smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C(=O)c1ccccc1-c1ccccc1C#N)C1CCCCC1 ZINC000078947652 185133693 /nfs/dbraw/zinc/13/36/93/185133693.db2.gz CPFIRWLSAKHUPB-UHFFFAOYSA-N 0 0 318.420 4.630 20 30 DJEDRN C#Cc1ccc(-c2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 ZINC000090628098 185307452 /nfs/dbraw/zinc/30/74/52/185307452.db2.gz IHLQOINDLWHODT-UHFFFAOYSA-N 0 0 302.377 4.682 20 30 DJEDRN C[C@@H](Sc1ncccc1Br)c1cccc(C#N)c1 ZINC000442914296 338439316 /nfs/dbraw/zinc/43/93/16/338439316.db2.gz MANBLSRAWWRBPY-SNVBAGLBSA-N 0 0 319.227 4.569 20 30 DJEDRN C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000442669389 335002524 /nfs/dbraw/zinc/00/25/24/335002524.db2.gz AYRMPEHNJQYXEC-WMZOPIPTSA-N 0 0 322.477 4.733 20 30 DJEDRN CC[N@H+](Cc1ccc(Cl)s1)[C@H](C)c1cccc(C#N)c1 ZINC000442674523 335011781 /nfs/dbraw/zinc/01/17/81/335011781.db2.gz CSENBLRNQXCJIC-GFCCVEGCSA-N 0 0 304.846 4.856 20 30 DJEDRN C=CCCC(=O)CSc1nnc(-c2cccc3ccccc32)o1 ZINC000134812345 335014123 /nfs/dbraw/zinc/01/41/23/335014123.db2.gz GIROOLWOBCITPI-UHFFFAOYSA-N 0 0 324.405 4.517 20 30 DJEDRN Cc1c2cccc(Cl)c2oc1C(=O)Nc1ccc(CC#N)cc1 ZINC000016495782 182047468 /nfs/dbraw/zinc/04/74/68/182047468.db2.gz CENDJHMHSQMXAF-UHFFFAOYSA-N 0 0 324.767 4.713 20 30 DJEDRN N#Cc1cccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)c1 ZINC000021006933 182259396 /nfs/dbraw/zinc/25/93/96/182259396.db2.gz WCNYQTNSMJOEPC-UHFFFAOYSA-N 0 0 313.360 4.554 20 30 DJEDRN N#Cc1cccc(C(=O)Nc2cccc(Nc3ccccc3)c2)c1 ZINC000098076375 193782735 /nfs/dbraw/zinc/78/27/35/193782735.db2.gz BDCLFNNWJWHYSN-UHFFFAOYSA-N 0 0 313.360 4.554 20 30 DJEDRN C=C[C@H](CC(=O)N(CC)[C@H](CC)c1ccncc1)c1ccccc1 ZINC000135498162 335032927 /nfs/dbraw/zinc/03/29/27/335032927.db2.gz PHJQTIIJWVQIBZ-YLJYHZDGSA-N 0 0 322.452 4.741 20 30 DJEDRN CCC[C@H]1CCCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000135424314 335033718 /nfs/dbraw/zinc/03/37/18/335033718.db2.gz QLGCKZOGMYPJSI-HNNXBMFYSA-N 0 0 313.445 4.532 20 30 DJEDRN C=CCN(C(=O)c1ccc2[nH]c(C)c(C)c2c1)c1ccccc1 ZINC000040564150 183102951 /nfs/dbraw/zinc/10/29/51/183102951.db2.gz HDFIOIIBYVZJDU-UHFFFAOYSA-N 0 0 304.393 4.618 20 30 DJEDRN N#Cc1ccc(CNC(=O)c2ccc(C3CCCCC3)cc2)cc1 ZINC000043748536 183385246 /nfs/dbraw/zinc/38/52/46/183385246.db2.gz RMYCTJHDNFXFLZ-UHFFFAOYSA-N 0 0 318.420 4.536 20 30 DJEDRN CC(C)(C)OC(=O)Nc1ccc(NCc2ccc(C#N)cc2)cc1 ZINC000105396748 194102060 /nfs/dbraw/zinc/10/20/60/194102060.db2.gz KQKDJQWAXQABSO-UHFFFAOYSA-N 0 0 323.396 4.517 20 30 DJEDRN C=CCC[C@@H](N[C@H]1CCOc2ccc(F)cc21)c1ccco1 ZINC000287526779 335044526 /nfs/dbraw/zinc/04/45/26/335044526.db2.gz OTMOBRJAXXNDCI-JKSUJKDBSA-N 0 0 301.361 4.539 20 30 DJEDRN CC[C@@H](C)[C@H](C(=O)Nc1ccc(CC#N)cc1)c1ccccc1 ZINC000057821078 184055653 /nfs/dbraw/zinc/05/56/53/184055653.db2.gz YHVJTSMIDOTDEW-BEFAXECRSA-N 0 0 306.409 4.521 20 30 DJEDRN N#Cc1ccc(CSCCOc2ccc(Cl)cc2)cc1 ZINC000058239726 184093406 /nfs/dbraw/zinc/09/34/06/184093406.db2.gz JYBAUUMZXHOWAN-UHFFFAOYSA-N 0 0 303.814 4.524 20 30 DJEDRN N#Cc1cccc(CSCc2ccc(Br)cc2)c1 ZINC000058238484 184093491 /nfs/dbraw/zinc/09/34/91/184093491.db2.gz VKDQTNSBCCSQBH-UHFFFAOYSA-N 0 0 318.239 4.754 20 30 DJEDRN CN(C(=O)c1ccc(-c2ccccc2)cc1)c1cccc(C#N)c1 ZINC000060083710 184143765 /nfs/dbraw/zinc/14/37/65/184143765.db2.gz GZAXCSWWVJRWGX-UHFFFAOYSA-N 0 0 312.372 4.502 20 30 DJEDRN N#Cc1ccc(CNc2cc(Br)ccc2Cl)cc1 ZINC000061690777 184183067 /nfs/dbraw/zinc/18/30/67/184183067.db2.gz DCCBIZUMPNZMLC-UHFFFAOYSA-N 0 0 321.605 4.586 20 30 DJEDRN C=CCc1cccc(C(C)C)c1NC(=O)c1nc(Cl)cs1 ZINC000279633743 130755226 /nfs/dbraw/zinc/75/52/26/130755226.db2.gz BXSXWHLNFFZEEB-UHFFFAOYSA-N 0 0 320.845 4.901 20 30 DJEDRN C[C@H](c1cc2ccccc2o1)N(C)c1nccc(C#N)c1Cl ZINC000570577772 332776159 /nfs/dbraw/zinc/77/61/59/332776159.db2.gz NWSKBFHTSWQJPF-LLVKDONJSA-N 0 0 311.772 4.550 20 30 DJEDRN CC1(C#N)CCC(Nc2cccc(OCC(F)(F)F)c2)CC1 ZINC000449049737 332798000 /nfs/dbraw/zinc/79/80/00/332798000.db2.gz KUGBWJNXCJEMHL-UHFFFAOYSA-N 0 0 312.335 4.512 20 30 DJEDRN CC1(C)CCCN(Cc2csc(C3CCCCC3)n2)[C@@H]1C#N ZINC000444721493 332799199 /nfs/dbraw/zinc/79/91/99/332799199.db2.gz FQCKKCHRFGYNMJ-MRXNPFEDSA-N 0 0 317.502 4.705 20 30 DJEDRN C=C[C@@H](CC(=O)Nc1ccc(OCC)cc1C)c1ccccc1 ZINC000533899582 332853339 /nfs/dbraw/zinc/85/33/39/332853339.db2.gz IGVBZUUIHQMCQD-INIZCTEOSA-N 0 0 309.409 4.692 20 30 DJEDRN CCC[C@@H](CC)NC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000109028032 331503416 /nfs/dbraw/zinc/50/34/16/331503416.db2.gz SSQSRLSVMDTMQM-UONOGXRCSA-N 0 0 319.474 4.781 20 30 DJEDRN C=CC[C@H](C(=O)Nc1cc(C)c(O)c(C)c1C)c1ccccc1 ZINC000188274850 331546192 /nfs/dbraw/zinc/54/61/92/331546192.db2.gz YHUAZJOJOLOJCV-KRWDZBQOSA-N 0 0 309.409 4.616 20 30 DJEDRN N#Cc1ccc(NCc2ccc(C(F)(F)F)cc2)cc1Cl ZINC000037393324 331567399 /nfs/dbraw/zinc/56/73/99/331567399.db2.gz CGHCNYHFIQDMKO-UHFFFAOYSA-N 0 0 310.706 4.843 20 30 DJEDRN CC(C)(C)CCCC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000464951343 332917016 /nfs/dbraw/zinc/91/70/16/332917016.db2.gz JMTMHFFYNOIDLU-ZWKOTPCHSA-N 0 0 312.457 4.501 20 30 DJEDRN C=CCC(C)(C)c1noc(-c2cc3ccc(F)cc3nc2C)n1 ZINC000556361963 331674011 /nfs/dbraw/zinc/67/40/11/331674011.db2.gz JYABAAPAIAEDIE-UHFFFAOYSA-N 0 0 311.360 4.586 20 30 DJEDRN CC[C@H](CC#N)N[C@@H](C)c1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000517755055 331680439 /nfs/dbraw/zinc/68/04/39/331680439.db2.gz LYJWMZCHXNTJNE-SWLSCSKDSA-N 0 0 317.820 4.646 20 30 DJEDRN C[C@H](Nc1ccc(F)cc1C#N)c1cccc(C(F)(F)F)c1 ZINC000317338088 331696520 /nfs/dbraw/zinc/69/65/20/331696520.db2.gz FSWRTFALLXYDFL-JTQLQIEISA-N 0 0 308.278 4.889 20 30 DJEDRN CC(C)(C#N)CCCOc1cc(Br)ccc1Cl ZINC000087598995 331706443 /nfs/dbraw/zinc/70/64/43/331706443.db2.gz NGSMSPRKHPFAND-UHFFFAOYSA-N 0 0 316.626 4.811 20 30 DJEDRN C=CCN(CC(F)(F)F)C(=O)C1CCC(CCCC)CC1 ZINC000557564782 331800152 /nfs/dbraw/zinc/80/01/52/331800152.db2.gz RTSNPKCNJQSNQX-UHFFFAOYSA-N 0 0 305.384 4.560 20 30 DJEDRN Cc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(C#N)c2)cc1C ZINC000063607422 331817677 /nfs/dbraw/zinc/81/76/77/331817677.db2.gz ZLIPOFMINZBUJQ-IBGZPJMESA-N 0 0 319.408 4.544 20 30 DJEDRN CCCCN(C(=O)c1ccc(C#N)c(Cl)c1)C1CCCCC1 ZINC000558089873 331868378 /nfs/dbraw/zinc/86/83/78/331868378.db2.gz YMVMCRMTFORZPV-UHFFFAOYSA-N 0 0 318.848 4.787 20 30 DJEDRN CC(C)c1ccccc1N(C)C(=O)c1ccc(Cl)c(C#N)c1 ZINC000558342054 331898313 /nfs/dbraw/zinc/89/83/13/331898313.db2.gz SQQVAZNKUPOYHJ-UHFFFAOYSA-N 0 0 312.800 4.612 20 30 DJEDRN CC[C@H](C)[C@@H](C(=O)Nc1cccc(CC#N)c1)c1ccccc1 ZINC000313530592 331962967 /nfs/dbraw/zinc/96/29/67/331962967.db2.gz ZKDCVFJLUBHYIO-HNAYVOBHSA-N 0 0 306.409 4.521 20 30 DJEDRN CC[C@@H](C)[C@H](C(=O)Nc1cccc(CC#N)c1)c1ccccc1 ZINC000313530560 331963167 /nfs/dbraw/zinc/96/31/67/331963167.db2.gz ZKDCVFJLUBHYIO-BEFAXECRSA-N 0 0 306.409 4.521 20 30 DJEDRN CCSc1ccc(Cl)cc1NC(=O)c1ccc(C#N)cc1 ZINC000517852178 331973532 /nfs/dbraw/zinc/97/35/32/331973532.db2.gz IRMSSUVCIUFEDV-UHFFFAOYSA-N 0 0 316.813 4.576 20 30 DJEDRN N#Cc1cccc(CSCc2ccccc2OC(F)F)c1 ZINC000517963070 331980926 /nfs/dbraw/zinc/98/09/26/331980926.db2.gz ZGSOEBKSXZXKDQ-UHFFFAOYSA-N 0 0 305.349 4.593 20 30 DJEDRN C=CCC(C)(C)c1noc(Cc2c[nH]c3cccc(Cl)c23)n1 ZINC000518144823 331993208 /nfs/dbraw/zinc/99/32/08/331993208.db2.gz XMYPCZGHFZWXGO-UHFFFAOYSA-N 0 0 315.804 4.649 20 30 DJEDRN CC(C)CCc1ccccc1NC(=O)c1cccc(CC#N)c1 ZINC000520921218 331998224 /nfs/dbraw/zinc/99/82/24/331998224.db2.gz UIZWMTXZKIXZDC-UHFFFAOYSA-N 0 0 306.409 4.594 20 30 DJEDRN C=CCCO[C@@H](C)C(=O)N(CC(C)C)[C@@H](CC)c1ccccc1 ZINC000518395977 332025034 /nfs/dbraw/zinc/02/50/34/332025034.db2.gz VFLHWQCWPOPEOH-HKUYNNGSSA-N 0 0 317.473 4.604 20 30 DJEDRN N#Cc1ccc(NC(=O)N2CCCCC[C@H]2c2ccccc2)cc1 ZINC000409695819 332047431 /nfs/dbraw/zinc/04/74/31/332047431.db2.gz KGAMQELYSXPMQF-IBGZPJMESA-N 0 0 319.408 4.707 20 30 DJEDRN C=CCCc1ccccc1NCc1nc2ccccc2nc1C ZINC000409845917 332060057 /nfs/dbraw/zinc/06/00/57/332060057.db2.gz SSCWRKIJWPWDQV-UHFFFAOYSA-N 0 0 303.409 4.669 20 30 DJEDRN C=CCCc1ccccc1NCc1noc(C2CCCCC2)n1 ZINC000409875108 332062394 /nfs/dbraw/zinc/06/23/94/332062394.db2.gz LBPMNWNCPVDSMG-UHFFFAOYSA-N 0 0 311.429 4.848 20 30 DJEDRN C=CCCC[C@H](C)NC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000409896500 332063204 /nfs/dbraw/zinc/06/32/04/332063204.db2.gz KCRBCLTUZMJMSB-QWHCGFSZSA-N 0 0 313.363 4.670 20 30 DJEDRN C=CCC[C@@H](NC(=O)[C@@H]1CCCC(F)(F)C1)c1ccccc1 ZINC000409981910 332070825 /nfs/dbraw/zinc/07/08/25/332070825.db2.gz VCZHIFWTQHDNLK-HZPDHXFCSA-N 0 0 307.384 4.636 20 30 DJEDRN CCCC[C@@H](C)C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl ZINC000409994485 332074098 /nfs/dbraw/zinc/07/40/98/332074098.db2.gz SUZXMLMRWUPQHZ-ZWNOBZJWSA-N 0 0 313.228 4.501 20 30 DJEDRN CCCC[C@H](C)C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000410092991 332087971 /nfs/dbraw/zinc/08/79/71/332087971.db2.gz GCKVMXIYVWOMED-HZMBPMFUSA-N 0 0 313.228 4.501 20 30 DJEDRN C=CC[C@@H](CC)NC(=O)Cc1csc2ccc(Cl)cc12 ZINC000410129796 332090774 /nfs/dbraw/zinc/09/07/74/332090774.db2.gz GYYZZNRWLXPYIE-CYBMUJFWSA-N 0 0 307.846 4.568 20 30 DJEDRN C=CC[C@@H](CC)NC(=O)c1cc(SC)c(Cl)cc1Cl ZINC000410120727 332091033 /nfs/dbraw/zinc/09/10/33/332091033.db2.gz MGCJXXDOZYBJMV-SECBINFHSA-N 0 0 318.269 4.800 20 30 DJEDRN C=CC[C@H](CC)NC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000410133567 332091566 /nfs/dbraw/zinc/09/15/66/332091566.db2.gz IPRFYLTXAOFJPX-UBHSHLNASA-N 0 0 312.240 4.568 20 30 DJEDRN COc1ccc(C)cc1[C@H](C)N[C@H](CCC#N)c1ccccc1 ZINC000090665688 332092370 /nfs/dbraw/zinc/09/23/70/332092370.db2.gz UROXCASRTJTNIY-QFBILLFUSA-N 0 0 308.425 4.699 20 30 DJEDRN COc1ccc([C@H](C)N[C@@H](CCC#N)c2ccccc2)c(F)c1 ZINC000090665879 332092398 /nfs/dbraw/zinc/09/23/98/332092398.db2.gz MPLCLFJLLNLKDG-LIRRHRJNSA-N 0 0 