UHFFFAOYSA-N -1 3 324.344 1.076 20 30 DDEDHM C=CCCC(=O)Cn1c(C)nnc1-c1cccc(-c2nnn[n-]2)c1 ZINC000823888748 608096646 /nfs/dbraw/zinc/09/66/46/608096646.db2.gz VIYOLKYVORPAHG-UHFFFAOYSA-N -1 3 323.360 1.969 20 30 DDEDHM C=CCCC(=O)Cn1c(C)nnc1-c1cccc(-c2nn[n-]n2)c1 ZINC000823888748 608096647 /nfs/dbraw/zinc/09/66/47/608096647.db2.gz VIYOLKYVORPAHG-UHFFFAOYSA-N -1 3 323.360 1.969 20 30 DDEDHM C=CCOCCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823925864 609159254 /nfs/dbraw/zinc/15/92/54/609159254.db2.gz OSSYTFIZOAZICC-UHFFFAOYSA-N -1 3 322.756 1.844 20 30 DDEDHM C=CCOCCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823925864 609159256 /nfs/dbraw/zinc/15/92/56/609159256.db2.gz OSSYTFIZOAZICC-UHFFFAOYSA-N -1 3 322.756 1.844 20 30 DDEDHM CC(C)(C)OCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000824119661 609319710 /nfs/dbraw/zinc/31/97/10/609319710.db2.gz NFGJHUBUWBOZBA-UHFFFAOYSA-N -1 3 300.322 1.492 20 30 DDEDHM CC(C)(C)OCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000824119661 609319712 /nfs/dbraw/zinc/31/97/12/609319712.db2.gz NFGJHUBUWBOZBA-UHFFFAOYSA-N -1 3 300.322 1.492 20 30 DDEDHM CC(C)(C)OC(=O)CCNN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000824100153 609468411 /nfs/dbraw/zinc/46/84/11/609468411.db2.gz MOKJGVFQNBFKQO-UHFFFAOYSA-N -1 3 322.394 1.584 20 30 DDEDHM C=CCOCCCC(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000745533319 699984395 /nfs/dbraw/zinc/98/43/95/699984395.db2.gz HXSQTEDWHGKAMU-UHFFFAOYSA-N -1 3 311.359 1.531 20 30 DDEDHM C=C(C)CNC(=S)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000044138071 696161112 /nfs/dbraw/zinc/16/11/12/696161112.db2.gz MOVVCDBOGUUTDU-UHFFFAOYSA-N -1 3 319.430 1.601 20 30 DDEDHM Nc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1[N+](=O)[O-] ZINC000045572001 696175157 /nfs/dbraw/zinc/17/51/57/696175157.db2.gz UYSHUZDNLPRPLM-UHFFFAOYSA-N 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/nfs/dbraw/zinc/01/71/56/698017156.db2.gz LHEZAXSTMBEYIE-PXNMLYILSA-N -1 3 301.350 1.063 20 30 DDEDHM COC[C@@H](/N=C\c1cc(Br)ccc1[O-])C(=O)OC ZINC000777870752 698229309 /nfs/dbraw/zinc/22/93/09/698229309.db2.gz WEABNQRZFCNSJQ-WBERELSBSA-N -1 3 316.151 1.762 20 30 DDEDHM C=CCOCC[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000779953565 698481295 /nfs/dbraw/zinc/48/12/95/698481295.db2.gz HZKFGNXLXZUKKV-UHFFFAOYSA-N -1 3 311.190 1.869 20 30 DDEDHM C#CCN(C)CCCNC(=O)N1CCC(CCC(=O)[O-])CC1 ZINC000328235035 698746429 /nfs/dbraw/zinc/74/64/29/698746429.db2.gz FNGPAILPMAHJJH-UHFFFAOYSA-N -1 3 309.410 1.228 20 30 DDEDHM C=CCOc1ccc(C(=O)N2CCCN(CC(=O)[O-])CC2)cc1 ZINC000390369642 699093299 /nfs/dbraw/zinc/09/32/99/699093299.db2.gz PILBRBFDBHDKLA-UHFFFAOYSA-N -1 3 318.373 1.484 20 30 DDEDHM Cc1cc(NC(=O)c2cc3c(cc2[O-])OCO3)n(CCC#N)n1 ZINC000727486672 699413080 /nfs/dbraw/zinc/41/30/80/699413080.db2.gz JILVUJSOJIVEKW-UHFFFAOYSA-N -1 3 314.301 1.792 20 30 DDEDHM CN(C(=O)COC(=O)c1cncc([O-])c1)C1(C#N)CCCCC1 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Cc1nc(C)c(C(=O)COC(=O)c2cc([O-])cc(C#N)c2)o1 ZINC000811184631 701930942 /nfs/dbraw/zinc/93/09/42/701930942.db2.gz BHRMYKRZGXEUKW-UHFFFAOYSA-N -1 3 300.270 1.908 20 30 DDEDHM CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000811185357 701931346 /nfs/dbraw/zinc/93/13/46/701931346.db2.gz JURAWNBDJBKLSN-SECBINFHSA-N -1 3 319.317 1.043 20 30 DDEDHM O=C(CSCc1ccc(Cl)cc1)N[C@H]1CCN([O-])C1=O ZINC000816691203 702150287 /nfs/dbraw/zinc/15/02/87/702150287.db2.gz MYXFEJVAHFFFGS-NSHDSACASA-N -1 3 314.794 1.680 20 30 DDEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000816694516 702154897 /nfs/dbraw/zinc/15/48/97/702154897.db2.gz HPDSMQPHPVJESO-GFCCVEGCSA-N -1 3 320.736 1.246 20 30 DDEDHM CC(C)Oc1cccc(CC(=O)N[C@H]2CCCN([O-])C2=O)c1 ZINC000816755176 702181164 /nfs/dbraw/zinc/18/11/64/702181164.db2.gz UVAIRJKQNABVCO-AWEZNQCLSA-N -1 3 306.362 1.513 20 30 DDEDHM Cc1cc2c(cc1C)O[C@H](C(=O)N[C@H]1CCCN([O-])C1=O)C2 ZINC000816755461 702181256 /nfs/dbraw/zinc/18/12/56/702181256.db2.gz 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702199559 /nfs/dbraw/zinc/19/95/59/702199559.db2.gz HMXMJOINOOVJGW-ZDUSSCGKSA-N -1 3 308.353 1.990 20 30 DDEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cc2c(ccnc2Cl)o1 ZINC000868563629 702200485 /nfs/dbraw/zinc/20/04/85/702200485.db2.gz URMZIOONEPUHMO-MRVPVSSYSA-N -1 3 309.709 1.591 20 30 DDEDHM O=C(Nc1ncc(C(F)(F)F)s1)N[C@H]1CCCN([O-])C1=O ZINC000879347257 706657147 /nfs/dbraw/zinc/65/71/47/706657147.db2.gz QGESXDFXDNYYSJ-YFKPBYRVSA-N -1 3 324.284 1.664 20 30 DDEDHM N#Cc1c(F)cccc1NCc1nc2c(c(=O)[n-]1)COCC2 ZINC000866289810 706666387 /nfs/dbraw/zinc/66/63/87/706666387.db2.gz MGBXHJIEKLUDMO-UHFFFAOYSA-N -1 3 300.293 1.878 20 30 DDEDHM O=C(Nc1nc(C2CCC2)cs1)N[C@@H]1CCCN([O-])C1=O ZINC000879480797 706691522 /nfs/dbraw/zinc/69/15/22/706691522.db2.gz YFVJXUHFMVFHMJ-SECBINFHSA-N -1 3 310.379 1.912 20 30 DDEDHM C=C(C)C[C@H]([N-]S(=O)(=O)N1CC[C@@H](C)C1)C(=O)OCC ZINC000882644706 707730688 /nfs/dbraw/zinc/73/06/88/707730688.db2.gz PIDDKSNGHHIECT-NEPJUHHUSA-N -1 3 304.412 1.061 20 30 DDEDHM 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COc1ccccc1C(C)(C)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848139546 703514548 /nfs/dbraw/zinc/51/45/48/703514548.db2.gz YIDUDNYGAPOOIC-GFCCVEGCSA-N -1 3 306.362 1.469 20 30 DDEDHM C=CCCNC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000852485669 704059674 /nfs/dbraw/zinc/05/96/74/704059674.db2.gz GPAMXDVKIGDAMA-SNVBAGLBSA-N -1 3 307.316 1.663 20 30 DDEDHM COc1cccc(S([O-])=CC(=O)C(C#N)C(=O)NC(C)C)c1 ZINC000819943121 704190278 /nfs/dbraw/zinc/19/02/78/704190278.db2.gz OKAGVBBJKDBJHU-MCMMXHMISA-N -1 3 322.386 1.036 20 30 DDEDHM O=C(N[C@H]1CCN([O-])C1=O)C1(Cc2ccccc2)CCOCC1 ZINC000820138008 704228434 /nfs/dbraw/zinc/22/84/34/704228434.db2.gz VDRGQFYGJVRDDD-AWEZNQCLSA-N -1 3 318.373 1.132 20 30 DDEDHM O=C(Cc1cccc(Cl)c1Cl)N[C@H]1CCN([O-])C1=O ZINC000820144031 704229256 /nfs/dbraw/zinc/22/92/56/704229256.db2.gz QWGGTJXTODAOPF-VIFPVBQESA-N -1 3 303.145 1.642 20 30 DDEDHM COc1ccc(C(=O)N[C@@H]2CCN([O-])C2=O)c(OC(C)C)c1 ZINC000820143310 704229272 /nfs/dbraw/zinc/22/92/72/704229272.db2.gz GETMLVSTDWUIOT-GFCCVEGCSA-N -1 3 308.334 1.202 20 30 DDEDHM C[C@@H](CC(=O)c1ccccc1F)C(=O)N[C@@H]1CCN([O-])C1=O ZINC000820147897 704230251 /nfs/dbraw/zinc/23/02/51/704230251.db2.gz AEIOKVUMAGWREM-JOYOIKCWSA-N -1 3 308.309 1.141 20 30 DDEDHM CC/C(=C/C(=O)N[C@H]1CCN([O-])C1=O)c1ccc(OC)cc1 ZINC000820148561 704230588 /nfs/dbraw/zinc/23/05/88/704230588.db2.gz IFSWFMWFBQSKOT-BMSUMIBZSA-N -1 3 304.346 1.595 20 30 DDEDHM C[C@@H](C(=O)N[C@H]1CCN([O-])C1=O)c1ccccc1C(F)(F)F ZINC000820148814 704230863 /nfs/dbraw/zinc/23/08/63/704230863.db2.gz JUAYFAAWIDKUSM-KCJUWKMLSA-N -1 3 316.279 1.915 20 30 DDEDHM CC(C)(C)OCc1ccccc1C(=O)N[C@H]1CCN([O-])C1=O ZINC000820150319 704231316 /nfs/dbraw/zinc/23/13/16/704231316.db2.gz YCLMKLVCFRQSRY-ZDUSSCGKSA-N -1 3 306.362 1.722 20 30 DDEDHM C[C@H](c1ccccc1)[C@](C)(O)C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000820477141 704286498 /nfs/dbraw/zinc/28/64/98/704286498.db2.gz VEMUCGLHTZADKM-KFNAQCHYSA-N -1 3 306.362 1.038 20 30 DDEDHM Cc1cccc2[nH]cc(CC(=O)N[C@@H]3CCCN([O-])C3=O)c21 ZINC000820482132 704287673 /nfs/dbraw/zinc/28/76/73/704287673.db2.gz DRWQRGIMSJDCAH-CYBMUJFWSA-N -1 3 301.346 1.515 20 30 DDEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccc(CN2CCCCC2)o1 ZINC000820544889 704297474 /nfs/dbraw/zinc/29/74/74/704297474.db2.gz RBPYXKADSWBZMQ-ZDUSSCGKSA-N -1 3 321.377 1.376 20 30 DDEDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OC1(C#N)CCC1 ZINC000820549686 704298373 /nfs/dbraw/zinc/29/83/73/704298373.db2.gz QDQVLKLVODLYTB-SNVBAGLBSA-N -1 3 313.317 1.623 20 30 DDEDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OC1(C#N)CCC1 ZINC000820549686 704298376 /nfs/dbraw/zinc/29/83/76/704298376.db2.gz QDQVLKLVODLYTB-SNVBAGLBSA-N -1 3 313.317 1.623 20 30 DDEDHM COC(=O)c1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)[nH]1 ZINC000821668808 704430529 /nfs/dbraw/zinc/43/05/29/704430529.db2.gz JWQZIMIGVJHOKF-SOFGYWHQSA-N -1 3 323.312 1.878 20 30 DDEDHM COC(=O)c1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)[nH]1 ZINC000821668808 704430531 /nfs/dbraw/zinc/43/05/31/704430531.db2.gz JWQZIMIGVJHOKF-SOFGYWHQSA-N -1 3 323.312 1.878 20 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/nfs/dbraw/zinc/18/48/57/706184857.db2.gz CNMXAOMWNULAND-AWEZNQCLSA-N -1 3 304.325 1.915 20 30 DDEDHM C[S@](=O)(=NS(=O)(=O)[N-]CCCCC#N)C1CCCCC1 ZINC000881862087 707397370 /nfs/dbraw/zinc/39/73/70/707397370.db2.gz RERVAPVYMBRSBK-LJQANCHMSA-N -1 3 321.468 1.945 20 30 DDEDHM C#CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)OC)cc(C)c1F ZINC000881888237 707406955 /nfs/dbraw/zinc/40/69/55/707406955.db2.gz PWLHAQUEJFFGPR-UHFFFAOYSA-N -1 3 313.350 1.611 20 30 DDEDHM CN(Cc1cccc(C#N)c1)Cc1nc2c(c(=O)[n-]1)COCC2 ZINC000877916640 706240270 /nfs/dbraw/zinc/24/02/70/706240270.db2.gz HHGGWPXIAXAJKF-UHFFFAOYSA-N -1 3 310.357 1.759 20 30 DDEDHM O=C(Nc1ccc2c(c1)C(=O)CCC2)N[C@H]1CCCN([O-])C1=O ZINC000878882101 706524154 /nfs/dbraw/zinc/52/41/54/706524154.db2.gz ZKYWSLNXFFVVJF-ZDUSSCGKSA-N -1 3 317.345 1.707 20 30 DDEDHM C#C[C@H](CO)[N-]S(=O)(=O)c1sc(C)cc1Br ZINC000867340088 706966596 /nfs/dbraw/zinc/96/65/96/706966596.db2.gz VQURXOSVWHOHFE-SSDOTTSWSA-N -1 3 324.221 1.091 20 30 DDEDHM N#Cc1cc([O-])cc(C(=O)OCc2cc(=O)[nH]c(C3CC3)n2)c1 ZINC000837644967 707705953 /nfs/dbraw/zinc/70/59/53/707705953.db2.gz DEISDFJATGUZIX-UHFFFAOYSA-N -1 3 311.297 1.994 20 30 DDEDHM C#CCOc1ccc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)cc1 ZINC000898216993 708575803 /nfs/dbraw/zinc/57/58/03/708575803.db2.gz ZLZSXDQVUCHVAH-ZDUSSCGKSA-N -1 3 311.341 1.757 20 30 DDEDHM Cn1cncc1[C@@H](CO)[N-]C(=O)C(F)(F)c1ccccc1C#N ZINC000912612165 713050126 /nfs/dbraw/zinc/05/01/26/713050126.db2.gz KOWOMBGSVIACMX-GFCCVEGCSA-N -1 3 320.299 1.233 20 30 DDEDHM C#CC1(NC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)CCCC1 ZINC000898806392 708874127 /nfs/dbraw/zinc/87/41/27/708874127.db2.gz DMBNGXJKAFZCLB-LBPRGKRZSA-N -1 3 315.377 1.006 20 30 DDEDHM C=C[C@@](C)(CC)C(=O)N1CCN(c2nc(C)cc(=O)[n-]2)CC1 ZINC000899497912 709100492 /nfs/dbraw/zinc/10/04/92/709100492.db2.gz DKLCPVYHYJAENO-INIZCTEOSA-N -1 3 304.394 1.742 20 30 DDEDHM C=CCCC[C@H](N)C(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000900462179 709606285 /nfs/dbraw/zinc/60/62/85/709606285.db2.gz DMZWBLZIVVFAMB-PMPSAXMXSA-N -1 3 316.401 1.997 20 30 DDEDHM Cn1cc([C@@H](CO)[N-]C(=O)C(F)(F)c2ccccc2C#N)cn1 ZINC000901228082 709975472 /nfs/dbraw/zinc/97/54/72/709975472.db2.gz UGYVPLYRDBWSIR-CYBMUJFWSA-N -1 3 320.299 1.233 20 30 DDEDHM O=C(CCNC(=O)c1ccco1)N([O-])Cc1ccc(F)cc1 ZINC000901375888 710026748 /nfs/dbraw/zinc/02/67/48/710026748.db2.gz MWOQCQYBXXJQFV-UHFFFAOYSA-N -1 3 306.293 1.957 20 30 DDEDHM C#CCN(C(=O)CCNC(=O)c1ccc(C)cc1[O-])C(C)C ZINC000928626034 713240843 /nfs/dbraw/zinc/24/08/43/713240843.db2.gz MQGHKENMYIUBOH-UHFFFAOYSA-N -1 3 302.374 1.691 20 30 DDEDHM CC(C)OCC(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC000904183787 711403264 /nfs/dbraw/zinc/40/32/64/711403264.db2.gz ZVDOEYJPQLONPD-UHFFFAOYSA-N -1 3 320.345 1.316 20 30 DDEDHM O=C(C1CCC1)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC000904183576 711403552 /nfs/dbraw/zinc/40/35/52/711403552.db2.gz QVLUDTRGDYXAJM-UHFFFAOYSA-N -1 3 302.330 1.691 20 30 DDEDHM Cn1cc(C[C@@H](O)C(=O)N([O-])CCCCc2ccccc2)cn1 ZINC000904197711 711407139 /nfs/dbraw/zinc/40/71/39/711407139.db2.gz MHNZEYZCQDLRAX-MRXNPFEDSA-N -1 3 317.389 1.564 20 30 DDEDHM C=CC(C)(C)CNC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000895160898 711437581 /nfs/dbraw/zinc/43/75/81/711437581.db2.gz NOZSHEBUXBMSGZ-LLVKDONJSA-N -1 3 305.382 1.272 20 30 DDEDHM C#CCCN(CC(F)(F)F)C(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000907426110 712568868 /nfs/dbraw/zinc/56/88/68/712568868.db2.gz VSVHXCJCVALDCV-UHFFFAOYSA-N -1 3 324.266 1.290 20 30 DDEDHM C#CCCN(CC(F)(F)F)C(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000907426110 712568870 /nfs/dbraw/zinc/56/88/70/712568870.db2.gz VSVHXCJCVALDCV-UHFFFAOYSA-N -1 3 324.266 1.290 20 30 DDEDHM CC[C@@H]([N-]S(=O)(=O)CC(C)(C)C#N)[C@@H](O)C(F)(F)F ZINC000914310261 713374930 /nfs/dbraw/zinc/37/49/30/713374930.db2.gz SKXVTLCUTKTUCR-HTQZYQBOSA-N -1 3 302.318 1.157 20 30 DDEDHM C=CC[C@@H](CO)C[N-]S(=O)(=O)c1cc(F)c(OC)cc1F ZINC000914329453 713379516 /nfs/dbraw/zinc/37/95/16/713379516.db2.gz SNKLHHAVNBWTIJ-SECBINFHSA-N -1 3 321.345 1.436 20 30 DDEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cnc(OC)s1 ZINC000915189574 713411886 /nfs/dbraw/zinc/41/18/86/713411886.db2.gz DNNKWMJIJGDCOU-KOLCDFICSA-N -1 3 318.420 1.411 20 30 DDEDHM Cc1ncc(CO)c(C=NN=c2[nH]c3ccccc3n2C)c1[O-] ZINC000915968287 713436851 /nfs/dbraw/zinc/43/68/51/713436851.db2.gz VTLOGWWUMVRPOP-UHFFFAOYSA-N -1 3 311.345 1.921 20 30 DDEDHM COC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc1 ZINC000917508401 713501188 /nfs/dbraw/zinc/50/11/88/713501188.db2.gz AKBFKZDRBFRTJK-CYBMUJFWSA-N -1 3 323.308 1.829 20 30 DDEDHM Cc1nn(C)c(C)c1C=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000920383116 713665031 /nfs/dbraw/zinc/66/50/31/713665031.db2.gz GIWNCLGMNTXVDI-UHFFFAOYSA-N -1 3 306.391 1.490 20 30 DDEDHM C=CCOc1cccc(NC(=O)NCCCc2c[n-][nH]c2=O)c1 ZINC000929933178 713720375 /nfs/dbraw/zinc/72/03/75/713720375.db2.gz SMHXZBDTSBMFKO-GFCCVEGCSA-N -1 3 316.361 1.885 20 30 DDEDHM C=C(C)CN(CC)C(=O)[C@H](C)N1Cc2nc(C)[n-]c(=O)c2C1 ZINC000931321347 714066530 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N#CC1CC([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)C1 ZINC001187988675 744643369 /nfs/dbraw/zinc/64/33/69/744643369.db2.gz RQGIZNNAXDTZFY-UHFFFAOYSA-N -1 3 306.174 1.969 20 30 DDEDHM Cc1cccc([O-])c1C(=O)N1CCN(c2nccnc2C#N)CC1 ZINC001188647034 744735678 /nfs/dbraw/zinc/73/56/78/744735678.db2.gz JXTDTWBXSMKBON-UHFFFAOYSA-N -1 3 323.356 1.325 20 30 DDEDHM CC(C)OC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190662672 745274968 /nfs/dbraw/zinc/27/49/68/745274968.db2.gz KZEJQRQDOQSDBK-VIFPVBQESA-N -1 3 314.338 1.316 20 30 DDEDHM C[C@H](C#N)S(=O)(=O)[N-]c1ccc2c(c1)CNC(=O)C2(C)C ZINC001193158654 746002137 /nfs/dbraw/zinc/00/21/37/746002137.db2.gz SZENHAMVJIFTER-SECBINFHSA-N -1 3 307.375 1.248 20 30 DDEDHM N#Cc1cc(F)c([N-]S(=O)(=O)C[C@H]2CCCO2)c(F)c1 ZINC001193264154 746036612 /nfs/dbraw/zinc/03/66/12/746036612.db2.gz OMADNVFSGQBKTK-SECBINFHSA-N -1 3 302.302 1.757 20 30 DDEDHM Cc1ccc(C(=NC(=O)c2cc(Br)[n-]n2)NO)nc1 ZINC001193297746 746053099 /nfs/dbraw/zinc/05/30/99/746053099.db2.gz 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Cn1[n-]c([C@@H]2CCCN2Cc2cccc(C#N)c2F)nc1=N ZINC000331818196 294130552 /nfs/dbraw/zinc/13/05/52/294130552.db2.gz LMIMDBDCOKBWHN-LBPRGKRZSA-N -1 3 300.341 1.576 20 30 DDEDHM C[C@@H]1CC([N-]S(=O)(=O)c2ccc(F)cc2C#N)C[C@@H](C)O1 ZINC000162926607 298205168 /nfs/dbraw/zinc/20/51/68/298205168.db2.gz OTFQWTYCBJHDHZ-NXEZZACHSA-N -1 3 312.366 1.932 20 30 DDEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@]2(C(F)(F)F)CCOC2)cc1 ZINC000330574234 303199099 /nfs/dbraw/zinc/19/90/99/303199099.db2.gz FEXZYMMUYSMHLK-NSHDSACASA-N -1 3 320.292 1.558 20 30 DDEDHM CC[C@@H]([N-]S(=O)(=O)N(C)C[C@H](C)C#N)C(=O)OC(C)(C)C ZINC000584005868 331561100 /nfs/dbraw/zinc/56/11/00/331561100.db2.gz MZTGRQJYBRTZTM-GHMZBOCLSA-N -1 3 319.427 1.033 20 30 DDEDHM C=CC[C@@H](C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1)c1ccccc1 ZINC000427258080 332189460 /nfs/dbraw/zinc/18/94/60/332189460.db2.gz RTZBKYTXDIBKNI-KGLIPLIRSA-N -1 3 313.357 1.109 20 30 DDEDHM C=CCCCS(=O)(=O)[N-][C@H](C(=O)OC)C1CCCCC1 ZINC000562356395 332583312 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C=CCOCC[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000682372489 485575775 /nfs/dbraw/zinc/57/57/75/485575775.db2.gz ZRJMTUTXYCOPNS-UHFFFAOYSA-N -1 3 310.297 1.581 20 30 DDEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3c[nH]c(C(N)=O)c3)nc1-2 ZINC000674299363 485592336 /nfs/dbraw/zinc/59/23/36/485592336.db2.gz MECWVAVQPORDOC-SECBINFHSA-N -1 3 308.301 1.183 20 30 DDEDHM Cc1cnc(C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000330866365 534521646 /nfs/dbraw/zinc/52/16/46/534521646.db2.gz CLIGRVAAJBJKDI-BETUJISGSA-N -1 3 307.394 1.900 20 30 DDEDHM C=CCNC(=O)C[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000346572148 526569941 /nfs/dbraw/zinc/56/99/41/526569941.db2.gz YDAPYOWZHAKIPM-UHFFFAOYSA-N -1 3 306.746 1.060 20 30 DDEDHM C#CCN(CC#N)Cc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000491363444 526880457 /nfs/dbraw/zinc/88/04/57/526880457.db2.gz ZVEVXZAPFXSKOJ-UHFFFAOYSA-N -1 3 318.340 1.480 20 30 DDEDHM C#CC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)OC ZINC000490866416 527046499 /nfs/dbraw/zinc/04/64/99/527046499.db2.gz 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528978485 /nfs/dbraw/zinc/97/84/85/528978485.db2.gz YZYRUVIEPMDUMS-VIFPVBQESA-N -1 3 313.335 1.170 20 30 DDEDHM CCN1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435445739 529004793 /nfs/dbraw/zinc/00/47/93/529004793.db2.gz HAVPMFBICUSHDK-LLVKDONJSA-N -1 3 313.448 1.772 20 30 DDEDHM C=CCCN1C(=O)N[C@](C)(c2cccc(-c3nnn[n-]3)c2)C1=O ZINC000735412908 598824422 /nfs/dbraw/zinc/82/44/22/598824422.db2.gz MSWJWCQAWOPWSD-OAHLLOKOSA-N -1 3 312.333 1.210 20 30 DDEDHM C=CCCN1C(=O)N[C@](C)(c2cccc(-c3nn[n-]n3)c2)C1=O ZINC000735412908 598824424 /nfs/dbraw/zinc/82/44/24/598824424.db2.gz MSWJWCQAWOPWSD-OAHLLOKOSA-N -1 3 312.333 1.210 20 30 DDEDHM