312.388 4.530 20 30 DJEDRN CC(C)(C#N)CCOc1ccc([N+](=O)[O-])cc1-c1cccs1 ZINC000410309292 332109394 /nfs/dbraw/zinc/10/93/94/332109394.db2.gz TWVFZQATNLGQJX-UHFFFAOYSA-N 0 0 316.382 4.642 20 30 DJEDRN C=CCCc1ccccc1NC(=O)C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000410343678 332113482 /nfs/dbraw/zinc/11/34/82/332113482.db2.gz GZEAGWVHYLZRGH-VQIMIIECSA-N 0 0 315.457 4.585 20 30 DJEDRN C=CCCc1ccccc1NC(=O)[C@@H]1SCCc2ccccc21 ZINC000410354643 332114042 /nfs/dbraw/zinc/11/40/42/332114042.db2.gz QOPAMAXRKHRXPQ-LJQANCHMSA-N 0 0 323.461 4.774 20 30 DJEDRN C=CCCc1ccccc1NC(=O)c1ccc(OC)c(C2CC2)c1 ZINC000410354046 332114229 /nfs/dbraw/zinc/11/42/29/332114229.db2.gz VMDYCNZQTUPUFB-UHFFFAOYSA-N 0 0 321.420 4.944 20 30 DJEDRN C=CCCc1ccccc1NC(=O)C[C@@H]1CCOc2ccccc21 ZINC000410355659 332114354 /nfs/dbraw/zinc/11/43/54/332114354.db2.gz UMBHFEGZNDPKHX-KRWDZBQOSA-N 0 0 321.420 4.700 20 30 DJEDRN C=CCCc1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000410347691 332114870 /nfs/dbraw/zinc/11/48/70/332114870.db2.gz PKGWEZHHUFDUJK-MSOLQXFVSA-N 0 0 309.384 4.687 20 30 DJEDRN C=CCCc1ccccc1NC(=O)[C@H](C)Oc1cccc(C)c1 ZINC000410349666 332115240 /nfs/dbraw/zinc/11/52/40/332115240.db2.gz GFUGDKLGJDOWSU-INIZCTEOSA-N 0 0 309.409 4.520 20 30 DJEDRN C=CCCc1ccccc1NC(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000410356938 332117033 /nfs/dbraw/zinc/11/70/33/332117033.db2.gz XXLNILBDUWIQFV-KNQAVFIVSA-N 0 0 317.432 4.648 20 30 DJEDRN C=CCCc1ccccc1NC(=O)[C@H](CC)OC1CCCCC1 ZINC000410360257 332117477 /nfs/dbraw/zinc/11/74/77/332117477.db2.gz QOWLJDBZZBOXAN-IBGZPJMESA-N 0 0 315.457 4.872 20 30 DJEDRN C=CCCc1ccccc1NC(=O)c1ccc(Cl)cc1OC ZINC000410363727 332118080 /nfs/dbraw/zinc/11/80/80/332118080.db2.gz KGFJHFJPUDTKMG-UHFFFAOYSA-N 0 0 315.800 4.720 20 30 DJEDRN C=CCCc1ccccc1NC(=O)[C@@H](C)OC1CCCCCC1 ZINC000410370033 332118652 /nfs/dbraw/zinc/11/86/52/332118652.db2.gz ACEWGDNXUWUKCV-MRXNPFEDSA-N 0 0 315.457 4.872 20 30 DJEDRN C=CCCc1ccccc1NC(=O)C1(c2ccccc2C)CC1 ZINC000410371906 332118858 /nfs/dbraw/zinc/11/88/58/332118858.db2.gz GEOQSWGPNIELMV-UHFFFAOYSA-N 0 0 305.421 4.784 20 30 DJEDRN C=CCCc1ccccc1NC(=O)C/C=C/c1cccc(F)c1 ZINC000410371321 332118864 /nfs/dbraw/zinc/11/88/64/332118864.db2.gz CXDNTVMEZCPGIK-VQHVLOKHSA-N 0 0 309.384 4.986 20 30 DJEDRN C=CCCc1ccccc1NC(=O)C[C@@H](C)c1ccc(OC)cc1 ZINC000410371403 332118867 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RMRQHNYAOUMXQN-KBPBESRZSA-N 0 0 304.459 4.846 20 30 DJEDRN N#CCCCOc1cccc(NCc2ccc3ncccc3c2)c1 ZINC000324603123 336233275 /nfs/dbraw/zinc/23/32/75/336233275.db2.gz AOHUUUJPBXNPNA-UHFFFAOYSA-N 0 0 317.392 4.529 20 30 DJEDRN C=C(C)CN(CC)C(=O)CSc1c(Cl)cccc1Cl ZINC000104524147 336254332 /nfs/dbraw/zinc/25/43/32/336254332.db2.gz HTFCPGGGGVBCFE-UHFFFAOYSA-N 0 0 318.269 4.510 20 30 DJEDRN Cc1cc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)oc1C ZINC000125232560 336257679 /nfs/dbraw/zinc/25/76/79/336257679.db2.gz WSFNSVPGABKNFW-LBPRGKRZSA-N 0 0 314.410 4.543 20 30 DJEDRN N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1cc2ccccc2o1 ZINC000532623517 336257712 /nfs/dbraw/zinc/25/77/12/336257712.db2.gz IKHZNJRDQWSQER-UXHICEINSA-N 0 0 316.404 4.705 20 30 DJEDRN N#CCc1ccc(NCc2ccc(-c3ccc(F)cc3)o2)cc1 ZINC000192790499 336261738 /nfs/dbraw/zinc/26/17/38/336261738.db2.gz KMHZDDFUOJAKOH-UHFFFAOYSA-N 0 0 306.340 4.764 20 30 DJEDRN CCSc1ccccc1C(=O)Nc1ccc(C#N)cc1Cl ZINC000532699001 336266988 /nfs/dbraw/zinc/26/69/88/336266988.db2.gz RARJFVFACXEGDS-UHFFFAOYSA-N 0 0 316.813 4.576 20 30 DJEDRN C[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1-c1ccccc1C#N ZINC000104879721 336271284 /nfs/dbraw/zinc/27/12/84/336271284.db2.gz STQQAQXBGDSKET-FOIQADDNSA-N 0 0 318.420 4.534 20 30 DJEDRN C[C@H]1CCCC[C@H]1NC(=O)c1ccccc1-c1ccccc1C#N ZINC000104879724 336271354 /nfs/dbraw/zinc/27/13/54/336271354.db2.gz STQQAQXBGDSKET-MGPUTAFESA-N 0 0 318.420 4.534 20 30 DJEDRN C[C@@H]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)[C@@H]2CCCC[C@@H]12 ZINC000526981152 336277800 /nfs/dbraw/zinc/27/78/00/336277800.db2.gz LWDXZRXPNXBBST-BTHPGYMESA-N 0 0 324.468 4.501 20 30 DJEDRN CC(C)Oc1ccc(N[C@@H](C)c2ccc(OCC#N)cc2)cc1 ZINC000192956671 336285858 /nfs/dbraw/zinc/28/58/58/336285858.db2.gz YNSZCFGPZAXOHT-HNNXBMFYSA-N 0 0 310.397 4.549 20 30 DJEDRN C[C@@H](Sc1ccc(C#N)cn1)c1ccc(OC(F)(F)F)cc1 ZINC000301116371 336290774 /nfs/dbraw/zinc/29/07/74/336290774.db2.gz VJJYEIWYLQCUSD-SNVBAGLBSA-N 0 0 324.327 4.705 20 30 DJEDRN C[C@@H](Nc1c(F)cc(C#N)cc1F)c1cccc(OC(F)F)c1 ZINC000301131831 336291631 /nfs/dbraw/zinc/29/16/31/336291631.db2.gz ZOYLZDKCJFCJFJ-SECBINFHSA-N 0 0 324.277 4.611 20 30 DJEDRN C[C@@H](Nc1ccc(Cl)c(C#N)n1)c1cc2ccccc2s1 ZINC000301165672 336292895 /nfs/dbraw/zinc/29/28/95/336292895.db2.gz HNFHYAHLJFMZCK-SNVBAGLBSA-N 0 0 313.813 4.994 20 30 DJEDRN CC(C)(C)OCc1cccc(CNc2ccc(C#N)cc2F)c1 ZINC000301180794 336293671 /nfs/dbraw/zinc/29/36/71/336293671.db2.gz NBOVHZHXDBWCHM-UHFFFAOYSA-N 0 0 312.388 4.625 20 30 DJEDRN CC[C@H](Nc1snc(Cl)c1C#N)c1ccc(Cl)cc1 ZINC000301287310 336298813 /nfs/dbraw/zinc/29/88/13/336298813.db2.gz RVXIQDBYRWEMIW-NSHDSACASA-N 0 0 312.225 4.885 20 30 DJEDRN CC[C@@H](Nc1snc(Cl)c1C#N)c1ccc(Cl)cc1 ZINC000301287309 336298835 /nfs/dbraw/zinc/29/88/35/336298835.db2.gz RVXIQDBYRWEMIW-LLVKDONJSA-N 0 0 312.225 4.885 20 30 DJEDRN CCN(c1ncccc1C#N)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000301300992 336299771 /nfs/dbraw/zinc/29/97/71/336299771.db2.gz XQBVZRSJUDQKBD-LBPRGKRZSA-N 0 0 319.330 4.560 20 30 DJEDRN Cc1ccsc1[C@@H](Cc1ccccc1)Nc1ccc(C#N)cn1 ZINC000301343782 336301590 /nfs/dbraw/zinc/30/15/90/336301590.db2.gz RVKBCWDIGVUSAN-QGZVFWFLSA-N 0 0 319.433 4.719 20 30 DJEDRN Cc1ccc(-c2nc(CNc3ccc(Cl)cc3C#N)co2)cc1 ZINC000301420984 336305562 /nfs/dbraw/zinc/30/55/62/336305562.db2.gz IJTCNXCIAVLJQN-UHFFFAOYSA-N 0 0 323.783 4.787 20 30 DJEDRN N#Cc1cc(F)c(NCc2ccc(-c3cccnc3)cc2)c(F)c1 ZINC000301444984 336307112 /nfs/dbraw/zinc/30/71/12/336307112.db2.gz NUAJQPUQFKKKPP-UHFFFAOYSA-N 0 0 321.330 4.511 20 30 DJEDRN C[C@H](Nc1ccc(C#N)c(Cl)c1)c1ccc(-n2cccn2)cc1 ZINC000301453804 336307733 /nfs/dbraw/zinc/30/77/33/336307733.db2.gz RFODDPSKXUIIDM-ZDUSSCGKSA-N 0 0 322.799 4.570 20 30 DJEDRN C[C@H](Nc1ncc(C#N)cc1Cl)c1c(F)cccc1Cl ZINC000301493421 336310075 /nfs/dbraw/zinc/31/00/75/336310075.db2.gz QMTAXVBRNUSPKL-QMMMGPOBSA-N 0 0 310.159 4.572 20 30 DJEDRN COc1cccc([C@@H]2CCCN2c2ccc(C#N)c(Cl)c2)c1 ZINC000301507123 336311217 /nfs/dbraw/zinc/31/12/17/336311217.db2.gz HFVOKCXRTZAFIY-SFHVURJKSA-N 0 0 312.800 4.562 20 30 DJEDRN Cc1ccc([C@H]2CCCN2c2snc(Cl)c2C#N)cc1C ZINC000301514444 336311732 /nfs/dbraw/zinc/31/17/32/336311732.db2.gz FAIVLMCNANMKLR-CQSZACIVSA-N 0 0 317.845 4.627 20 30 DJEDRN CCOc1ccccc1[C@H](CC)Nc1ccc(Cl)c(C#N)n1 ZINC000301531752 336312857 /nfs/dbraw/zinc/31/28/57/336312857.db2.gz PQAKCVOMUIVQJY-AWEZNQCLSA-N 0 0 315.804 4.569 20 30 DJEDRN Cc1ccsc1[C@H](Cc1ccccc1)Nc1cccc(C#N)n1 ZINC000301546950 336313942 /nfs/dbraw/zinc/31/39/42/336313942.db2.gz DYACNXIPFOQBBM-KRWDZBQOSA-N 0 0 319.433 4.719 20 30 DJEDRN C[C@H](Nc1c(F)cc(C#N)cc1F)c1ccc(OC(F)F)cc1 ZINC000301549787 336314159 /nfs/dbraw/zinc/31/41/59/336314159.db2.gz UYNVEHNKXYPDCN-VIFPVBQESA-N 0 0 324.277 4.611 20 30 DJEDRN Cc1cccc([C@@H]2CCCN2c2ccc(Cl)c(C#N)n2)c1C ZINC000301599391 336317420 /nfs/dbraw/zinc/31/74/20/336317420.db2.gz UJSQNJJVXXUMKM-KRWDZBQOSA-N 0 0 311.816 4.565 20 30 DJEDRN N#Cc1cc(C(F)(F)F)ccc1NCc1cc2ccccc2[nH]1 ZINC000301622008 336318805 /nfs/dbraw/zinc/31/88/05/336318805.db2.gz NPULIBQAFSYEST-UHFFFAOYSA-N 0 0 315.298 4.670 20 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SPHGYGAFDNZEEQ-ZDUSSCGKSA-N 0 0 317.348 4.793 20 30 DJEDRN C=CCC[C@H](Nc1nnc(-c2ccccn2)s1)c1ccccc1 ZINC000302231109 336355338 /nfs/dbraw/zinc/35/53/38/336355338.db2.gz RYFAYIBYWHGUKZ-HNNXBMFYSA-N 0 0 322.437 4.720 20 30 DJEDRN C[C@@H](Nc1cc(C#N)ccc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000302252298 336356269 /nfs/dbraw/zinc/35/62/69/336356269.db2.gz XEQOQISSRTZKRV-LLVKDONJSA-N 0 0 315.298 4.622 20 30 DJEDRN CC[C@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1cccc(Cl)c1 ZINC000302569615 336361891 /nfs/dbraw/zinc/36/18/91/336361891.db2.gz YIVLLPVWNWEPLK-HNNXBMFYSA-N 0 0 315.760 4.683 20 30 DJEDRN N#Cc1c(Cl)nsc1SCc1ccccc1Cl ZINC000302646254 336363414 /nfs/dbraw/zinc/36/34/14/336363414.db2.gz APOWOAFEWRSLHG-UHFFFAOYSA-N 0 0 301.223 4.614 20 30 DJEDRN COC[C@@H](Nc1ccc(C#N)c(Cl)c1)c1ccc(Cl)cc1 ZINC000302848421 336371958 /nfs/dbraw/zinc/37/19/58/336371958.db2.gz HRVZZVBPERPXRC-MRXNPFEDSA-N 0 0 321.207 4.665 20 30 DJEDRN C=C[C@@H](CC(=O)NC[C@H](c1ccccc1)C1CC1)c1ccccc1 ZINC000563906378 336375068 /nfs/dbraw/zinc/37/50/68/336375068.db2.gz HMRIKFOFHRYYRI-LAUBAEHRSA-N 0 0 319.448 4.656 20 30 DJEDRN C[C@@H](Nc1cccc(-c2nccs2)c1)c1ccc(C#N)cc1 ZINC000314736566 336382578 /nfs/dbraw/zinc/38/25/78/336382578.db2.gz REABNSXPIKFDQB-CYBMUJFWSA-N 0 0 305.406 4.855 20 30 DJEDRN CC(C)(C#N)CCCSCc1cc(-c2ccccc2)on1 ZINC000161200209 336384271 /nfs/dbraw/zinc/38/42/71/336384271.db2.gz NALHVVVGAWCGLI-UHFFFAOYSA-N 0 0 300.427 4.905 20 30 DJEDRN CCC[C@H](NC(=O)C[C@@H](CC#N)c1ccccc1)c1ccccc1 ZINC000353851549 336443833 /nfs/dbraw/zinc/44/38/33/336443833.db2.gz MEOJGQDKYPDNNR-UXHICEINSA-N 0 0 320.436 4.732 20 30 DJEDRN CS[C@H](C)CCC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000358412753 336628951 /nfs/dbraw/zinc/62/89/51/336628951.db2.gz ZRFXJYRFOPCLMO-CHWSQXEVSA-N 0 0 322.499 4.551 20 30 DJEDRN C[C@H](SCc1ccc(-n2ccnc2)cc1)c1cccc(C#N)c1 ZINC000359064945 336656018 /nfs/dbraw/zinc/65/60/18/336656018.db2.gz GOEIUCZJLQROBR-HNNXBMFYSA-N 0 0 319.433 4.738 20 30 DJEDRN C=CCC1(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CCC1 ZINC000361467436 336757679 /nfs/dbraw/zinc/75/76/79/336757679.db2.gz VGCGQYDAAXNRHM-AWEZNQCLSA-N 0 0 321.873 4.740 20 30 DJEDRN C[C@H](C1CC1)N(C(=O)CCCC#N)c1cccc(C(F)(F)F)c1 ZINC000361677313 336768337 /nfs/dbraw/zinc/76/83/37/336768337.db2.gz ICWBUTKEDFGYEM-GFCCVEGCSA-N 0 0 324.346 4.531 20 30 DJEDRN C=CC[C@@H]1N(C(=O)c2ccoc2C(F)(F)F)CCCC1(C)C ZINC000362226017 336788608 /nfs/dbraw/zinc/78/86/08/336788608.db2.gz YNHKWQGGWUIFRC-LBPRGKRZSA-N 0 0 315.335 4.505 20 30 DJEDRN C[C@H](NCc1nccs1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000367827982 336830250 /nfs/dbraw/zinc/83/02/50/336830250.db2.gz SBLPWIRQMXAEDY-AWEZNQCLSA-N 0 0 319.433 4.533 20 30 DJEDRN N#Cc1cc(Br)ccc1CSCCC(F)(F)F ZINC000582318583 336917565 /nfs/dbraw/zinc/91/75/65/336917565.db2.gz AEQFAVOGVAVODF-UHFFFAOYSA-N 0 0 324.165 4.506 20 30 DJEDRN CC(C)c1ccc2occ(C(=O)N[C@](C)(C#N)C(C)(C)C)c2c1 ZINC000582444307 337004113 /nfs/dbraw/zinc/00/41/13/337004113.db2.gz YPFCIALPFZRFSC-LJQANCHMSA-N 0 0 312.413 4.614 20 30 DJEDRN CC(C)(C#N)CC(=O)Nc1ccccc1-c1c(F)cccc1F ZINC000376109333 337027301 /nfs/dbraw/zinc/02/73/01/337027301.db2.gz CVCGCRREKUYPLZ-UHFFFAOYSA-N 0 0 314.335 4.510 20 30 DJEDRN COc1ccccc1[C@@H](C)Nc1cccc(OCCCC#N)c1 ZINC000193905746 337079988 /nfs/dbraw/zinc/07/99/88/337079988.db2.gz FERUCGJHAALLAR-OAHLLOKOSA-N 0 0 310.397 4.551 20 30 DJEDRN CC[C@@H](Nc1cccc(OCCCC#N)c1)c1ccccc1OC ZINC000193906622 337081310 /nfs/dbraw/zinc/08/13/10/337081310.db2.gz NJIBJHBGFWJUIZ-LJQANCHMSA-N 0 0 324.424 4.941 20 30 DJEDRN N#CCCCOc1cccc(N[C@H]2CCCc3ccccc32)c1 ZINC000193907487 337081324 /nfs/dbraw/zinc/08/13/24/337081324.db2.gz WCXYGRJGMLYMII-FQEVSTJZSA-N 0 0 306.409 4.859 20 30 DJEDRN C[C@H]([NH2+]Cc1coc2ccccc12)c1ccc(C#N)cc1Cl ZINC000582680404 337122748 /nfs/dbraw/zinc/12/27/48/337122748.db2.gz OYTJLPHOTQDQPG-LBPRGKRZSA-N 0 0 310.784 4.809 20 30 DJEDRN C=C[C@@H]1CCCCN1C(=O)Nc1ccc(-c2ccccc2)c(C)n1 ZINC000582754285 337134069 /nfs/dbraw/zinc/13/40/69/337134069.db2.gz OGRKRJCZDHLDNW-QGZVFWFLSA-N 0 0 321.424 4.629 20 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UPOVUYGGWBPTAS-UHFFFAOYSA-N 0 0 321.511 4.742 20 30 DJEDRN CC[C@](C)(C#N)C(=O)Nc1cccc(CSC(C)C)c1C ZINC000285458895 334148149 /nfs/dbraw/zinc/14/81/49/334148149.db2.gz AFCUXLCVTAYGRU-QGZVFWFLSA-N 0 0 304.459 4.515 20 30 DJEDRN CC[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(F)cc1[O-] ZINC000286026569 334150845 /nfs/dbraw/zinc/15/08/45/334150845.db2.gz JADBWNNUJISOLC-ZWKOTPCHSA-N 0 0 312.388 4.617 20 30 DJEDRN CC[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(F)cc1[O-] ZINC000286026555 334150917 /nfs/dbraw/zinc/15/09/17/334150917.db2.gz JADBWNNUJISOLC-MSOLQXFVSA-N 0 0 312.388 4.617 20 30 DJEDRN CC1(C#N)CCN(C(=O)Nc2cccc(-c3ccccc3)c2)CC1 ZINC000287705792 334158487 /nfs/dbraw/zinc/15/84/87/334158487.db2.gz MUKBDXUGOHJGGQ-UHFFFAOYSA-N 0 0 319.408 4.511 20 30 DJEDRN CC[C@@H](C)Sc1ccc(NC(=O)[C@@](C)(C#N)CC)c(C)c1 ZINC000288671586 334161501 /nfs/dbraw/zinc/16/15/01/334161501.db2.gz SSTWLMAJNUIQRC-CXAGYDPISA-N 0 0 304.459 4.764 20 30 DJEDRN CC(C)(C#N)CCNc1ccc(F)cc1OCCC(F)(F)F ZINC000288678413 334161729 /nfs/dbraw/zinc/16/17/29/334161729.db2.gz ILINOIBUVTXXPO-UHFFFAOYSA-N 0 0 318.314 4.509 20 30 DJEDRN Cc1cc(C)c(NC(=O)CSCCC(C)(C)C#N)c(Cl)c1 ZINC000289383592 334164758 /nfs/dbraw/zinc/16/47/58/334164758.db2.gz KVKYVZYXZKVHNT-UHFFFAOYSA-N 0 0 324.877 4.568 20 30 DJEDRN CCCC[C@@H](C)N(C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000289999675 334170230 /nfs/dbraw/zinc/17/02/30/334170230.db2.gz YAUCRLYVUPNBIS-CQSZACIVSA-N 0 0 301.434 4.530 20 30 DJEDRN Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)CCCC#N ZINC000291781347 334181815 /nfs/dbraw/zinc/18/18/15/334181815.db2.gz WXHZWKYVEXDBFU-MRXNPFEDSA-N 0 0 322.408 4.767 20 30 DJEDRN CC(C)(C#N)CCCSCc1ccn(-c2ccccc2F)n1 ZINC000187524532 334264765 /nfs/dbraw/zinc/26/47/65/334264765.db2.gz MGTLMMSPDQZSSQ-UHFFFAOYSA-N 0 0 317.433 4.575 20 30 DJEDRN C=CCNc1nnc(S[C@@H](C)c2ccc(Cl)cc2)s1 ZINC000048833472 334301526 /nfs/dbraw/zinc/30/15/26/334301526.db2.gz KDHRWWDMPRNEFD-VIFPVBQESA-N 0 0 311.863 4.643 20 30 DJEDRN C=C[C@H](CC(=O)Nc1cccc(OC(F)F)c1)c1ccccc1 ZINC000534638285 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ZINC000521444854 334383606 /nfs/dbraw/zinc/38/36/06/334383606.db2.gz JQEBQIQKSCZXOC-UHFFFAOYSA-N 0 0 315.442 4.626 20 30 DJEDRN N#CCc1ccc(CSCc2cc(F)cc3cccnc32)cc1 ZINC000342571252 334551551 /nfs/dbraw/zinc/55/15/51/334551551.db2.gz OYZGQXWBTYCGRQ-UHFFFAOYSA-N 0 0 322.408 4.873 20 30 DJEDRN C[C@@H](NC(=O)Nc1ccc(CC#N)cc1)c1ccc(C2CC2)cc1 ZINC000416828124 334680970 /nfs/dbraw/zinc/68/09/70/334680970.db2.gz GFHSBZZAVFFLQC-CQSZACIVSA-N 0 0 319.408 4.513 20 30 DJEDRN C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CS[C@H](C)C1 ZINC000417037679 334690406 /nfs/dbraw/zinc/69/04/06/334690406.db2.gz IQXYLSKRAPROMG-UKRRQHHQSA-N 0 0 318.486 4.554 20 30 DJEDRN N#CCc1ccc(C(=O)Nc2ccccc2-c2cccs2)cc1 ZINC000535333071 334714403 /nfs/dbraw/zinc/71/44/03/334714403.db2.gz OBWQBSUFEXEQBL-UHFFFAOYSA-N 0 0 318.401 4.733 20 30 DJEDRN CC(C)(C)C[C@H](NC(=O)c1ccc(CC#N)cc1)c1ccccc1 ZINC000535360179 334718305 /nfs/dbraw/zinc/71/83/05/334718305.db2.gz VMLUCHBPADGXQR-IBGZPJMESA-N 0 0 320.436 4.660 20 30 DJEDRN C=CCC(CC=C)C(=O)N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000532071464 334721320 /nfs/dbraw/zinc/72/13/20/334721320.db2.gz DUPQYHDGAZZYEA-LJQANCHMSA-N 0 0 315.432 4.518 20 30 DJEDRN C=C[C@H](CC(=O)N1CCc2cccc(F)c2[C@H]1C)c1ccccc1 ZINC000535397415 334728416 /nfs/dbraw/zinc/72/84/16/334728416.db2.gz UKHXNPZDMLUVRD-HZPDHXFCSA-N 0 0 323.411 4.631 20 30 DJEDRN C=C[C@H](CC(=O)Nc1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000535475387 334732344 /nfs/dbraw/zinc/73/23/44/334732344.db2.gz MJQORCRYUQWVTA-CYBMUJFWSA-N 0 0 310.784 4.510 20 30 DJEDRN N#CCc1ccc(C(=O)Nc2cccc(-c3cccs3)c2)cc1 ZINC000535464563 334732702 /nfs/dbraw/zinc/73/27/02/334732702.db2.gz SYFIXRWHRVOQGK-UHFFFAOYSA-N 0 0 318.401 4.733 20 30 DJEDRN C=C[C@@H](CC(=O)NC[C@@H](C)c1cccc(C)c1)c1ccccc1 ZINC000535451756 334734124 /nfs/dbraw/zinc/73/41/24/334734124.db2.gz XXWIOZUYKBTLIL-MSOLQXFVSA-N 0 0 307.437 4.575 20 30 DJEDRN CC(C)c1nnc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)s1 ZINC000328745372 334751193 /nfs/dbraw/zinc/75/11/93/334751193.db2.gz ACUPQXTZZHOITG-MELADBBJSA-N 0 0 321.490 4.725 20 30 DJEDRN CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)NC(=O)C2(C)C ZINC000328748039 334751524 /nfs/dbraw/zinc/75/15/24/334751524.db2.gz LWYBEJINHSYTRU-IUODEOHRSA-N 0 0 314.429 4.839 20 30 DJEDRN Cc1c2cccc(C)c2oc1C(=O)Nc1cnc(C)nc1C1CC1 ZINC000328791049 334757337 /nfs/dbraw/zinc/75/73/37/334757337.db2.gz QPVGIAQFSCHHKJ-UHFFFAOYSA-N 0 0 321.380 4.662 20 30 DJEDRN CC(C)(C)c1cnc(CCC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)o1 ZINC000328830522 334758511 /nfs/dbraw/zinc/75/85/11/334758511.db2.gz UYNSLEIIIVBURA-RRFJBIMHSA-N 0 0 318.461 4.830 20 30 DJEDRN CC(C)(C)c1cnc(CCC(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)o1 ZINC000328830528 334758558 /nfs/dbraw/zinc/75/85/58/334758558.db2.gz UYNSLEIIIVBURA-SOUVJXGZSA-N 0 0 318.461 4.830 20 30 DJEDRN C[C@H]1C[C@H](C(=O)Nc2nc3ccc(Cl)cc3s2)CCC1=O ZINC000328869823 334762365 /nfs/dbraw/zinc/76/23/65/334762365.db2.gz CZUOSCHUODDANA-DTWKUNHWSA-N 0 0 322.817 4.543 20 30 DJEDRN Cc1cc([C@H](C)NC(=O)Nc2scnc2C2CC2)c(C)s1 ZINC000328911710 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Cc1csc(-c2cccc(NCc3ccc(C#N)c(C)c3)c2)n1 ZINC000444000925 338466564 /nfs/dbraw/zinc/46/65/64/338466564.db2.gz AKAPVXSHEZVQNR-UHFFFAOYSA-N 0 0 319.433 4.911 20 30 DJEDRN C[C@@H](NCc1ccc(C2CC2)cc1F)c1ccc(C#N)cc1F ZINC000425954717 334820492 /nfs/dbraw/zinc/82/04/92/334820492.db2.gz WTOUYVCUEIPCMV-GFCCVEGCSA-N 0 0 312.363 4.565 20 30 DJEDRN CCO[C@@H](C)c1ncc(C(=O)NC2CCC(CC)CC2)s1 ZINC000330906206 334821184 /nfs/dbraw/zinc/82/11/84/334821184.db2.gz DNYZWDOZXVCGHZ-HIFPTAJRSA-N 0 0 310.463 4.514 20 30 DJEDRN Cc1ccc(C(=O)N[C@@H](C#N)C2CCCCC2)c(F)c1Cl ZINC000331321931 334853813 /nfs/dbraw/zinc/85/38/13/334853813.db2.gz CMDYTGBCWFCAQG-ZDUSSCGKSA-N 0 0 308.784 4.565 20 30 DJEDRN N#Cc1cc(Cl)ccc1N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000160581296 334876139 /nfs/dbraw/zinc/87/61/39/334876139.db2.gz OAIDBUBJZGBKNM-AEFFLSMTSA-N 0 0 312.800 4.544 20 30 DJEDRN N#Cc1cc(Cl)ccc1N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000160581442 334876207 /nfs/dbraw/zinc/87/62/07/334876207.db2.gz OAIDBUBJZGBKNM-SJLPKXTDSA-N 0 0 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CCC(CC)CC(=O)N(Cc1ccco1)c1ccccc1C#N ZINC000469132622 339281075 /nfs/dbraw/zinc/28/10/75/339281075.db2.gz JCBSFDFQNJZQCC-UHFFFAOYSA-N 0 0 310.397 4.511 20 30 DJEDRN C=CCC[C@@H](NC(=O)N(C)c1ccc(F)cc1)c1ccccc1 ZINC000469176952 339282149 /nfs/dbraw/zinc/28/21/49/339282149.db2.gz QHERCKJKLAOVBX-GOSISDBHSA-N 0 0 312.388 4.679 20 30 DJEDRN Cc1ccc(Oc2ccccc2NC(=O)CC(C)(C)C#N)cc1 ZINC000469503505 339291890 /nfs/dbraw/zinc/29/18/90/339291890.db2.gz PMNZYUMCLBSCEV-UHFFFAOYSA-N 0 0 308.381 4.666 20 30 DJEDRN C=CCCCCCN(C)C(=O)C[C@@H](C)Cc1cccc(F)c1 ZINC000469672602 339295263 /nfs/dbraw/zinc/29/52/63/339295263.db2.gz CHCBZFDBVPHDTM-INIZCTEOSA-N 0 0 305.437 4.599 20 30 DJEDRN CCN(CCC#N)[C@H](C)c1ccc(-c2cccc(OC)c2)cc1 ZINC000470170198 339312543 /nfs/dbraw/zinc/31/25/43/339312543.db2.gz QFVHNRYYEKOIAD-MRXNPFEDSA-N 0 0 308.425 4.659 20 30 DJEDRN Cc1scc(C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)c1C ZINC000470190393 339313486 /nfs/dbraw/zinc/31/34/86/339313486.db2.gz MAKSXIVVCIPFDL-UHFFFAOYSA-N 0 0 318.486 4.593 20 30 DJEDRN C=C(C)C[C@@H](C)C(=O)N[C@H](CC(F)(F)F)c1ccccc1C ZINC000470287826 339316142 /nfs/dbraw/zinc/31/61/42/339316142.db2.gz NLUFERKRAVYZNI-UKRRQHHQSA-N 0 0 313.363 4.707 20 30 DJEDRN C=C(C)C[C@H](C)C(=O)N[C@H](CC(F)(F)F)c1ccccc1C ZINC000470287822 339316277 /nfs/dbraw/zinc/31/62/77/339316277.db2.gz NLUFERKRAVYZNI-DZGCQCFKSA-N 0 0 313.363 4.707 20 30 DJEDRN Cc1cc(C#N)ccc1C(=O)Nc1ccc(-c2ccco2)cc1F ZINC000470541379 