COc1cccc(O)c1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000821872146 607254561 /nfs/dbraw/zinc/25/45/61/607254561.db2.gz JOXNHZBADBWBAS-UHFFFAOYSA-N -1 3 324.344 1.705 20 30 DDEDHM N#Cc1ccc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000737710466 598478533 /nfs/dbraw/zinc/47/85/33/598478533.db2.gz AKOTVCAKQVVELH-UHFFFAOYSA-N -1 3 306.285 1.490 20 30 DDEDHM N#Cc1ccc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000737710466 598478534 /nfs/dbraw/zinc/47/85/34/598478534.db2.gz AKOTVCAKQVVELH-UHFFFAOYSA-N -1 3 306.285 1.490 20 30 DDEDHM C[C@H](CC#N)N(C)C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000735963576 598752871 /nfs/dbraw/zinc/75/28/71/598752871.db2.gz HRHOXMKSEOHMPO-SNVBAGLBSA-N -1 3 300.322 1.006 20 30 DDEDHM C[C@H](CC#N)N(C)C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000735963576 598752873 /nfs/dbraw/zinc/75/28/73/598752873.db2.gz HRHOXMKSEOHMPO-SNVBAGLBSA-N -1 3 300.322 1.006 20 30 DDEDHM C[C@@H](CC#N)N(C)C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000736184375 598753017 /nfs/dbraw/zinc/75/30/17/598753017.db2.gz ZOFKVYSCZKLXRF-QWRGUYRKSA-N -1 3 314.349 1.395 20 30 DDEDHM C[C@@H](CC#N)N(C)C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000736184375 598753018 /nfs/dbraw/zinc/75/30/18/598753018.db2.gz ZOFKVYSCZKLXRF-QWRGUYRKSA-N -1 3 314.349 1.395 20 30 DDEDHM C[C@H](CC#N)N(C)C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000736163603 598753037 /nfs/dbraw/zinc/75/30/37/598753037.db2.gz 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/nfs/dbraw/zinc/67/92/80/599679280.db2.gz XHVSUYASRBGJIU-UHFFFAOYSA-N -1 3 316.340 1.889 20 30 DDEDHM CCN(CC(=O)[O-])CC(=O)C(C#N)c1nc2ccccc2s1 ZINC000737076359 600102118 /nfs/dbraw/zinc/10/21/18/600102118.db2.gz YKVAECUESCPTKG-JTQLQIEISA-N -1 3 317.370 1.879 20 30 DDEDHM C#CCN1CCC(C(=O)Nc2ccc(CNC(=O)[O-])cc2)CC1 ZINC000736080684 600293732 /nfs/dbraw/zinc/29/37/32/600293732.db2.gz WMEZXWDKBGMZOG-UHFFFAOYSA-N -1 3 315.373 1.738 20 30 DDEDHM C=C(C)CN1CCC(NC(=O)N2CC[C@@](C)(C(=O)[O-])C2)CC1 ZINC000825642215 602067559 /nfs/dbraw/zinc/06/75/59/602067559.db2.gz KREKOWPLZPYOPQ-MRXNPFEDSA-N -1 3 309.410 1.533 20 30 DDEDHM CCN(C[C@H](C)C#N)C(=O)CN(C)C1CCN(C(=O)[O-])CC1 ZINC000827019654 603990290 /nfs/dbraw/zinc/99/02/90/603990290.db2.gz BJHSCLVKZAGPGK-GFCCVEGCSA-N -1 3 310.398 1.069 20 30 DDEDHM N#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccc(F)cc1 ZINC000826380333 607690654 /nfs/dbraw/zinc/69/06/54/607690654.db2.gz VTYZPRCTXRYZJP-GFCCVEGCSA-N -1 3 311.280 1.329 20 30 DDEDHM N#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccc(F)cc1 ZINC000826380333 607690656 /nfs/dbraw/zinc/69/06/56/607690656.db2.gz VTYZPRCTXRYZJP-GFCCVEGCSA-N -1 3 311.280 1.329 20 30 DDEDHM CN(C)C[C@H]1CN(Cc2cccc(C(=O)[O-])c2C#N)CCO1 ZINC000833689004 604608637 /nfs/dbraw/zinc/60/86/37/604608637.db2.gz HZPMXXQIZTXSCG-ZDUSSCGKSA-N -1 3 303.362 1.019 20 30 DDEDHM C[C@@H]1CN(CCC(=O)[O-])CCN1C[C@H](O)c1ccc(C#N)cc1 ZINC000833629563 605200428 /nfs/dbraw/zinc/20/04/28/605200428.db2.gz XBNLMZVIKMDLHO-CJNGLKHVSA-N -1 3 317.389 1.072 20 30 DDEDHM C#CCCCCNC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000819693904 606956169 /nfs/dbraw/zinc/95/61/69/606956169.db2.gz YKGZXRZSKSGKBK-LBPRGKRZSA-N -1 3 313.361 1.554 20 30 DDEDHM C#CCCCCNC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000819693904 606956171 /nfs/dbraw/zinc/95/61/71/606956171.db2.gz YKGZXRZSKSGKBK-LBPRGKRZSA-N -1 3 313.361 1.554 20 30 DDEDHM C[C@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)C(F)(F)F ZINC000820555295 607221716 /nfs/dbraw/zinc/22/17/16/607221716.db2.gz 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COC(=O)c1cc(C)nc2nc(S[C@H](C)C#N)[n-]c(=O)c21 ZINC000341589761 533772086 /nfs/dbraw/zinc/77/20/86/533772086.db2.gz GOHUUQOMIHIWHC-SSDOTTSWSA-N -1 3 304.331 1.830 20 30 DDEDHM COC(=O)c1cc(S(=O)(=O)[N-]CC(C)(C)C#N)c(C)o1 ZINC000344883842 533914035 /nfs/dbraw/zinc/91/40/35/533914035.db2.gz GLKWLJBMIJLUTJ-UHFFFAOYSA-N -1 3 300.336 1.203 20 30 DDEDHM C#CC(C)(C)NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000490670138 526658202 /nfs/dbraw/zinc/65/82/02/526658202.db2.gz LDGDIEPQUSDAML-UHFFFAOYSA-N -1 3 320.823 1.208 20 30 DDEDHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000330438782 526766265 /nfs/dbraw/zinc/76/62/65/526766265.db2.gz SNDDESFIOGTKMV-MFKMUULPSA-N -1 3 306.366 1.534 20 30 DDEDHM C#CCN(C)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000491746045 526798257 /nfs/dbraw/zinc/79/82/57/526798257.db2.gz LGFGZSHHADBNLD-UHFFFAOYSA-N -1 3 319.158 1.996 20 30 DDEDHM C#CCNC(=O)C1CCN(C(=O)c2ccc(CC)cc2[O-])CC1 ZINC000491643148 526966120 /nfs/dbraw/zinc/96/61/20/526966120.db2.gz ZNZOEOQAPJDDSS-UHFFFAOYSA-N -1 3 314.385 1.556 20 30 DDEDHM C#C[C@@H](CC)[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC000491545254 527246279 /nfs/dbraw/zinc/24/62/79/527246279.db2.gz POTKDMBVVCQUQM-JTQLQIEISA-N -1 3 315.778 1.817 20 30 DDEDHM CC(C)OC(=O)[C@H](C)[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000452005057 527863193 /nfs/dbraw/zinc/86/31/93/527863193.db2.gz CBIZDEXJEGGGEZ-LBPRGKRZSA-N -1 3 316.423 1.720 20 30 DDEDHM CCOC(=O)C(C)(C)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000435423320 528560004 /nfs/dbraw/zinc/56/00/04/528560004.db2.gz SUQZCDSDOUZJJT-UHFFFAOYSA-N -1 3 302.377 1.240 20 30 DDEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)NC ZINC000452092917 529195668 /nfs/dbraw/zinc/19/56/68/529195668.db2.gz UTVKIZHXOIUSDJ-SNVBAGLBSA-N -1 3 315.782 1.015 20 30 DDEDHM C[C@@H](OCC1CC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736165170 598929059 /nfs/dbraw/zinc/92/90/59/598929059.db2.gz SGDQPXUWEXSNCV-SECBINFHSA-N -1 3 312.333 1.492 20 30 DDEDHM C[C@@H](OCC1CC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736165170 598929060 /nfs/dbraw/zinc/92/90/60/598929060.db2.gz SGDQPXUWEXSNCV-SECBINFHSA-N -1 3 312.333 1.492 20 30 DDEDHM COCCCCCSc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC000736979281 599192710 /nfs/dbraw/zinc/19/27/10/599192710.db2.gz QCDHCNGRKUQABP-UHFFFAOYSA-N -1 3 319.394 1.624 20 30 DDEDHM COCCCCCSc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC000736979281 599192712 /nfs/dbraw/zinc/19/27/12/599192712.db2.gz QCDHCNGRKUQABP-UHFFFAOYSA-N -1 3 319.394 1.624 20 30 DDEDHM O=C(CON=C1CCC1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737915516 599269582 /nfs/dbraw/zinc/26/95/82/599269582.db2.gz CKRMQTGJTXCZNV-UHFFFAOYSA-N -1 3 300.322 1.039 20 30 DDEDHM O=C(CON=C1CCC1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737915516 599269585 /nfs/dbraw/zinc/26/95/85/599269585.db2.gz CKRMQTGJTXCZNV-UHFFFAOYSA-N -1 3 300.322 1.039 20 30 DDEDHM C#Cc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2F)nc1 ZINC000735387969 598278461 /nfs/dbraw/zinc/27/84/61/598278461.db2.gz MRMXKRSDLYLMNZ-UHFFFAOYSA-N -1 3 322.303 1.659 20 30 DDEDHM C#Cc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2F)nc1 ZINC000735387969 598278462 /nfs/dbraw/zinc/27/84/62/598278462.db2.gz MRMXKRSDLYLMNZ-UHFFFAOYSA-N -1 3 322.303 1.659 20 30 DDEDHM C#CCOC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735381868 598564991 /nfs/dbraw/zinc/56/49/91/598564991.db2.gz RHWKFMOVNIYXKK-UHFFFAOYSA-N -1 3 324.296 1.829 20 30 DDEDHM C[C@H](CC#N)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735963854 598667243 /nfs/dbraw/zinc/66/72/43/598667243.db2.gz PEBHFDVEZBYLHU-SECBINFHSA-N -1 3 302.363 1.377 20 30 DDEDHM C[C@H](CC#N)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735963854 598667244 /nfs/dbraw/zinc/66/72/44/598667244.db2.gz PEBHFDVEZBYLHU-SECBINFHSA-N -1 3 302.363 1.377 20 30 DDEDHM C=CC1CCN(C(=O)CNc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735402711 598693432 /nfs/dbraw/zinc/69/34/32/598693432.db2.gz HTLCYWXCJACZMB-UHFFFAOYSA-N -1 3 312.377 1.703 20 30 DDEDHM Cc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)CCCC#N ZINC000737222319 598709935 /nfs/dbraw/zinc/70/99/35/598709935.db2.gz XMPLHGYVYQLUSR-UHFFFAOYSA-N -1 3 307.335 1.188 20 30 DDEDHM Cc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)CCCC#N ZINC000737222319 598709938 /nfs/dbraw/zinc/70/99/38/598709938.db2.gz XMPLHGYVYQLUSR-UHFFFAOYSA-N -1 3 307.335 1.188 20 30 DDEDHM C[C@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)C(F)(F)F ZINC000819867929 599630989 /nfs/dbraw/zinc/63/09/89/599630989.db2.gz VLINMWJYWWCPQD-ZCFIWIBFSA-N -1 3 310.239 1.875 20 30 DDEDHM C[C@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)C(F)(F)F ZINC000819867929 599630990 /nfs/dbraw/zinc/63/09/90/599630990.db2.gz VLINMWJYWWCPQD-ZCFIWIBFSA-N -1 3 310.239 1.875 20 30 DDEDHM C[C@H](CN(C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1)C(=O)[O-] ZINC000736574369 600369392 /nfs/dbraw/zinc/36/93/92/600369392.db2.gz CPWVWERGDJDATQ-KGLIPLIRSA-N -1 3 317.389 1.974 20 30 DDEDHM C[C@H](CN(C)[C@H](C)C(=O)N(CCC#N)c1ccccc1)C(=O)[O-] ZINC000736574373 600369438 /nfs/dbraw/zinc/36/94/38/600369438.db2.gz CPWVWERGDJDATQ-ZIAGYGMSSA-N -1 3 317.389 1.974 20 30 DDEDHM C#Cc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2C)nc1 ZINC000823861317 607444855 /nfs/dbraw/zinc/44/48/55/607444855.db2.gz DMDXWZIWGBVFOT-UHFFFAOYSA-N -1 3 319.324 1.908 20 30 DDEDHM C#Cc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2C)nc1 ZINC000823861317 607444856 /nfs/dbraw/zinc/44/48/56/607444856.db2.gz DMDXWZIWGBVFOT-UHFFFAOYSA-N -1 3 319.324 1.908 20 30 DDEDHM C[C@@H](C(=O)NC1(C#N)CCCCC1)N1C[C@H](C(=O)[O-])[C@H](C)C1 ZINC000828421426 601526914 /nfs/dbraw/zinc/52/69/14/601526914.db2.gz FPUZGCSHGVYKFN-AGIUHOORSA-N -1 3 307.394 1.370 20 30 DDEDHM N#Cc1ccc([C@H](O)CN2CCCC[C@@H]2CNC(=O)[O-])cc1 ZINC000831122533 604362283 /nfs/dbraw/zinc/36/22/83/604362283.db2.gz KPIIHWWBJGTFDE-HUUCEWRRSA-N -1 3 303.362 1.714 20 30 DDEDHM N#Cc1ccc([C@H](O)CN2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc1 ZINC000831123034 604366897 /nfs/dbraw/zinc/36/68/97/604366897.db2.gz ZJQFUDOQZPGRPO-OWCLPIDISA-N -1 3 315.373 1.808 20 30 DDEDHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)NCCC#N)c1ccccc1 ZINC000833412453 605182230 /nfs/dbraw/zinc/18/22/30/605182230.db2.gz KYWCEMIDGFRLFK-AWEZNQCLSA-N -1 3 303.362 1.458 20 30 DDEDHM O=C(C#Cc1ccccc1)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822912203 606152994 /nfs/dbraw/zinc/15/29/94/606152994.db2.gz QWJZFXHCMOHDKR-UHFFFAOYSA-N -1 3 321.315 1.674 20 30 DDEDHM O=C(C#Cc1ccccc1)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000822912203 606152996 /nfs/dbraw/zinc/15/29/96/606152996.db2.gz QWJZFXHCMOHDKR-UHFFFAOYSA-N -1 3 321.315 1.674 20 30 DDEDHM Clc1nccnc1N=NCc1cc(-c2nnn[n-]2)cs1 ZINC000822591101 606205632 /nfs/dbraw/zinc/20/56/32/606205632.db2.gz QTVNRMYALFPGCX-UHFFFAOYSA-N -1 3 306.742 1.818 20 30 DDEDHM Clc1nccnc1N=NCc1cc(-c2nn[n-]n2)cs1 ZINC000822591101 606205634 /nfs/dbraw/zinc/20/56/34/606205634.db2.gz QTVNRMYALFPGCX-UHFFFAOYSA-N -1 3 306.742 1.818 20 30 DDEDHM COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C[C@@H](C)C#N ZINC000821650130 606317356 /nfs/dbraw/zinc/31/73/56/606317356.db2.gz KTGUNDKHWUNODS-GWCFXTLKSA-N -1 3 314.349 1.172 20 30 DDEDHM COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C[C@@H](C)C#N ZINC000821650130 606317357 /nfs/dbraw/zinc/31/73/57/606317357.db2.gz KTGUNDKHWUNODS-GWCFXTLKSA-N -1 3 314.349 1.172 20 30 DDEDHM O=c1[nH]ncc(NN=Cc2ccc(-c3nnn[n-]3)s2)c1Cl ZINC000823656767 606369502 /nfs/dbraw/zinc/36/95/02/606369502.db2.gz HFJQQLNDRKKJNR-UHFFFAOYSA-N -1 3 322.741 1.523 20 30 DDEDHM Cc1cc([C@H](C#N)C(=O)c2cc(-c3nnn[n-]3)cn2C)nc(C)n1 ZINC000822183951 606406343 /nfs/dbraw/zinc/40/63/43/606406343.db2.gz MMBIZUDGLANPPT-NSHDSACASA-N -1 3 322.332 1.102 20 30 DDEDHM Cc1cc([C@H](C#N)C(=O)c2cc(-c3nn[n-]n3)cn2C)nc(C)n1 ZINC000822183951 606406345 /nfs/dbraw/zinc/40/63/45/606406345.db2.gz MMBIZUDGLANPPT-NSHDSACASA-N -1 3 322.332 1.102 20 30 DDEDHM CC(C)(C)[C@@H](C#N)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000819899773 606640741 /nfs/dbraw/zinc/64/07/41/606640741.db2.gz YQHLNVFMUXPWQP-LJTDUEICSA-N -1 3 310.361 1.934 20 30 DDEDHM CC(C)(C)[C@@H](C#N)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000819899773 606640742 /nfs/dbraw/zinc/64/07/42/606640742.db2.gz YQHLNVFMUXPWQP-LJTDUEICSA-N -1 3 310.361 1.934 20 30 DDEDHM C#CCN(CC(=O)Nc1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000819698369 606784415 /nfs/dbraw/zinc/78/44/15/606784415.db2.gz XXVGNLZWMCOUTI-UHFFFAOYSA-N -1 3 324.388 1.683 20 30 DDEDHM C#CCN(C(=O)NCc1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC000819698005 606827417 /nfs/dbraw/zinc/82/74/17/606827417.db2.gz PQVNFNXEOUDLKA-UHFFFAOYSA-N -1 3 324.388 1.954 20 30 DDEDHM C#CCN(C(=O)NCc1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000819698005 606827419 /nfs/dbraw/zinc/82/74/19/606827419.db2.gz PQVNFNXEOUDLKA-UHFFFAOYSA-N -1 3 324.388 1.954 20 30 DDEDHM C#CCN(C(=O)CNc1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000819697481 606831157 /nfs/dbraw/zinc/83/11/57/606831157.db2.gz GMOIBJJUWUPZBY-UHFFFAOYSA-N -1 3 324.388 1.683 20 30 DDEDHM N#Cc1ccc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cn1 ZINC000822825399 607000433 /nfs/dbraw/zinc/00/04/33/607000433.db2.gz DHRBQIYFEVMXIF-UHFFFAOYSA-N -1 3 324.275 1.629 20 30 DDEDHM N#Cc1ccc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cn1 ZINC000822825399 607000435 /nfs/dbraw/zinc/00/04/35/607000435.db2.gz DHRBQIYFEVMXIF-UHFFFAOYSA-N -1 3 324.275 1.629 20 30 DDEDHM N#CC1(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC000822801734 607113702 /nfs/dbraw/zinc/11/37/02/607113702.db2.gz NJNCRLJTKOARDW-UHFFFAOYSA-N -1 3 313.317 1.230 20 30 DDEDHM N#CC1(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC000822801734 607113704 /nfs/dbraw/zinc/11/37/04/607113704.db2.gz NJNCRLJTKOARDW-UHFFFAOYSA-N -1 3 313.317 1.230 20 30 DDEDHM C(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823862158 607815990 /nfs/dbraw/zinc/81/59/90/607815990.db2.gz YZJLVNDHOWDMBV-STQMWFEESA-N -1 3 310.365 1.061 20 30 DDEDHM C#CCNC(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823849848 607843327 /nfs/dbraw/zinc/84/33/27/607843327.db2.gz AZCRNXIRLGGTOD-MRVPVSSYSA-N -1 3 321.793 1.750 20 30 DDEDHM C#CCNC(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823849848 607843328 /nfs/dbraw/zinc/84/33/28/607843328.db2.gz AZCRNXIRLGGTOD-MRVPVSSYSA-N -1 3 321.793 1.750 20 30 DDEDHM C=CCCOCCNC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000823899609 607944535 /nfs/dbraw/zinc/94/45/35/607944535.db2.gz ZHRICVNIFCMEOQ-CMDGGOBGSA-N -1 3 313.361 1.589 20 30 DDEDHM C=CCCOCCNC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000823899609 607944536 /nfs/dbraw/zinc/94/45/36/607944536.db2.gz ZHRICVNIFCMEOQ-CMDGGOBGSA-N -1 3 313.361 1.589 20 30 DDEDHM N#CC1(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)CCC1 ZINC000826380358 608448349 /nfs/dbraw/zinc/44/83/49/608448349.db2.gz XFOSTJFQLZYYGP-UHFFFAOYSA-N -1 3 301.281 1.743 20 30 DDEDHM N#CC1(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)CCC1 ZINC000826380358 608448351 /nfs/dbraw/zinc/44/83/51/608448351.db2.gz XFOSTJFQLZYYGP-UHFFFAOYSA-N -1 3 301.281 1.743 20 30 DDEDHM O=C(C=Cc1csnn1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826403361 609133124 /nfs/dbraw/zinc/13/31/24/609133124.db2.gz PWDGRBYLIYQJTI-RQOWECAXSA-N -1 3 302.294 1.753 20 30 DDEDHM O=C(C=Cc1csnn1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826403361 609133126 /nfs/dbraw/zinc/13/31/26/609133126.db2.gz PWDGRBYLIYQJTI-RQOWECAXSA-N -1 3 302.294 1.753 20 30 DDEDHM C=CCNC(=O)CNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000823919686 609172047 /nfs/dbraw/zinc/17/20/47/609172047.db2.gz NCBOGMUIFPGYDQ-UHFFFAOYSA-N -1 3 309.333 1.129 20 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VFWVLNKZGZWPTA-CQSZACIVSA-N -1 3 306.362 1.722 20 30 DDEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cc[nH]n1 ZINC000849663706 703664881 /nfs/dbraw/zinc/66/48/81/703664881.db2.gz WCYMHMRXJYLEFC-UHFFFAOYSA-N -1 3 300.318 1.675 20 30 DDEDHM C=CCN(CC=C)[C@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000819740408 704166539 /nfs/dbraw/zinc/16/65/39/704166539.db2.gz ZEKZTOUKYYTBPW-GFCCVEGCSA-N -1 3 312.377 1.868 20 30 DDEDHM C=CCN(CC=C)[C@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000819740408 704166541 /nfs/dbraw/zinc/16/65/41/704166541.db2.gz ZEKZTOUKYYTBPW-GFCCVEGCSA-N -1 3 312.377 1.868 20 30 DDEDHM C[C@H](C#N)CN(C)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000819844389 704178386 /nfs/dbraw/zinc/17/83/86/704178386.db2.gz FZBVXZNZNKRKGK-SNVBAGLBSA-N -1 3 324.348 1.508 20 30 DDEDHM C[C@H](C#N)CN(C)Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000819844389 704178387 /nfs/dbraw/zinc/17/83/87/704178387.db2.gz FZBVXZNZNKRKGK-SNVBAGLBSA-N -1 3 324.348 1.508 20 30 DDEDHM COc1cccc(C[C@@H](C)CC(=O)N[C@@H]2CCN([O-])C2=O)c1 ZINC000820119867 704223910 /nfs/dbraw/zinc/22/39/10/704223910.db2.gz GJRRSQXTQPLZDD-BXUZGUMPSA-N -1 3 306.362 1.370 20 30 DDEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1cc2sccc2nc1Cl ZINC000820132652 704227055 /nfs/dbraw/zinc/22/70/55/704227055.db2.gz QTXDOIFCMUWGBF-MRVPVSSYSA-N -1 3 311.750 1.670 20 30 DDEDHM CCCCOc1cc(OC)ccc1C(=O)N[C@@H]1CCN([O-])C1=O ZINC000820144384 704229319 /nfs/dbraw/zinc/22/93/19/704229319.db2.gz UPRZGOVQCCIJEQ-CYBMUJFWSA-N -1 3 322.361 1.594 20 30 DDEDHM Cc1cc(C(=O)N[C@@H]2CCN([O-])C2=O)c2c(n1)onc2C(C)C ZINC000820185058 704237199 /nfs/dbraw/zinc/23/71/99/704237199.db2.gz HNFSKCFGGTZPDU-SNVBAGLBSA-N -1 3 318.333 1.375 20 30 DDEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1coc(-c2ccccc2)n1 ZINC000820477519 704286815 /nfs/dbraw/zinc/28/68/15/704286815.db2.gz