339321718 /nfs/dbraw/zinc/32/17/18/339321718.db2.gz HHWDBLIVIHPYDN-UHFFFAOYSA-N 0 0 320.323 4.518 20 30 DJEDRN C=C(C)C[C@@H](C)C(=O)N1CCC(C)(c2ccc(Cl)cc2)CC1 ZINC000470689812 339324930 /nfs/dbraw/zinc/32/49/30/339324930.db2.gz NTBNILJCFCHVBE-OAHLLOKOSA-N 0 0 319.876 4.822 20 30 DJEDRN CCC(C)(C)N(CCC#N)C(=O)[C@H](C)CCCc1ccccc1 ZINC000471172820 339339598 /nfs/dbraw/zinc/33/95/98/339339598.db2.gz MWSDYGXESDXIGU-QGZVFWFLSA-N 0 0 314.473 4.576 20 30 DJEDRN CCN(CCC#N)Cc1csc(-c2ccc(C(C)C)cc2)n1 ZINC000471199859 339340049 /nfs/dbraw/zinc/34/00/49/339340049.db2.gz SPGRXXCHUVBXOA-UHFFFAOYSA-N 0 0 313.470 4.669 20 30 DJEDRN C[C@@H](C(=O)Nc1cccc(C#N)c1)c1ccc(Cl)c(Cl)c1 ZINC000471285018 339341903 /nfs/dbraw/zinc/34/19/03/339341903.db2.gz CERFKDDYEMFVLU-SNVBAGLBSA-N 0 0 319.191 4.607 20 30 DJEDRN C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(OC)cc1C ZINC000471288536 339341999 /nfs/dbraw/zinc/34/19/99/339341999.db2.gz SAVZFFSIBPCTCT-UHFFFAOYSA-N 0 0 324.424 4.614 20 30 DJEDRN C=C(C)CN(Cc1ccccc1)C(=O)N[C@H](C)c1cccs1 ZINC000471500890 339346204 /nfs/dbraw/zinc/34/62/04/339346204.db2.gz PHJOIMIJHLRDJJ-OAHLLOKOSA-N 0 0 314.454 4.597 20 30 DJEDRN C=CCC(CC=C)C(=O)NC(C)(C)c1cccc(Cl)c1F ZINC000471624328 339349936 /nfs/dbraw/zinc/34/99/36/339349936.db2.gz BZFGOBALBKYWTE-UHFFFAOYSA-N 0 0 309.812 4.599 20 30 DJEDRN C=CCCCCNC(=O)C[C@@H](C)c1ccccc1C(F)(F)F ZINC000471707807 339351775 /nfs/dbraw/zinc/35/17/75/339351775.db2.gz ZAPCRQYSBRFVEY-CYBMUJFWSA-N 0 0 313.363 4.672 20 30 DJEDRN CCC(C)(C)NC(=O)Nc1ccc(Oc2ccccc2C#N)cc1 ZINC000472700576 339376317 /nfs/dbraw/zinc/37/63/17/339376317.db2.gz DMDOZRVIYGZQJG-UHFFFAOYSA-N 0 0 323.396 4.661 20 30 DJEDRN C=CCCCCNC(=O)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000472836458 339378351 /nfs/dbraw/zinc/37/83/51/339378351.db2.gz PDCGWLLRUCGLAC-INIZCTEOSA-N 0 0 306.837 4.543 20 30 DJEDRN C=CCCCCNC(=O)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000472836459 339378398 /nfs/dbraw/zinc/37/83/98/339378398.db2.gz PDCGWLLRUCGLAC-MRXNPFEDSA-N 0 0 306.837 4.543 20 30 DJEDRN CCC1(CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)CCCC1 ZINC000473761662 339391355 /nfs/dbraw/zinc/39/13/55/339391355.db2.gz NDHKQWSRMJCYEM-UHFFFAOYSA-N 0 0 313.445 4.580 20 30 DJEDRN Cc1ccc(C#N)cc1NC(=O)N1CCCC[C@H]1CCC(C)C ZINC000473784806 339391972 /nfs/dbraw/zinc/39/19/72/339391972.db2.gz JBBVGVQENYHYQP-KRWDZBQOSA-N 0 0 313.445 4.689 20 30 DJEDRN C=C(C)CN(C)C(=O)c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000474160718 339405092 /nfs/dbraw/zinc/40/50/92/339405092.db2.gz SBEKWWRQYQZDQH-UHFFFAOYSA-N 0 0 323.314 4.614 20 30 DJEDRN C=CCCC1(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000474190138 339405732 /nfs/dbraw/zinc/40/57/32/339405732.db2.gz PMDMJFODYWGUNM-LBPRGKRZSA-N 0 0 311.347 4.629 20 30 DJEDRN N#CC[C@@H](CC(=O)Nc1cccc(Cl)c1F)c1ccccc1 ZINC000474285857 339408666 /nfs/dbraw/zinc/40/86/66/339408666.db2.gz BNZCXVQMXUXLRR-ZDUSSCGKSA-N 0 0 316.763 4.505 20 30 DJEDRN CC(C)c1ccc(CNC(=O)C[C@@H](CC#N)c2ccccc2)cc1 ZINC000474689805 339422560 /nfs/dbraw/zinc/42/25/60/339422560.db2.gz RBPDNJCNDYCOHN-HXUWFJFHSA-N 0 0 320.436 4.514 20 30 DJEDRN Cc1ccc(C)c([C@@H]2CCCN2c2ncc(C#N)cc2Cl)c1 ZINC000474777072 339425666 /nfs/dbraw/zinc/42/56/66/339425666.db2.gz VRBSZKWAWSIVLU-KRWDZBQOSA-N 0 0 311.816 4.565 20 30 DJEDRN CCCCN(CCCC)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000474892365 339430161 /nfs/dbraw/zinc/43/01/61/339430161.db2.gz IWWCVKWSNIWHQN-SFHVURJKSA-N 0 0 300.446 4.503 20 30 DJEDRN CC[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc(OCCCC#N)c1 ZINC000474962345 339433564 /nfs/dbraw/zinc/43/35/64/339433564.db2.gz CBMAWGQGGOMDRR-QAPCUYQASA-N 0 0 314.429 4.524 20 30 DJEDRN N#CC[C@@H](CC(=O)N(CC1CCCCC1)C1CC1)c1ccccc1 ZINC000475014648 339435174 /nfs/dbraw/zinc/43/51/74/339435174.db2.gz IPZTUKWKCOBDQD-IBGZPJMESA-N 0 0 324.468 4.645 20 30 DJEDRN CCc1cccc(CC)c1NC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000475029152 339435863 /nfs/dbraw/zinc/43/58/63/339435863.db2.gz NAWYODIDYFOZCB-LJQANCHMSA-N 0 0 320.436 4.837 20 30 DJEDRN CC(C)c1cccc(N(C)C(=O)C[C@@H](CC#N)c2ccccc2)c1 ZINC000475169921 339440558 /nfs/dbraw/zinc/44/05/58/339440558.db2.gz FPDDPKDVRHDWSM-LJQANCHMSA-N 0 0 320.436 4.860 20 30 DJEDRN CCC[C@@H](Nc1cnc(C#N)cn1)c1ccc(Cl)c(Cl)c1 ZINC000475494354 339452628 /nfs/dbraw/zinc/45/26/28/339452628.db2.gz AWTRSTANNBOPKU-CQSZACIVSA-N 0 0 321.211 4.608 20 30 DJEDRN CC(C)(C#N)c1ccc(C(=O)N2CCC3(CCCCC3)CC2)cc1 ZINC000475535218 339454396 /nfs/dbraw/zinc/45/43/96/339454396.db2.gz FSPHTGWESIASGV-UHFFFAOYSA-N 0 0 324.468 4.674 20 30 DJEDRN Cc1c(Cl)cccc1-n1ccnc1SCCCCC#N ZINC000475748618 339461425 /nfs/dbraw/zinc/46/14/25/339461425.db2.gz PAPGNLDINYSFDV-UHFFFAOYSA-N 0 0 305.834 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C=CCCC(=O)Nc1ccc(-c2cccc(C(F)(F)F)c2)cn1 ZINC000440046279 338382925 /nfs/dbraw/zinc/38/29/25/338382925.db2.gz XRKSCWFMABQRDG-UHFFFAOYSA-N 0 0 320.314 4.672 20 30 DJEDRN COc1cc(CNc2ccccc2SC(C)C)ccc1C#N ZINC000440632530 338393358 /nfs/dbraw/zinc/39/33/58/338393358.db2.gz DGAPLCUTWYOHPL-UHFFFAOYSA-N 0 0 312.438 4.679 20 30 DJEDRN Cc1cc(NCC2CCC(C#N)CC2)c2ccc(F)c(F)c2n1 ZINC000440655522 338394497 /nfs/dbraw/zinc/39/44/97/338394497.db2.gz WFCIUXPMKKURSA-UHFFFAOYSA-N 0 0 315.367 4.563 20 30 DJEDRN C[C@@H](Nc1ccc(Oc2ccccn2)cc1)c1cccc(C#N)c1 ZINC000442791581 338431769 /nfs/dbraw/zinc/43/17/69/338431769.db2.gz JULJPRBHWQGKFC-OAHLLOKOSA-N 0 0 315.376 4.919 20 30 DJEDRN C=CCCCNC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl ZINC000442794817 338431983 /nfs/dbraw/zinc/43/19/83/338431983.db2.gz DPRGQUTUDLJEBQ-UHFFFAOYSA-N 0 0 323.223 4.685 20 30 DJEDRN N#C[C@@H]1CC[C@@H](Nc2ccccc2COCc2ccccc2)C1 ZINC000442867386 338436311 /nfs/dbraw/zinc/43/63/11/338436311.db2.gz OHDOPZHYKBPJCB-IEBWSBKVSA-N 0 0 306.409 4.508 20 30 DJEDRN C=CCCCCCSc1nnc(Cc2ccccc2OC)o1 ZINC000447301968 338548698 /nfs/dbraw/zinc/54/86/98/338548698.db2.gz CCUABAOLIFKJKF-UHFFFAOYSA-N 0 0 318.442 4.508 20 30 DJEDRN C=CCN(Cc1cccs1)C(=O)CCCc1sccc1C ZINC000160399379 338549427 /nfs/dbraw/zinc/54/94/27/338549427.db2.gz FRONNXLRCBIRSH-UHFFFAOYSA-N 0 0 319.495 4.656 20 30 DJEDRN C[C@@H]1C[C@H](COc2ccc(Oc3ccc(C#N)cc3)cc2)CCO1 ZINC000447328342 338549816 /nfs/dbraw/zinc/54/98/16/338549816.db2.gz YPCHUIFILKCVBD-NVXWUHKLSA-N 0 0 323.392 4.544 20 30 DJEDRN CC[C@@H](Nc1ccc(SC)cc1OC)c1ccc(C#N)cc1 ZINC000447571187 338557760 /nfs/dbraw/zinc/55/77/60/338557760.db2.gz IURFOINUXJOPRQ-MRXNPFEDSA-N 0 0 312.438 4.852 20 30 DJEDRN N#C[C@@H]1CCC[C@H](Nc2ccccc2COCc2ccccc2)C1 ZINC000447583614 338559207 /nfs/dbraw/zinc/55/92/07/338559207.db2.gz BULPYDGRURDDQF-QUCCMNQESA-N 0 0 320.436 4.898 20 30 DJEDRN CC[C@H](Nc1ccccc1OCC(F)F)c1ccc(C#N)cc1 ZINC000447586822 338559632 /nfs/dbraw/zinc/55/96/32/338559632.db2.gz OYKXFZUHSZXAKF-HNNXBMFYSA-N 0 0 316.351 4.765 20 30 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CC(=O)Nc1ccc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1 ZINC000329778501 336080812 /nfs/dbraw/zinc/08/08/12/336080812.db2.gz QCTPWFDJDXCQOX-JJRVBVJISA-N 0 0 315.417 4.589 20 30 DJEDRN C[C@H]1CCC[C@H](C(=O)Nc2csc(-c3ccncc3)n2)C1 ZINC000329810722 336084795 /nfs/dbraw/zinc/08/47/95/336084795.db2.gz MNSWFIQENDQJRX-AAEUAGOBSA-N 0 0 301.415 4.619 20 30 DJEDRN C[C@H](CC(=O)NCc1nnc(C(C)(C)C)s1)C1CCCCC1 ZINC000329811932 336084924 /nfs/dbraw/zinc/08/49/24/336084924.db2.gz CBXHCEMYZATOAD-GFCCVEGCSA-N 0 0 323.506 4.899 20 30 DJEDRN C[C@H](CC1CCCC1)C(=O)NCc1nnc(C(C)(C)C)s1 ZINC000329823789 336086729 /nfs/dbraw/zinc/08/67/29/336086729.db2.gz ZRYCEEBGEJOHKM-LLVKDONJSA-N 0 0 309.479 4.509 20 30 DJEDRN CC(=O)Nc1cccc(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c1C ZINC000329852257 336089366 /nfs/dbraw/zinc/08/93/66/336089366.db2.gz UOWHNRKRETVAPR-ARFHVFGLSA-N 0 0 314.429 4.876 20 30 DJEDRN CCC[C@H](CC1CCCCC1)C(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000329860467 336090075 /nfs/dbraw/zinc/09/00/75/336090075.db2.gz 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312.457 4.754 20 30 DJEDRN N#CCCC[C@H](NC(=O)CCCc1ccccc1)c1ccccc1 ZINC000352219708 336203819 /nfs/dbraw/zinc/20/38/19/336203819.db2.gz RSIXLDPSXXWIIH-FQEVSTJZSA-N 0 0 320.436 4.561 20 30 DJEDRN Cc1cc2ccccc2c(NC(=O)[C@]2(C#N)CC23CCCC3)c1 ZINC000333870765 336211479 /nfs/dbraw/zinc/21/14/79/336211479.db2.gz PFLGOQAUNRKBFB-HXUWFJFHSA-N 0 0 304.393 4.561 20 30 DJEDRN C=CCc1cccc(C(C)C)c1NCc1csc(COC)n1 ZINC000352562546 336224709 /nfs/dbraw/zinc/22/47/09/336224709.db2.gz KHNKKOUDSZQFIB-UHFFFAOYSA-N 0 0 316.470 4.754 20 30 DJEDRN CC(C)(C)CCCC(=O)Nc1cccc(OCCCC#N)c1 ZINC000103382540 336241177 /nfs/dbraw/zinc/24/11/77/336241177.db2.gz HNWAXCZTWHTPMN-UHFFFAOYSA-N 0 0 302.418 4.524 20 30 DJEDRN Cc1ccc(N[C@@H](C)c2cccc(C#N)c2)cc1Br ZINC000104058164 336245017 /nfs/dbraw/zinc/24/50/17/336245017.db2.gz NRAVWQIHVXHTOG-LBPRGKRZSA-N 0 0 315.214 4.802 20 30 DJEDRN C[C@H](NC(=O)Nc1ccccc1C(C)(C)C)c1ccc(C#N)cc1 ZINC000043314167 336254237 /nfs/dbraw/zinc/25/42/37/336254237.db2.gz GBOCUVLIKOTXQM-AWEZNQCLSA-N 0 0 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C[C@H](Nc1ccc(C#N)c(Cl)c1)c1ccccc1-n1cccn1 ZINC000301646014 336320554 /nfs/dbraw/zinc/32/05/54/336320554.db2.gz NSIPMGIJBZSWIM-ZDUSSCGKSA-N 0 0 322.799 4.570 20 30 DJEDRN CCOCCC1(CNc2c(C#N)cnc3ccccc32)CCCC1 ZINC000301649433 336320579 /nfs/dbraw/zinc/32/05/79/336320579.db2.gz JATZGTZELHPZCY-UHFFFAOYSA-N 0 0 323.440 4.505 20 30 DJEDRN Cc1cc(C)n(-c2ccc([C@H](C)Nc3ccc(C#N)cc3)cc2)n1 ZINC000301679642 336323031 /nfs/dbraw/zinc/32/30/31/336323031.db2.gz RLOPHGPEYCPPRV-INIZCTEOSA-N 0 0 316.408 4.534 20 30 DJEDRN N#CCC[C@H](Nc1nc(-c2ccccc2)ns1)c1ccccc1 ZINC000301775623 336328964 /nfs/dbraw/zinc/32/89/64/336328964.db2.gz HHSMXCNJOHQOCJ-INIZCTEOSA-N 0 0 320.421 4.662 20 30 DJEDRN N#CCC[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000301812615 