ZLDJZIUMRLEADN-LLVKDONJSA-N -1 3 301.302 1.452 20 30 DDEDHM COc1cccc2[nH]cc(CC(=O)N[C@@H]3CCCN([O-])C3=O)c21 ZINC000820482250 704287790 /nfs/dbraw/zinc/28/77/90/704287790.db2.gz GVLLUNMEEUJEDW-GFCCVEGCSA-N -1 3 317.345 1.215 20 30 DDEDHM COc1cccc(C[C@H](C)CC(=O)N[C@@H]2CCCN([O-])C2=O)c1 ZINC000820545395 704297604 /nfs/dbraw/zinc/29/76/04/704297604.db2.gz YHMBOLXKNYNXGV-SWLSCSKDSA-N -1 3 320.389 1.760 20 30 DDEDHM CCN(CCC#N)[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000821207831 704381090 /nfs/dbraw/zinc/38/10/90/704381090.db2.gz VJQMRQWFYWFYAZ-NSHDSACASA-N -1 3 313.365 1.429 20 30 DDEDHM CCN(CCC#N)[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000821207831 704381093 /nfs/dbraw/zinc/38/10/93/704381093.db2.gz VJQMRQWFYWFYAZ-NSHDSACASA-N -1 3 313.365 1.429 20 30 DDEDHM C#CCCOc1ccc(C(=O)NCCCc2cc(=O)[nH][n-]2)cc1 ZINC000854485082 704405427 /nfs/dbraw/zinc/40/54/27/704405427.db2.gz TZUZGSIENRDMDA-UHFFFAOYSA-N -1 3 313.357 1.475 20 30 DDEDHM C=CCCO[N-]C(=O)c1c(Cl)cccc1S(C)(=O)=O ZINC000856034285 704510509 /nfs/dbraw/zinc/51/05/09/704510509.db2.gz KKJJOFGGGWXBJV-UHFFFAOYSA-N -1 3 303.767 1.981 20 30 DDEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867224824 706930004 /nfs/dbraw/zinc/93/00/04/706930004.db2.gz DUHQKFZRHGECEN-MRVPVSSYSA-N -1 3 322.228 1.816 20 30 DDEDHM C#CCCOC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000859003203 704783029 /nfs/dbraw/zinc/78/30/29/704783029.db2.gz NNCBINGVCGVGSE-UHFFFAOYSA-N -1 3 302.330 1.310 20 30 DDEDHM C[C@@]1(C(=O)N[C@H]2CCCN([O-])C2=O)CC(c2ccccc2)=NO1 ZINC000823160178 705156902 /nfs/dbraw/zinc/15/69/02/705156902.db2.gz AEHCOKRLYFLJRC-LRDDRELGSA-N -1 3 317.345 1.066 20 30 DDEDHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)CC1(C#N)CC1 ZINC000826159037 705779496 /nfs/dbraw/zinc/77/94/96/705779496.db2.gz NTYGQQODFRVYGA-UHFFFAOYSA-N -1 3 312.377 1.619 20 30 DDEDHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)CC1(C#N)CC1 ZINC000826159037 705779502 /nfs/dbraw/zinc/77/95/02/705779502.db2.gz NTYGQQODFRVYGA-UHFFFAOYSA-N -1 3 312.377 1.619 20 30 DDEDHM Cc1cc2cc(NC(=O)N[C@H]3CCCN([O-])C3=O)ccc2[nH]1 ZINC000878610959 706444446 /nfs/dbraw/zinc/44/44/46/706444446.db2.gz HXMFLIPGCJWZGL-ZDUSSCGKSA-N -1 3 302.334 1.978 20 30 DDEDHM CCCOc1ccc(NC(=O)N[C@@H]2CCCN([O-])C2=O)cc1 ZINC000879082992 706583543 /nfs/dbraw/zinc/58/35/43/706583543.db2.gz HRDATZLXSBWWII-CYBMUJFWSA-N -1 3 307.350 1.977 20 30 DDEDHM CN(C)c1cc(F)cc(NC(=O)N[C@H]2CCCN([O-])C2=O)c1 ZINC000879992573 706846128 /nfs/dbraw/zinc/84/61/28/706846128.db2.gz KGUIBTYJNUGAAH-LBPRGKRZSA-N -1 3 310.329 1.393 20 30 DDEDHM C=C[C@H](C)[N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F ZINC000866949543 706853653 /nfs/dbraw/zinc/85/36/53/706853653.db2.gz RAULTQJUXPPHQV-YYSFKGJASA-N -1 3 306.384 1.691 20 30 DDEDHM N#Cc1c(F)cccc1S(=O)(=O)[N-][C@@H]1C[C@H]1C(F)(F)F ZINC000867692135 707076036 /nfs/dbraw/zinc/07/60/36/707076036.db2.gz BVZCSKGRAIMARM-VXNVDRBHSA-N -1 3 308.256 1.926 20 30 DDEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@]1(C)CNC(=O)C1 ZINC000838995032 708012063 /nfs/dbraw/zinc/01/20/63/708012063.db2.gz LHKAPLATKOSMKK-MRXNPFEDSA-N -1 3 317.345 1.030 20 30 DDEDHM C#CC[C@@H](NCc1cccc([O-])c1Br)C(=O)OC ZINC000839169521 708033020 /nfs/dbraw/zinc/03/30/20/708033020.db2.gz STHOOCRCBJFVIS-SNVBAGLBSA-N -1 3 312.163 1.809 20 30 DDEDHM Cc1cc(=O)[n-]c(N2CCN(c3cccc(F)c3C#N)CC2)n1 ZINC000884703820 708361610 /nfs/dbraw/zinc/36/16/10/708361610.db2.gz LJQLROAWQDVDHO-UHFFFAOYSA-N -1 3 313.336 1.828 20 30 DDEDHM C#CCSCC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000897649667 708405347 /nfs/dbraw/zinc/40/53/47/708405347.db2.gz BWNRKFCJBYGPMN-UHFFFAOYSA-N -1 3 322.352 1.270 20 30 DDEDHM C=C(C)C[C@@H]([N-]S(=O)(=O)CCCC1CC1)C(=O)OCC ZINC000885354100 708526084 /nfs/dbraw/zinc/52/60/84/708526084.db2.gz QEIZLYNKIMDJMY-CYBMUJFWSA-N -1 3 303.424 1.994 20 30 DDEDHM C#CCC1([N-]S(=O)(=O)c2cnc(CC)s2)CCOCC1 ZINC000885841064 708637422 /nfs/dbraw/zinc/63/74/22/708637422.db2.gz YOFVSLMRQFJVFV-UHFFFAOYSA-N -1 3 314.432 1.556 20 30 DDEDHM O=C(Cc1ccc([O-])c(F)c1)N1CCC2(CC1)CC(=O)C=CO2 ZINC000887771094 709120951 /nfs/dbraw/zinc/12/09/51/709120951.db2.gz QDRIIBWFQVDRMV-UHFFFAOYSA-N -1 3 319.332 1.938 20 30 DDEDHM C=C(C)[C@@H](CC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)OCC ZINC000910178162 709799221 /nfs/dbraw/zinc/79/92/21/709799221.db2.gz TXIMMLPYQVMTNF-CYBMUJFWSA-N -1 3 312.410 1.365 20 30 DDEDHM C=CCOC[C@H](NCc1cnn(-c2ccccc2)c1)C(=O)[O-] ZINC000901810092 710152958 /nfs/dbraw/zinc/15/29/58/710152958.db2.gz WIBKZJOHUSSKIE-HNNXBMFYSA-N -1 3 301.346 1.618 20 30 DDEDHM C#CCN1CCC(C(=O)Nc2cc(C)cc(C(=O)[O-])c2)CC1 ZINC000911071749 710620892 /nfs/dbraw/zinc/62/08/92/710620892.db2.gz ZSUOYTZWHRBZAF-UHFFFAOYSA-N -1 3 300.358 1.977 20 30 DDEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1cnn(C)c1Br ZINC000903120645 711037711 /nfs/dbraw/zinc/03/77/11/711037711.db2.gz XVRGZWAFKJREGC-SSDOTTSWSA-N -1 3 321.200 1.009 20 30 DDEDHM Cc1cc(=O)[n-]c(CNC(=O)Cc2c(C)cc(C#N)cc2C)n1 ZINC000911863301 711038920 /nfs/dbraw/zinc/03/89/20/711038920.db2.gz KYEUINGEMZRTBL-UHFFFAOYSA-N -1 3 310.357 1.838 20 30 DDEDHM C=CCCCCNC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000894261355 711042078 /nfs/dbraw/zinc/04/20/78/711042078.db2.gz LZAMYLGCVFXGKG-GFCCVEGCSA-N -1 3 305.382 1.416 20 30 DDEDHM Cc1ccc(C(=O)C=CC(=O)NCCCc2c[n-][nH]c2=O)cc1 ZINC000912469385 711342053 /nfs/dbraw/zinc/34/20/53/711342053.db2.gz DKIVRPCRKDSQKD-QIAWRQBBSA-N -1 3 313.357 1.362 20 30 DDEDHM C=CCC(C)(C)CNC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000895044243 711383384 /nfs/dbraw/zinc/38/33/84/711383384.db2.gz QMBPGJSDJJZRON-GFCCVEGCSA-N -1 3 319.409 1.662 20 30 DDEDHM O=C1[C@H](NCc2cnn(-c3ccc(F)cc3)c2)CCCN1[O-] ZINC000895164672 711439212 /nfs/dbraw/zinc/43/92/12/711439212.db2.gz HKRIKSYBFIWJCS-CQSZACIVSA-N -1 3 304.325 1.481 20 30 DDEDHM COc1cc2c(cc1CN[C@@H]1CCCN([O-])C1=O)O[C@@H](C)C2 ZINC000895165840 711439674 /nfs/dbraw/zinc/43/96/74/711439674.db2.gz MVSYBVRTTXZNAR-GXFFZTMASA-N -1 3 306.362 1.488 20 30 DDEDHM C#CCSCC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000895706880 711583949 /nfs/dbraw/zinc/58/39/49/711583949.db2.gz OMBINCIWTUSJTN-UHFFFAOYSA-N -1 3 318.398 1.043 20 30 DDEDHM Cc1cc(C(=O)N2CCc3c(nc[n-]c3=O)C2)cc(C)c1C#N ZINC000907314621 712541308 /nfs/dbraw/zinc/54/13/08/712541308.db2.gz SWGIYJAZDMKDQU-UHFFFAOYSA-N -1 3 308.341 1.869 20 30 DDEDHM 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GRQZQNVPFJXVRS-MRXNPFEDSA-N -1 3 318.377 1.178 20 30 DDEDHM C=C[C@](C)(CC)C(=O)N(C)CCNC(=O)c1c(C)nc[n-]c1=O ZINC001296201475 916272014 /nfs/dbraw/zinc/27/20/14/916272014.db2.gz FUKZCSBCJOLQHR-MRXNPFEDSA-N -1 3 320.393 1.281 20 30 DDEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H]1O ZINC000305436998 231007182 /nfs/dbraw/zinc/00/71/82/231007182.db2.gz JDNOGJJNVNFLGD-JOYOIKCWSA-N -1 3 314.794 1.651 20 30 DDEDHM CO[C@@H]([C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1C#N)C1CC1 ZINC000451980960 231256346 /nfs/dbraw/zinc/25/63/46/231256346.db2.gz DJPWOTLBRSSRQF-XPTSAGLGSA-N -1 3 312.366 1.789 20 30 DDEDHM CC[C@@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000443325401 529536196 /nfs/dbraw/zinc/53/61/96/529536196.db2.gz GFYIBAAHSQQZKJ-MFKMUULPSA-N -1 3 314.382 1.773 20 30 DDEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(F)c(-c2nc[nH]n2)c1 ZINC000416960497 529588776 /nfs/dbraw/zinc/58/87/76/529588776.db2.gz ODAGGYBBLLNIDJ-SECBINFHSA-N -1 3 309.326 1.655 20 30 DDEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)NC ZINC000452072992 529645276 /nfs/dbraw/zinc/64/52/76/529645276.db2.gz AGZAFPZPVMHUIF-JTQLQIEISA-N -1 3 315.782 1.015 20 30 DDEDHM CN(C)S(=O)(=O)c1ccc(C([O-])=C(C#N)c2ccccn2)o1 ZINC000041480520 352309269 /nfs/dbraw/zinc/30/92/69/352309269.db2.gz NUWJWQNTUQXTQD-SNVBAGLBSA-N -1 3 319.342 1.415 20 30 DDEDHM CN(C)[C@H](C[N-]S(=O)(=O)c1cccnc1C#N)c1ccco1 ZINC000277121681 213308312 /nfs/dbraw/zinc/30/83/12/213308312.db2.gz ZEHDYNKNESVJJC-GFCCVEGCSA-N -1 3 320.374 1.127 20 30 DDEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCOCC2CC2)c(F)c1 ZINC000151029793 354179378 /nfs/dbraw/zinc/17/93/78/354179378.db2.gz FQRVJIPWIBGASZ-UHFFFAOYSA-N -1 3 312.366 1.792 20 30 DDEDHM C=CCCC[C@@H](C)NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000179796581 354263556 /nfs/dbraw/zinc/26/35/56/354263556.db2.gz WAYRVGCNQYLFJS-LLVKDONJSA-N -1 3 316.448 1.887 20 30 DDEDHM C=CCN1CCC(NC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)CC1 ZINC000578887389 354713438 /nfs/dbraw/zinc/71/34/38/354713438.db2.gz RMUMXLSOSWGRID-OCCSQVGLSA-N -1 3 309.410 1.389 20 30 DDEDHM Cc1cc(C#N)cc(N2CCC[C@H]2C[C@@]2(C)NC(=O)[N-]C2=O)n1 ZINC000588073517 354899271 /nfs/dbraw/zinc/89/92/71/354899271.db2.gz BVITUGFGXARQAH-BLLLJJGKSA-N -1 3 313.361 1.219 20 30 DDEDHM O=C(CNC(=O)c1ccc([O-])cc1)NCC#Cc1ccccc1 ZINC000589685383 355011303 /nfs/dbraw/zinc/01/13/03/355011303.db2.gz FOZIKXZTPZQVGO-UHFFFAOYSA-N -1 3 308.337 1.290 20 30 DDEDHM CCC[C@@H](OC)C(=O)[N-]c1nc(C)nn1-c1ccc(C#N)cc1 ZINC000590983874 355228998 /nfs/dbraw/zinc/22/89/98/355228998.db2.gz YLLYUFNXTCLGHO-CQSZACIVSA-N -1 3 313.361 1.623 20 30 DDEDHM N#Cc1sccc1S(=O)(=O)[N-][C@H]1CCC[C@@H](CO)C1 ZINC000593607363 355941275 /nfs/dbraw/zinc/94/12/75/355941275.db2.gz FAUTXYZDOOGMIS-ZJUUUORDSA-N -1 3 300.405 1.449 20 30 DDEDHM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccsc2C#N)CN1C1CC1 ZINC000593561341 355925496 /nfs/dbraw/zinc/92/54/96/355925496.db2.gz VJFKQAJYKSGUTA-VHSXEESVSA-N -1 3 311.432 1.523 20 30 DDEDHM COC(=O)C1(CS(=O)(=O)[N-]CC2(C#N)CCCC2)CCC1 ZINC000593622365 355945045 /nfs/dbraw/zinc/94/50/45/355945045.db2.gz DDTBYJIBESREPN-UHFFFAOYSA-N -1 3 314.407 1.333 20 30 DDEDHM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)cc2F)c2ncnn21 ZINC000594808721 356324240 /nfs/dbraw/zinc/32/42/40/356324240.db2.gz OTKKLTKQYIHURK-KCJUWKMLSA-N -1 3 321.337 1.273 20 30 DDEDHM CC(C)(C)C(F)(F)C[N-]S(=O)(=O)c1cncc(C#N)c1 ZINC000595383900 356473808 /nfs/dbraw/zinc/47/38/08/356473808.db2.gz QCEODGDYSUUNDV-UHFFFAOYSA-N -1 3 303.334 1.913 20 30 DDEDHM CC1(C)OCC[C@H]1C[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000595392566 356476217 /nfs/dbraw/zinc/47/62/17/356476217.db2.gz OIPDYECMADBRSV-NSHDSACASA-N -1 3 312.366 1.791 20 30 DDEDHM CCc1nc(S(=O)(=O)[N-][C@]2(C#N)CC2(C)C)cn1CC1CC1 ZINC000596042009 356751761 /nfs/dbraw/zinc/75/17/61/356751761.db2.gz RBOOIYOHSGNKOB-HNNXBMFYSA-N -1 3 322.434 1.826 20 30 DDEDHM N#CC1(CC(=O)Nc2nnc(SCCO)[n-]2)CCCCC1 ZINC000598689535 357688837 /nfs/dbraw/zinc/68/88/37/357688837.db2.gz ICCGIAWEROSTQL-UHFFFAOYSA-N -1 3 309.395 1.692 20 30 DDEDHM N#CC1(CC(=O)Nc2nc(SCCO)n[n-]2)CCCCC1 ZINC000598689535 357688843 /nfs/dbraw/zinc/68/88/43/357688843.db2.gz ICCGIAWEROSTQL-UHFFFAOYSA-N -1 3 309.395 1.692 20 30 DDEDHM N#CC1(CC(=O)Nc2n[n-]c(SCCO)n2)CCCCC1 ZINC000598689535 357688849 /nfs/dbraw/zinc/68/88/49/357688849.db2.gz ICCGIAWEROSTQL-UHFFFAOYSA-N -1 3 309.395 1.692 20 30 DDEDHM CC[C@@H](C#N)[N-]S(=O)(=O)C[C@H](OC)c1ccc(F)cc1 ZINC000600667286 358276912 /nfs/dbraw/zinc/27/69/12/358276912.db2.gz XGZMTEDCVCMNAM-STQMWFEESA-N -1 3 300.355 1.735 20 30 DDEDHM C=CCC[C@@H]([N-]S(=O)(=O)C1(C(C)C)CC1)C(=O)OCC ZINC000601431860 358550406 /nfs/dbraw/zinc/55/04/06/358550406.db2.gz HFXUXSLRWPGPCX-GFCCVEGCSA-N -1 3 303.424 1.992 20 30 DDEDHM Cc1nc(C#N)c(N2[N-]C(=O)C[C@](C)(c3ccsc3)C2=O)o1 ZINC000601940991 358745390 /nfs/dbraw/zinc/74/53/90/358745390.db2.gz VVSNQTBZNJFIEV-CQSZACIVSA-N -1 3 316.342 1.642 20 30 DDEDHM C=CC[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000185779811 199887227 /nfs/dbraw/zinc/88/72/27/199887227.db2.gz KHQLBDIZSXDDIV-UHFFFAOYSA-N -1 3 318.192 1.848 20 30 DDEDHM CCN1CCN([C@H](C)CNC(=O)c2ccc(C#N)c([O-])c2)CC1 ZINC000188626696 200277139 /nfs/dbraw/zinc/27/71/39/200277139.db2.gz YMZYYLIMRMAWQV-CYBMUJFWSA-N -1 3 316.405 1.020 20 30 DDEDHM Cn1cnc(S(=O)(=O)[N-][C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000618716122 363733395 /nfs/dbraw/zinc/73/33/95/363733395.db2.gz MXJXDMBKQDAXFM-CYBMUJFWSA-N -1 3 302.359 1.258 20 30 DDEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CO)CC2CC2)c(Cl)c1 ZINC000611540231 360753302 /nfs/dbraw/zinc/75/33/02/360753302.db2.gz VZDNFTRSVPTYGR-LLVKDONJSA-N -1 3 314.794 1.651 20 30 DDEDHM Cc1nc(C)c(CCC(=O)N2CCC[C@](C)(C#N)C2)c(=O)[n-]1 ZINC000612250739 360950937 /nfs/dbraw/zinc/95/09/37/360950937.db2.gz KYRFDHAMKPIZLH-MRXNPFEDSA-N -1 3 302.378 1.884 20 30 DDEDHM COC1(CNC(=O)c2cc(=O)[n-]c(N(C)C)n2)CCCCC1 ZINC000330447290 223118095 /nfs/dbraw/zinc/11/80/95/223118095.db2.gz YKLBRXZPAQMZKD-UHFFFAOYSA-N -1 3 308.382 1.902 20 30 DDEDHM Cc1ccc(C(=O)NCCC(=O)N2C[C@H](O)C[C@@H]2C)c([O-])c1 ZINC000331244088 223196450 /nfs/dbraw/zinc/19/64/50/223196450.db2.gz QIXVHQBOQUACJI-NWDGAFQWSA-N -1 3 306.362 1.377 20 30 DDEDHM C=C(C)C[C@H](NC(C)=O)C(=O)[N-]c1nncn1-c1ccccc1 ZINC000613174046 361306963 /nfs/dbraw/zinc/30/69/63/361306963.db2.gz PZGDJPGUIVKAKL-AWEZNQCLSA-N -1 3 313.361 1.677 20 30 DDEDHM CN1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000271689573 209127223 /nfs/dbraw/zinc/12/72/23/209127223.db2.gz FCADDWQVNGMRHV-GFCCVEGCSA-N -1 3 313.810 1.584 20 30 DDEDHM C[C@H](CO[C@@H]1CCOC1)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000333284872 248958068 /nfs/dbraw/zinc/95/80/68/248958068.db2.gz QGTQOWAHQBOZHV-NXEZZACHSA-N -1 3 316.404 1.092 20 30 DDEDHM Cc1noc(C(C)(C)[N-]S(=O)(=O)Cc2cccc(C#N)c2)n1 ZINC000284703149 218139881 /nfs/dbraw/zinc/13/98/81/218139881.db2.gz PXVMFRYTYMLTDI-UHFFFAOYSA-N -1 3 320.374 1.604 20 30 DDEDHM CCOc1ccc(C#N)cc1[N-]C(=O)c1cc(C(=O)OC)on1 ZINC000339182843 250332603 /nfs/dbraw/zinc/33/26/03/250332603.db2.gz WTDRBTUECBTTKP-UHFFFAOYSA-N -1 3 315.285 1.984 20 30 DDEDHM N#Cc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000109875478 194295117 /nfs/dbraw/zinc/29/51/17/194295117.db2.gz WEFZYGGTNYTVLB-UHFFFAOYSA-N -1 3 304.313 1.668 20 30 DDEDHM N#Cc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000109875478 194295121 /nfs/dbraw/zinc/29/51/21/194295121.db2.gz WEFZYGGTNYTVLB-UHFFFAOYSA-N -1 3 304.313 1.668 20 30 DDEDHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)c1ccc(C#N)cc1 ZINC000341083957 251371874 /nfs/dbraw/zinc/37/18/74/251371874.db2.gz KUVBTDIFMNSYGU-UHFFFAOYSA-N -1 3 319.342 1.324 20 30 DDEDHM Cc1noc(C)c1C[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000112673668 194500918 /nfs/dbraw/zinc/50/09/18/194500918.db2.gz UAVVJAABPZECHP-UHFFFAOYSA-N -1 3 309.322 1.781 20 30 DDEDHM CC(C)OCCC[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000156092802 197086385 /nfs/dbraw/zinc/08/63/85/197086385.db2.gz CIRPBBJWDSMDOF-UHFFFAOYSA-N -1 3 300.355 1.791 20 30 DDEDHM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)C(C)C ZINC000035249065 406971020 /nfs/dbraw/zinc/97/10/20/406971020.db2.gz VZTQJILDNLBQDQ-ZDUSSCGKSA-N -1 3 310.375 1.175 20 30 DDEDHM C[C@@H](CC#N)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000050391671 407129933 /nfs/dbraw/zinc/12/99/33/407129933.db2.gz ZUQAFTXZEZDJFA-ZETCQYMHSA-N -1 3 304.169 1.425 20 30 DDEDHM N#Cc1cccc(CNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000104142467 407347580 /nfs/dbraw/zinc/34/75/80/407347580.db2.gz DQXHEOVSSNHSFP-UHFFFAOYSA-N -1 3 305.293 1.372 20 30 DDEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1CCCSC1 ZINC000124970817 407375456 /nfs/dbraw/zinc/37/54/56/407375456.db2.gz LDXLGEVAKQAZDQ-NSHDSACASA-N -1 3 300.380 1.871 20 30 DDEDHM CCOC(=O)C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000126699139 407419929 /nfs/dbraw/zinc/41/99/29/407419929.db2.gz MXZNVZYGRLFHOA-UHFFFAOYSA-N -1 3 302.739 1.053 20 30 DDEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H](O)C2CC2)c(Cl)c1 ZINC000227302477 407632254 /nfs/dbraw/zinc/63/22/54/407632254.db2.gz RZWXSFSPMLQFDO-NSHDSACASA-N -1 3 300.767 1.261 20 30 DDEDHM C[C@](CO)([N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1 ZINC000230367928 407687444 /nfs/dbraw/zinc/68/74/44/407687444.db2.gz WTUUZFXFOXADNS-CQSZACIVSA-N -1 3 322.411 1.806 20 30 DDEDHM C=CC[C@H](CO)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000186662670 407735673 /nfs/dbraw/zinc/73/56/73/407735673.db2.gz FPRQHXZHGKURJB-SSDOTTSWSA-N -1 3 311.190 1.604 20 30 DDEDHM C[C@H]1CCC[C@](C#N)(NC(=O)c2cnc3c(cnn3C)c2[O-])C1 ZINC000179504566 407800359 /nfs/dbraw/zinc/80/03/59/407800359.db2.gz WRCSSMDUFJQJOU-QFYYESIMSA-N -1 3 313.361 1.876 20 30 DDEDHM Cc1nc(C[N-]S(=O)(=O)c2ccc(C#N)nc2)sc1C ZINC000173225570 407870512 /nfs/dbraw/zinc/87/05/12/407870512.db2.gz XWQLQPYXCUHIIP-UHFFFAOYSA-N -1 3 308.388 1.505 20 30 DDEDHM CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ncccc1[O-] ZINC000153751154 407894847 /nfs/dbraw/zinc/89/48/47/407894847.db2.gz RXTZMQJJZMYHNF-UHFFFAOYSA-N -1 3 324.384 1.863 20 30 DDEDHM C=CCSCC[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000174991123 408022572 /nfs/dbraw/zinc/02/25/72/408022572.db2.gz FAIVHVAUCINYJB-UHFFFAOYSA-N -1 3 303.453 1.737 20 30 DDEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1ccc[nH]1 ZINC000135868461 408058333 /nfs/dbraw/zinc/05/83/33/408058333.db2.gz RVHQJNMJCQKVBY-UHFFFAOYSA-N -1 3 312.373 1.483 20 30 DDEDHM COC[C@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)c1ccco1 ZINC000175358545 408113489 /nfs/dbraw/zinc/11/34/89/408113489.db2.gz FVDDYGFSCHYJIF-AWEZNQCLSA-N -1 3 320.370 1.958 20 30 DDEDHM CC[C@H](COC)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000157843145 408318690 /nfs/dbraw/zinc/31/86/90/408318690.db2.gz MWHYCBDYQFDBRK-SECBINFHSA-N -1 3 313.335 1.170 20 30 DDEDHM COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)[N-]CC#N ZINC000190993824 408352987 /nfs/dbraw/zinc/35/29/87/408352987.db2.gz RYJKFWRRNNTGFT-SECBINFHSA-N -1 3 318.782 1.556 20 30 DDEDHM CCC[C@@H](O)C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000166461365 162167986 /nfs/dbraw/zinc/16/79/86/162167986.db2.gz QAZQLVJCPFTFRQ-SNVBAGLBSA-N -1 3 302.783 1.651 20 30 DDEDHM C=C(C)CN(C)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000183355583 408388278 /nfs/dbraw/zinc/38/82/78/408388278.db2.gz MMRNCIYEBNVNCY-UHFFFAOYSA-N -1 3 317.436 1.244 20 30 DDEDHM C[C@H](C#N)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000160695655 408515860 /nfs/dbraw/zinc/51/58/60/408515860.db2.gz YUTLKFZZPXMYAQ-ZCFIWIBFSA-N -1 3 307.144 1.779 20 30 DDEDHM C=C1CCN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)CC1 ZINC000264510119 408517573 /nfs/dbraw/zinc/51/75/73/408517573.db2.gz SFEIMLMOONZMNL-UHFFFAOYSA-N -1 3 312.366 1.989 20 30 DDEDHM C[C@@H](O)C[C@H](C)C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000184897964 408710185 /nfs/dbraw/zinc/71/01/85/408710185.db2.gz CHHSYUNKPOHGJS-VHSXEESVSA-N -1 3 316.810 1.897 20 30 DDEDHM C#C[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000193519332 408725424 /nfs/dbraw/zinc/72/54/24/408725424.db2.gz YDPVPVFCDBZWCO-SSDOTTSWSA-N -1 3 322.264 1.914 20 30 DDEDHM CC(C)(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccnc2C#N)CCO1 ZINC000277188054 408906381 /nfs/dbraw/zinc/90/63/81/408906381.db2.gz OICAOZVFLARMMY-SMDDNHRTSA-N -1 3 323.418 1.825 20 30 DDEDHM COC[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)OC ZINC000227703528 163339339 /nfs/dbraw/zinc/33/93/39/163339339.db2.gz SDUHJPIFATXOGZ-SNVBAGLBSA-N -1 3 318.782 1.151 20 30 DDEDHM 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/nfs/dbraw/zinc/63/92/86/598639286.db2.gz JKBZCNBKNBGMKP-PLNGDYQASA-N -1 3 309.333 1.542 20 30 DDEDHM C[C@@H](NS(=O)(=O)CCCC#N)c1cccc(-c2nnn[n-]2)c1 ZINC000820438295 599326627 /nfs/dbraw/zinc/32/66/27/599326627.db2.gz MHQXWBBQXJXKBJ-SNVBAGLBSA-N -1 3 320.378 1.151 20 30 DDEDHM C[C@@H](NS(=O)(=O)CCCC#N)c1cccc(-c2nn[n-]n2)c1 ZINC000820438295 599326628 /nfs/dbraw/zinc/32/66/28/599326628.db2.gz MHQXWBBQXJXKBJ-SNVBAGLBSA-N -1 3 320.378 1.151 20 30 DDEDHM CNC(=S)NN=C1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000821636447 599331968 /nfs/dbraw/zinc/33/19/68/599331968.db2.gz QVWKNZBWPSVCBG-UHFFFAOYSA-N -1 3 301.379 1.001 20 30 DDEDHM CNC(=S)NN=C1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000821636447 599331971 /nfs/dbraw/zinc/33/19/71/599331971.db2.gz QVWKNZBWPSVCBG-UHFFFAOYSA-N -1 3 301.379 1.001 20 30 DDEDHM N#CC1(C(=O)OCc2cn3ccccc3c2-c2nnn[n-]2)CCC1 ZINC000737680141 599498520 /nfs/dbraw/zinc/49/85/20/599498520.db2.gz WCFGRCWTHNKPIG-UHFFFAOYSA-N -1 3 322.328 1.856 20 30 DDEDHM 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ZINC000848131782 703511151 /nfs/dbraw/zinc/51/11/51/703511151.db2.gz CTIXBJWGEDFWIY-GFCCVEGCSA-N -1 3 315.329 1.359 20 30 DDEDHM O=C(N[C@@H]1CCCN([O-])C1=O)[C@@H]1CCN(c2ccccc2F)C1 ZINC000848132913 703511364 /nfs/dbraw/zinc/51/13/64/703511364.db2.gz QTQLYUCATZYYQF-DGCLKSJQSA-N -1 3 321.352 1.148 20 30 DDEDHM O=C(CCc1cnc2ccccc2c1)N[C@@H]1CCCN([O-])C1=O ZINC000848134063 703512207 /nfs/dbraw/zinc/51/22/07/703512207.db2.gz MWIGMUCQKKFATM-OAHLLOKOSA-N -1 3 313.357 1.664 20 30 DDEDHM CC(=O)c1cc(C(=O)N[C@@H]2CCCN([O-])C2=O)c(C)nc1C ZINC000848134360 703512257 /nfs/dbraw/zinc/51/22/57/703512257.db2.gz SOAUPNRIPRNYSW-CYBMUJFWSA-N -1 3 305.334 1.011 20 30 DDEDHM CC/C(=C\C(=O)N[C@@H]1CCCN([O-])C1=O)c1ccc(OC)cc1 ZINC000848135926 703512925 /nfs/dbraw/zinc/51/29/25/703512925.db2.gz RCBDHMILQOPYAK-AYJWMTRPSA-N -1 3 318.373 1.985 20 30 DDEDHM Cc1cc(C)cc(C2(C(=O)N[C@H]3CCCN([O-])C3=O)CC2)c1 ZINC000848137986 703513863 /nfs/dbraw/zinc/51/38/63/703513863.db2.gz HMYXYORAGHGFDW-AWEZNQCLSA-N -1 3 302.374 1.831 20 30 DDEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cnn(-c2ccccc2F)c1 ZINC000848138099 703513898 /nfs/dbraw/zinc/51/38/98/703513898.db2.gz JVXLMTFDEQEYBH-LBPRGKRZSA-N -1 3 318.308 1.121 20 30 DDEDHM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)NO ZINC000849186907 703624229 /nfs/dbraw/zinc/62/42/29/703624229.db2.gz OPEXEIMIGLHWQM-UHFFFAOYSA-N -1 3 324.333 1.674 20 30 DDEDHM C[C@H](CC(=O)c1ccc(F)cc1)C(=O)N[C@@H]1CCN([O-])C1=O ZINC000820127231 704225596 /nfs/dbraw/zinc/22/55/96/704225596.db2.gz JXPJTZCPHAYTJZ-BXKDBHETSA-N -1 3 308.309 1.141 20 30 DDEDHM COc1ccc([C@@H]2C[C@H]2CC(=O)N[C@H]2CCN([O-])C2=O)cc1 ZINC000820133621 704227039 /nfs/dbraw/zinc/22/70/39/704227039.db2.gz YHOZYOCYPWMPNT-UBHSHLNASA-N -1 3 304.346 1.295 20 30 DDEDHM CC(C)(C(=O)N[C@@H]1CCN([O-])C1=O)c1cccc(Cl)c1F ZINC000820143587 704229160 /nfs/dbraw/zinc/22/91/60/704229160.db2.gz LFJSVIWAPTWGBB-SNVBAGLBSA-N -1 3 314.744 1.863 20 30 DDEDHM C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CCN([O-])C1=O ZINC000820144023 704229287 /nfs/dbraw/zinc/22/92/87/704229287.db2.gz QTIYSFCBDZZBNJ-SKDRFNHKSA-N -1 3 324.764 1.655 20 30 DDEDHM O=C(N[C@H]1CCN([O-])C1=O)c1cc(C2CC2)nc2ccccc21 ZINC000820174029 704234144 /nfs/dbraw/zinc/23/41/44/704234144.db2.gz FZLGMYJYEJLDIN-AWEZNQCLSA-N -1 3 311.341 1.832 20 30 DDEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cc(F)c(F)cc1Cl ZINC000820476312 704286098 /nfs/dbraw/zinc/28/60/98/704286098.db2.gz KCVIDLSUZSFZJJ-JTQLQIEISA-N -1 3 304.680 1.728 20 30 DDEDHM O=C(N[C@H]1CCCN([O-])C1=O)C1(c2ccccc2)CCCC1 ZINC000820482575 704287740 /nfs/dbraw/zinc/28/77/40/704287740.db2.gz NKPKMCHHKYLWNS-AWEZNQCLSA-N -1 3 302.374 1.995 20 30 DDEDHM O=C(Cc1csc2ccccc12)N[C@H]1CCCN([O-])C1=O ZINC000820482608 704287882 /nfs/dbraw/zinc/28/78/82/704287882.db2.gz OGWWMTNYYOIGPK-LBPRGKRZSA-N -1 3 304.371 1.940 20 30 DDEDHM C[C@H](Sc1ccc(F)cc1)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000820544359 704297046 /nfs/dbraw/zinc/29/70/46/704297046.db2.gz IKSJSAAIEFKUDN-CABZTGNLSA-N -1 3 312.366 1.803 20 30 DDEDHM COc1cccc(C[C@H](C)CC(=O)N[C@H]2CCCN([O-])C2=O)c1 ZINC000820545398 704297637 /nfs/dbraw/zinc/29/76/37/704297637.db2.gz YHMBOLXKNYNXGV-WFASDCNBSA-N -1 3 320.389 1.760 20 30 DDEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OC1(C#N)CCC1 ZINC000820549684 704298314 /nfs/dbraw/zinc/29/83/14/704298314.db2.gz QDQVLKLVODLYTB-JTQLQIEISA-N -1 3 313.317 1.623 20 30 DDEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)OC1(C#N)CCC1 ZINC000820549684 704298316 /nfs/dbraw/zinc/29/83/16/704298316.db2.gz QDQVLKLVODLYTB-JTQLQIEISA-N -1 3 313.317 1.623 20 30 DDEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)[N-]O[C@H](CO)C(C)C ZINC000857287377 704574685 /nfs/dbraw/zinc/57/46/85/704574685.db2.gz PNUPSTRVGHAAHH-OAHLLOKOSA-N -1 3 322.409 1.411 20 30 DDEDHM N#C[C@@]1(c2ccccn2)CCCN(C(=O)c2cc(=O)[n-]cn2)C1 ZINC000862164618 705668071 /nfs/dbraw/zinc/66/80/71/705668071.db2.gz IWZWXMVZCQOUGW-INIZCTEOSA-N -1 3 309.329 1.275 20 30 DDEDHM Cc1c(C=CC(=O)c2ccc(-c3nnn[n-]3)c(F)c2)cnn1C ZINC000826235970 705783386 /nfs/dbraw/zinc/78/33/86/705783386.db2.gz VUAJWKKLUYHSAA-XQRVVYSFSA-N -1 3 312.308 1.944 20 30 DDEDHM Cc1c(C=CC(=O)c2ccc(-c3nn[n-]n3)c(F)c2)cnn1C ZINC000826235970 705783389 /nfs/dbraw/zinc/78/33/89/705783389.db2.gz VUAJWKKLUYHSAA-XQRVVYSFSA-N -1 3 312.308 1.944 20 30 DDEDHM O=C(Nc1ccc2ncsc2c1)N[C@H]1CCCN([O-])C1=O ZINC000878226799 706332093 /nfs/dbraw/zinc/33/20/93/706332093.db2.gz JYAUZZAJLPHGRN-JTQLQIEISA-N -1 3 306.347 1.798 20 30 DDEDHM CCOC(=O)[C@@H](C)[N-]S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000830160784 706466602 /nfs/dbraw/zinc/46/66/02/706466602.db2.gz IMBLVSHWEHQPEG-SECBINFHSA-N -1 3 314.338 1.068 20 30 DDEDHM CCCCCn1nc(C)cc1NC(=O)N[C@H]1CCCN([O-])C1=O ZINC000878872986 706521570 /nfs/dbraw/zinc/52/15/70/706521570.db2.gz LWJVCLXHUCGJMN-LBPRGKRZSA-N -1 3 323.397 1.883 20 30 DDEDHM CC[S@](C)(=O)=NS(=O)(=O)[N-][C@@H](C)c1cccc(C#N)c1 ZINC000866898481 706838957 /nfs/dbraw/zinc/83/89/57/706838957.db2.gz UTVUTKILFYDSQF-OVWNDWIMSA-N -1 3 315.420 1.571 20 30 DDEDHM Cc1ccc(S(=O)(=O)[N-][C@@H]2CCc3cc(C#N)ccc32)nn1 ZINC000867202873 706923273 /nfs/dbraw/zinc/92/32/73/706923273.db2.gz NRMGGLBOQNRMHI-CQSZACIVSA-N -1 3 314.370 1.623 20 30 DDEDHM C=C(C)C[C@H]([N-]S(=O)(=O)CC(C)(C)CC#N)C(=O)OCC ZINC000882645401 707732004 /nfs/dbraw/zinc/73/20/04/707732004.db2.gz RXAFHXJEJYBXMS-LBPRGKRZSA-N -1 3 316.423 1.744 20 30 DDEDHM C#Cc1cncc(C(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)c1 ZINC000898096370 708542170 /nfs/dbraw/zinc/54/21/70/708542170.db2.gz YRJAVNGARWDOAG-UHFFFAOYSA-N -1 3 312.329 1.994 20 30 DDEDHM C#Cc1cncc(C(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)c1 ZINC000898096370 708542173 /nfs/dbraw/zinc/54/21/73/708542173.db2.gz YRJAVNGARWDOAG-UHFFFAOYSA-N -1 3 312.329 1.994 20 30 DDEDHM C#Cc1ccc(C(=O)Nc2cc(C(=O)OC(C)(C)C)n[n-]2)nc1 ZINC000898097880 708543387 /nfs/dbraw/zinc/54/33/87/708543387.db2.gz RLLBPAIGALWDBA-UHFFFAOYSA-N -1 3 312.329 1.994 20 30 DDEDHM C#Cc1ccc(C(=O)Nc2cc(C(=O)OC(C)(C)C)[n-]n2)nc1 ZINC000898097880 708543389 /nfs/dbraw/zinc/54/33/89/708543389.db2.gz RLLBPAIGALWDBA-UHFFFAOYSA-N -1 3 312.329 1.994 20 30 DDEDHM Cc1cc(=O)[n-]c(N2CCN(Cc3ccc(C#N)cc3C)CC2)n1 ZINC000886656563 708806864 /nfs/dbraw/zinc/80/68/64/708806864.db2.gz KGEUGYOEOLHSQD-UHFFFAOYSA-N -1 3 323.400 1.993 20 30 DDEDHM O=C([C@@H]1CCS(=O)(=O)C1)N([O-])Cc1cccc2ccccc21 ZINC000901370204 710026640 /nfs/dbraw/zinc/02/66/40/710026640.db2.gz AYFYBDVADDBKLN-CQSZACIVSA-N -1 3 319.382 1.992 20 30 DDEDHM C=CCCC[C@@H](C)NC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000894028894 710934631 /nfs/dbraw/zinc/93/46/31/710934631.db2.gz UGYCWAXONWXWJP-OLZOCXBDSA-N -1 3 319.409 1.805 20 30 DDEDHM N#Cc1ccccc1C(F)(F)C(=O)NCCCc1c[n-][nH]c1=O ZINC000912471766 711343854 /nfs/dbraw/zinc/34/38/54/711343854.db2.gz XANCDPNSLTZBQF-LLVKDONJSA-N -1 3 320.299 1.278 20 30 DDEDHM CCCCN([O-])C(=O)[C@H]1CCCCN1S(=O)(=O)CCC ZINC000904208982 711410258 /nfs/dbraw/zinc/41/02/58/711410258.db2.gz OUEPZVNGOFZRSE-GFCCVEGCSA-N -1 3 306.428 1.599 20 30 DDEDHM CCCCN([O-])C(=O)c1cnn(C)c1I ZINC000904213658 711411407 /nfs/dbraw/zinc/41/14/07/711411407.db2.gz WHFCFVFARVILAX-UHFFFAOYSA-N -1 3 323.134 1.656 20 30 DDEDHM Cc1ccccc1-n1cc(CN[C@H]2CCCN([O-])C2=O)nn1 ZINC000895158485 711436156 /nfs/dbraw/zinc/43/61/56/711436156.db2.gz KECCYSWBKRQYNY-ZDUSSCGKSA-N -1 3 301.350 1.046 20 30 DDEDHM O=C1[C@@H](NCc2c(C3CC3)nc3sccn23)CCCN1[O-] ZINC000895163260 711438714 /nfs/dbraw/zinc/43/87/14/711438714.db2.gz SQBNWIJTSOKAGI-JTQLQIEISA-N -1 3 306.391 1.743 20 30 DDEDHM O=C1[C@@H](NCc2c(F)cccc2N2CCCC2)CCCN1[O-] ZINC000895166228 711439974 /nfs/dbraw/zinc/43/99/74/711439974.db2.gz PELBGVIRGQVUNF-AWEZNQCLSA-N -1 3 307.369 1.896 20 30 DDEDHM C[C@H]([N-]C(=O)C(F)(F)c1ccccc1C#N)c1ncnn1C ZINC000907674659 712612588 /nfs/dbraw/zinc/61/25/88/712612588.db2.gz VTHWBOGINQFRAX-VIFPVBQESA-N -1 3 305.288 1.656 20 30 DDEDHM Cc1nn(C)c(C)c1CC/N=C/c1c([O-])c(C)ncc1CO ZINC000914703750 713400359 /nfs/dbraw/zinc/40/03/59/713400359.db2.gz ZWZSWBDMRNXAFK-CAOOACKPSA-N -1 3 302.378 1.600 20 30 DDEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C)n(C)n1 ZINC000917520851 713502233 /nfs/dbraw/zinc/50/22/33/713502233.db2.gz WIFRSKGIAFJDNH-LLVKDONJSA-N -1 3 312.329 1.698 20 30 DDEDHM CC(C)(C#N)CS(=O)(=O)[N-][C@@H](CO)c1ccc(F)cc1F ZINC000917718777 713511251 /nfs/dbraw/zinc/51/12/51/713511251.db2.gz FQVRNJBSHPYDQC-LBPRGKRZSA-N -1 3 318.345 1.467 20 30 DDEDHM C=CCCC[C@H]([N-]S(=O)(=O)[C@H]1COC(C)(C)C1)C(=O)OC ZINC000921383417 713751076 /nfs/dbraw/zinc/75/10/76/713751076.db2.gz WFZBQIFMRTXHJO-NEPJUHHUSA-N -1 3 319.423 1.371 20 30 DDEDHM C=CCCC[C@@H]([N-]S(=O)(=O)C[C@H]1CCCCO1)C(=O)OC ZINC000921383854 713751893 /nfs/dbraw/zinc/75/18/93/713751893.db2.gz DIRHCOFKHKJWPK-CHWSQXEVSA-N -1 3 319.423 1.373 20 30 DDEDHM O=C([N-]CC#CCO)C(F)(F)c1cccc(Br)c1 ZINC000935841856 715132192 /nfs/dbraw/zinc/13/21/92/715132192.db2.gz HERAGTIIGLQPKE-UHFFFAOYSA-N -1 3 318.117 1.653 20 30 DDEDHM C=C(Cl)CN1CC[C@H](NC(=O)c2cnc[n-]c2=O)C(C)(C)C1 ZINC000940826662 716978036 /nfs/dbraw/zinc/97/80/36/716978036.db2.gz QLTDTJYSLYIDKT-LBPRGKRZSA-N -1 3 324.812 1.765 20 30 DDEDHM C=C[C@](C)(CC)C(=O)N1CCCC[C@H](NC(=O)c2cn[n-]n2)C1 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C[C@@H](C#N)C(=O)Nc1ccc(Br)cc1-c1nn[n-]n1 ZINC001362742451 884528081 /nfs/dbraw/zinc/52/80/81/884528081.db2.gz ZPIWCDVQLWZQQB-LURJTMIESA-N -1 3 321.138 1.727 20 30 DDEDHM C[C@@H](C#N)C(=O)Nc1ccc(Br)cc1-c1nnn[n-]1 ZINC001362742451 884528070 /nfs/dbraw/zinc/52/80/70/884528070.db2.gz ZPIWCDVQLWZQQB-LURJTMIESA-N -1 3 321.138 1.727 20 30 DDEDHM C=CCCCC(=O)NC1CC(N(C)C(=O)c2cnc[n-]c2=O)C1 ZINC001288326178 912835993 /nfs/dbraw/zinc/83/59/93/912835993.db2.gz WSUFXQGSWKOFOJ-UHFFFAOYSA-N -1 3 318.377 1.258 20 30 DDEDHM C=C[C@@H](C)[C@@H](C)C(=O)N1CC=C(CNC(=O)c2cn[n-]n2)CC1 ZINC001288411927 912884159 /nfs/dbraw/zinc/88/41/59/912884159.db2.gz KSRVHHKTCVEXOU-VXGBXAGGSA-N -1 3 317.393 1.151 20 30 DDEDHM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC001363814177 887291838 /nfs/dbraw/zinc/29/18/38/887291838.db2.gz NRNRBCUQDBWOEQ-LFNDISMMSA-N -1 3 301.350 1.208 20 30 DDEDHM CC(C)(C#N)CS(=O)(=O)[N-][C@@H](c1nc[nH]n1)c1ccccc1 ZINC001363972206 887641728 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Cc1conc1C[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC001365469488 890854512 /nfs/dbraw/zinc/85/45/12/890854512.db2.gz CHCOLGJDLVTFFZ-UHFFFAOYSA-N -1 3 311.750 1.987 20 30 DDEDHM N#Cc1cc([N-]S(=O)(=O)C2CCOCC2)cc(F)c1F ZINC001259915675 898924203 /nfs/dbraw/zinc/92/42/03/898924203.db2.gz RSPXBQJXXAYEQD-UHFFFAOYSA-N -1 3 302.302 1.757 20 30 DDEDHM C=CCS(=O)(=O)[N-]c1ccc2c3c1cccc3C(=O)NC2=O ZINC001259930785 898946361 /nfs/dbraw/zinc/94/63/61/898946361.db2.gz FMBNVSXGDULMGY-UHFFFAOYSA-N -1 3 316.338 1.651 20 30 DDEDHM C=CCC(CC=C)C(=O)N[C@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001265541854 902113615 /nfs/dbraw/zinc/11/36/15/902113615.db2.gz SKXZWOYKYRWHHP-TXEJJXNPSA-N -1 3 305.382 1.016 20 30 DDEDHM C=CCCC(=O)NC[C@@H]1CCCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001284108099 908488621 /nfs/dbraw/zinc/48/86/21/908488621.db2.gz RMRPCFJHOPYMHS-LBPRGKRZSA-N -1 3 318.377 1.117 20 30 DDEDHM C=CC(C)(C)C(=O)NC[C@@H](C)NC(=O)c1cccc2n[n-]nc21 ZINC001284299061 908793892 /nfs/dbraw/zinc/79/38/92/908793892.db2.gz 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MVLWLKRGFLTWLH-UHFFFAOYSA-N -1 3 307.398 1.529 20 30 DDEDHM C=CCOCCC[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000657148484 424159101 /nfs/dbraw/zinc/15/91/01/424159101.db2.gz ZUNLMKOSAGUGOJ-UHFFFAOYSA-N -1 3 309.309 1.975 20 30 DDEDHM CC(=O)c1ccc(C(=O)NCC2CCN(CC#N)CC2)cc1[O-] ZINC000665323443 424783062 /nfs/dbraw/zinc/78/30/62/424783062.db2.gz ZFPHZGALOOAFJU-UHFFFAOYSA-N -1 3 315.373 1.560 20 30 DDEDHM Cc1c(C#N)cccc1NC(=O)C(=O)NCc1ncccc1[O-] ZINC000351893011 267283006 /nfs/dbraw/zinc/28/30/06/267283006.db2.gz OOMPVDKQMFZVGH-UHFFFAOYSA-N -1 3 310.313 1.222 20 30 DDEDHM Cc1cc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1[O-] ZINC000355293191 267319701 /nfs/dbraw/zinc/31/97/01/267319701.db2.gz DSYBHINELLYPOA-UHFFFAOYSA-N -1 3 322.368 1.930 20 30 DDEDHM N#Cc1ccc(OCC[N-]S(=O)(=O)c2cncc(F)c2)cc1 ZINC000360551895 268175945 /nfs/dbraw/zinc/17/59/45/268175945.db2.gz MZQUBXULHGALKG-UHFFFAOYSA-N -1 3 321.333 1.450 20 30 DDEDHM CSc1[n-]c(=O)c(C(=O)NC[C@H]2CCCN2C)cc1C#N ZINC000341566471 271121533 /nfs/dbraw/zinc/12/15/33/271121533.db2.gz RKXXURSFFSGTTJ-SNVBAGLBSA-N -1 3 306.391 1.205 20 30 DDEDHM C[C@H](CN(C)C)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000168809622 279279428 /nfs/dbraw/zinc/27/94/28/279279428.db2.gz CBZUEBVZIDUSBN-SECBINFHSA-N -1 3 301.799 1.440 20 30 DDEDHM Cc1ccsc1[C@H](CO)[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000125291183 281205851 /nfs/dbraw/zinc/20/58/51/281205851.db2.gz GAEKVSJFRAUZJZ-LBPRGKRZSA-N -1 3 323.399 1.335 20 30 DDEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2O)c1 ZINC000160720404 303191658 /nfs/dbraw/zinc/19/16/58/303191658.db2.gz ZXJDJCFERANRGN-RYUDHWBXSA-N -1 3 314.794 1.793 20 30 DDEDHM Cc1ccc(N2CCC[C@H]2C[C@]2(C)NC(=O)[N-]C2=O)nc1C#N ZINC000553639157 303680528 /nfs/dbraw/zinc/68/05/28/303680528.db2.gz VDWWECZUDCLSOG-ZBEGNZNMSA-N -1 3 313.361 1.219 20 30 DDEDHM N#Cc1cncnc1N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000581817330 325916782 /nfs/dbraw/zinc/91/67/82/325916782.db2.gz FKXJITSZNXNWFR-UHFFFAOYSA-N -1 3 323.356 1.909 20 30 DDEDHM C=C[C@@H]1OCCC[C@H]1C(=O)Nc1nc(C)[n-]c1C(=O)OCC ZINC000562983420 333010101 /nfs/dbraw/zinc/01/01/01/333010101.db2.gz LDTRLUPJAPYJRF-MNOVXSKESA-N -1 3 307.350 1.815 20 30 DDEDHM C=C[C@@H]1OCCC[C@H]1C(=O)Nc1[n-]c(C)nc1C(=O)OCC ZINC000562983420 333010102 /nfs/dbraw/zinc/01/01/02/333010102.db2.gz LDTRLUPJAPYJRF-MNOVXSKESA-N -1 3 307.350 1.815 20 30 DDEDHM C=C[C@H](CC(=O)Nc1nc(CC(=O)OC)n[n-]1)c1ccccc1 ZINC000135012127 341228948 /nfs/dbraw/zinc/22/89/48/341228948.db2.gz BUWNKHLDVYOEQB-LLVKDONJSA-N -1 3 314.345 1.819 20 30 DDEDHM C=C[C@H](CC(=O)Nc1nnc(CC(=O)OC)[n-]1)c1ccccc1 ZINC000135012127 341228949 /nfs/dbraw/zinc/22/89/49/341228949.db2.gz BUWNKHLDVYOEQB-LLVKDONJSA-N -1 3 314.345 1.819 20 30 DDEDHM C=C[C@H](CC(=O)Nc1n[n-]c(CC(=O)OC)n1)c1ccccc1 ZINC000135012127 341228950 /nfs/dbraw/zinc/22/89/50/341228950.db2.gz BUWNKHLDVYOEQB-LLVKDONJSA-N -1 3 314.345 1.819 20 30 DDEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C1CC1 ZINC000452041582 534765639 /nfs/dbraw/zinc/76/56/39/534765639.db2.gz AQIMDTFKUHNYRI-QWRGUYRKSA-N -1 3 321.358 1.791 20 30 DDEDHM C#CCN1CCC(C(=O)OCc2cc(=O)[n-]c(C3CC3)n2)CC1 ZINC000491656005 526935173 /nfs/dbraw/zinc/93/51/73/526935173.db2.gz HJEACWYKOBIMRM-UHFFFAOYSA-N -1 3 315.373 1.448 20 30 DDEDHM C#C[C@@H](CCC)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000491439357 527259645 /nfs/dbraw/zinc/25/96/45/527259645.db2.gz JGCYNVWTGJYRLN-JTQLQIEISA-N -1 3 312.347 1.684 20 30 DDEDHM C#C[C@@H](CCC)[N-]S(=O)(=O)c1ccsc1C(=O)OC ZINC000491748535 527260606 /nfs/dbraw/zinc/26/06/06/527260606.db2.gz OQUQAYOAQCDEBJ-VIFPVBQESA-N -1 3 301.389 1.615 20 30 DDEDHM C#C[C@H](C)N(C)C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000491384941 527318667 /nfs/dbraw/zinc/31/86/67/527318667.db2.gz QFPNCGJSLOETLU-LBPRGKRZSA-N -1 3 324.384 1.553 20 30 DDEDHM C#C[C@H](C)N(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000491821067 527328839 /nfs/dbraw/zinc/32/88/39/527328839.db2.gz ZKAVEJJOPGXPDZ-JTQLQIEISA-N -1 3 324.377 1.360 20 30 DDEDHM C#C[C@H](NC(=O)C(=O)[N-]c1cnns1)c1ccc(Cl)cc1 ZINC000491545772 527379633 /nfs/dbraw/zinc/37/96/33/527379633.db2.gz RYTQPHVJQDDFTF-JTQLQIEISA-N -1 3 320.761 1.621 20 30 DDEDHM C=CCC[C@@H]([N-]S(=O)(=O)N1CCCC[C@H]1C)C(=O)OCC ZINC000452000558 527450713 /nfs/dbraw/zinc/45/07/13/527450713.db2.gz VKEHYAIPBDWCOF-CHWSQXEVSA-N -1 3 318.439 1.593 20 30 DDEDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)[C@H](C)C#N)[C@H]1Oc1ccccc1 ZINC000416465902 527947530 /nfs/dbraw/zinc/94/75/30/527947530.db2.gz NNJBYCGIPPIOPO-FAAHXZRKSA-N -1 3 324.402 1.443 20 30 DDEDHM CCO[C@@H]1C[C@](O)(CNC(=O)c2csc(=O)[n-]2)C1(C)C ZINC000329944315 527984083 /nfs/dbraw/zinc/98/40/83/527984083.db2.gz WRVRHWKZYGMGCE-RNCFNFMXSA-N -1 3 300.380 1.719 20 30 DDEDHM CC1(CO)CCN(C(=O)NCc2nnc(C(F)(F)F)[n-]2)CC1 ZINC000331187342 527990078 /nfs/dbraw/zinc/99/00/78/527990078.db2.gz VDZWNQBUSJVGOM-UHFFFAOYSA-N -1 3 321.303 1.332 20 30 DDEDHM CC1(CO)CCN(C(=O)NCc2n[n-]c(C(F)(F)F)n2)CC1 ZINC000331187342 527990083 /nfs/dbraw/zinc/99/00/83/527990083.db2.gz VDZWNQBUSJVGOM-UHFFFAOYSA-N -1 3 321.303 1.332 20 30 DDEDHM CC1(CO)CCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC1 ZINC000331187342 527990089 /nfs/dbraw/zinc/99/00/89/527990089.db2.gz VDZWNQBUSJVGOM-UHFFFAOYSA-N -1 3 321.303 1.332 20 30 DDEDHM C#CCCNC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000735376006 598823623 /nfs/dbraw/zinc/82/36/23/598823623.db2.gz VXECWUSBPHNJPF-AWEZNQCLSA-N -1 3 313.361 1.410 20 30 DDEDHM C#CCCNC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000735376006 598823624 /nfs/dbraw/zinc/82/36/24/598823624.db2.gz VXECWUSBPHNJPF-AWEZNQCLSA-N -1 3 313.361 1.410 20 30 DDEDHM C#CC(C)(C)NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000735376084 598911342 /nfs/dbraw/zinc/91/13/42/598911342.db2.gz WXHRCAFEZLUHPI-UHFFFAOYSA-N -1 3 315.402 1.628 20 30 DDEDHM C#CC(C)(C)NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000735376084 598911343 /nfs/dbraw/zinc/91/13/43/598911343.db2.gz WXHRCAFEZLUHPI-UHFFFAOYSA-N -1 3 315.402 1.628 20 30 DDEDHM N#Cc1ccc(NCCOc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000822829803 599049146 /nfs/dbraw/zinc/04/91/46/599049146.db2.gz KDGAJDOXJGYERN-UHFFFAOYSA-N -1 3 307.317 1.624 20 30 DDEDHM CC1(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)CCOCC1 ZINC000736203958 599193727 /nfs/dbraw/zinc/19/37/27/599193727.db2.gz PQHMPNIGAFKEFM-UHFFFAOYSA-N -1 3 312.333 1.494 20 30 DDEDHM CC1(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CCOCC1 ZINC000736203958 599193729 /nfs/dbraw/zinc/19/37/29/599193729.db2.gz PQHMPNIGAFKEFM-UHFFFAOYSA-N -1 3 312.333 1.494 20 30 DDEDHM C[C@H](C#N)COC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000819856353 607323263 /nfs/dbraw/zinc/32/32/63/607323263.db2.gz JDDJGMFAOGSSOG-ZJUUUORDSA-N -1 3 301.306 1.337 20 30 DDEDHM C[C@H](C#N)COC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000819856353 607323264 /nfs/dbraw/zinc/32/32/64/607323264.db2.gz JDDJGMFAOGSSOG-ZJUUUORDSA-N -1 3 301.306 1.337 20 30 DDEDHM C=CCOCC(=O)OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000735438239 598288594 /nfs/dbraw/zinc/28/85/94/598288594.db2.gz YVGSLTPIRUWWNB-UHFFFAOYSA-N -1 3 318.333 1.381 20 30 DDEDHM C=C1CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000735403276 598509548 /nfs/dbraw/zinc/50/95/48/598509548.db2.gz SZJQTUUWAUAULA-UHFFFAOYSA-N -1 3 323.353 1.347 20 30 DDEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCc1cscn1 ZINC000737703894 598567931 /nfs/dbraw/zinc/56/79/31/598567931.db2.gz CIRIDCUKDQDQMO-UHFFFAOYSA-N -1 3 316.375 1.464 20 30 DDEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCc1cscn1 ZINC000737703894 598567933 /nfs/dbraw/zinc/56/79/33/598567933.db2.gz CIRIDCUKDQDQMO-UHFFFAOYSA-N -1 3 316.375 1.464 20 30 DDEDHM C=C(C)COC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000735402073 598621015 /nfs/dbraw/zinc/62/10/15/598621015.db2.gz HGQACNVCEMUUKN-CQSZACIVSA-N -1 3 313.361 1.955 20 30 DDEDHM C=CC1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000735402505 598714773 /nfs/dbraw/zinc/71/47/73/598714773.db2.gz CVGGFKMXDAHRQA-UHFFFAOYSA-N -1 3 312.377 1.974 20 30 DDEDHM C=CC1CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735402505 598714776 /nfs/dbraw/zinc/71/47/76/598714776.db2.gz CVGGFKMXDAHRQA-UHFFFAOYSA-N -1 3 312.377 1.974 20 30 DDEDHM COc1cc(C#N)ccc1OCCn1cc(-c2nnn[n-]2)cn1 ZINC000737034419 599339824 /nfs/dbraw/zinc/33/98/24/599339824.db2.gz JAONFPFTFYCCMT-UHFFFAOYSA-N -1 3 311.305 1.022 20 30 DDEDHM COc1cc(C#N)ccc1OCCn1cc(-c2nn[n-]n2)cn1 ZINC000737034419 599339827 /nfs/dbraw/zinc/33/98/27/599339827.db2.gz JAONFPFTFYCCMT-UHFFFAOYSA-N -1 3 311.305 1.022 20 30 DDEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1OS(=O)(=O)CCCC#N ZINC000822135481 599360271 /nfs/dbraw/zinc/36/02/71/599360271.db2.gz BOISBHCLWIGYSO-UHFFFAOYSA-N -1 3 321.362 1.496 20 30 DDEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1OS(=O)(=O)CCCC#N ZINC000822135481 599360273 /nfs/dbraw/zinc/36/02/73/599360273.db2.gz BOISBHCLWIGYSO-UHFFFAOYSA-N -1 3 321.362 1.496 20 30 DDEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCCc1cccnc1 ZINC000737706051 599464238 /nfs/dbraw/zinc/46/42/38/599464238.db2.gz VEYMTALAKBYKKS-UHFFFAOYSA-N -1 3 324.373 1.445 20 30 DDEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCCc1cccnc1 ZINC000737706051 599464236 /nfs/dbraw/zinc/46/42/36/599464236.db2.gz VEYMTALAKBYKKS-UHFFFAOYSA-N -1 3 324.373 1.445 20 30 DDEDHM C=C(C)CN1CCC(NC(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC000736094830 599951361 /nfs/dbraw/zinc/95/13/61/599951361.db2.gz YQDVQMMLKMUDFD-UHFFFAOYSA-N -1 3 303.362 1.550 20 30 DDEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000737370449 600072136 /nfs/dbraw/zinc/07/21/36/600072136.db2.gz QRHDZPXIVKRDMU-LSDHHAIUSA-N -1 3 315.373 1.169 20 30 DDEDHM CN(Cc1cccc(C(N)=O)c1)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000737486983 600564567 /nfs/dbraw/zinc/56/45/67/600564567.db2.gz QSLHQYMHWIIFKC-MRXNPFEDSA-N -1 3 323.352 1.915 20 30 DDEDHM CC1(OCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)CCC1 ZINC000820629351 607499903 /nfs/dbraw/zinc/49/99/03/607499903.db2.gz WVPUCUYXUNETQQ-UHFFFAOYSA-N -1 3 312.333 1.636 20 30 DDEDHM CC1(OCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CCC1 ZINC000820629351 607499905 /nfs/dbraw/zinc/49/99/05/607499905.db2.gz WVPUCUYXUNETQQ-UHFFFAOYSA-N -1 3 312.333 1.636 20 30 DDEDHM COc1ccc(CNCc2ccc(C#N)o2)cc1-c1nnn[n-]1 ZINC000826202808 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USKLPEHFGMBULD-SECBINFHSA-N -1 3 324.266 1.614 20 30 DDEDHM N#C[C@@H]1CN(c2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCO1 ZINC000737685781 598580782 /nfs/dbraw/zinc/58/07/82/598580782.db2.gz USKLPEHFGMBULD-SECBINFHSA-N -1 3 324.266 1.614 20 30 DDEDHM C=C(Cl)CNC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000735402006 599389490 /nfs/dbraw/zinc/38/94/90/599389490.db2.gz DDRHLEVRAFAXNS-VIFPVBQESA-N -1 3 307.741 1.503 20 30 DDEDHM C=CC[C@@H](C)NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000819729679 599441394 /nfs/dbraw/zinc/44/13/94/599441394.db2.gz KNYJWNPMOUDYDA-LLVKDONJSA-N -1 3 316.365 1.509 20 30 DDEDHM C[C@H](NC(=O)c1ccc(C#N)nc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820396955 599507188 /nfs/dbraw/zinc/50/71/88/599507188.db2.gz JZRGWOXWYJJMEZ-JTQLQIEISA-N -1 3 319.328 1.624 20 30 DDEDHM C[C@H](NC(=O)c1ccc(C#N)nc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820396955 599507191 /nfs/dbraw/zinc/50/71/91/599507191.db2.gz JZRGWOXWYJJMEZ-JTQLQIEISA-N -1 3 319.328 1.624 20 30 DDEDHM C=CCN1CCC(NC(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)CC1 ZINC000736107030 600352219 /nfs/dbraw/zinc/35/22/19/600352219.db2.gz PEYLUZBMGQVBJU-AWEZNQCLSA-N -1 3 321.421 1.533 20 30 DDEDHM C=CCNC(=S)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000823925497 607529245 /nfs/dbraw/zinc/52/92/45/607529245.db2.gz LCUAXEWHSJEBNF-UHFFFAOYSA-N -1 3 304.379 1.025 20 30 DDEDHM C=CCNC(=S)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000823925497 607529246 /nfs/dbraw/zinc/52/92/46/607529246.db2.gz LCUAXEWHSJEBNF-UHFFFAOYSA-N -1 3 304.379 1.025 20 30 DDEDHM C=CCN(CC=C)S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000823904235 607542980 /nfs/dbraw/zinc/54/29/80/607542980.db2.gz XIODSCBCJBKWMQ-UHFFFAOYSA-N -1 3 319.390 1.538 20 30 DDEDHM C=CCN(CC=C)S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000823904235 607542983 /nfs/dbraw/zinc/54/29/83/607542983.db2.gz XIODSCBCJBKWMQ-UHFFFAOYSA-N -1 3 319.390 1.538 20 30 DDEDHM C[C@H](NC(=O)c1ccc(C#N)[nH]1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824513813 607693052 /nfs/dbraw/zinc/69/30/52/607693052.db2.gz IVAVWDULJQNBQQ-VIFPVBQESA-N -1 3 307.317 1.557 20 30 DDEDHM C[C@H](NC(=O)c1ccc(C#N)[nH]1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824513813 607693053 /nfs/dbraw/zinc/69/30/53/607693053.db2.gz IVAVWDULJQNBQQ-VIFPVBQESA-N -1 3 307.317 1.557 20 30 DDEDHM C=CCOc1cccc(CN2CCC([C@H](O)C(=O)[O-])CC2)c1 ZINC000833379066 604761144 /nfs/dbraw/zinc/76/11/44/604761144.db2.gz XNDMCTHMAFCPKG-INIZCTEOSA-N -1 3 305.374 1.909 20 30 DDEDHM C=CCN(CC=C)C(=O)[C@H](C)N1C[C@@H](CNC(=O)[O-])C[C@@H]1C ZINC000833788393 605889489 /nfs/dbraw/zinc/88/94/89/605889489.db2.gz XQHRJVUHTSQJBM-MELADBBJSA-N -1 3 309.410 1.554 20 30 DDEDHM CC[C@@H](C#N)OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000820842364 606613764 /nfs/dbraw/zinc/61/37/64/606613764.db2.gz MIZQVHOJPWJGLT-UWVGGRQHSA-N -1 3 301.306 1.479 20 30 DDEDHM CC[C@@H](C#N)OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000820842364 606613765 /nfs/dbraw/zinc/61/37/65/606613765.db2.gz MIZQVHOJPWJGLT-UWVGGRQHSA-N -1 3 301.306 1.479 20 30 DDEDHM N#Cc1cc(COC(=O)c2cccc(-c3nnn[n-]3)c2)ccn1 ZINC000822818495 606649705 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1.459 20 30 DDEDHM N#Cc1c[nH]c(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c1 ZINC000826383956 607932068 /nfs/dbraw/zinc/93/20/68/607932068.db2.gz ZKPJJWHSDQEVJJ-UHFFFAOYSA-N -1 3 305.301 1.269 20 30 DDEDHM N#Cc1c[nH]c(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c1 ZINC000826383956 607932069 /nfs/dbraw/zinc/93/20/69/607932069.db2.gz ZKPJJWHSDQEVJJ-UHFFFAOYSA-N -1 3 305.301 1.269 20 30 DDEDHM C#Cc1ccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cn1 ZINC000823861455 607950567 /nfs/dbraw/zinc/95/05/67/607950567.db2.gz JEKBQQLZVCRRNK-UHFFFAOYSA-N -1 3 316.324 1.446 20 30 DDEDHM C#Cc1ccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cn1 ZINC000823861455 607950568 /nfs/dbraw/zinc/95/05/68/607950568.db2.gz JEKBQQLZVCRRNK-UHFFFAOYSA-N -1 3 316.324 1.446 20 30 DDEDHM O=C1C(=Cc2cncnc2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000826476140 609271193 /nfs/dbraw/zinc/27/11/93/609271193.db2.gz BMVZOGXZPMNEDC-LFYBBSHMSA-N -1 3 304.313 1.869 20 30 DDEDHM O=C1C(=Cc2cncnc2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000826476140 609271195 /nfs/dbraw/zinc/27/11/95/609271195.db2.gz BMVZOGXZPMNEDC-LFYBBSHMSA-N -1 3 304.313 1.869 20 30 DDEDHM CCN(CCC#N)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000825419111 609298364 /nfs/dbraw/zinc/29/83/64/609298364.db2.gz HIUUPUKQZICVPS-UHFFFAOYSA-N -1 3 304.741 1.896 20 30 DDEDHM CCN(CCC#N)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000825419111 609298366 /nfs/dbraw/zinc/29/83/66/609298366.db2.gz HIUUPUKQZICVPS-UHFFFAOYSA-N -1 3 304.741 1.896 20 30 DDEDHM C=C(C)CN(C)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000823873028 609347499 /nfs/dbraw/zinc/34/74/99/609347499.db2.gz GUFISNNZJXMGHK-UHFFFAOYSA-N -1 3 303.391 1.993 20 30 DDEDHM C=C(C)CN(C)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000823873028 609347501 /nfs/dbraw/zinc/34/75/01/609347501.db2.gz GUFISNNZJXMGHK-UHFFFAOYSA-N -1 3 303.391 1.993 20 30 DDEDHM C[C@@H](NC(=O)NCC(C)(C)C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000824497975 609412139 /nfs/dbraw/zinc/41/21/39/609412139.db2.gz BBZAYYOOUDQWCP-SNVBAGLBSA-N -1 3 313.365 1.777 20 30 DDEDHM C[C@@H](NC(=O)NCC(C)(C)C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000824497975 609412141 /nfs/dbraw/zinc/41/21/41/609412141.db2.gz BBZAYYOOUDQWCP-SNVBAGLBSA-N -1 3 313.365 1.777 20 30 DDEDHM N#Cc1nc(N)n(CCc2cccc(F)c2F)c1-c1nnn[n-]1 ZINC000826387695 609488843 /nfs/dbraw/zinc/48/88/43/609488843.db2.gz LLKFHDUDAIXABW-UHFFFAOYSA-N -1 3 316.275 1.038 20 30 DDEDHM N#Cc1nc(N)n(CCc2cccc(F)c2F)c1-c1nn[n-]n1 ZINC000826387695 609488844 /nfs/dbraw/zinc/48/88/44/609488844.db2.gz LLKFHDUDAIXABW-UHFFFAOYSA-N -1 3 316.275 1.038 20 30 DDEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccccn1 ZINC000078956359 696456643 /nfs/dbraw/zinc/45/66/43/696456643.db2.gz XRXXEDKMJHGKBR-UHFFFAOYSA-N -1 3 311.341 1.934 20 30 DDEDHM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C#N)C(C)C)c(C)o1 ZINC000119133430 696677696 /nfs/dbraw/zinc/67/76/96/696677696.db2.gz HGRHOLBOWYGRME-SNVBAGLBSA-N -1 3 300.336 1.201 20 30 DDEDHM N#Cc1ccc(F)c(CNC(=O)c2nnc3ccccc3c2[O-])c1 ZINC000174412274 697388445 /nfs/dbraw/zinc/38/84/45/697388445.db2.gz IDHFHCYBYRRAOW-UHFFFAOYSA-N -1 3 322.299 1.864 20 30 DDEDHM COc1cc(C=NN[C@@H](C)CO)cc(Br)c1[O-] ZINC000749821717 700187918 /nfs/dbraw/zinc/18/79/18/700187918.db2.gz RENBERJHYMVNMX-ZETCQYMHSA-N -1 3 303.156 1.468 20 30 DDEDHM C[C@H]1[C@@H](NCC#N)CCN1C(=O)c1nnc2ccccc2c1[O-] ZINC000987108243 697995747 /nfs/dbraw/zinc/99/57/47/697995747.db2.gz KKLBYLRAAUURMA-JQWIXIFHSA-N -1 3 311.345 1.052 20 30 DDEDHM C#CCOc1ccc(F)cc1[N-]S(=O)(=O)N1CC[C@@H](C)C1 ZINC000777935380 698232305 /nfs/dbraw/zinc/23/23/05/698232305.db2.gz LZKUPYNVWKLACU-LLVKDONJSA-N -1 3 312.366 1.836 20 30 DDEDHM Cc1ncc(CO)c(C=NNCCC(=O)OC(C)(C)C)c1[O-] ZINC000783869076 698888565 /nfs/dbraw/zinc/88/85/65/698888565.db2.gz SCSHNAVICAMVHN-UHFFFAOYSA-N -1 3 309.366 1.243 20 30 DDEDHM C#CC[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000717795714 699290975 /nfs/dbraw/zinc/29/09/75/699290975.db2.gz URTLBXWJJQWIRV-VIFPVBQESA-N -1 3 308.186 1.656 20 30 DDEDHM C#CCNC(=O)COC(=O)c1cccc(Br)c1[O-] ZINC000730365725 699509096 /nfs/dbraw/zinc/50/90/96/699509096.db2.gz PIEHICMXNKBLKD-UHFFFAOYSA-N -1 3 312.119 1.061 20 30 DDEDHM CCOc1cc(C#N)ccc1OS(=O)(=O)c1cn[n-]c1C ZINC000732215731 699550486 /nfs/dbraw/zinc/55/04/86/699550486.db2.gz LEMNUEMJDQSFCB-UHFFFAOYSA-N -1 3 307.331 1.756 20 30 DDEDHM N#Cc1ccc(N2CC[C@@H](OC(=O)c3cncc([O-])c3)C2=O)cc1 ZINC000732391700 699558559 /nfs/dbraw/zinc/55/85/59/699558559.db2.gz MQDWWVCETDWVFQ-OAHLLOKOSA-N -1 3 323.308 1.621 20 30 DDEDHM Cc1ccc(NC(=O)Cn2ccc(C=N[O-])nc2=O)cc1C ZINC000736303207 699723023 /nfs/dbraw/zinc/72/30/23/699723023.db2.gz VJGJKZBHLNCCTA-UHFFFAOYSA-N -1 3 300.318 1.307 20 30 DDEDHM C[C@H](C(=O)N(C)c1ccccc1)n1ccc(C=N[O-])nc1=O ZINC000736303305 699723310 /nfs/dbraw/zinc/72/33/10/699723310.db2.gz WVBFEEZKOJLTTK-LLVKDONJSA-N -1 3 300.318 1.275 20 30 DDEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(C)[C@@H](C)C1 ZINC000742194748 699864523 /nfs/dbraw/zinc/86/45/23/699864523.db2.gz JHHONLDFDWSCRV-NSHDSACASA-N -1 3 316.405 1.371 20 30 DDEDHM O=C1CN(N=Cc2ccc(Br)cc2Cl)C(=O)[N-]1 ZINC000743432423 699911982 /nfs/dbraw/zinc/91/19/82/699911982.db2.gz LWRGIBLYCLKQAB-UHFFFAOYSA-N 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20 30 DDEDHM CCN(CCC#N)S(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000825419732 607608659 /nfs/dbraw/zinc/60/86/59/607608659.db2.gz UOXBDNBKMDJWKA-UHFFFAOYSA-N -1 3 320.378 1.099 20 30 DDEDHM CCN(CCC#N)S(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000825419732 607608660 /nfs/dbraw/zinc/60/86/60/607608660.db2.gz UOXBDNBKMDJWKA-UHFFFAOYSA-N -1 3 320.378 1.099 20 30 DDEDHM CCN(CCC#N)CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000821207712 606189467 /nfs/dbraw/zinc/18/94/67/606189467.db2.gz SPHHFMBFWLVIID-UHFFFAOYSA-N -1 3 313.365 1.431 20 30 DDEDHM C=CCCCC(=O)O[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819734368 606236058 /nfs/dbraw/zinc/23/60/58/606236058.db2.gz NDAZDMZIVWHMJE-ZDUSSCGKSA-N -1 3 315.333 1.293 20 30 DDEDHM C=CCCCC(=O)O[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819734368 606236060 /nfs/dbraw/zinc/23/60/60/606236060.db2.gz NDAZDMZIVWHMJE-ZDUSSCGKSA-N -1 3 315.333 1.293 20 30 DDEDHM C=CC[C@H](NC(=O)c1cc(-c2nnn[n-]2)cn1C)c1ccncc1 ZINC000819733752 606253569 /nfs/dbraw/zinc/25/35/69/606253569.db2.gz BDAWNTOLOTZVMS-ZDUSSCGKSA-N -1 3 323.360 1.647 20 30 DDEDHM C=CC[C@H](NC(=O)c1cc(-c2nn[n-]n2)cn1C)c1ccncc1 ZINC000819733752 606253570 /nfs/dbraw/zinc/25/35/70/606253570.db2.gz BDAWNTOLOTZVMS-ZDUSSCGKSA-N -1 3 323.360 1.647 20 30 DDEDHM C#Cc1ccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)nc1 ZINC000819710016 606272119 /nfs/dbraw/zinc/27/21/19/606272119.db2.gz VTZHJPSGGOLCPY-UHFFFAOYSA-N -1 3 308.276 1.634 20 30 DDEDHM C#Cc1ccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)nc1 ZINC000819710016 606272121 /nfs/dbraw/zinc/27/21/21/606272121.db2.gz VTZHJPSGGOLCPY-UHFFFAOYSA-N -1 3 308.276 1.634 20 30 DDEDHM CC(C)C[C@@](C)(C#N)NC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820051757 606284245 /nfs/dbraw/zinc/28/42/45/606284245.db2.gz VUUVXROBENARQP-AWEZNQCLSA-N -1 3 301.354 1.263 20 30 DDEDHM CC(C)C[C@@](C)(C#N)NC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820051757 606284247 /nfs/dbraw/zinc/28/42/47/606284247.db2.gz VUUVXROBENARQP-AWEZNQCLSA-N -1 3 301.354 1.263 20 30 DDEDHM Cc1ccccc1CCCn1c(N)nc(C#N)c1-c1nnn[n-]1 ZINC000822356467 606607778 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C=C[C@@H](CC(=O)n1ncc(-c2nnn[n-]2)c1N)c1ccccc1 ZINC000823883527 608011281 /nfs/dbraw/zinc/01/12/81/608011281.db2.gz SMJFBTIKUBMXGR-JTQLQIEISA-N -1 3 309.333 1.646 20 30 DDEDHM C=CCNC(=O)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000823925345 608205362 /nfs/dbraw/zinc/20/53/62/608205362.db2.gz IJCWNRIDRBFMPJ-UHFFFAOYSA-N -1 3 309.782 1.914 20 30 DDEDHM C=CCNC(=O)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000823925345 608205364 /nfs/dbraw/zinc/20/53/64/608205364.db2.gz IJCWNRIDRBFMPJ-UHFFFAOYSA-N -1 3 309.782 1.914 20 30 DDEDHM C#CCCCN1C(=O)N[C@](C)(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000823841002 608259895 /nfs/dbraw/zinc/25/98/95/608259895.db2.gz HMMCLHKMJNXTDX-MRXNPFEDSA-N -1 3 324.344 1.047 20 30 DDEDHM C#CCCCN1C(=O)N[C@](C)(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000823841002 608259896 /nfs/dbraw/zinc/25/98/96/608259896.db2.gz HMMCLHKMJNXTDX-MRXNPFEDSA-N -1 3 324.344 1.047 20 30 DDEDHM Cc1ccc(-c2nnn[n-]2)c(NCCNc2ncccc2C#N)n1 ZINC000826276619 608278868 /nfs/dbraw/zinc/27/88/68/608278868.db2.gz OGHIYLYGYCYCJM-UHFFFAOYSA-N 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CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCc1ccc(C#N)cc1 ZINC000152320338 696897745 /nfs/dbraw/zinc/89/77/45/696897745.db2.gz LVMIZAIAZJZSBZ-CYBMUJFWSA-N -1 3 324.402 1.565 20 30 DDEDHM CC(=NNCC(C)(C)S(C)(=O)=O)c1ccc([O-])c(F)c1 ZINC000774484974 697885207 /nfs/dbraw/zinc/88/52/07/697885207.db2.gz VQLLNBZFULQUPF-UHFFFAOYSA-N -1 3 302.371 1.668 20 30 DDEDHM C[C@@H]1[C@@H](NCC#N)CCN1C(=O)c1nnc2ccccc2c1[O-] ZINC000987108244 697995374 /nfs/dbraw/zinc/99/53/74/697995374.db2.gz KKLBYLRAAUURMA-PWSUYJOCSA-N -1 3 311.345 1.052 20 30 DDEDHM O=S1(=O)CCC(NN=Cc2c([O-])cccc2Cl)CC1 ZINC000776796641 698141058 /nfs/dbraw/zinc/14/10/58/698141058.db2.gz RHEHYQQBJSNHDK-UHFFFAOYSA-N -1 3 302.783 1.546 20 30 DDEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC=CCC2)ccc1F ZINC000778696790 698360267 /nfs/dbraw/zinc/36/02/67/698360267.db2.gz HYIFTCXBMAAKTB-UHFFFAOYSA-N -1 3 324.377 1.692 20 30 DDEDHM C=C(C)CN1CCC(NC(=O)N[C@@](C)(CCC)C(=O)[O-])CC1 ZINC000780564581 698532332 /nfs/dbraw/zinc/53/23/32/698532332.db2.gz AYOYTPSTQKELDB-INIZCTEOSA-N -1 3 311.426 1.970 20 30 DDEDHM C[C@@H](CC(=O)OC1CC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000783200974 698819051 /nfs/dbraw/zinc/81/90/51/698819051.db2.gz IAEHTVAYSLWZBN-VIFPVBQESA-N -1 3 308.359 1.209 20 30 DDEDHM CCN(C[C@H](C)C#N)C(=O)COC(=O)c1cc2occc2[n-]1 ZINC000786031262 699119354 /nfs/dbraw/zinc/11/93/54/699119354.db2.gz KOUIPOCSYSPVFI-SNVBAGLBSA-N -1 3 303.318 1.926 20 30 DDEDHM Cc1ncc(CO)c(C=NNc2ccc3c(cc[nH]c3=O)c2)c1[O-] ZINC000789071294 699359528 /nfs/dbraw/zinc/35/95/28/699359528.db2.gz SGLBLUYVUQDTJV-UHFFFAOYSA-N -1 3 324.340 1.875 20 30 DDEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1ccnn1CC(F)F ZINC000789406269 699384428 /nfs/dbraw/zinc/38/44/28/699384428.db2.gz WWRPOJQJLWQLRU-SECBINFHSA-N -1 3 319.271 1.504 20 30 DDEDHM Cc1nn2cccnc2c1C([O-])=C(C#N)C(=O)Nc1ccccn1 ZINC000727954843 699433769 /nfs/dbraw/zinc/43/37/69/699433769.db2.gz MMARZQAABYOKBW-LLVKDONJSA-N -1 3 320.312 1.394 20 30 DDEDHM Cn1nc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc1C1CC1 ZINC000744038965 699933317 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854658745 /nfs/dbraw/zinc/65/87/45/854658745.db2.gz KGVWYTNMYOLYMN-UHFFFAOYSA-N -1 3 308.345 1.567 20 30 DDEDHM CCN(Cc1cc(=O)n2[n-]cc(C#N)c2n1)C[C@@H]1CCCO1 ZINC001412952498 855812622 /nfs/dbraw/zinc/81/26/22/855812622.db2.gz WGRNJHNZTYVVTD-ZDUSSCGKSA-N -1 3 301.350 1.307 20 30 DDEDHM COc1cc(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)ccc1C#N ZINC001413241805 856577546 /nfs/dbraw/zinc/57/75/46/856577546.db2.gz ZYIDPFHKDGPQSG-LBPRGKRZSA-N -1 3 312.329 1.625 20 30 DDEDHM N#Cc1cccc(CS(=O)(=O)[N-]C2(c3ncon3)CC2)c1 ZINC001413451060 856828345 /nfs/dbraw/zinc/82/83/45/856828345.db2.gz YGPKSYCOPZORMR-UHFFFAOYSA-N -1 3 304.331 1.050 20 30 DDEDHM C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3nnn[n-]3)cc2)n1CC ZINC001121759131 858590702 /nfs/dbraw/zinc/59/07/02/858590702.db2.gz MSNKUDZIVNGLRC-NSHDSACASA-N -1 3 322.376 1.603 20 30 DDEDHM C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3nn[n-]n3)cc2)n1CC ZINC001121759131 858590707 /nfs/dbraw/zinc/59/07/07/858590707.db2.gz MSNKUDZIVNGLRC-NSHDSACASA-N -1 3 322.376 1.603 20 30 DDEDHM CCOC(=O)CN(CCC#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001139095575 860282954 /nfs/dbraw/zinc/28/29/54/860282954.db2.gz ZKRFFMVNYZWJLS-UHFFFAOYSA-N -1 3 314.349 1.145 20 30 DDEDHM CCOC(=O)CN(CCC#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001139095575 860282961 /nfs/dbraw/zinc/28/29/61/860282961.db2.gz ZKRFFMVNYZWJLS-UHFFFAOYSA-N -1 3 314.349 1.145 20 30 DDEDHM O=C(N[C@H]1CCN([O-])C1=O)c1ncsc1Nc1cccnc1 ZINC001141380125 860835113 /nfs/dbraw/zinc/83/51/13/860835113.db2.gz GXCJLBHVYVQODI-VIFPVBQESA-N -1 3 319.346 1.002 20 30 DDEDHM O=C(N[C@H]1CCN([O-])C1=O)c1ccc(Cl)c2ncccc12 ZINC001141380703 860835635 /nfs/dbraw/zinc/83/56/35/860835635.db2.gz ZHAALNROIHLWSW-NSHDSACASA-N -1 3 305.721 1.608 20 30 DDEDHM CC1(C)OC(=O)c2c1cccc2C(=O)N[C@@H]1CCCN([O-])C1=O ZINC001141463816 860860524 /nfs/dbraw/zinc/86/05/24/860860524.db2.gz UIOZBWGAKURMFS-LLVKDONJSA-N -1 3 318.329 1.202 20 30 DDEDHM C=C[C@H](COC)[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC001329949656 863965420 /nfs/dbraw/zinc/96/54/20/863965420.db2.gz 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DDEDHM COC(=O)Cc1c(O[C@H](C)c2ccccc2C#N)nc[n-]c1=O ZINC001230500263 884520353 /nfs/dbraw/zinc/52/03/53/884520353.db2.gz JQKAXXUUFQHMHV-SNVBAGLBSA-N -1 3 313.313 1.909 20 30 DDEDHM C=C1CC(C)(C(=O)NCC[C@@H](NCc2n[nH]c(=O)[n-]2)C(C)C)C1 ZINC001277587012 885945156 /nfs/dbraw/zinc/94/51/56/885945156.db2.gz ISZQJAIYYGDRDC-GFCCVEGCSA-N -1 3 321.425 1.487 20 30 DDEDHM Cc1ocnc1C[N-]S(=O)(=O)c1cccc(C#N)c1Cl ZINC001363835292 887350908 /nfs/dbraw/zinc/35/09/08/887350908.db2.gz HFKNBQMTRWPBBI-UHFFFAOYSA-N -1 3 311.750 1.987 20 30 DDEDHM COc1ncc(S(=O)(=O)[N-]Cc2ccc(C#N)s2)s1 ZINC001363928115 887558318 /nfs/dbraw/zinc/55/83/18/887558318.db2.gz RZTHPJOKBWCXDZ-UHFFFAOYSA-N -1 3 315.401 1.563 20 30 DDEDHM N#CC1(CNC(=O)c2cc(=O)[n-]c(C3CC3)n2)CCOCC1 ZINC001364441815 888646051 /nfs/dbraw/zinc/64/60/51/888646051.db2.gz DMKBBDPRVRFSPC-UHFFFAOYSA-N -1 3 302.334 1.110 20 30 DDEDHM CN(CC(C)(C)C#N)C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001364599496 889006819 /nfs/dbraw/zinc/00/68/19/889006819.db2.gz 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/nfs/dbraw/zinc/94/62/09/601946209.db2.gz BMPXNVCDGXLGIF-YOEHRIQHSA-N -1 3 313.357 1.460 20 30 DDEDHM C=C(C)CN1CCC(NC(=O)NCCN(C(=O)[O-])C2CC2)CC1 ZINC000738485783 602678574 /nfs/dbraw/zinc/67/85/74/602678574.db2.gz RLRMUBNNSRQTAG-UHFFFAOYSA-N -1 3 324.425 1.469 20 30 DDEDHM N#Cc1ccc(CN2CCCN(CCNC(=O)[O-])CC2)cc1 ZINC000740313146 603082242 /nfs/dbraw/zinc/08/22/42/603082242.db2.gz QCDBPLHIIJXBBW-UHFFFAOYSA-N -1 3 302.378 1.334 20 30 DDEDHM C=C(Cl)CNS(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC000823882919 607617850 /nfs/dbraw/zinc/61/78/50/607617850.db2.gz GDWJSYBNGJTWLC-UHFFFAOYSA-N -1 3 313.770 1.206 20 30 DDEDHM C=C(Cl)CNS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC000823882919 607617851 /nfs/dbraw/zinc/61/78/51/607617851.db2.gz GDWJSYBNGJTWLC-UHFFFAOYSA-N -1 3 313.770 1.206 20 30 DDEDHM CN(C(=O)[O-])[C@@H]1CCN(CCC(=O)Nc2sccc2C#N)C1 ZINC000827889781 603801440 /nfs/dbraw/zinc/80/14/40/603801440.db2.gz LLMAKIZHZUFZFB-LLVKDONJSA-N -1 3 322.390 1.632 20 30 DDEDHM Cn1cc(C#N)cc1C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000822665787 606220502 /nfs/dbraw/zinc/22/05/02/606220502.db2.gz YITUURQERINWEI-UHFFFAOYSA-N -1 3 307.317 1.007 20 30 DDEDHM Cn1cc(C#N)cc1C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000822665787 606220504 /nfs/dbraw/zinc/22/05/04/606220504.db2.gz YITUURQERINWEI-UHFFFAOYSA-N -1 3 307.317 1.007 20 30 DDEDHM N#Cc1ccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cn1 ZINC000822823606 606268827 /nfs/dbraw/zinc/26/88/27/606268827.db2.gz UEONUEMDXIUXQY-UHFFFAOYSA-N -1 3 309.264 1.525 20 30 DDEDHM N#Cc1ccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cn1 ZINC000822823606 606268828 /nfs/dbraw/zinc/26/88/28/606268828.db2.gz UEONUEMDXIUXQY-UHFFFAOYSA-N -1 3 309.264 1.525 20 30 DDEDHM C=CC[C@H](C)N[C@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC000819734998 606305588 /nfs/dbraw/zinc/30/55/88/606305588.db2.gz YLNBYJVUWHCWOP-GWCFXTLKSA-N -1 3 301.350 1.635 20 30 DDEDHM C=CC[C@H](C)N[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC000819734998 606305590 /nfs/dbraw/zinc/30/55/90/606305590.db2.gz YLNBYJVUWHCWOP-GWCFXTLKSA-N -1 3 301.350 1.635 20 30 DDEDHM COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C[C@H](C)C#N ZINC000821650132 606317585 /nfs/dbraw/zinc/31/75/85/606317585.db2.gz KTGUNDKHWUNODS-MFKMUULPSA-N -1 3 314.349 1.172 20 30 DDEDHM COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C[C@H](C)C#N ZINC000821650132 606317587 /nfs/dbraw/zinc/31/75/87/606317587.db2.gz KTGUNDKHWUNODS-MFKMUULPSA-N -1 3 314.349 1.172 20 30 DDEDHM N#Cc1cccc(CC(=O)Nc2ccccc2-c2nnn[n-]2)c1 ZINC000822837669 606489694 /nfs/dbraw/zinc/48/96/94/606489694.db2.gz QWUGOCYZEAOGGM-UHFFFAOYSA-N -1 3 304.313 1.920 20 30 DDEDHM N#Cc1cccc(CC(=O)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000822837669 606489696 /nfs/dbraw/zinc/48/96/96/606489696.db2.gz QWUGOCYZEAOGGM-UHFFFAOYSA-N -1 3 304.313 1.920 20 30 DDEDHM CC[C@@H]1CC[C@@H](C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)O1 ZINC000820973637 606849778 /nfs/dbraw/zinc/84/97/78/606849778.db2.gz YRSFQGRPDMYICI-YPMHNXCESA-N -1 3 312.333 1.634 20 30 DDEDHM CC[C@@H]1CC[C@@H](C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)O1 ZINC000820973637 606849779 /nfs/dbraw/zinc/84/97/79/606849779.db2.gz YRSFQGRPDMYICI-YPMHNXCESA-N -1 3 312.333 1.634 20 30 DDEDHM CCN(CCC#N)Cc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000825419152 607923494 /nfs/dbraw/zinc/92/34/94/607923494.db2.gz IYRBTWRGOLRCCM-UHFFFAOYSA-N -1 3 314.349 1.389 20 30 DDEDHM CCN(CCC#N)Cc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000825419152 607923495 /nfs/dbraw/zinc/92/34/95/607923495.db2.gz IYRBTWRGOLRCCM-UHFFFAOYSA-N -1 3 314.349 1.389 20 30 DDEDHM C#Cc1ccc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cn1 ZINC000823861271 608445954 /nfs/dbraw/zinc/44/59/54/608445954.db2.gz CBLCUDVYNRGIFO-UHFFFAOYSA-N -1 3 323.287 1.739 20 30 DDEDHM C#Cc1ccc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cn1 ZINC000823861271 608445956 /nfs/dbraw/zinc/44/59/56/608445956.db2.gz CBLCUDVYNRGIFO-UHFFFAOYSA-N -1 3 323.287 1.739 20 30 DDEDHM C[C@]1(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)CCCOC1 ZINC000824784708 609281839 /nfs/dbraw/zinc/28/18/39/609281839.db2.gz ZOKWBIYDHPSQAR-HNNXBMFYSA-N -1 3 312.333 1.494 20 30 DDEDHM C[C@]1(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CCCOC1 ZINC000824784708 609281842 /nfs/dbraw/zinc/28/18/42/609281842.db2.gz ZOKWBIYDHPSQAR-HNNXBMFYSA-N -1 3 312.333 1.494 20 30 DDEDHM C#C[C@@H](C)[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000798455798 700067664 /nfs/dbraw/zinc/06/76/64/700067664.db2.gz AYGDEVQLKUNPLE-SSDOTTSWSA-N -1 3 306.156 1.888 20 30 DDEDHM C=CCNC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000105592747 696623600 /nfs/dbraw/zinc/62/36/00/696623600.db2.gz JNQMFUGIKVNHTN-UHFFFAOYSA-N -1 3 316.329 1.321 20 30 DDEDHM N#C[C@@]1(NC(=O)c2nnc3ccccc3c2[O-])CCSC1 ZINC000111566252 696644733 /nfs/dbraw/zinc/64/47/33/696644733.db2.gz LHZGFODXGZNXJG-AWEZNQCLSA-N -1 3 300.343 1.052 20 30 DDEDHM O=C(C#Cc1ccc2c(c1)OCO2)NCc1ccc([O-])c(F)c1 ZINC000136295912 696853889 /nfs/dbraw/zinc/85/38/89/696853889.db2.gz CZMFWXRMCOTQRJ-UHFFFAOYSA-N -1 3 313.284 1.928 20 30 DDEDHM C#C[C@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000167026152 697341960 /nfs/dbraw/zinc/34/19/60/697341960.db2.gz XMHRYBSDPAOPKV-ZETCQYMHSA-N -1 3 306.156 1.888 20 30 DDEDHM C[C@H]1C[C@H](NCC#N)CN1C(=O)c1nnc2ccccc2c1[O-] ZINC000989512135 698651959 /nfs/dbraw/zinc/65/19/59/698651959.db2.gz YAHMABJMFALRES-QWRGUYRKSA-N -1 3 311.345 1.052 20 30 DDEDHM C=C(C)[C@H]1OCC[C@H]1C(=O)OCCC[N-]C(=O)C(F)(F)F ZINC000785282259 699063827 /nfs/dbraw/zinc/06/38/27/699063827.db2.gz NGFNWPKLIPRLSU-NXEZZACHSA-N -1 3 309.284 1.579 20 30 DDEDHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]CCC#N ZINC000487359110 699200245 /nfs/dbraw/zinc/20/02/45/699200245.db2.gz CZFDDNOLMCJFRT-UHFFFAOYSA-N -1 3 324.383 1.880 20 30 DDEDHM C=CCOCC(=O)Oc1ccc(-c2nnn[n-]2)cc1OCC ZINC000735437675 699694319 /nfs/dbraw/zinc/69/43/19/699694319.db2.gz OJPSDJHKRLPVEU-UHFFFAOYSA-N -1 3 304.306 1.373 20 30 DDEDHM C=CCOCC(=O)Oc1ccc(-c2nn[n-]n2)cc1OCC ZINC000735437675 699694321 /nfs/dbraw/zinc/69/43/21/699694321.db2.gz OJPSDJHKRLPVEU-UHFFFAOYSA-N -1 3 304.306 1.373 20 30 DDEDHM COc1ccc(NC(=O)[C@H](C)n2ccc(C=N[O-])nc2=O)cc1 ZINC000736301996 699722951 /nfs/dbraw/zinc/72/29/51/699722951.db2.gz FSUZCRHOLVQRKG-JTQLQIEISA-N -1 3 316.317 1.260 20 30 DDEDHM C=C(Cl)C[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000736345449 699724185 /nfs/dbraw/zinc/72/41/85/699724185.db2.gz PJBWPUISEZRCMX-UHFFFAOYSA-N -1 3 309.796 1.121 20 30 DDEDHM C=C(Cl)C[N-]S(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1 ZINC000736342704 699724261 /nfs/dbraw/zinc/72/42/61/699724261.db2.gz YFIJHDMRGXQYPT-MRVPVSSYSA-N -1 3 322.839 1.976 20 30 DDEDHM CC(=NNCC(F)F)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000740618206 699796114 /nfs/dbraw/zinc/79/61/14/699796114.db2.gz UYSKCSNOQQOJNR-UHFFFAOYSA-N -1 3 313.348 1.803 20 30 DDEDHM CCCCNC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742466761 699879541 /nfs/dbraw/zinc/87/95/41/699879541.db2.gz YFYUSHMULSRSKW-NSHDSACASA-N -1 3 323.418 1.420 20 30 DDEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1CCCc2n[nH]cc21 ZINC000814815904 701754625 /nfs/dbraw/zinc/75/46/25/701754625.db2.gz FPDAXKARCAWGJG-UHFFFAOYSA-N -1 3 304.375 1.570 20 30 DDEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1nnc2ccccc2n1 ZINC000810536433 701785920 /nfs/dbraw/zinc/78/59/20/701785920.db2.gz QPEGPNBSVVHRDW-SNVBAGLBSA-N -1 3 318.296 1.381 20 30 DDEDHM O=C(Nc1nc2c(s1)CCCC2)N[C@H]1CCCN([O-])C1=O ZINC000866107658 706619628 /nfs/dbraw/zinc/61/96/28/706619628.db2.gz BFXNPBOTCINILU-VIFPVBQESA-N -1 3 310.379 1.524 20 30 DDEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@@]1(F)CCOC1 ZINC000810926946 701875947 /nfs/dbraw/zinc/87/59/47/701875947.db2.gz SORYIAWZDJPMIN-MRXNPFEDSA-N -1 3 322.336 1.880 20 30 DDEDHM C=CCC1(S(=O)(=O)[N-]C(=O)[C@H](CC)N(CC)CC)CC1 ZINC000810983081 701888786 /nfs/dbraw/zinc/88/87/86/701888786.db2.gz GUKPXNKJMOKILU-LBPRGKRZSA-N -1 3 302.440 1.662 20 30 DDEDHM N#Cc1cc([O-])cc(C(=O)OC[C@H]2CC3(CCC3)C(=O)O2)c1 ZINC000811184219 701931031 /nfs/dbraw/zinc/93/10/31/701931031.db2.gz JHQJFMRQGGNOEN-CYBMUJFWSA-N -1 3 301.298 1.906 20 30 DDEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)N1CCCCC1 ZINC000811187461 701931838 /nfs/dbraw/zinc/93/18/38/701931838.db2.gz RPWDYUFFQZLCMG-NSHDSACASA-N -1 3 302.330 1.822 20 30 DDEDHM C#CCC(C)(C)C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000816611456 702125453 /nfs/dbraw/zinc/12/54/53/702125453.db2.gz QJVTWKLWXIEOGG-VXGBXAGGSA-N -1 3 317.389 1.916 20 30 DDEDHM Cc1c(C(=O)N[C@H]2CCN([O-])C2=O)cnn1-c1ccccc1F ZINC000816691610 702151231 /nfs/dbraw/zinc/15/12/31/702151231.db2.gz VKKCOZINEMTSIH-LBPRGKRZSA-N -1 3 318.308 1.040 20 30 DDEDHM O=C(N[C@H]1CCN([O-])C1=O)c1cnc(Cc2ccccc2)s1 ZINC000816691530 702151570 /nfs/dbraw/zinc/15/15/70/702151570.db2.gz SWDXOXXLPPBQNE-NSHDSACASA-N -1 3 317.370 1.454 20 30 DDEDHM CCCCN(C)c1ccc(C(=O)N[C@H]2CCN([O-])C2=O)cc1 ZINC000816693818 702153589 /nfs/dbraw/zinc/15/35/89/702153589.db2.gz SXZGAGCXJRNWRC-AWEZNQCLSA-N -1 3 305.378 1.643 20 30 DDEDHM Cc1sc(-c2ccco2)nc1C(=O)N[C@H]1CCN([O-])C1=O ZINC000816697241 702157724 /nfs/dbraw/zinc/15/77/24/702157724.db2.gz VDFZQUGYXZEZQB-QMMMGPOBSA-N -1 3 307.331 1.431 20 30 DDEDHM Cc1cc(C(=O)N[C@H]2CCCN([O-])C2=O)c(Cl)cc1F ZINC000816758844 702185466 /nfs/dbraw/zinc/18/54/66/702185466.db2.gz YUCARHQZTBCSSO-NSHDSACASA-N -1 3 300.717 1.898 20 30 DDEDHM Cc1ncc(CO)c(/C=N/[C@H](C(=O)OC(C)C)C(C)C)c1[O-] ZINC000840708929 702217429 /nfs/dbraw/zinc/21/74/29/702217429.db2.gz JRBNYNTWNDPQLQ-AVWXOPBPSA-N -1 3 308.378 1.983 20 30 DDEDHM C#CCO[N-]C(=O)CCCC(=O)c1ccc2c(c1)OCCO2 ZINC000812786986 702238110 /nfs/dbraw/zinc/23/81/10/702238110.db2.gz XUPUMOGLKHXMEK-UHFFFAOYSA-N -1 3 303.314 1.492 20 30 DDEDHM CCn1nncc1/C=C/C(=O)c1cc(OC)c([O-])cc1OC ZINC000841486388 702464621 /nfs/dbraw/zinc/46/46/21/702464621.db2.gz WOBTUXKPQIXIGR-AATRIKPKSA-N -1 3 303.318 1.917 20 30 DDEDHM CC(=O)N[C@@H](C(C)=NN=c1cc[n-]n1C)c1ccccc1F ZINC000841632630 702514424 /nfs/dbraw/zinc/51/44/24/702514424.db2.gz DRLWCRARZNIBRC-HNNXBMFYSA-N -1 3 303.341 1.646 20 30 DDEDHM CCc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000848133330 703511664 /nfs/dbraw/zinc/51/16/64/703511664.db2.gz XFKXHAVBXVNBQX-ZNMIVQPWSA-N -1 3 302.374 1.849 20 30 DDEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ncoc1-c1ccc(F)cc1 ZINC000848134008 703512213 /nfs/dbraw/zinc/51/22/13/703512213.db2.gz LUMKDVLPXZYRRA-LLVKDONJSA-N -1 3 319.292 1.591 20 30 DDEDHM O=C(CCCn1cnc2ccccc21)N[C@@H]1CCCN([O-])C1=O ZINC000848139401 703514180 /nfs/dbraw/zinc/51/41/80/703514180.db2.gz VJBFFQJPGUKEJO-CYBMUJFWSA-N -1 3 316.361 1.313 20 30 DDEDHM CCc1ccc(-c2cc(C(=O)N[C@@H]3CCN([O-])C3=O)no2)cc1 ZINC000820120376 704223955 /nfs/dbraw/zinc/22/39/55/704223955.db2.gz NDJYDNLDTGTSPT-GFCCVEGCSA-N -1 3 315.329 1.624 20 30 DDEDHM O=C(/C=C\c1ccsc1C(F)(F)F)N[C@@H]1CCN([O-])C1=O ZINC000820127696 704225570 /nfs/dbraw/zinc/22/55/70/704225570.db2.gz OZTIQUWPMDGQAC-SLYZXXNYSA-N -1 3 320.292 1.886 20 30 DDEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1cc(F)c(C(F)(F)F)c(F)c1 ZINC000820143038 704228889 /nfs/dbraw/zinc/22/88/89/704228889.db2.gz BMIXSRZZHPFKCS-MRVPVSSYSA-N -1 3 324.205 1.704 20 30 DDEDHM CCc1c(C(=O)N[C@H]2CCN([O-])C2=O)cnn1C1CCCC1 ZINC000820143509 704229294 /nfs/dbraw/zinc/22/92/94/704229294.db2.gz KAQQEYZAVCRALD-LBPRGKRZSA-N -1 3 306.366 1.281 20 30 DDEDHM O=C(Cc1c[nH]c2cc(Cl)ccc12)N[C@@H]1CCN([O-])C1=O ZINC000820157340 704232147 /nfs/dbraw/zinc/23/21/47/704232147.db2.gz VZZBBFWOFIPZJO-LLVKDONJSA-N -1 3 307.737 1.470 20 30 DDEDHM Cc1ccc(C(C)C)c(OCC(=O)N[C@H]2CCCN([O-])C2=O)c1 ZINC000820482944 704288290 /nfs/dbraw/zinc/28/82/90/704288290.db2.gz UXYOJSXBATYMSL-AWEZNQCLSA-N -1 3 320.389 1.994 20 30 DDEDHM C[C@@H](NC(=O)C#CC(C)(C)C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000854452874 704399799 /nfs/dbraw/zinc/39/97/99/704399799.db2.gz AXQWKBIJSKRRLS-NWDGAFQWSA-N -1 3 317.389 1.916 20 30 DDEDHM Cc1ccc([C@@H]2C[C@H]2C(=O)N[C@H]2CCCN([O-])C2=O)cc1C ZINC000854649454 704433781 /nfs/dbraw/zinc/43/37/81/704433781.db2.gz ZHJMSYKTIGYFEE-ZNMIVQPWSA-N -1 3 302.374 1.903 20 30 DDEDHM C#C[C@@](C)(CC)NC(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000854700426 704441830 /nfs/dbraw/zinc/44/18/30/704441830.db2.gz SHUSVHMFZSIUEW-KRWDZBQOSA-N -1 3 302.374 1.739 20 30 DDEDHM C=CCCO[N-]C(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000856031755 704510296 /nfs/dbraw/zinc/51/02/96/704510296.db2.gz AJZZMAPRGKJIDE-AWEZNQCLSA-N -1 3 303.362 1.558 20 30 DDEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cn(C)nc1Br ZINC000867224826 706929894 /nfs/dbraw/zinc/92/98/94/706929894.db2.gz DUHQKFZRHGECEN-QMMMGPOBSA-N -1 3 322.228 1.816 20 30 DDEDHM C#C[C@@](C)(CC)[N-]S(=O)(=O)c1cc(C(=O)OC)cs1 ZINC000867320927 706960128 /nfs/dbraw/zinc/96/01/28/706960128.db2.gz DHBAQODRNDIHTG-LBPRGKRZSA-N -1 3 301.389 1.615 20 30 DDEDHM C#C[C@@](C)(CC)[N-]S(=O)(=O)c1ccc(C(=O)OC)s1 ZINC000867321370 706960246 /nfs/dbraw/zinc/96/02/46/706960246.db2.gz YIVHHOHKSNLECO-LBPRGKRZSA-N -1 3 301.389 1.615 20 30 DDEDHM N#Cc1cccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822837558 705055161 /nfs/dbraw/zinc/05/51/61/705055161.db2.gz NXGOQGJLPVOJCV-UHFFFAOYSA-N -1 3 303.329 1.862 20 30 DDEDHM N#Cc1cccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822837558 705055165 /nfs/dbraw/zinc/05/51/65/705055165.db2.gz NXGOQGJLPVOJCV-UHFFFAOYSA-N -1 3 303.329 1.862 20 30 DDEDHM CCCCC[C@H](C)NC(=O)Cn1cnc(C#N)c1-c1nnn[n-]1 ZINC000825265858 705635777 /nfs/dbraw/zinc/63/57/77/705635777.db2.gz BVKNMRLBNUATDQ-JTQLQIEISA-N -1 3 316.369 1.020 20 30 DDEDHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)c1c[nH]c(C#N)c1 ZINC000825609257 705702499 /nfs/dbraw/zinc/70/24/99/705702499.db2.gz IVMKQECXMGBYDI-UHFFFAOYSA-N -1 3 324.300 1.684 20 30 DDEDHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)c1c[nH]c(C#N)c1 ZINC000825609257 705702500 /nfs/dbraw/zinc/70/25/00/705702500.db2.gz IVMKQECXMGBYDI-UHFFFAOYSA-N -1 3 324.300 1.684 20 30 DDEDHM O=S1(=O)CCC[C@H](NN=Cc2c([O-])cccc2Cl)C1 ZINC000863132129 705866198 /nfs/dbraw/zinc/86/61/98/705866198.db2.gz AZNDVFHCWYKGCS-VIFPVBQESA-N -1 3 302.783 1.546 20 30 DDEDHM C=C(Cl)C[C@H](N)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000864608743 706210907 /nfs/dbraw/zinc/21/09/07/706210907.db2.gz SROGXVAGPCQKJK-BJDJZHNGSA-N -1 3 300.786 1.701 20 30 DDEDHM C=CCOCC[N-]S(=O)(=O)c1cccc(Br)n1 ZINC000872470584 707430529 /nfs/dbraw/zinc/43/05/29/707430529.db2.gz HVZFHJRMOYCAQP-UHFFFAOYSA-N -1 3 321.196 1.325 20 30 DDEDHM O=C(Nc1ccc2c(c1)CCCO2)N[C@@H]1CCCN([O-])C1=O ZINC000878537654 706420459 /nfs/dbraw/zinc/42/04/59/706420459.db2.gz GTFYPWFAECPCQE-GFCCVEGCSA-N -1 3 305.334 1.513 20 30 DDEDHM CC[C@@H](C)n1nc(NC(=O)N[C@@H]2CCCN([O-])C2=O)cc1C ZINC000879113243 706590599 /nfs/dbraw/zinc/59/05/99/706590599.db2.gz YAUBLYDRSCENAI-MWLCHTKSSA-N -1 3 309.370 1.664 20 30 DDEDHM C=CCO[N-]C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000837043655 707569918 /nfs/dbraw/zinc/56/99/18/707569918.db2.gz RNLHCDUEPKVBEI-UHFFFAOYSA-N -1 3 324.402 1.294 20 30 DDEDHM C=C(C)C[C@@H](CO)[N-]S(=O)(=O)c1cc(C(=O)OC)cs1 ZINC000882849814 707818893 /nfs/dbraw/zinc/81/88/93/707818893.db2.gz UBZKNILXEBMJBI-JTQLQIEISA-N -1 3 319.404 1.140 20 30 DDEDHM C#CC[C@H](NCc1cc(Br)ccc1[O-])C(=O)OC ZINC000839166583 708032410 /nfs/dbraw/zinc/03/24/10/708032410.db2.gz OTXIQIJGOXCZIO-NSHDSACASA-N -1 3 312.163 1.809 20 30 DDEDHM N#C[C@@]1(C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)CC12CCCC2 ZINC000898221933 708578448 /nfs/dbraw/zinc/57/84/48/708578448.db2.gz QIBWLCYKFZWPNR-MEDUHNTESA-N -1 3 300.362 1.905 20 30 DDEDHM C#C[C@@H](NC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1)C(C)(C)C ZINC000898811608 708876755 /nfs/dbraw/zinc/87/67/55/708876755.db2.gz HUHPLRRHBCWATE-NWDGAFQWSA-N -1 3 317.393 1.108 20 30 DDEDHM Cc1ncc(CO)c(/C=N/C[C@@H]2CC[C@]3(CO[C@H](C)C3)O2)c1[O-] ZINC000887271880 709003845 /nfs/dbraw/zinc/00/38/45/709003845.db2.gz AXGWHSGXUKIHBJ-ZNXIWKERSA-N -1 3 320.389 1.733 20 30 DDEDHM C=C1CCC(C(=O)N2CCN(c3nc(C)cc(=O)[n-]3)CC2)CC1 ZINC000899492021 709098330 /nfs/dbraw/zinc/09/83/30/709098330.db2.gz CHXXVFCURQSZDS-UHFFFAOYSA-N -1 3 316.405 1.886 20 30 DDEDHM C=CCC1(C(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)CCC1 ZINC000890536247 709911313 /nfs/dbraw/zinc/91/13/13/709911313.db2.gz XVAVIYCULMFVSR-GFCCVEGCSA-N -1 3 302.378 1.624 20 30 DDEDHM CC1(C)C[C@H]([N-]C(=O)C(F)(F)c2ccccc2C#N)C(=O)O1 ZINC000901184806 709959959 /nfs/dbraw/zinc/95/99/59/709959959.db2.gz GZRVAQJGDZCINP-NSHDSACASA-N -1 3 308.284 1.860 20 30 DDEDHM O=C(C[C@@H]1CCS(=O)(=O)C1)N([O-])Cc1ccc(F)cc1 ZINC000901376559 710026780 /nfs/dbraw/zinc/02/67/80/710026780.db2.gz WAFRVPVCSWOOIP-NSHDSACASA-N -1 3 301.339 1.368 20 30 DDEDHM C#CCCCCCCN(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000901625217 710100735 /nfs/dbraw/zinc/10/07/35/710100735.db2.gz CWTJISGDSMFFBY-OAHLLOKOSA-N -1 3 308.422 1.825 20 30 DDEDHM COCCN1C[C@@H](C(=O)N([O-])Cc2ccc(F)cc2)CC1=O ZINC000904174854 711401362 /nfs/dbraw/zinc/40/13/62/711401362.db2.gz KPEIIINVJYRCHE-LBPRGKRZSA-N -1 3 310.325 1.038 20 30 DDEDHM O=C(c1cn(C2CCOCC2)nn1)N([O-])Cc1ccc(F)cc1 ZINC000904177809 711401826 /nfs/dbraw/zinc/40/18/26/711401826.db2.gz ONGGTSSDLUFRHV-UHFFFAOYSA-N -1 3 320.324 1.800 20 30 DDEDHM CCCCCCN([O-])C(=O)CN1C(=O)NC(CC)(CC)C1=O ZINC000904205190 711408545 /nfs/dbraw/zinc/40/85/45/711408545.db2.gz AKIVBRBYWLILCE-UHFFFAOYSA-N -1 3 313.398 1.895 20 30 DDEDHM CCCCN([O-])C(=O)CCNC(=O)c1[nH]nc2ccccc21 ZINC000904209930 711409906 /nfs/dbraw/zinc/40/99/06/711409906.db2.gz ARWIYPYYGXCYPS-UHFFFAOYSA-N -1 3 304.350 1.701 20 30 DDEDHM CCCCN([O-])C(=O)CN(CCOC)C(=O)OC(C)(C)C ZINC000904210674 711410576 /nfs/dbraw/zinc/41/05/76/711410576.db2.gz WUQKMRGVJHLSPQ-UHFFFAOYSA-N -1 3 304.387 1.888 20 30 DDEDHM Cc1nn(-c2cccc(F)c2)cc1CN[C@@H]1CCCN([O-])C1=O ZINC000895159750 711436739 /nfs/dbraw/zinc/43/67/39/711436739.db2.gz YBASHUYJWQGRTL-OAHLLOKOSA-N -1 3 318.352 1.790 20 30 DDEDHM Cc1cc(=O)[n-]c(N2CCN(c3ccc(C#N)cc3C)CC2)n1 ZINC000895223987 711456919 /nfs/dbraw/zinc/45/69/19/711456919.db2.gz CYBPWBUHDYUGNZ-UHFFFAOYSA-N -1 3 309.373 1.997 20 30 DDEDHM Cc1ncc(CO)c(/C=N/CC2(C3(O)CCOCC3)CC2)c1[O-] ZINC000905002529 711908681 /nfs/dbraw/zinc/90/86/81/711908681.db2.gz JKJHFDHWOXNZDD-GIJQJNRQSA-N -1 3 320.389 1.329 20 30 DDEDHM CO[C@]1(C/N=C/c2cc(Cl)ccc2[O-])CCS(=O)(=O)C1 ZINC000905003603 711908731 /nfs/dbraw/zinc/90/87/31/711908731.db2.gz UWFOXHQMJDENDF-FEZXJWFHSA-N -1 3 317.794 1.668 20 30 DDEDHM C[C@]1(CC[N-]S(=O)(=O)c2ccc(C#N)cn2)C[C@]1(F)Cl ZINC000907265158 712527408 /nfs/dbraw/zinc/52/74/08/712527408.db2.gz FLPGMXNQZNFQJX-NWDGAFQWSA-N -1 3 317.773 1.936 20 30 DDEDHM Cc1ncc(CO)c(C=NNc2ccc([N+](=O)[O-])cc2)c1[O-] ZINC000916245037 713448335 /nfs/dbraw/zinc/44/83/35/713448335.db2.gz PPCKQMNTQGHUAU-UHFFFAOYSA-N -1 3 302.290 1.942 20 30 DDEDHM C=CCCC[C@H](NC(=O)N[C@H](C)C1=CCN(C)CC1)C(=O)[O-] ZINC000929053501 713539606 /nfs/dbraw/zinc/53/96/06/713539606.db2.gz XTAVZYCRETVNMG-OCCSQVGLSA-N -1 3 309.410 1.746 20 30 DDEDHM C=CCN1CC[C@@H](N(C)C[C@@H](C)C(=O)c2ccc([O-])cc2)C1=O ZINC000930310161 713799788 /nfs/dbraw/zinc/79/97/88/713799788.db2.gz BYUJMJATBCDGTA-CZUORRHYSA-N -1 3 316.401 1.930 20 30 DDEDHM CCc1cc(=O)[n-]c(CN2CCC3(CC2)CC(=O)C=CO3)n1 ZINC000933649669 714638634 /nfs/dbraw/zinc/63/86/34/714638634.db2.gz QIYYXKPSOFSQPW-UHFFFAOYSA-N -1 3 303.362 1.582 20 30 DDEDHM C=C[C@](C)(CC)C(=O)N1CC(N(C)C(=O)c2cnc[n-]c2=O)C1 ZINC000954578867 715424071 /nfs/dbraw/zinc/42/40/71/715424071.db2.gz ALQQJMAOVZDKFV-MRXNPFEDSA-N -1 3 318.377 1.067 20 30 DDEDHM C#CCN1CC[C@@H](C)[C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000967272718 718809196 /nfs/dbraw/zinc/80/91/96/718809196.db2.gz DOCVAHVHAPYSLM-DYVFJYSZSA-N -1 3 323.396 1.602 20 30 DDEDHM C=CC(C)(C)C(=O)N1CCC(NC(=O)c2cnc[n-]c2=O)CC1 ZINC000947712605 719250750 /nfs/dbraw/zinc/25/07/50/719250750.db2.gz JSABLWLTNXDDFE-UHFFFAOYSA-N -1 3 318.377 1.115 20 30 DDEDHM C=CC(C)(C)C(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@@H](CC)C1 ZINC000948499428 719525702 /nfs/dbraw/zinc/52/57/02/719525702.db2.gz WKDMPXVWIQPVCJ-RYUDHWBXSA-N -1 3 319.409 1.374 20 30 DDEDHM N#Cc1cnc(N[C@H]2CCN(C(=O)c3ccccc3[O-])C2)cn1 ZINC001058832306 738824497 /nfs/dbraw/zinc/82/44/97/738824497.db2.gz IGYMRQQUOPNHNE-NSHDSACASA-N -1 3 309.329 1.380 20 30 DDEDHM C=C1CC(C)(C(=O)N2CCC[C@@H](CNCc3n[nH]c(=O)[n-]3)C2)C1 ZINC001024146186 735671327 /nfs/dbraw/zinc/67/13/27/735671327.db2.gz PFSCHMXMXUNHCK-LBPRGKRZSA-N -1 3 319.409 1.195 20 30 DDEDHM C=C(Cl)CN1CCC[C@@H]([C@@H](C)NC(=O)c2cnc[n-]c2=O)C1 ZINC001025452583 736681472 /nfs/dbraw/zinc/68/14/72/736681472.db2.gz MKWAAGZRPCMLHW-VXGBXAGGSA-N -1 3 324.812 1.765 20 30 DDEDHM CCOC(=O)c1ncc(NC(=O)c2cccc(C#N)c2F)[n-]1 ZINC001190536256 745244437 /nfs/dbraw/zinc/24/44/37/745244437.db2.gz MTFJFWXHDGFVBR-UHFFFAOYSA-N -1 3 302.265 1.849 20 30 DDEDHM CCOC(=O)c1nc(NC(=O)c2cccc(C#N)c2F)c[n-]1 ZINC001190536256 745244441 /nfs/dbraw/zinc/24/44/41/745244441.db2.gz MTFJFWXHDGFVBR-UHFFFAOYSA-N -1 3 302.265 1.849 20 30 DDEDHM Cc1ncc([N-]S(=O)(=O)c2cc(C#N)ccc2F)c(=O)[nH]1 ZINC001190619392 745260343 /nfs/dbraw/zinc/26/03/43/745260343.db2.gz KBXHDXQVBJZIFW-UHFFFAOYSA-N -1 3 308.294 1.302 20 30 DDEDHM Cc1ncc(NS(=O)(=O)c2cc(C#N)ccc2F)c(=O)[n-]1 ZINC001190619392 745260346 /nfs/dbraw/zinc/26/03/46/745260346.db2.gz KBXHDXQVBJZIFW-UHFFFAOYSA-N -1 3 308.294 1.302 20 30 DDEDHM C[C@@]1(O)CC[C@@H]([N-]S(=O)(=O)c2cc(C#N)ccc2F)CC1 ZINC001190658314 745273273 /nfs/dbraw/zinc/27/32/73/745273273.db2.gz SLWWVHHGMIXDDR-YEORSEQZSA-N -1 3 312.366 1.669 20 30 DDEDHM CC(C)(CO)CCC[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190663441 745275287 /nfs/dbraw/zinc/27/52/87/745275287.db2.gz VSACZXFYMNIWBQ-UHFFFAOYSA-N -1 3 314.382 1.774 20 30 DDEDHM COC(=O)C1([N-]S(=O)(=O)c2cc(C#N)ccc2F)CCC1 ZINC001190662813 745275344 /nfs/dbraw/zinc/27/53/44/745275344.db2.gz QACNPDXCZHZDAX-UHFFFAOYSA-N -1 3 312.322 1.071 20 30 DDEDHM C[C@@H](CCNc1ccncc1C#N)NC(=O)c1ccccc1[O-] ZINC001106228853 745429070 /nfs/dbraw/zinc/42/90/70/745429070.db2.gz XQXFOQDCCBRXHQ-LBPRGKRZSA-N -1 3 310.357 1.701 20 30 DDEDHM Cc1nc(NC(=O)c2ccc(C#CC(C)(C)O)cc2)cc(=O)[n-]1 ZINC001191159947 745439287 /nfs/dbraw/zinc/43/92/87/745439287.db2.gz GXXZWXMPLYIWLX-UHFFFAOYSA-N -1 3 311.341 1.865 20 30 DDEDHM C=CCN1CCC[C@H]1C[N-]S(=O)(=O)c1cnccc1Cl ZINC001192922769 745935579 /nfs/dbraw/zinc/93/55/79/745935579.db2.gz OPJUMBIMIWOHTC-NSHDSACASA-N -1 3 315.826 1.664 20 30 DDEDHM CCOC(=O)CCc1ccc([N-]S(=O)(=O)[C@H](C)C#N)cc1 ZINC001193157363 746001039 /nfs/dbraw/zinc/00/10/39/746001039.db2.gz CWBKLNPFXFDYGS-LLVKDONJSA-N -1 3 310.375 1.836 20 30 DDEDHM C=C(Cl)CN1CCC[C@H](NC(=O)c2c(C)nc[n-]c2=O)[C@@H]1C ZINC000993717764 746285841 /nfs/dbraw/zinc/28/58/41/746285841.db2.gz IDGWPDFQGXSEKE-RYUDHWBXSA-N -1 3 324.812 1.826 20 30 DDEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CCCC(F)F ZINC001194614685 746426536 /nfs/dbraw/zinc/42/65/36/746426536.db2.gz VBWQSXOZBXLLLW-UHFFFAOYSA-N -1 3 319.289 1.790 20 30 DDEDHM Cc1noc([N-]C(=O)c2cnc(-c3cnccn3)nc2)c1C#N ZINC001199284961 747774524 /nfs/dbraw/zinc/77/45/24/747774524.db2.gz CCJVLUUNLQWNLJ-UHFFFAOYSA-N -1 3 307.273 1.354 20 30 DDEDHM C#CCCCCCC(=O)N1CCC(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001202004895 748657560 /nfs/dbraw/zinc/65/75/60/748657560.db2.gz QXGUGSGABIUQKB-UHFFFAOYSA-N -1 3 319.409 1.175 20 30 DDEDHM C[C@H](CCNC(=O)c1ccccc1[O-])Nc1ccncc1C#N ZINC001098837939 750608301 /nfs/dbraw/zinc/60/83/01/750608301.db2.gz MVEWWCREFCMBLA-GFCCVEGCSA-N -1 3 310.357 1.701 20 30 DDEDHM C=C(C)CCN1C[C@H]2OCCN(C(=O)c3ncccc3[O-])[C@H]2C1 ZINC001083059682 757109983 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N#Cc1ccc(C(=O)OCCOc2ccc(-c3nn[n-]n3)cc2)[nH]1 ZINC000826384981 607778076 /nfs/dbraw/zinc/77/80/76/607778076.db2.gz SBCPHVZUQABZSA-UHFFFAOYSA-N -1 3 324.300 1.302 20 30 DDEDHM C#CCOCCC(=O)Nc1sc(C)c(CC)c1-c1nnn[n-]1 ZINC000823856826 607925893 /nfs/dbraw/zinc/92/58/93/607925893.db2.gz ZUPABCZJVSGBOO-UHFFFAOYSA-N -1 3 319.390 1.777 20 30 DDEDHM C#CCOCCC(=O)Nc1sc(C)c(CC)c1-c1nn[n-]n1 ZINC000823856826 607925894 /nfs/dbraw/zinc/92/58/94/607925894.db2.gz ZUPABCZJVSGBOO-UHFFFAOYSA-N -1 3 319.390 1.777 20 30 DDEDHM C#CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC000823838616 607956306 /nfs/dbraw/zinc/95/63/06/607956306.db2.gz RZBJTIODCFFKFO-CQSZACIVSA-N -1 3 318.340 1.756 20 30 DDEDHM C#CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC000823838616 607956307 /nfs/dbraw/zinc/95/63/07/607956307.db2.gz RZBJTIODCFFKFO-CQSZACIVSA-N -1 3 318.340 1.756 20 30 DDEDHM CS[C@@H](C)CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000826225205 607962291 /nfs/dbraw/zinc/96/22/91/607962291.db2.gz 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3 312.322 1.041 20 30 DDEDHM CCOc1ccc(C#N)cc1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821418157 606317033 /nfs/dbraw/zinc/31/70/33/606317033.db2.gz XAEXXILMIJTOAV-UHFFFAOYSA-N -1 3 323.316 1.717 20 30 DDEDHM CCOc1ccc(C#N)cc1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821418157 606317035 /nfs/dbraw/zinc/31/70/35/606317035.db2.gz XAEXXILMIJTOAV-UHFFFAOYSA-N -1 3 323.316 1.717 20 30 DDEDHM N#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cn1)C1CCCCC1 ZINC000822801675 606363419 /nfs/dbraw/zinc/36/34/19/606363419.db2.gz MCLGPHYBMBCNHV-ZDUSSCGKSA-N -1 3 311.349 1.464 20 30 DDEDHM N#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cn1)C1CCCCC1 ZINC000822801675 606363422 /nfs/dbraw/zinc/36/34/22/606363422.db2.gz MCLGPHYBMBCNHV-ZDUSSCGKSA-N -1 3 311.349 1.464 20 30 DDEDHM Cc1cc([C@@H](C#N)C(=O)c2cc(-c3nnn[n-]3)cn2C)nc(C)n1 ZINC000822183947 606406242 /nfs/dbraw/zinc/40/62/42/606406242.db2.gz MMBIZUDGLANPPT-LLVKDONJSA-N -1 3 322.332 1.102 20 30 DDEDHM Cc1cc([C@@H](C#N)C(=O)c2cc(-c3nn[n-]n3)cn2C)nc(C)n1 ZINC000822183947 606406244 /nfs/dbraw/zinc/40/62/44/606406244.db2.gz MMBIZUDGLANPPT-LLVKDONJSA-N -1 3 322.332 1.102 20 30 DDEDHM CC(C)(C)[C@@H](C#N)NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000819898259 606433540 /nfs/dbraw/zinc/43/35/40/606433540.db2.gz DLAGLCAQBPPOAG-CYBMUJFWSA-N -1 3 312.377 1.854 20 30 DDEDHM CC(C)(C)[C@@H](C#N)NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000819898259 606433542 /nfs/dbraw/zinc/43/35/42/606433542.db2.gz DLAGLCAQBPPOAG-CYBMUJFWSA-N -1 3 312.377 1.854 20 30 DDEDHM COc1cc(-c2nnn[n-]2)ccc1OCCn1ccnc1C#N ZINC000821702175 606654878 /nfs/dbraw/zinc/65/48/78/606654878.db2.gz KKXHUTHKGAWNAN-UHFFFAOYSA-N -1 3 311.305 1.022 20 30 DDEDHM COc1cc(-c2nn[n-]n2)ccc1OCCn1ccnc1C#N ZINC000821702175 606654879 /nfs/dbraw/zinc/65/48/79/606654879.db2.gz KKXHUTHKGAWNAN-UHFFFAOYSA-N -1 3 311.305 1.022 20 30 DDEDHM CCN(C[C@H](C)C#N)C(=O)CNc1cccc(-c2nnn[n-]2)c1 ZINC000821169923 606707268 /nfs/dbraw/zinc/70/72/68/606707268.db2.gz IXCBXWOYMGVYTB-LLVKDONJSA-N -1 3 313.365 1.287 20 30 DDEDHM CCN(C[C@H](C)C#N)C(=O)CNc1cccc(-c2nn[n-]n2)c1 ZINC000821169923 606707270 /nfs/dbraw/zinc/70/72/70/606707270.db2.gz IXCBXWOYMGVYTB-LLVKDONJSA-N -1 3 313.365 1.287 20 30 DDEDHM C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000819729556 606814961 /nfs/dbraw/zinc/81/49/61/606814961.db2.gz JAEVMRDNAMYHMV-SSDOTTSWSA-N -1 3 320.740 1.149 20 30 DDEDHM C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000819729556 606814962 /nfs/dbraw/zinc/81/49/62/606814962.db2.gz JAEVMRDNAMYHMV-SSDOTTSWSA-N -1 3 320.740 1.149 20 30 DDEDHM CC(=O)CCCCSc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC000819783449 606819697 /nfs/dbraw/zinc/81/96/97/606819697.db2.gz