336331711 /nfs/dbraw/zinc/33/17/11/336331711.db2.gz YNKNYHJHZDLJNP-AWEZNQCLSA-N 0 0 315.760 4.705 20 30 DJEDRN CC[C@H](Nc1ccc2cc(C#N)ccc2n1)c1ccc(OC)cc1 ZINC000301813676 336331810 /nfs/dbraw/zinc/33/18/10/336331810.db2.gz ICNKROJSYDFOFL-SFHVURJKSA-N 0 0 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C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000436442415 338272507 /nfs/dbraw/zinc/27/25/07/338272507.db2.gz OODDYZZOHLVJIZ-WMLDXEAASA-N 0 0 305.849 4.996 20 30 DJEDRN C=CC[C@H](C(=O)N[C@H]1C[C@H](c2cccc(F)c2)C1)c1ccccc1 ZINC000437438201 338310183 /nfs/dbraw/zinc/31/01/83/338310183.db2.gz IQELFBGRNQMCNF-IHPCNDPISA-N 0 0 323.411 4.548 20 30 DJEDRN N#Cc1ccccc1Oc1ccc(NC(=O)CC2CCC2)cc1F ZINC000437460895 338310829 /nfs/dbraw/zinc/31/08/29/338310829.db2.gz SLCCENJPUQROMF-UHFFFAOYSA-N 0 0 324.355 4.618 20 30 DJEDRN Cc1cccc([C@@H]2CCCCCN2C(=O)c2cc(C#N)cs2)c1 ZINC000437565330 338313531 /nfs/dbraw/zinc/31/35/31/338313531.db2.gz CIUXUCKEFMLZKG-KRWDZBQOSA-N 0 0 324.449 4.686 20 30 DJEDRN Cc1cccc([C@H]2CCCCCN2C(=O)c2cc(C#N)cs2)c1 ZINC000437565331 338313574 /nfs/dbraw/zinc/31/35/74/338313574.db2.gz CIUXUCKEFMLZKG-QGZVFWFLSA-N 0 0 324.449 4.686 20 30 DJEDRN N#Cc1csc(C(=O)N(Cc2ccccc2)C2CCCCC2)c1 ZINC000437667161 338317734 /nfs/dbraw/zinc/31/77/34/338317734.db2.gz OBMXXLTWLHATHF-UHFFFAOYSA-N 0 0 324.449 4.595 20 30 DJEDRN C=CCCCN(C)C(=O)[C@H](CC)c1cccc(C(F)(F)F)c1 ZINC000437695353 338318603 /nfs/dbraw/zinc/31/86/03/338318603.db2.gz PBBOOEHULHUXDH-OAHLLOKOSA-N 0 0 313.363 4.624 20 30 DJEDRN Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)c2cc(C#N)cs2)cc1 ZINC000437705940 338318948 /nfs/dbraw/zinc/31/89/48/338318948.db2.gz VKMWITQESOURFM-KSSFIOAISA-N 0 0 324.449 4.542 20 30 DJEDRN C=CC[C@@H](C)NC(=O)Nc1cccc(Cl)c1SC(C)C ZINC000438256678 338337970 /nfs/dbraw/zinc/33/79/70/338337970.db2.gz VRZDMWAXJORUGZ-LLVKDONJSA-N 0 0 312.866 4.927 20 30 DJEDRN CC(C)CCC[C@@H](C)NC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000438840139 338353421 /nfs/dbraw/zinc/35/34/21/338353421.db2.gz MVYOMDGCJJTNOE-SJLPKXTDSA-N 0 0 315.461 4.545 20 30 DJEDRN C[C@@H](C#N)C(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1 ZINC000439016038 338358456 /nfs/dbraw/zinc/35/84/56/338358456.db2.gz WJXDAUWEUSDPIS-KBPBESRZSA-N 0 0 310.422 4.638 20 30 DJEDRN Cc1cc(C#N)ccc1C(=O)Nc1ccccc1-c1cccs1 ZINC000439069592 338360284 /nfs/dbraw/zinc/36/02/84/338360284.db2.gz 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N#C[C@H]1CC[C@@H](Nc2cccc(OCc3cccc(F)c3)c2)C1 ZINC000442871089 338436675 /nfs/dbraw/zinc/43/66/75/338436675.db2.gz HANHPTYPJJKNCX-KBXCAEBGSA-N 0 0 310.372 4.509 20 30 DJEDRN CCC1(CC)CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC000446955242 338541871 /nfs/dbraw/zinc/54/18/71/338541871.db2.gz YPWJKPZKSFUZST-UHFFFAOYSA-N 0 0 313.445 4.532 20 30 DJEDRN N#Cc1ccc(CNC2(c3c(Cl)cccc3Cl)CCC2)o1 ZINC000447054344 338543677 /nfs/dbraw/zinc/54/36/77/338543677.db2.gz MVONEPYJHSZZHJ-UHFFFAOYSA-N 0 0 321.207 4.627 20 30 DJEDRN C[C@@H]1C[C@H](CSc2nc(-c3ccccc3)ccc2C#N)CCO1 ZINC000447299512 338548539 /nfs/dbraw/zinc/54/85/39/338548539.db2.gz RIEYCVRKJDNFGN-HUUCEWRRSA-N 0 0 324.449 4.527 20 30 DJEDRN Cc1cc(COc2ccccc2-c2nccs2)ccc1C#N ZINC000447328326 338549792 /nfs/dbraw/zinc/54/97/92/338549792.db2.gz YGUDEUHPABFELF-UHFFFAOYSA-N 0 0 306.390 4.569 20 30 DJEDRN N#C[C@H]1CCC[C@H](Nc2ccccc2COCc2ccccc2)C1 ZINC000447583613 338559200 /nfs/dbraw/zinc/55/92/00/338559200.db2.gz BULPYDGRURDDQF-ICSRJNTNSA-N 0 0 320.436 4.898 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DJEDRN C=CCC1(C(=O)NCc2cccc(-c3cccnc3)c2)CCCC1 ZINC000450641459 338695465 /nfs/dbraw/zinc/69/54/65/338695465.db2.gz BFODENZAVOSUAF-UHFFFAOYSA-N 0 0 320.436 4.501 20 30 DJEDRN C=CCc1cccc(C(C)C)c1NC(=O)CC1CC(F)(F)C1 ZINC000451329777 338729702 /nfs/dbraw/zinc/72/97/02/338729702.db2.gz KTWHQOHWRPBIED-UHFFFAOYSA-N 0 0 307.384 4.912 20 30 DJEDRN C=CCc1cccc(C(C)C)c1NC(=O)c1cc2c([nH]1)CCCC2 ZINC000451329787 338729743 /nfs/dbraw/zinc/72/97/43/338729743.db2.gz KVVSPKKRKPWZLN-UHFFFAOYSA-N 0 0 322.452 4.998 20 30 DJEDRN C=CC[C@@H](CC)NC(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000451621541 338740574 /nfs/dbraw/zinc/74/05/74/338740574.db2.gz BYUTZPRORZSHDO-SECBINFHSA-N 0 0 306.620 4.731 20 30 DJEDRN N#CCC[C@H](NC(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000163554081 338755598 /nfs/dbraw/zinc/75/55/98/338755598.db2.gz GVQRLLIWLPHCQL-INIZCTEOSA-N 0 0 313.788 4.507 20 30 DJEDRN CCC[C@H]1CCC[C@@H]1C(=O)Nc1ccc(CC#N)cc1Cl ZINC000452649858 338774035 /nfs/dbraw/zinc/77/40/35/338774035.db2.gz ULPQRRQLWGIBNF-KBPBESRZSA-N 0 0 304.821 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C=CC[C@H](C(=O)Nc1ccc(Cl)c(C#N)c1)c1ccccc1 ZINC000487810963 339763578 /nfs/dbraw/zinc/76/35/78/339763578.db2.gz IMTWUTDLXNLVOT-INIZCTEOSA-N 0 0 310.784 4.510 20 30 DJEDRN C=C[C@@H]1CCCCN1C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000487927562 339766090 /nfs/dbraw/zinc/76/60/90/339766090.db2.gz TXJHOCNSHJKNNX-MRXNPFEDSA-N 0 0 314.429 4.580 20 30 DJEDRN C=CCC[C@@H](C(=O)Nc1ccc(N(C)C)cc1C)c1ccccc1 ZINC000488629032 339789594 /nfs/dbraw/zinc/78/95/94/339789594.db2.gz ZJDNGTYHKHCQCQ-LJQANCHMSA-N 0 0 322.452 4.750 20 30 DJEDRN C=CCOc1cccc(NC(=O)[C@H](CC=C)c2ccccc2)c1 ZINC000488723567 339791374 /nfs/dbraw/zinc/79/13/74/339791374.db2.gz WTNAOGMDOFDDKD-LJQANCHMSA-N 0 0 307.393 4.550 20 30 DJEDRN C=C[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000488834492 339794720 /nfs/dbraw/zinc/79/47/20/339794720.db2.gz XKBRPCZHFNFVPX-LLVKDONJSA-N 0 0 317.738 4.540 20 30 DJEDRN C=C[C@@H]1CCCCN1C(=O)CCCCCO[C@@H]1CCC[C@H](C)C1 ZINC000488879952 339795908 /nfs/dbraw/zinc/79/59/08/339795908.db2.gz PRHQYRYRNDJFBP-IPMKNSEASA-N 0 0 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338021724 /nfs/dbraw/zinc/02/17/24/338021724.db2.gz ITTXWCGTBNXNSV-CYBMUJFWSA-N 0 0 319.836 4.644 20 30 DJEDRN Cc1c2cc(C#N)ccc2sc1-c1nc([C@@H](C)C2CC2)no1 ZINC000426455180 338032557 /nfs/dbraw/zinc/03/25/57/338032557.db2.gz BFTXPIFTTMJPSO-VIFPVBQESA-N 0 0 309.394 4.645 20 30 DJEDRN C[C@H](NCc1cccc(F)c1C#N)c1cc(Cl)ccc1Cl ZINC000428294493 338046002 /nfs/dbraw/zinc/04/60/02/338046002.db2.gz MJCIEARDIIDJEA-JTQLQIEISA-N 0 0 323.198 4.855 20 30 DJEDRN C[C@H](NCc1cccc(F)c1C#N)c1ccc(Cl)c(Cl)c1 ZINC000428311314 338046653 /nfs/dbraw/zinc/04/66/53/338046653.db2.gz QLJGILXGRPRLMK-JTQLQIEISA-N 0 0 323.198 4.855 20 30 DJEDRN Cc1c2ccccc2oc1[C@H](C)NCc1cccc(F)c1C#N ZINC000428326944 338047322 /nfs/dbraw/zinc/04/73/22/338047322.db2.gz QVUNCYYAMDSHGK-ZDUSSCGKSA-N 0 0 308.356 4.603 20 30 DJEDRN C[C@H](NCc1cccc(F)c1C#N)c1cc2ccccc2s1 ZINC000428352339 338048407 /nfs/dbraw/zinc/04/84/07/338048407.db2.gz KOMKALBAMPHJMI-LBPRGKRZSA-N 0 0 310.397 4.763 20 30 DJEDRN CC(C)(C)[C@H](NCc1cccc(F)c1C#N)c1ccc(F)cc1 ZINC000428379150 338049688 /nfs/dbraw/zinc/04/96/88/338049688.db2.gz BKTMHVMQRMECTQ-GOSISDBHSA-N 0 0 314.379 4.713 20 30 DJEDRN C=CCN(C)Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000428388355 338049885 /nfs/dbraw/zinc/04/98/85/338049885.db2.gz IIZWSISEALXEBG-UHFFFAOYSA-N 0 0 313.253 4.735 20 30 DJEDRN Cc1ncccc1CNc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000428405026 338050348 /nfs/dbraw/zinc/05/03/48/338050348.db2.gz MVTMWCMXHWXVKC-UHFFFAOYSA-N 0 0 315.376 4.666 20 30 DJEDRN CCN(CCC#N)C(=O)Nc1ccc(Oc2ccc(C)cc2)cc1 ZINC000429035499 338069623 /nfs/dbraw/zinc/06/96/23/338069623.db2.gz NUGUKEITZGFOST-UHFFFAOYSA-N 0 0 323.396 4.555 20 30 DJEDRN CCc1c(C)sc(NC(=O)c2ccc(Cl)cc2C)c1C#N ZINC000429207875 338073153 /nfs/dbraw/zinc/07/31/53/338073153.db2.gz QHOOECVZNZURRT-UHFFFAOYSA-N 0 0 318.829 4.705 20 30 DJEDRN CC(C)(C#N)CC(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 ZINC000429669152 338086959 /nfs/dbraw/zinc/08/69/59/338086959.db2.gz SZMLAEYYPMGPSK-UHFFFAOYSA-N 0 0 318.376 4.978 20 30 DJEDRN Cc1c2cc(C#N)ccc2sc1C(=O)Nc1ccc(F)cc1C ZINC000429920403 338092055 /nfs/dbraw/zinc/09/20/55/338092055.db2.gz GEQHBKRYSIUZEY-UHFFFAOYSA-N 0 0 324.380 4.781 20 30 DJEDRN C=CCC(C)(C)C(=O)N[C@@H](C)c1cc2cccc(OCC)c2o1 ZINC000429920546 338092101 /nfs/dbraw/zinc/09/21/01/338092101.db2.gz IBLFDVQIRQFPND-ZDUSSCGKSA-N 0 0 315.413 4.611 20 30 DJEDRN C=CCN(C(=O)c1cccc(C(F)(F)F)c1F)c1ccccc1 ZINC000429925338 338092130 /nfs/dbraw/zinc/09/21/30/338092130.db2.gz OMEZWEFLWVWIKA-UHFFFAOYSA-N 0 0 323.289 4.677 20 30 DJEDRN C=CCN(CCC#N)C/C(C)=C/c1ccccc1C(F)(F)F ZINC000430091032 338095902 /nfs/dbraw/zinc/09/59/02/338095902.db2.gz QFNCVIOOJUEOGB-WYMLVPIESA-N 0 0 308.347 4.510 20 30 DJEDRN CC(C)(C)c1cnc([C@H](C#N)C(=O)c2cccc(Cl)c2)s1 ZINC000430588902 338109355 /nfs/dbraw/zinc/10/93/55/338109355.db2.gz BBHFDTCBUKGLMV-GFCCVEGCSA-N 0 0 318.829 4.584 20 30 DJEDRN CC(C)(C)c1cnc(C(C#N)=C([O-])c2coc3ccccc32)s1 ZINC000430628257 338109978 /nfs/dbraw/zinc/10/99/78/338109978.db2.gz VEFRNDSGNYOTTR-LBPRGKRZSA-N 0 0 324.405 4.677 20 30 DJEDRN CCn1c2cc(F)ccc2nc1-c1ccc(F)c(C#N)c1Cl ZINC000430897625 338118439 /nfs/dbraw/zinc/11/84/39/338118439.db2.gz OYJBLYDPAKVLGX-UHFFFAOYSA-N 0 0 317.726 4.526 20 30 DJEDRN Cc1csc2ncnc(N[C@H](CCCC#N)c3ccccc3)c12 ZINC000431143882 338124067 /nfs/dbraw/zinc/12/40/67/338124067.db2.gz OOHAFJVJHKKTDX-OAHLLOKOSA-N 0 0 322.437 4.847 20 30 DJEDRN C=C(C)C[C@@H](C)C(=O)Nc1c2c(ccc1Cl)CC(C)(C)O2 ZINC000431221368 338126205 /nfs/dbraw/zinc/12/62/05/338126205.db2.gz JGNLTAOCIAWNSY-LLVKDONJSA-N 0 0 307.821 4.594 20 30 DJEDRN Cc1ccc([N+](=O)[O-])c(N[C@@H](CCCC#N)c2ccccc2)c1 ZINC000431495703 338132441 /nfs/dbraw/zinc/13/24/41/338132441.db2.gz RBCXJNMJJYFNGD-INIZCTEOSA-N 0 0 309.369 4.750 20 30 DJEDRN Cc1cccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)c1 ZINC000431690974 338136564 /nfs/dbraw/zinc/13/65/64/338136564.db2.gz ILNFTQGLHULRGN-GOSISDBHSA-N 0 0 307.397 4.552 20 30 DJEDRN Cc1ccccc1NC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000431695858 338136647 /nfs/dbraw/zinc/13/66/47/338136647.db2.gz KMERPUMHDLWQSC-SFHVURJKSA-N 0 0 307.397 4.552 20 30 DJEDRN CC[C@H](NC(=O)N[C@H](CCCC#N)c1ccccc1)C(C)(C)C ZINC000431924235 338142046 /nfs/dbraw/zinc/14/20/46/338142046.db2.gz GMSKXDYCYQOQDV-SJORKVTESA-N 0 0 315.461 4.545 20 30 DJEDRN CN(CC(C)(C)C#N)c1cc(C(F)F)nc2ccc(Cl)cc21 ZINC000432152634 338147287 /nfs/dbraw/zinc/14/72/87/338147287.db2.gz AKAZNYRTKGCTTI-UHFFFAOYSA-N 0 0 323.774 4.812 20 30 DJEDRN C[C@@H](CC#N)Sc1ccccc1NCCc1ccccc1F ZINC000432331112 338153207 /nfs/dbraw/zinc/15/32/07/338153207.db2.gz JDPNCJTZXULYFW-AWEZNQCLSA-N 0 0 314.429 4.875 20 30 DJEDRN Cc1c(C#N)cccc1NC(=O)[C@H](CC(C)C)c1ccccc1 ZINC000432346599 338153649 /nfs/dbraw/zinc/15/36/49/338153649.db2.gz LHDKZRZNFIJNSX-GOSISDBHSA-N 0 0 306.409 4.635 20 30 DJEDRN C=CCC(C)(C)CNC(=O)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000432558797 338158930 /nfs/dbraw/zinc/15/89/30/338158930.db2.gz BIQDZIUSPQZHSV-ZDUSSCGKSA-N 0 0 308.853 4.645 20 30 DJEDRN CCc1ccccc1NC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000432729071 338164509 /nfs/dbraw/zinc/16/45/09/338164509.db2.gz FLUGFBSFEJLBKV-LJQANCHMSA-N 0 0 321.424 4.806 20 30 DJEDRN CCc1cccc(NC(=O)N[C@H](CCCC#N)c2ccccc2)c1 ZINC000432733418 338164639 /nfs/dbraw/zinc/16/46/39/338164639.db2.gz DVWUVSLKPYSSDX-LJQANCHMSA-N 0 0 321.424 4.806 20 30 DJEDRN CC[C@H](C)Oc1cccc(NC(=O)Nc2cc(C#N)ccc2C)c1 ZINC000432761709 338166851 /nfs/dbraw/zinc/16/68/51/338166851.db2.gz BDTPDDWRMXDODR-AWEZNQCLSA-N 0 0 323.396 4.688 20 30 DJEDRN C=CCCCN(C)C(=O)Nc1cc(-c2ccc(C)o2)ccc1C ZINC000432977329 338175158 /nfs/dbraw/zinc/17/51/58/338175158.db2.gz BZKZLMVRWLGARN-UHFFFAOYSA-N 0 0 312.413 4.993 20 30 DJEDRN N#C[C@@H](CCc1ccccc1)C(=O)Nc1cccc2ccccc21 ZINC000433227552 338186594 /nfs/dbraw/zinc/18/65/94/338186594.db2.gz RXWBQYQSXHEDJF-GOSISDBHSA-N 0 0 314.388 4.551 20 30 DJEDRN N#Cc1cc(F)ccc1NC(=O)C1CCC(c2ccccc2)CC1 ZINC000433969283 338205851 /nfs/dbraw/zinc/20/58/51/338205851.db2.gz IXQMKLZDJIMMAH-UHFFFAOYSA-N 0 0 322.383 4.610 20 30 DJEDRN CC(=O)c1cc(Cl)c(Cl)cc1OCc1ccc(C#N)cc1 ZINC000434733362 338224094 /nfs/dbraw/zinc/22/40/94/338224094.db2.gz AZWHWYIEWFXFTR-UHFFFAOYSA-N 0 0 320.175 4.647 20 30 DJEDRN C[C@@H](Sc1cccc(C#N)c1)c1nnc(-c2cccs2)o1 ZINC000435034894 338230136 /nfs/dbraw/zinc/23/01/36/338230136.db2.gz NZJXBWKODQROGR-SNVBAGLBSA-N 0 0 313.407 4.523 20 30 DJEDRN C=CCC[C@H](NC(=O)c1ccc(F)c(F)c1F)c1ccccc1 ZINC000435269201 338235906 /nfs/dbraw/zinc/23/59/06/338235906.db2.gz QNODUGIRLAKAOZ-HNNXBMFYSA-N 0 0 319.326 4.541 20 30 DJEDRN C=CCC[C@@H](NC(=O)[C@@H](C)c1cccc(OC)c1)c1ccccc1 ZINC000435272881 338236058 /nfs/dbraw/zinc/23/60/58/338236058.db2.gz UGSCJMLBDZVAGJ-OXJNMPFZSA-N 0 0 323.436 4.622 20 30 DJEDRN CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1ccc(C#N)s1 ZINC000435281110 338236281 /nfs/dbraw/zinc/23/62/81/338236281.db2.gz VOKKZMZZQMKCCF-KRWDZBQOSA-N 0 0 302.418 4.588 20 30 DJEDRN C=CCC[C@@H](NC(=O)CCCc1cccs1)c1ccccc1 ZINC000435281092 338236373 /nfs/dbraw/zinc/23/63/73/338236373.db2.gz VIVYYOYLXNOIOK-GOSISDBHSA-N 0 0 313.466 4.895 20 30 DJEDRN 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N#Cc1ccc(Oc2nc3cc(Cl)cc(Cl)c3o2)c(F)c1 ZINC000432829058 338169560 /nfs/dbraw/zinc/16/95/60/338169560.db2.gz MEXAFRJPZGOZKY-UHFFFAOYSA-N 0 0 323.110 4.938 20 30 DJEDRN C[C@H](NCc1cccc(C#N)c1)c1cc(Cl)sc1Cl ZINC000151379522 338170253 /nfs/dbraw/zinc/17/02/53/338170253.db2.gz ZBWRAWPMSYKONI-VIFPVBQESA-N 0 0 311.237 4.777 20 30 DJEDRN COc1ccc(C#N)cc1NCc1csc(Cl)c1Cl ZINC000432917863 338172856 /nfs/dbraw/zinc/17/28/56/338172856.db2.gz MODOOWOPBSDXNE-UHFFFAOYSA-N 0 0 313.209 4.547 20 30 DJEDRN CC(C)c1cccc(NC(=O)[C@@H](C#N)CCc2ccccc2)c1 ZINC000433122766 338182364 /nfs/dbraw/zinc/18/23/64/338182364.db2.gz WSSHIDSYYGWTRK-GOSISDBHSA-N 0 0 306.409 4.521 20 30 DJEDRN Cc1cscc1NC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000433270736 338188891 /nfs/dbraw/zinc/18/88/91/338188891.db2.gz DUDUNBAZYSJAOH-OAHLLOKOSA-N 0 0 313.426 4.613 20 30 DJEDRN C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)N(C)CC(C)(C)C#N ZINC000433311604 338191435 /nfs/dbraw/zinc/19/14/35/338191435.db2.gz MYDHTMUJNSDLLN-LBPRGKRZSA-N 0 0 317.820 4.538 20 30 DJEDRN CCC(CC)n1ccc(CSCc2cc(F)ccc2C#N)n1 ZINC000433625188 338198627 /nfs/dbraw/zinc/19/86/27/338198627.db2.gz PLBMWCSDMPTYDR-UHFFFAOYSA-N 0 0 317.433 4.688 20 30 DJEDRN C=CCCCCNC(=O)Nc1ccccc1-c1csc(C)n1 ZINC000433781670 338201711 /nfs/dbraw/zinc/20/17/11/338201711.db2.gz FQEGQYIKCROODS-UHFFFAOYSA-N 0 0 315.442 4.596 20 30 DJEDRN CC(C)(C)c1ccccc1C([O-])=C(C#N)c1nc2ccccc2o1 ZINC000434422786 338215839 /nfs/dbraw/zinc/21/58/39/338215839.db2.gz BSTQIVNMYLRXPK-AWEZNQCLSA-N 0 0 318.376 4.615 20 30 DJEDRN C=CCC[C@H](NC(=O)NCc1ccc(C)s1)c1ccccc1 ZINC000434964926 338228260 /nfs/dbraw/zinc/22/82/60/338228260.db2.gz RWRCHZYLPXEGBY-KRWDZBQOSA-N 0 0 314.454 4.563 20 30 DJEDRN C=CCC[C@H](NC(=O)N[C@H]1CCCc2occc21)c1ccccc1 ZINC000434987966 338228932 /nfs/dbraw/zinc/22/89/32/338228932.db2.gz WXUYNSQSZILLCO-ROUUACIJSA-N 0 0 324.424 4.664 20 30 DJEDRN C=CCC[C@@H](NC(=O)N[C@H]1CCCc2occc21)c1ccccc1 ZINC000434987964 338229042 /nfs/dbraw/zinc/22/90/42/338229042.db2.gz WXUYNSQSZILLCO-MSOLQXFVSA-N 0 0 324.424 4.664 20 30 DJEDRN Cc1oc(-c2ccccc2)nc1CSc1cccc(C#N)c1 ZINC000435033241 338230228 /nfs/dbraw/zinc/23/02/28/338230228.db2.gz IPINGGGNOLVJTJ-UHFFFAOYSA-N 0 0 306.390 4.814 20 30 DJEDRN C=CCC[C@H](NC(=O)N1CC[C@H]1c1ccccc1)c1ccccc1 ZINC000435101606 338232174 /nfs/dbraw/zinc/23/21/74/338232174.db2.gz CIKDODYUHXQZCA-PMACEKPBSA-N 0 0 320.436 4.851 20 30 DJEDRN C=CCC[C@@H](NC(=O)Nc1ccc(OC)cc1)c1ccccc1 ZINC000435141166 338233229 /nfs/dbraw/zinc/23/32/29/338233229.db2.gz MYCILEOLAZYJIZ-GOSISDBHSA-N 0 0 310.397 4.524 20 30 DJEDRN C=CCC[C@@H](NC(=O)c1ccc(F)c(F)c1F)c1ccccc1 ZINC000435269202 338235814 /nfs/dbraw/zinc/23/58/14/338235814.db2.gz QNODUGIRLAKAOZ-OAHLLOKOSA-N 0 0 319.326 4.541 20 30 DJEDRN CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)Cc1ccc(C#N)s1 ZINC000435281111 338236261 /nfs/dbraw/zinc/23/62/61/338236261.db2.gz VOKKZMZZQMKCCF-QGZVFWFLSA-N 0 0 302.418 4.588 20 30 DJEDRN CC(=O)c1ccc(C#N)c(N[C@H]2C[C@H](c3cccc(Cl)c3)C2)c1 ZINC000435604147 338243303 /nfs/dbraw/zinc/24/33/03/338243303.db2.gz NRUSQZICSWMDBQ-SAABIXHNSA-N 0 0 324.811 4.772 20 30 DJEDRN C=CCC[C@H](NC(=O)c1cccc2cc[nH]c21)c1ccccc1 ZINC000435720869 338246137 /nfs/dbraw/zinc/24/61/37/338246137.db2.gz FOWKULYDXOEDIZ-SFHVURJKSA-N 0 0 304.393 4.605 20 30 DJEDRN C=CCC[C@@H](NC(=O)N([C@H](C)C1CC1)C1CC1)c1ccccc1 ZINC000435763250 338248166 /nfs/dbraw/zinc/24/81/66/338248166.db2.gz QIFOGNNNIFPTQE-DNVCBOLYSA-N 0 0 312.457 4.666 20 30 DJEDRN C=CCC[C@@H](NC(=O)N([C@@H](C)C1CC1)C1CC1)c1ccccc1 ZINC000435763251 338248225 /nfs/dbraw/zinc/24/82/25/338248225.db2.gz QIFOGNNNIFPTQE-HNAYVOBHSA-N 0 0 312.457 4.666 20 30 DJEDRN CC(C)Cn1cc(N[C@H](C)c2cccc(C#N)c2)c(C(F)F)n1 ZINC000435895360 338252209 /nfs/dbraw/zinc/25/22/09/338252209.db2.gz YPJUYMSXMYZMEH-GFCCVEGCSA-N 0 0 318.371 4.521 20 30 DJEDRN C=CCC[C@H](NC(=O)Nc1ccccc1COC)c1ccccc1 ZINC000155142950 338253457 /nfs/dbraw/zinc/25/34/57/338253457.db2.gz PRWQLRVLMWHTCX-SFHVURJKSA-N 0 0 324.424 4.662 20 30 DJEDRN C=C(C)C[C@@H](C)C(=O)N(C)c1nc2cc(Cl)ccc2s1 ZINC000435976048 338254757 /nfs/dbraw/zinc/25/47/57/338254757.db2.gz UTSKRPNXTASMPC-SNVBAGLBSA-N 0 0 308.834 4.515 20 30 DJEDRN C=CC[C@H]1N(C(=O)Nc2ccc(F)cc2F)CCCC1(C)C ZINC000436110545 338258632 /nfs/dbraw/zinc/25/86/32/338258632.db2.gz SOSSRRUMSKSVMI-OAHLLOKOSA-N 0 0 308.372 4.563 20 30 DJEDRN Cc1oc(C#N)cc1C(=O)N1CCC[C@H]1c1ccc(C(C)C)cc1 ZINC000436145294 338259578 /nfs/dbraw/zinc/25/95/78/338259578.db2.gz HIYURZYBWUXHHS-IBGZPJMESA-N 0 0 322.408 4.560 20 30 DJEDRN Cc1oc(C#N)cc1C(=O)N[C@H](CC1CCCC1)c1ccccc1 ZINC000436148568 338259610 /nfs/dbraw/zinc/25/96/10/338259610.db2.gz GBSXAWUURGVMNI-LJQANCHMSA-N 0 0 322.408 4.511 20 30 DJEDRN C=C[C@@](C)(CC)C(=O)N(C)c1nc2ccc(Cl)cc2s1 ZINC000436464894 338273081 /nfs/dbraw/zinc/27/30/81/338273081.db2.gz RPVCCBGYSBBBCO-HNNXBMFYSA-N 0 0 308.834 4.515 20 30 DJEDRN CCC[C@]1(C)CCCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000437585702 338314895 /nfs/dbraw/zinc/31/48/95/338314895.db2.gz WJGDHKAAPAGNEZ-QGZVFWFLSA-N 0 0 319.836 4.646 20 30 DJEDRN C[C@]1(c2ccccc2)CC[C@@H](N(CCC#N)Cc2ccco2)C1 ZINC000437595519 338315634 /nfs/dbraw/zinc/31/56/34/338315634.db2.gz YYGYXGJVIYKVHC-QUCCMNQESA-N 0 0 308.425 4.506 20 30 DJEDRN CCCN(C(=O)c1cc(C#N)cs1)[C@H](CC)c1ccccc1 ZINC000437675840 338318062 /nfs/dbraw/zinc/31/80/62/338318062.db2.gz INJZRQZPKQXNBE-MRXNPFEDSA-N 0 0 312.438 4.623 20 30 DJEDRN CCCCN(C(=O)c1cc(C#N)cs1)[C@H](C)c1ccccc1 ZINC000437675219 338318125 /nfs/dbraw/zinc/31/81/25/338318125.db2.gz OBQZNSRBMQXGES-CQSZACIVSA-N 0 0 312.438 4.623 20 30 DJEDRN Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)c2cc(C#N)cs2)cc1 ZINC000437705942 338318890 /nfs/dbraw/zinc/31/88/90/338318890.db2.gz VKMWITQESOURFM-RDTXWAMCSA-N 0 0 324.449 4.542 20 30 DJEDRN C=CCCCCCN(C)C(=O)c1ncsc1-c1ccccc1 ZINC000438027335 338328446 /nfs/dbraw/zinc/32/84/46/338328446.db2.gz PJBKRIALQGXQON-UHFFFAOYSA-N 0 0 314.454 4.629 20 30 DJEDRN C=CCSc1ccccc1C(=O)Nc1ccsc1Cl ZINC000438565007 338348250 /nfs/dbraw/zinc/34/82/50/338348250.db2.gz AXIRJLAZJKSKIA-UHFFFAOYSA-N 0 0 309.843 4.932 20 30 DJEDRN C=C(C)CN(CC)C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000438636083 338350425 /nfs/dbraw/zinc/35/04/25/338350425.db2.gz XBJPHZZSPJNNQX-UHFFFAOYSA-N 0 0 320.408 4.577 20 30 DJEDRN CCc1ccc(CC)c(NC(=O)N[C@H](C)c2ccc(C#N)cc2)c1 ZINC000438768367 338351950 /nfs/dbraw/zinc/35/19/50/338351950.db2.gz UCGGRPUPXMVIPE-CQSZACIVSA-N 0 0 321.424 4.566 20 30 DJEDRN CC(C)CCC[C@H](C)NC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000438840138 338353392 /nfs/dbraw/zinc/35/33/92/338353392.db2.gz MVYOMDGCJJTNOE-FUHWJXTLSA-N 