XPXKGYCXSJFROQ-UHFFFAOYSA-N -1 3 317.378 1.567 20 30 DDEDHM CC(=O)CCCCSc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC000819783449 606819698 /nfs/dbraw/zinc/81/96/98/606819698.db2.gz XPXKGYCXSJFROQ-UHFFFAOYSA-N -1 3 317.378 1.567 20 30 DDEDHM C#Cc1ccc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)nc1 ZINC000819710197 606997676 /nfs/dbraw/zinc/99/76/76/606997676.db2.gz ZBVCMYCJEYKSDU-UHFFFAOYSA-N -1 3 323.287 1.739 20 30 DDEDHM C#Cc1ccc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)nc1 ZINC000819710197 606997677 /nfs/dbraw/zinc/99/76/77/606997677.db2.gz ZBVCMYCJEYKSDU-UHFFFAOYSA-N -1 3 323.287 1.739 20 30 DDEDHM CC(C)(C)NC(=S)NN=Cc1ccccc1-c1nnn[n-]1 ZINC000824093921 607882467 /nfs/dbraw/zinc/88/24/67/607882467.db2.gz NSLMCOIRJYIKMF-UHFFFAOYSA-N -1 3 303.395 1.463 20 30 DDEDHM CC(C)(C)NC(=S)NN=Cc1ccccc1-c1nn[n-]n1 ZINC000824093921 607882468 /nfs/dbraw/zinc/88/24/68/607882468.db2.gz NSLMCOIRJYIKMF-UHFFFAOYSA-N -1 3 303.395 1.463 20 30 DDEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)nn1 ZINC000825322406 608434043 /nfs/dbraw/zinc/43/40/43/608434043.db2.gz BZSGNUAOEIIGIB-UHFFFAOYSA-N -1 3 320.360 1.945 20 30 DDEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)nn1 ZINC000825322406 608434045 /nfs/dbraw/zinc/43/40/45/608434045.db2.gz BZSGNUAOEIIGIB-UHFFFAOYSA-N -1 3 320.360 1.945 20 30 DDEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1nccn1C ZINC000823958611 608539866 /nfs/dbraw/zinc/53/98/66/608539866.db2.gz SNOWEUWXJCMPTK-UHFFFAOYSA-N -1 3 317.744 1.485 20 30 DDEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1nccn1C ZINC000823958611 608539869 /nfs/dbraw/zinc/53/98/69/608539869.db2.gz SNOWEUWXJCMPTK-UHFFFAOYSA-N -1 3 317.744 1.485 20 30 DDEDHM CC(C)N(CCC#N)Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000824288987 608586159 /nfs/dbraw/zinc/58/61/59/608586159.db2.gz SJSJRCLKYMEXEE-UHFFFAOYSA-N -1 3 310.365 1.638 20 30 DDEDHM CC(C)N(CCC#N)Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000824288987 608586161 /nfs/dbraw/zinc/58/61/61/608586161.db2.gz SJSJRCLKYMEXEE-UHFFFAOYSA-N -1 3 310.365 1.638 20 30 DDEDHM COc1ccc(C=NNc2ccnc(F)c2)cc1-c1nnn[n-]1 ZINC000826190775 609280555 /nfs/dbraw/zinc/28/05/55/609280555.db2.gz MZUCSCWIFYZLKN-UHFFFAOYSA-N -1 3 313.296 1.855 20 30 DDEDHM COc1ccc(C=NNc2ccnc(F)c2)cc1-c1nn[n-]n1 ZINC000826190775 609280557 /nfs/dbraw/zinc/28/05/57/609280557.db2.gz MZUCSCWIFYZLKN-UHFFFAOYSA-N -1 3 313.296 1.855 20 30 DDEDHM C=C(C)CN(C)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000823878055 609370935 /nfs/dbraw/zinc/37/09/35/609370935.db2.gz NCCPVVBRDWVSDX-UHFFFAOYSA-N -1 3 311.349 1.925 20 30 DDEDHM C=C(C)CN(C)Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000823878055 609370936 /nfs/dbraw/zinc/37/09/36/609370936.db2.gz NCCPVVBRDWVSDX-UHFFFAOYSA-N -1 3 311.349 1.925 20 30 DDEDHM N#CCCCNC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000826381730 609516011 /nfs/dbraw/zinc/51/60/11/609516011.db2.gz WXEBGLOXMHLMSA-UHFFFAOYSA-N -1 3 316.390 1.520 20 30 DDEDHM N#CCCCNC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000826381730 609516012 /nfs/dbraw/zinc/51/60/12/609516012.db2.gz WXEBGLOXMHLMSA-UHFFFAOYSA-N -1 3 316.390 1.520 20 30 DDEDHM Cc1cc(C(=O)OCC#N)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826261224 609626978 /nfs/dbraw/zinc/62/69/78/609626978.db2.gz WMGMNEORYOITOH-UHFFFAOYSA-N -1 3 309.289 1.041 20 30 DDEDHM Cc1cc(C(=O)OCC#N)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826261224 609626980 /nfs/dbraw/zinc/62/69/80/609626980.db2.gz WMGMNEORYOITOH-UHFFFAOYSA-N -1 3 309.289 1.041 20 30 DDEDHM C=CCOCCNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823924929 609641680 /nfs/dbraw/zinc/64/16/80/609641680.db2.gz ANAJJNHAFKCLJO-UHFFFAOYSA-N -1 3 309.276 1.077 20 30 DDEDHM C=CCOCCNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823924929 609641681 /nfs/dbraw/zinc/64/16/81/609641681.db2.gz ANAJJNHAFKCLJO-UHFFFAOYSA-N -1 3 309.276 1.077 20 30 DDEDHM CC(=NN1CC(=O)[N-]C1=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000754713703 700521443 /nfs/dbraw/zinc/52/14/43/700521443.db2.gz KTYOVUQLQYHRCF-UHFFFAOYSA-N -1 3 301.133 1.851 20 30 DDEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cccnc1Cl ZINC000797841586 700026743 /nfs/dbraw/zinc/02/67/43/700026743.db2.gz NQMQYCCIFRWCBO-CMPLNLGQSA-N -1 3 316.810 1.995 20 30 DDEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cccc2c1OCO2 ZINC000747022149 700051461 /nfs/dbraw/zinc/05/14/61/700051461.db2.gz WLBRDCGXLJMBNS-LLVKDONJSA-N -1 3 309.281 1.771 20 30 DDEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCN(CC(F)(F)F)C2)c1[O-] ZINC000747032365 700051961 /nfs/dbraw/zinc/05/19/61/700051961.db2.gz FXHNLJHEAJLKSK-BNMISHFZSA-N -1 3 317.311 1.643 20 30 DDEDHM N#Cc1ccc(S(=O)(=O)NN=c2[n-]cccc2[N+](=O)[O-])cc1 ZINC000125598661 696754483 /nfs/dbraw/zinc/75/44/83/696754483.db2.gz IEIPRQWUWHAYMT-UHFFFAOYSA-N -1 3 319.302 1.167 20 30 DDEDHM CS(=O)(=O)N1CCC[C@@H]1C/N=C/c1cc(Cl)ccc1[O-] ZINC000133104777 696822785 /nfs/dbraw/zinc/82/27/85/696822785.db2.gz OJAAVOXINZGMKM-AZZDOICSSA-N -1 3 316.810 1.889 20 30 DDEDHM C=CCCOCC[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000163386599 697332895 /nfs/dbraw/zinc/33/28/95/697332895.db2.gz LJFKOSZQJHHKKS-UHFFFAOYSA-N -1 3 307.803 1.253 20 30 DDEDHM C=C(CC)COC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000773435926 697759793 /nfs/dbraw/zinc/75/97/93/697759793.db2.gz MEDAHEAKTMYHSB-UHFFFAOYSA-N -1 3 308.359 1.235 20 30 DDEDHM C=C(C)CN(CC)C(=O)COC(=O)c1cc([O-])cc(C#N)c1 ZINC000776275615 698090776 /nfs/dbraw/zinc/09/07/76/698090776.db2.gz VBULUGAYRZDXDI-UHFFFAOYSA-N -1 3 302.330 1.845 20 30 DDEDHM CC(=NNC1=NC[C@@H](C)N1)c1ccc(Br)cc1[O-] ZINC000779805906 698469555 /nfs/dbraw/zinc/46/95/55/698469555.db2.gz VRSFTBIFIGUNFS-SSDOTTSWSA-N -1 3 311.183 1.816 20 30 DDEDHM CC(C)(C)OC(=O)CCNN=C1C(=O)Nc2cc([O-])ccc21 ZINC000783868909 698888707 /nfs/dbraw/zinc/88/87/07/698888707.db2.gz MKKNNAHAJNOAKM-UHFFFAOYSA-N -1 3 305.334 1.370 20 30 DDEDHM O=c1nc(C=N[O-])ccn1CCOCC(F)(F)C(F)(F)F ZINC000786740917 699164596 /nfs/dbraw/zinc/16/45/96/699164596.db2.gz FHAAHBXLBMEIKY-UHFFFAOYSA-N -1 3 315.198 1.266 20 30 DDEDHM N#Cc1cc(C(=O)OCC(=O)[N-]C(=O)c2cccs2)c[nH]1 ZINC000786900242 699178011 /nfs/dbraw/zinc/17/80/11/699178011.db2.gz HIRKQIFGJVARQA-UHFFFAOYSA-N -1 3 303.299 1.061 20 30 DDEDHM Cc1ncc(CO)c(C=NN[C@H](CO)c2ccccc2)c1[O-] ZINC000788454336 699315479 /nfs/dbraw/zinc/31/54/79/699315479.db2.gz FVWISCPWDMRCAD-OAHLLOKOSA-N -1 3 301.346 1.245 20 30 DDEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@H]1COCCO1 ZINC000729104186 699469228 /nfs/dbraw/zinc/46/92/28/699469228.db2.gz ABAPMSJMNRNTBH-GFCCVEGCSA-N -1 3 320.345 1.167 20 30 DDEDHM [O-]c1ccc(F)c(C=NNC(=S)NC[C@H]2CCCO2)c1F ZINC000794471775 699811465 /nfs/dbraw/zinc/81/14/65/699811465.db2.gz PYMBQNDMOJGJQF-MRVPVSSYSA-N -1 3 315.345 1.647 20 30 DDEDHM CCCOc1c(C=NN2CC(=O)[N-]C2=O)cccc1OCC ZINC000744809919 699961676 /nfs/dbraw/zinc/96/16/76/699961676.db2.gz DKVYBPYLVWFXGR-UHFFFAOYSA-N -1 3 305.334 1.760 20 30 DDEDHM COC(=O)c1cncc(C([O-])=C(C#N)C(=O)Nc2ccccc2)c1 ZINC000760198499 700797248 /nfs/dbraw/zinc/79/72/48/700797248.db2.gz WOZUIOOQMBUEPA-AWEZNQCLSA-N -1 3 323.308 1.829 20 30 DDEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@@H]1COC(=O)O1 ZINC000763909108 700952789 /nfs/dbraw/zinc/95/27/89/700952789.db2.gz NORDTWHSFIFMHA-SNVBAGLBSA-N -1 3 320.301 1.287 20 30 DDEDHM Cc1cn2ccnc(C([O-])=C(C#N)C(=O)Nc3ccccn3)c2n1 ZINC000763950778 700954633 /nfs/dbraw/zinc/95/46/33/700954633.db2.gz ZCQOJESXJQWBEA-NSHDSACASA-N -1 3 320.312 1.394 20 30 DDEDHM COc1cccc2c1CCC2N=Nc1nc2c(cnn2C)c(=O)[n-]1 ZINC000769817815 701257895 /nfs/dbraw/zinc/25/78/95/701257895.db2.gz CRWLMPADOYWJCP-UHFFFAOYSA-N -1 3 324.344 1.840 20 30 DDEDHM 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/nfs/dbraw/zinc/24/66/69/336246669.db2.gz AAZUEVPZBUPXIP-UHFFFAOYSA-N -1 3 323.414 1.583 20 30 DDEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)[C@H](O)C(C)C ZINC000583251919 337289848 /nfs/dbraw/zinc/28/98/48/337289848.db2.gz APGLVOPZSRKFMV-GXTWGEPZSA-N -1 3 314.382 1.771 20 30 DDEDHM C[C@@H](CC#N)NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000194622205 340593957 /nfs/dbraw/zinc/59/39/57/340593957.db2.gz SPGGDAIZLOXZDI-ZETCQYMHSA-N -1 3 321.811 1.098 20 30 DDEDHM O=C(N[O-])c1cnc2sc(Cc3ccccc3)cn2c1=O ZINC000671994927 485215481 /nfs/dbraw/zinc/21/54/81/485215481.db2.gz BNRHPTFCTSKCHB-UHFFFAOYSA-N -1 3 301.327 1.466 20 30 DDEDHM C[C@H]([N-]S(=O)(=O)CC1(CC#N)CC1)C(=O)Nc1ccccc1 ZINC000451182097 533954223 /nfs/dbraw/zinc/95/42/23/533954223.db2.gz GQIYBBIVVCCIPB-LBPRGKRZSA-N -1 3 321.402 1.627 20 30 DDEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000435597099 526849982 /nfs/dbraw/zinc/84/99/82/526849982.db2.gz KHLNPQRKSXRCEE-GXTWGEPZSA-N -1 3 313.423 1.724 20 30 DDEDHM C=CC[C@@H](CO)C[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000341223880 527079249 /nfs/dbraw/zinc/07/92/49/527079249.db2.gz YNPRRYDNFALSMR-SECBINFHSA-N -1 3 307.774 1.942 20 30 DDEDHM C=CC[C@@H](CO)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000341161710 527080974 /nfs/dbraw/zinc/08/09/74/527080974.db2.gz CRRNFNBNKNPAJW-SNVBAGLBSA-N -1 3 300.336 1.058 20 30 DDEDHM C=CC[C@@H](CO)C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000341208744 527081431 /nfs/dbraw/zinc/08/14/31/527081431.db2.gz ZNGGXTCJWKTLEK-SNVBAGLBSA-N -1 3 314.794 1.675 20 30 DDEDHM C=CCCC[C@H](C)[N-]S(=O)(=O)c1cccnc1C(=O)OC ZINC000451368323 527296628 /nfs/dbraw/zinc/29/66/28/527296628.db2.gz OJANFXDIPYDZQI-NSHDSACASA-N -1 3 312.391 1.891 20 30 DDEDHM C=CCn1c(=O)[n-]nc1S(=O)(=O)Cc1ccccc1C#N ZINC000341343120 527331560 /nfs/dbraw/zinc/33/15/60/527331560.db2.gz FQYVDFNRMOXAGK-UHFFFAOYSA-N -1 3 304.331 1.015 20 30 DDEDHM CC(C)(O)[C@@H]1CCCN1C(=O)NCc1nnc(C(F)(F)F)[n-]1 ZINC000331155596 527354747 /nfs/dbraw/zinc/35/47/47/527354747.db2.gz 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ZINC000435444874 527970251 /nfs/dbraw/zinc/97/02/51/527970251.db2.gz BFYCWEQSTKFCLG-RKDXNWHRSA-N -1 3 316.404 1.486 20 30 DDEDHM CCN(C[C@@H](C)C#N)S(=O)(=O)[N-][C@H](COC)c1ccco1 ZINC000337088033 528646401 /nfs/dbraw/zinc/64/64/01/528646401.db2.gz GURNHLOCECLHHD-NWDGAFQWSA-N -1 3 315.395 1.283 20 30 DDEDHM C=CCCO[C@H](C)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000735415948 598916376 /nfs/dbraw/zinc/91/63/76/598916376.db2.gz BCUFIONRIGVXGJ-SNVBAGLBSA-N -1 3 312.333 1.658 20 30 DDEDHM C=CCCO[C@H](C)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000735415948 598916377 /nfs/dbraw/zinc/91/63/77/598916377.db2.gz BCUFIONRIGVXGJ-SNVBAGLBSA-N -1 3 312.333 1.658 20 30 DDEDHM N#Cc1ccc(NC(=O)C=Cc2cccnc2)cc1-c1nnn[n-]1 ZINC000737715909 598927308 /nfs/dbraw/zinc/92/73/08/598927308.db2.gz HVYXGJXSTOFDGW-UTCJRWHESA-N -1 3 317.312 1.785 20 30 DDEDHM N#Cc1ccc(NC(=O)C=Cc2cccnc2)cc1-c1nn[n-]n1 ZINC000737715909 598927309 /nfs/dbraw/zinc/92/73/09/598927309.db2.gz HVYXGJXSTOFDGW-UTCJRWHESA-N -1 3 317.312 1.785 20 30 DDEDHM C[C@H](NC(=O)c1ccc(C#N)nc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736120068 598987588 /nfs/dbraw/zinc/98/75/88/598987588.db2.gz VDNWBKLUCSKRFQ-JTQLQIEISA-N -1 3 319.328 1.624 20 30 DDEDHM C[C@H](NC(=O)c1ccc(C#N)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736120068 598987589 /nfs/dbraw/zinc/98/75/89/598987589.db2.gz VDNWBKLUCSKRFQ-JTQLQIEISA-N -1 3 319.328 1.624 20 30 DDEDHM COc1ccc(C=CC(=O)c2cnccn2)cc1-c1nnn[n-]1 ZINC000737082000 599157243 /nfs/dbraw/zinc/15/72/43/599157243.db2.gz SUWHNRAPHYVMRD-RQOWECAXSA-N -1 3 308.301 1.561 20 30 DDEDHM COc1ccc(C=CC(=O)c2cnccn2)cc1-c1nn[n-]n1 ZINC000737082000 599157245 /nfs/dbraw/zinc/15/72/45/599157245.db2.gz SUWHNRAPHYVMRD-RQOWECAXSA-N -1 3 308.301 1.561 20 30 DDEDHM C=C(C)CN(CC)C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000819723093 607262368 /nfs/dbraw/zinc/26/23/68/607262368.db2.gz YGMUWHPCTSJQQS-UHFFFAOYSA-N -1 3 306.757 1.953 20 30 DDEDHM C=C(C)CN(CC)C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000819723093 607262369 /nfs/dbraw/zinc/26/23/69/607262369.db2.gz YGMUWHPCTSJQQS-UHFFFAOYSA-N -1 3 306.757 1.953 20 30 DDEDHM C[C@@H](C#N)NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC000824034300 607833633 /nfs/dbraw/zinc/83/36/33/607833633.db2.gz IHHIXMDXPVHZBG-YFKPBYRVSA-N -1 3 311.132 1.815 20 30 DDEDHM C[C@@H](C#N)NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC000824034300 607833634 /nfs/dbraw/zinc/83/36/34/607833634.db2.gz IHHIXMDXPVHZBG-YFKPBYRVSA-N -1 3 311.132 1.815 20 30 DDEDHM N#Cc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)nc1 ZINC000737711165 598453046 /nfs/dbraw/zinc/45/30/46/598453046.db2.gz GJBTWSYXWYGEFI-UHFFFAOYSA-N -1 3 309.264 1.525 20 30 DDEDHM N#Cc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)nc1 ZINC000737711165 598453048 /nfs/dbraw/zinc/45/30/48/598453048.db2.gz GJBTWSYXWYGEFI-UHFFFAOYSA-N -1 3 309.264 1.525 20 30 DDEDHM C=CC1CCN(C(=O)COc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735402888 598665895 /nfs/dbraw/zinc/66/58/95/598665895.db2.gz MDJDZLWSYGAZMC-UHFFFAOYSA-N -1 3 313.361 1.670 20 30 DDEDHM C=CC1CCN(C(=O)COc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735402888 598665896 /nfs/dbraw/zinc/66/58/96/598665896.db2.gz MDJDZLWSYGAZMC-UHFFFAOYSA-N -1 3 313.361 1.670 20 30 DDEDHM C=CCNC(=O)CS[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735432548 599329479 /nfs/dbraw/zinc/32/94/79/599329479.db2.gz QBTQZJDTUGNXPG-SNVBAGLBSA-N -1 3 303.391 1.963 20 30 DDEDHM C=CCNC(=O)CS[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735432548 599329481 /nfs/dbraw/zinc/32/94/81/599329481.db2.gz QBTQZJDTUGNXPG-SNVBAGLBSA-N -1 3 303.391 1.963 20 30 DDEDHM C=C(C)CN1CCC(NC(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC000736095013 600563680 /nfs/dbraw/zinc/56/36/80/600563680.db2.gz DJRQBNYNACXBDW-UHFFFAOYSA-N -1 3 309.410 1.533 20 30 DDEDHM COC(=O)C1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000831114869 601309671 /nfs/dbraw/zinc/30/96/71/601309671.db2.gz RJUCKSSLALWHNZ-CQSZACIVSA-N -1 3 302.330 1.569 20 30 DDEDHM C#CCN1CCC(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)CC1 ZINC000825614669 601742861 /nfs/dbraw/zinc/74/28/61/601742861.db2.gz UJHWOWNRHPFPTC-HNNXBMFYSA-N -1 3 318.348 1.413 20 30 DDEDHM C=CCOc1ccc(CN2CCC([C@H](O)C(=O)[O-])CC2)cc1 ZINC000833377995 604759363 /nfs/dbraw/zinc/75/93/63/604759363.db2.gz VDRGVVKZOREULU-INIZCTEOSA-N -1 3 305.374 1.909 20 30 DDEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)O[C@H](C#N)C1CC1 ZINC000820550770 606169230 /nfs/dbraw/zinc/16/92/30/606169230.db2.gz YSEAITWDAGHBLE-TVQRCGJNSA-N -1 3 313.317 1.479 20 30 DDEDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)O[C@H](C#N)C1CC1 ZINC000820550770 606169233 /nfs/dbraw/zinc/16/92/33/606169233.db2.gz YSEAITWDAGHBLE-TVQRCGJNSA-N -1 3 313.317 1.479 20 30 DDEDHM N#Cc1nc(N)n(CC#Cc2ccc(Cl)cc2)c1-c1nnn[n-]1 ZINC000822846297 606638186 /nfs/dbraw/zinc/63/81/86/606638186.db2.gz UXCQQVRLCHXRJZ-UHFFFAOYSA-N -1 3 324.735 1.222 20 30 DDEDHM N#Cc1nc(N)n(CC#Cc2ccc(Cl)cc2)c1-c1nn[n-]n1 ZINC000822846297 606638187 /nfs/dbraw/zinc/63/81/87/606638187.db2.gz UXCQQVRLCHXRJZ-UHFFFAOYSA-N -1 3 324.735 1.222 20 30 DDEDHM C#CCCCNC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000819692403 607049018 /nfs/dbraw/zinc/04/90/18/607049018.db2.gz FLHPKHSFMUXAAW-UHFFFAOYSA-N -1 3 313.361 1.554 20 30 DDEDHM C#CCCCNC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000819692403 607049019 /nfs/dbraw/zinc/04/90/19/607049019.db2.gz FLHPKHSFMUXAAW-UHFFFAOYSA-N -1 3 313.361 1.554 20 30 DDEDHM C[C@H](OC(=O)COc1ccc(-c2nn[n-]n2)cc1)C(C)(C)C#N ZINC000824712573 607806856 /nfs/dbraw/zinc/80/68/56/607806856.db2.gz BGENZUSNNZWGPC-JTQLQIEISA-N -1 3 315.333 1.727 20 30 DDEDHM C#CCNC(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823850291 607844245 /nfs/dbraw/zinc/84/42/45/607844245.db2.gz MYKNLTYZQANALA-UHFFFAOYSA-N -1 3 307.766 1.362 20 30 DDEDHM C#CCNC(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823850291 607844246 /nfs/dbraw/zinc/84/42/46/607844246.db2.gz MYKNLTYZQANALA-UHFFFAOYSA-N -1 3 307.766 1.362 20 30 DDEDHM N#CCc1ccc(C(=O)NCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826381857 607970023 /nfs/dbraw/zinc/97/00/23/607970023.db2.gz BPQJRPLORUJAES-UHFFFAOYSA-N -1 3 318.340 1.863 20 30 DDEDHM N#CCc1ccc(C(=O)NCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826381857 607970024 /nfs/dbraw/zinc/97/00/24/607970024.db2.gz BPQJRPLORUJAES-UHFFFAOYSA-N -1 3 318.340 1.863 20 30 DDEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1cnn(C)c1 ZINC000823958401 608538691 /nfs/dbraw/zinc/53/86/91/608538691.db2.gz MLOLIMCFUYSHAJ-UHFFFAOYSA-N -1 3 317.744 1.485 20 30 DDEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cnn(C)c1 ZINC000823958401 608538692 /nfs/dbraw/zinc/53/86/92/608538692.db2.gz MLOLIMCFUYSHAJ-UHFFFAOYSA-N -1 3 317.744 1.485 20 30 DDEDHM CCCNC(=S)NN=C(C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000825333282 609158013 /nfs/dbraw/zinc/15/80/13/609158013.db2.gz UUNSBMOPLWOTBI-UHFFFAOYSA-N -1 3 321.385 1.604 20 30 DDEDHM CCCNC(=S)NN=C(C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000825333282 609158015 /nfs/dbraw/zinc/15/80/15/609158015.db2.gz UUNSBMOPLWOTBI-UHFFFAOYSA-N -1 3 321.385 1.604 20 30 DDEDHM CCCNN=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000825332819 609304018 /nfs/dbraw/zinc/30/40/18/609304018.db2.gz MOWRAONBQSHTHV-UHFFFAOYSA-N -1 3 310.365 1.601 20 30 DDEDHM CCCNN=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 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