0 0 315.461 4.545 20 30 DJEDRN Cc1ccc(-c2cnc(COc3ccc(C#N)c(Cl)c3)o2)cc1 ZINC000438897000 338355012 /nfs/dbraw/zinc/35/50/12/338355012.db2.gz SZZMJHHBJKPCOS-UHFFFAOYSA-N 0 0 324.767 4.754 20 30 DJEDRN Cc1ccsc1CCCC(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000438901722 338355277 /nfs/dbraw/zinc/35/52/77/338355277.db2.gz BVRPCRKRUOVMIU-UHFFFAOYSA-N 0 0 318.829 4.543 20 30 DJEDRN COc1cc(COc2ccc(C#N)c(Cl)c2)ccc1SC ZINC000438904100 338355396 /nfs/dbraw/zinc/35/53/96/338355396.db2.gz XXKKVEHLIGXGNF-UHFFFAOYSA-N 0 0 319.813 4.521 20 30 DJEDRN Cc1sc2ncnc(N[C@@H](CCC#N)c3ccccc3)c2c1C ZINC000439100401 338360991 /nfs/dbraw/zinc/36/09/91/338360991.db2.gz TZXXFSIHVLDXQX-HNNXBMFYSA-N 0 0 322.437 4.765 20 30 DJEDRN C=C(C)C[C@@H](C)C(=O)N(C)c1ccc(C(F)(F)F)cc1Cl ZINC000439124406 338361628 /nfs/dbraw/zinc/36/16/28/338361628.db2.gz PQIPQRPUKLCIAB-SNVBAGLBSA-N 0 0 319.754 4.924 20 30 DJEDRN C[C@@H](NCc1ccc(C#N)cc1Cl)c1cc2ccccc2o1 ZINC000439456378 338370125 /nfs/dbraw/zinc/37/01/25/338370125.db2.gz YITPKFXZHMFBOK-GFCCVEGCSA-N 0 0 310.784 4.809 20 30 DJEDRN C=CCC[C@H](NC(=O)Nc1cscc1C)c1ccccc1 ZINC000439488354 338371628 /nfs/dbraw/zinc/37/16/28/338371628.db2.gz ZJWRDDWXAXJRKU-HNNXBMFYSA-N 0 0 300.427 4.886 20 30 DJEDRN Cc1cccn2cc(CS[C@@H](C)c3ccc(C#N)cc3)nc12 ZINC000439544780 338372729 /nfs/dbraw/zinc/37/27/29/338372729.db2.gz GKCIDJRMQADWJJ-AWEZNQCLSA-N 0 0 307.422 4.509 20 30 DJEDRN C=CC[C@@H](CC)NC(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000439584886 338373927 /nfs/dbraw/zinc/37/39/27/338373927.db2.gz CHMFTYMYJGLJOB-MRXNPFEDSA-N 0 0 315.461 4.543 20 30 DJEDRN C[C@H](CC(=O)N[C@H](CCC#N)c1ccccc1)C1CCCCC1 ZINC000439666275 338375677 /nfs/dbraw/zinc/37/56/77/338375677.db2.gz OHWBRCPGBPHEET-VQIMIIECSA-N 0 0 312.457 4.754 20 30 DJEDRN C[C@@H](C(=O)Nc1ccc(F)c(C#N)c1)c1ccc2ccccc2c1 ZINC000439742159 338377028 /nfs/dbraw/zinc/37/70/28/338377028.db2.gz TVNAQTCKTXDFHG-CYBMUJFWSA-N 0 0 318.351 4.593 20 30 DJEDRN Cc1ccc(C#N)cc1NC(=O)[C@H](C)c1ccc2ccccc2c1 ZINC000439753626 338377249 /nfs/dbraw/zinc/37/72/49/338377249.db2.gz BNUNFXGCLJODNW-OAHLLOKOSA-N 0 0 314.388 4.762 20 30 DJEDRN Cc1ccsc1CCCC(=O)Nc1sc(C)c(C)c1C#N ZINC000439851871 338379661 /nfs/dbraw/zinc/37/96/61/338379661.db2.gz PBEVIJHSOZWZQH-UHFFFAOYSA-N 0 0 318.467 4.568 20 30 DJEDRN Cc1cc(C#N)ccc1C(=O)N(c1ccc(F)cc1)C1CCCC1 ZINC000439987729 338382385 /nfs/dbraw/zinc/38/23/85/338382385.db2.gz BTGXMCCUXLRAMZ-UHFFFAOYSA-N 0 0 322.383 4.595 20 30 DJEDRN Cc1cc(C#N)ccc1C(=O)N(c1ccc(Cl)cc1)C(C)C ZINC000440059794 338382950 /nfs/dbraw/zinc/38/29/50/338382950.db2.gz GJMXOYSZUXNOGP-UHFFFAOYSA-N 0 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DAMLDEOSTZLWPK-BDJLRTHQSA-N 0 0 321.392 4.563 20 30 DJEDRN C=CCc1cccc(C(C)C)c1NC(=O)c1ccc(C(C)=O)cc1 ZINC000189905396 340540958 /nfs/dbraw/zinc/54/09/58/340540958.db2.gz GEMLHSOLFZBEQB-UHFFFAOYSA-N 0 0 321.420 4.993 20 30 DJEDRN COc1cc(Cl)c(Cl)cc1NCc1ccc(C#N)s1 ZINC000191677774 340557465 /nfs/dbraw/zinc/55/74/65/340557465.db2.gz UZVMEJODDZMZCF-UHFFFAOYSA-N 0 0 313.209 4.547 20 30 DJEDRN C=CC[C@H](C(=O)Nc1cccc(F)c1Cl)c1ccccc1 ZINC000522033140 340563204 /nfs/dbraw/zinc/56/32/04/340563204.db2.gz RXMAURQMXFZHFN-ZDUSSCGKSA-N 0 0 303.764 4.778 20 30 DJEDRN Cc1ccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c(Cl)c1 ZINC000192311410 340565965 /nfs/dbraw/zinc/56/59/65/340565965.db2.gz UENPWJZXGABPMA-UHFFFAOYSA-N 0 0 312.800 4.702 20 30 DJEDRN CC[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000522127622 340574869 /nfs/dbraw/zinc/57/48/69/340574869.db2.gz MOJFGUHTBWUENK-KRWDZBQOSA-N 0 0 320.436 4.695 20 30 DJEDRN C=CCCC(=O)N1CCCc2cc(OCc3ccccc3)ccc21 ZINC000522303326 340598332 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/nfs/dbraw/zinc/63/30/99/340633099.db2.gz PFBOXZFAXKXJLQ-UHFFFAOYSA-N 0 0 314.198 4.687 20 30 DJEDRN C=CCn1c2ccccc2nc1S[C@H](C)c1ccc(C#N)cc1 ZINC000303661118 340639365 /nfs/dbraw/zinc/63/93/65/340639365.db2.gz DIMBPTPUXUGMMG-CQSZACIVSA-N 0 0 319.433 4.947 20 30 DJEDRN C[C@@H](Sc1nc2cc(F)c(F)cc2[nH]1)c1ccc(C#N)cc1 ZINC000303736699 340640734 /nfs/dbraw/zinc/64/07/34/340640734.db2.gz XKCAECQJYKIUBG-SECBINFHSA-N 0 0 315.348 4.566 20 30 DJEDRN C=CCCCN(C)C(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000524075331 340647035 /nfs/dbraw/zinc/64/70/35/340647035.db2.gz YGUNKJSLSLWLIJ-INIZCTEOSA-N 0 0 306.425 4.521 20 30 DJEDRN CCCC[C@@H](CC)CC(=O)N[C@H](C#N)c1ccc(Cl)cc1 ZINC000524208311 340649859 /nfs/dbraw/zinc/64/98/59/340649859.db2.gz AEPQVSFMVAGFGL-CZUORRHYSA-N 0 0 306.837 4.627 20 30 DJEDRN CC(C)c1ccc([C@H](C)CC(=O)Nc2ccccc2C#N)cc1 ZINC000524249383 340650726 /nfs/dbraw/zinc/65/07/26/340650726.db2.gz DJRBMLBUIWOOKV-OAHLLOKOSA-N 0 0 306.409 4.814 20 30 DJEDRN CCc1c(C)sc(NC(=O)c2oc3ccccc3c2C)c1C#N ZINC000524330632 340652792 /nfs/dbraw/zinc/65/27/92/340652792.db2.gz XCNRVQVMMXCPRY-UHFFFAOYSA-N 0 0 324.405 4.798 20 30 DJEDRN C=CCN(C)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000524482167 340655039 /nfs/dbraw/zinc/65/50/39/340655039.db2.gz FHMHGXVVHLHBFR-UHFFFAOYSA-N 0 0 308.303 4.515 20 30 DJEDRN N#C[C@@H](Sc1nc(-c2ccc(F)cc2)c[nH]1)C1CCCCC1 ZINC000524536172 340656653 /nfs/dbraw/zinc/65/66/53/340656653.db2.gz JOQUHITVKKEKFC-MRXNPFEDSA-N 0 0 315.417 4.780 20 30 DJEDRN C=CC1CCN(C(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000524660988 340660472 /nfs/dbraw/zinc/66/04/72/340660472.db2.gz CHVOJMNUNZGZFZ-HOTGVXAUSA-N 0 0 324.251 4.522 20 30 DJEDRN CC[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccc(Cl)cc1 ZINC000315906016 340677293 /nfs/dbraw/zinc/67/72/93/340677293.db2.gz RHTFGUDQSIIDGX-HNNXBMFYSA-N 0 0 315.760 4.683 20 30 DJEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@H](CCC)OCC ZINC000529134829 340745737 /nfs/dbraw/zinc/74/57/37/340745737.db2.gz GJTUQCYSVUVNLN-KRWDZBQOSA-N 0 0 303.446 4.682 20 30 DJEDRN COc1cc(Cl)c(C)cc1N[C@@H](C)c1cccc(C#N)c1 ZINC000037196098 340772506 /nfs/dbraw/zinc/77/25/06/340772506.db2.gz DWNAFPPRZQPLOZ-LBPRGKRZSA-N 0 0 300.789 4.702 20 30 DJEDRN C=C(C)C[C@H](C)C(=O)N1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000529944574 340774645 /nfs/dbraw/zinc/77/46/45/340774645.db2.gz QLIYSFWLOJYRCJ-WMLDXEAASA-N 0 0 303.421 4.523 20 30 DJEDRN CC(C)Oc1ccccc1CNc1ccc(C#N)c(Cl)c1 ZINC000037253272 340780409 /nfs/dbraw/zinc/78/04/09/340780409.db2.gz MWFFNKIWYZLWNY-UHFFFAOYSA-N 0 0 300.789 4.611 20 30 DJEDRN CCC(C#N)(CC)c1nc(-c2c(Cl)cccc2Cl)no1 ZINC000530158595 340780888 /nfs/dbraw/zinc/78/08/88/340780888.db2.gz VKLHUOCESWHPBM-UHFFFAOYSA-N 0 0 310.184 4.625 20 30 DJEDRN C[C@@H]1CCC[C@@H](OCc2cccc(NCc3ccc(C#N)o3)c2)C1 ZINC000123843939 340795742 /nfs/dbraw/zinc/79/57/42/340795742.db2.gz DHEVBCXSSVXREM-CRAIPNDOSA-N 0 0 324.424 4.859 20 30 DJEDRN Cc1cc(F)ccc1-c1ccc(CN(CC#N)C2CCCC2)o1 ZINC000538718786 340797467 /nfs/dbraw/zinc/79/74/67/340797467.db2.gz NOQKVVOTXYLGRY-UHFFFAOYSA-N 0 0 312.388 4.662 20 30 DJEDRN C=C[C@H](CC(=O)Nc1cccc(C(F)F)c1)c1ccccc1 ZINC000125301658 340803470 /nfs/dbraw/zinc/80/34/70/340803470.db2.gz CDKWOXFHHCHQHL-CYBMUJFWSA-N 0 0 301.336 4.923 20 30 DJEDRN C=CCCC[C@@H](C)Sc1nnc(-c2sc(C)nc2C)o1 ZINC000538171937 340812070 /nfs/dbraw/zinc/81/20/70/340812070.db2.gz XUJZTRCEEMAQHA-SECBINFHSA-N 0 0 309.460 4.647 20 30 DJEDRN C=CCCC[C@H](C)NC(=O)N(C)[C@H](C)c1cccc(Cl)c1 ZINC000538290303 340816541 /nfs/dbraw/zinc/81/65/41/340816541.db2.gz PIZJZTPXBDPPMZ-UONOGXRCSA-N 0 0 308.853 4.787 20 30 DJEDRN C[C@@H](SCC1(C#N)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000538415533 340822209 /nfs/dbraw/zinc/82/22/09/340822209.db2.gz DDVNDHHGNQIYEY-SNVBAGLBSA-N 0 0 301.333 4.683 20 30 DJEDRN CC(C)(C)c1ccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1 ZINC000538493079 340828214 /nfs/dbraw/zinc/82/82/14/340828214.db2.gz KTSUVBLURZFBQP-UHFFFAOYSA-N 0 0 318.420 4.792 20 30 DJEDRN CCCCc1noc([C@H](C)Sc2cccc(Cl)c2C#N)n1 ZINC000538946133 340863137 /nfs/dbraw/zinc/86/31/37/340863137.db2.gz XGLHMOYIGXFFMJ-JTQLQIEISA-N 0 0 321.833 4.791 20 30 DJEDRN N#Cc1ccc2nc(N3CCC[C@H]3c3ccsc3)ccc2c1 ZINC000538978545 340864175 /nfs/dbraw/zinc/86/41/75/340864175.db2.gz QNWFXWNCNDAVNJ-KRWDZBQOSA-N 0 0 305.406 4.509 20 30 DJEDRN CCC[C@H](C(=O)N(CC)c1ccc(C#N)c(Cl)c1)C(C)C ZINC000539173301 340875419 /nfs/dbraw/zinc/87/54/19/340875419.db2.gz PPEOUKYXXDCYRZ-HNNXBMFYSA-N 0 0 306.837 4.637 20 30 DJEDRN CSc1cccc(NC(=O)Nc2cc(C#N)ccc2C)c1C ZINC000539257418 340878673 /nfs/dbraw/zinc/87/86/73/340878673.db2.gz LYBNTZBEHKOUHZ-UHFFFAOYSA-N 0 0 311.410 4.541 20 30 DJEDRN C=CCC[C@H](NCc1nc2ccc(F)cc2o1)c1ccccc1 ZINC000539359546 340882541 /nfs/dbraw/zinc/88/25/41/340882541.db2.gz NBTXDJNQMPURFO-INIZCTEOSA-N 0 0 310.372 4.764 20 30 DJEDRN C=CCCC[C@@H](C)NC(=O)N1CCCCC[C@@H]1c1ccco1 ZINC000539464875 340886290 /nfs/dbraw/zinc/88/62/90/340886290.db2.gz CANKCPYHFPVXBZ-HZPDHXFCSA-N 0 0 304.434 4.651 20 30 DJEDRN C[C@@H](NCc1c(Cl)cccc1Cl)c1ccc(C#N)c(F)c1 ZINC000540709080 340942629 /nfs/dbraw/zinc/94/26/29/340942629.db2.gz IUMSTNUMRJMOJH-SNVBAGLBSA-N 0 0 323.198 4.855 20 30 DJEDRN N#Cc1ccccc1CSCc1ncc(Cl)cc1Cl ZINC000540724399 340943430 /nfs/dbraw/zinc/94/34/30/340943430.db2.gz LUFACOUDDVASNE-UHFFFAOYSA-N 0 0 309.221 4.693 20 30 DJEDRN Cc1cnc([C@H](C)Sc2ccc(C#N)c(C(F)(F)F)c2)o1 ZINC000541077444 340958451 /nfs/dbraw/zinc/95/84/51/340958451.db2.gz RMYNCEGWRKJNSW-VIFPVBQESA-N 0 0 312.316 4.727 20 30 DJEDRN C=CCN(Cc1ccccc1)C(=O)Nc1c(F)cccc1Cl ZINC000541585846 340976067 /nfs/dbraw/zinc/97/60/67/340976067.db2.gz PQFOTMXCIHLXPR-UHFFFAOYSA-N 0 0 318.779 4.699 20 30 DJEDRN Cc1ccccc1[C@H](NC(=O)Nc1ccc(CC#N)cc1)C(C)C ZINC000070023171 340987855 /nfs/dbraw/zinc/98/78/55/340987855.db2.gz KPMFCJFPLKJXBW-LJQANCHMSA-N 0 0 321.424 4.580 20 30 DJEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)[C@H]1CCC(C)(C)C1 ZINC000541935956 340990269 /nfs/dbraw/zinc/99/02/69/340990269.db2.gz LBTHMMXKDJRCTP-KBPBESRZSA-N 0 0 316.470 4.846 20 30 DJEDRN CC(C)(C#N)CCCOc1ccc(-n2ncc3ccccc32)cc1 ZINC000542087857 340994926 /nfs/dbraw/zinc/99/49/26/340994926.db2.gz APWGPCQLQZYZMK-UHFFFAOYSA-N 0 0 319.408 4.734 20 30 DJEDRN N#Cc1ccc(F)cc1CSc1cccc(Cl)c1C#N ZINC000542102228 340995423 /nfs/dbraw/zinc/99/54/23/340995423.db2.gz GFSXMFGWNAEKCB-UHFFFAOYSA-N 0 0 302.761 4.515 20 30 DJEDRN Cc1cc([C@H](NCCCC#N)c2ccccc2Cl)ccc1F ZINC000542498788 341010584 /nfs/dbraw/zinc/01/05/84/341010584.db2.gz MHLFSPAOZFZFIC-SFHVURJKSA-N 0 0 316.807 4.770 20 30 DJEDRN C=C[C@H](CC(=O)N(C)[C@H](C)c1ccccc1F)c1ccccc1 ZINC000130281545 341013003 /nfs/dbraw/zinc/01/30/03/341013003.db2.gz IYLBWNRNAQMMRY-HZPDHXFCSA-N 0 0 311.400 4.705 20 30 DJEDRN Cc1cc(C#N)ccc1C(=O)N1CCCCc2c(Cl)cccc21 ZINC000542566736 341013943 /nfs/dbraw/zinc/01/39/43/341013943.db2.gz VTDKWDDCJUUQRQ-UHFFFAOYSA-N 0 0 324.811 4.503 20 30 DJEDRN C[C@@H](C#N)CNCc1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000542694002 341017604 /nfs/dbraw/zinc/01/76/04/341017604.db2.gz IUIJYSNVHMSGNW-NSHDSACASA-N 0 0 324.371 4.683 20 30 DJEDRN N#CCC1CCN(C(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000542901290 341025746 /nfs/dbraw/zinc/02/57/46/341025746.db2.gz DYEDDEIUFSHGRR-UHFFFAOYSA-N 0 0 319.408 4.511 20 30 DJEDRN N#CCCSc1ccccc1NCCCc1ccsc1 ZINC000543029127 341028716 /nfs/dbraw/zinc/02/87/16/341028716.db2.gz KXIQVMUPURZXJR-UHFFFAOYSA-N 0 0 302.468 4.799 20 30 DJEDRN C=CCN(C(=O)c1ccc(SC2CC2)cc1)c1ccccc1 ZINC000543044433 341029264 /nfs/dbraw/zinc/02/92/64/341029264.db2.gz LQVPKSYBWAZLRU-UHFFFAOYSA-N 0 0 309.434 4.774 20 30 DJEDRN CCCOc1cccc(C[NH2+][C@@H](CCC#N)c2ccccc2)c1 ZINC000130609606 341032638 /nfs/dbraw/zinc/03/26/38/341032638.db2.gz LPLRCAXBESPUFP-FQEVSTJZSA-N 0 0 308.425 4.610 20 30 DJEDRN N#CCc1ccc(CN(Cc2ccco2)Cc2cccs2)cc1 ZINC000543138863 341033616 /nfs/dbraw/zinc/03/36/16/341033616.db2.gz MDAWDOCFHMWLDB-UHFFFAOYSA-N 0 0 322.433 4.610 20 30 DJEDRN C=CCN(Cc1ccc(Cl)s1)Cc1ccc(CC#N)cc1 ZINC000543138721 341033748 /nfs/dbraw/zinc/03/37/48/341033748.db2.gz LPRDGRUPUVPBQH-UHFFFAOYSA-N 0 0 316.857 4.656 20 30 DJEDRN N#Cc1ccc(NC(=O)c2ccc(-c3ccccc3)o2)c(Cl)c1 ZINC000543155127 341034504 /nfs/dbraw/zinc/03/45/04/341034504.db2.gz GRXIWYGBHGYGFP-UHFFFAOYSA-N 0 0 322.751 4.724 20 30 DJEDRN CCCC(C#N)(CCC)NC(=O)c1ccc(-c2ccccc2)o1 ZINC000543166362 341034972 /nfs/dbraw/zinc/03/49/72/341034972.db2.gz PMBHDDUEPVOWBY-UHFFFAOYSA-N 0 0 310.397 4.539 20 30 DJEDRN Cc1cccc(N[C@H](C)c2ccc(C#N)cc2)c1Br ZINC000131013421 341056256 /nfs/dbraw/zinc/05/62/56/341056256.db2.gz FVXZZKPPGCCWCR-GFCCVEGCSA-N 0 0 315.214 4.802 20 30 DJEDRN C[C@H](Sc1ccc(C#N)c(C(F)(F)F)c1)c1cccnc1 ZINC000543862490 341061954 /nfs/dbraw/zinc/06/19/54/341061954.db2.gz VPMFYBDUNACVEG-JTQLQIEISA-N 0 0 308.328 4.825 20 30 DJEDRN COc1ccc(OC)c(CSc2cccc(Cl)c2C#N)c1 ZINC000543958344 341063755 /nfs/dbraw/zinc/06/37/55/341063755.db2.gz BZLIEZKPBZKZNL-UHFFFAOYSA-N 0 0 319.813 4.521 20 30 DJEDRN Cc1ccnc(N[C@H](Cc2ccccc2)c2cccs2)c1C#N ZINC000544068855 341069095 /nfs/dbraw/zinc/06/90/95/341069095.db2.gz BMBLDWIAMPXHOK-QGZVFWFLSA-N 0 0 319.433 4.719 20 30 DJEDRN Cc1ccnc(N[C@@H](Cc2ccccc2)c2cccs2)c1C#N ZINC000544068854 341069133 /nfs/dbraw/zinc/06/91/33/341069133.db2.gz BMBLDWIAMPXHOK-KRWDZBQOSA-N 0 0 319.433 4.719 20 30 DJEDRN C[C@@H]1CCC[C@@H](c2noc(CSc3ccc(C#N)cc3)n2)C1 ZINC000544228530 341074652 /nfs/dbraw/zinc/07/46/52/341074652.db2.gz GKLITPMHDBNTBL-TZMCWYRMSA-N 0 0 313.426 4.527 20 30 DJEDRN Cc1cccc(N[C@@H](C)c2cccc(C#N)c2)c1Br ZINC000131398747 341084365 /nfs/dbraw/zinc/08/43/65/341084365.db2.gz CJTKMYIKNCFAPY-LBPRGKRZSA-N 0 0 315.214 4.802 20 30 DJEDRN Cc1cccc(N[C@H](C)c2cccc(C#N)c2)c1Br ZINC000131398981 341084710 /nfs/dbraw/zinc/08/47/10/341084710.db2.gz CJTKMYIKNCFAPY-GFCCVEGCSA-N 0 0 315.214 4.802 20 30 DJEDRN CCCC(C#N)(CCC)NC(=O)CC1CC(c2ccccc2)C1 ZINC000544596824 341087770 /nfs/dbraw/zinc/08/77/70/341087770.db2.gz WEULPKYSUDRYKJ-UHFFFAOYSA-N 0 0 312.457 4.549 20 30 DJEDRN C[C@H]1CCCC[C@@H]1c1noc(CSc2ccc(C#N)cc2)n1 ZINC000544758107 341092853 /nfs/dbraw/zinc/09/28/53/341092853.db2.gz WPXYDNKUQWWUGP-WFASDCNBSA-N 0 0 313.426 4.527 20 30 DJEDRN 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338226711 /nfs/dbraw/zinc/22/67/11/338226711.db2.gz MIHZCJZFBGJMDJ-UHFFFAOYSA-N 0 0 312.438 4.679 20 30 DJEDRN N#Cc1cccc(SCc2ccc(Br)s2)c1 ZINC000435036393 338230262 /nfs/dbraw/zinc/23/02/62/338230262.db2.gz KXVIPAQPRSYROA-UHFFFAOYSA-N 0 0 310.241 4.675 20 30 DJEDRN C=CCC[C@H](NC(=O)N1CCC[C@H]2CCC[C@H]21)c1ccccc1 ZINC000435096569 338232122 /nfs/dbraw/zinc/23/21/22/338232122.db2.gz XHPFVIRMOXDRCA-CEXWTWQISA-N 0 0 312.457 4.668 20 30 DJEDRN C=CCC[C@@H](NC(=O)N1CCC[C@@H]1C1CCC1)c1ccccc1 ZINC000435101094 338232181 /nfs/dbraw/zinc/23/21/81/338232181.db2.gz NHZJWUHYINRCSL-RTBURBONSA-N 0 0 312.457 4.668 20 30 DJEDRN C=C(C)CN(CC)C(=O)Nc1cc2sc(C)nc2cc1Cl ZINC000435186576 338234295 /nfs/dbraw/zinc/23/42/95/338234295.db2.gz NAKGTQREKIIPRQ-UHFFFAOYSA-N 0 0 323.849 4.688 20 30 DJEDRN C=CCC[C@H](NC(=O)[C@H](C)c1cccc(OC)c1)c1ccccc1 ZINC000435272883 338236045 /nfs/dbraw/zinc/23/60/45/338236045.db2.gz UGSCJMLBDZVAGJ-UZLBHIALSA-N 0 0 323.436 4.622 20 30 DJEDRN C=CCCC(=O)N1CCc2ccccc2[C@H](c2ccccc2)[C@H]1C ZINC000435364943 338238068 /nfs/dbraw/zinc/23/80/68/338238068.db2.gz GKNXKGPUTBQCBV-VGSWGCGISA-N 0 0 319.448 4.558 20 30 DJEDRN Cc1oc(C#N)cc1C(=O)N1CCCCC[C@@H]1c1cccc(C)c1 ZINC000435457779 338240792 /nfs/dbraw/zinc/24/07/92/338240792.db2.gz MHBJBMRAWIBLDD-LJQANCHMSA-N 0 0 322.408 4.526 20 30 DJEDRN C=CCC[C@H](NC(=O)Nc1c(F)cccc1F)c1ccccc1 ZINC000435657274 338244372 /nfs/dbraw/zinc/24/43/72/338244372.db2.gz UHSNHSKOWLKBIK-INIZCTEOSA-N 0 0 316.351 4.794 20 30 DJEDRN C=CCC[C@H](NC(=O)N[C@@H]1CCCC(F)(F)C1)c1ccccc1 ZINC000435762509 338248244 /nfs/dbraw/zinc/24/82/44/338248244.db2.gz SWVCBYRJWVKVPL-CVEARBPZSA-N 0 0 322.399 4.571 20 30 DJEDRN N#Cc1cc(NCc2nc(C3CCCCC3)cs2)ccc1F ZINC000435885685 338251895 /nfs/dbraw/zinc/25/18/95/338251895.db2.gz MYQSOMDBZGGSMA-UHFFFAOYSA-N 0 0 315.417 4.814 20 30 DJEDRN COC(=O)c1ccc(F)c(CSCCCCC(C)(C)C#N)c1 ZINC000435889613 338251973 /nfs/dbraw/zinc/25/19/73/338251973.db2.gz OYCCSBXKFFUTAS-UHFFFAOYSA-N 0 0 323.433 4.566 20 30 DJEDRN CC[C@@H](C#N)Sc1ncnc2sc(-c3ccccc3)cc21 ZINC000436048511 338256708 /nfs/dbraw/zinc/25/67/08/338256708.db2.gz FJUXYBTZUBODKM-LBPRGKRZSA-N 0 0 311.435 4.753 20 30 DJEDRN Cc1oc(C#N)cc1C(=O)Nc1ccc(C(C)C)cc1C(C)C ZINC000436062364 338257048 /nfs/dbraw/zinc/25/70/48/338257048.db2.gz DWARCRWDABPRRI-UHFFFAOYSA-N 0 0 310.397 4.959 20 30 DJEDRN C=CC[C@@H]1N(C(=O)Nc2ccc(F)cc2F)CCCC1(C)C ZINC000436110544 338258601 /nfs/dbraw/zinc/25/86/01/338258601.db2.gz SOSSRRUMSKSVMI-HNNXBMFYSA-N 0 0 308.372 4.563 20 30 DJEDRN Cc1ccc(-c2nc(SCCCCC(C)(C)C#N)n[nH]2)cc1 ZINC000436126701 338259070 /nfs/dbraw/zinc/25/90/70/338259070.db2.gz JOFQACFLCQQARO-UHFFFAOYSA-N 0 0 314.458 4.592 20 30 DJEDRN CC(C)(C#N)CCCCSc1n[nH]c(CCC2CCCC2)n1 ZINC000436206971 338262004 /nfs/dbraw/zinc/26/20/04/338262004.db2.gz HDYIVQUIPYSNQB-UHFFFAOYSA-N 0 0 320.506 4.740 20 30 DJEDRN N#Cc1cccc(CSc2nc(-c3ccccc3)co2)c1F ZINC000436236556 338262857 /nfs/dbraw/zinc/26/28/57/338262857.db2.gz AFEHKNKYYCMEKZ-UHFFFAOYSA-N 0 0 310.353 4.645 20 30 DJEDRN N#CCCCOc1cccc(NCc2cc3c(cccc3F)[nH]2)c1 ZINC000436282526 338265692 /nfs/dbraw/zinc/26/56/92/338265692.db2.gz RHBYCMPRAXREHK-UHFFFAOYSA-N 0 0 323.371 4.602 20 30 DJEDRN C=CCC(CC=C)C(=O)N(C)c1nc2cccc(Cl)c2s1 ZINC000436331747 338269165 /nfs/dbraw/zinc/26/91/65/338269165.db2.gz OYHINDGMYPCRIP-UHFFFAOYSA-N 0 0 320.845 4.681 20 30 DJEDRN C=CC[C@H](C(=O)Nc1cc(C)c(OC)cc1C)c1ccccc1 ZINC000436382044 338270182 /nfs/dbraw/zinc/27/01/82/338270182.db2.gz ACEMZKORYJBLGG-KRWDZBQOSA-N 0 0 309.409 4.610 20 30 DJEDRN C=CCC1(C(=O)N(C)c2nc3cccc(Cl)c3s2)CCC1 ZINC000436386287 338270267 /nfs/dbraw/zinc/27/02/67/338270267.db2.gz GYQHXEJJKPJIMR-UHFFFAOYSA-N 0 0 320.845 4.659 20 30 DJEDRN C=C[C@](C)(CC)C(=O)N(C)c1nc2ccc(Cl)cc2s1 ZINC000436464895 338273048 /nfs/dbraw/zinc/27/30/48/338273048.db2.gz RPVCCBGYSBBBCO-OAHLLOKOSA-N 0 0 308.834 4.515 20 30 DJEDRN COc1cc(NC2CCC(C#N)(c3ccccc3)CC2)ccc1F ZINC000437063698 338299107 /nfs/dbraw/zinc/29/91/07/338299107.db2.gz LJEZQDZDIGGBES-UHFFFAOYSA-N 0 0 324.399 4.650 20 30 DJEDRN C=CCCCS[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000437268725 338305404 /nfs/dbraw/zinc/30/54/04/338305404.db2.gz MOJASRRBMPGUFU-HNNXBMFYSA-N 0 0 309.862 4.535 20 30 DJEDRN C[C@H](SCCc1ccc2c(c1)CCO2)c1ccc(C#N)cc1 ZINC000437280077 338305938 /nfs/dbraw/zinc/30/59/38/338305938.db2.gz YZIIMCJCWBDSMJ-AWEZNQCLSA-N 0 0 309.434 4.530 20 30 DJEDRN CC(C)c1ccc(CN(C(=O)c2cc(C#N)cs2)C2CC2)cc1 ZINC000437411439 338309348 /nfs/dbraw/zinc/30/93/48/338309348.db2.gz VWPUTZFPKCOAGX-UHFFFAOYSA-N 0 0 324.449 4.548 20 30 DJEDRN N#Cc1ccccc1Oc1ccc(NC(=O)CCC2CC2)cc1F ZINC000437460352 338310876 /nfs/dbraw/zinc/31/08/76/338310876.db2.gz MNROASCSQDSWKY-UHFFFAOYSA-N 0 0 324.355 4.618 20 30 DJEDRN CCC[C@@H]1[C@H](C)CCCN1C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000437576059 338313910 /nfs/dbraw/zinc/31/39/10/338313910.db2.gz FEOOYWZNWKQIBP-MLGOLLRUSA-N 0 0 319.836 4.644 20 30 DJEDRN C[C@]1(c2ccccc2)CC[C@H](N(CCC#N)Cc2ccco2)C1 ZINC000437595517 338315658 /nfs/dbraw/zinc/31/56/58/338315658.db2.gz YYGYXGJVIYKVHC-ICSRJNTNSA-N 0 0 308.425 4.506 20 30 DJEDRN CCCCN(C(=O)c1cc(C#N)cs1)[C@@H](C)c1ccccc1 ZINC000437675192 338318083 /nfs/dbraw/zinc/31/80/83/338318083.db2.gz OBQZNSRBMQXGES-AWEZNQCLSA-N 0 0 312.438 4.623 20 30 DJEDRN C=CCCCN(C)C(=O)c1cc(C2CC2)nc2c(C)cc(C)cc12 ZINC000437690324 338318459 /nfs/dbraw/zinc/31/84/59/338318459.db2.gz CNSWKFSKDRGKFI-UHFFFAOYSA-N 0 0 322.452 4.767 20 30 DJEDRN C=C(C)COc1cccc(NC(=O)N2CCCC(C)(C)CC2)c1 ZINC000438120240 338333176 /nfs/dbraw/zinc/33/31/76/338333176.db2.gz LNGPDSGJTLEXJZ-UHFFFAOYSA-N 0 0 316.445 4.686 20 30 DJEDRN C=CCc1cc(C)cc(OC)c1OCc1csc(C2CC2)n1 ZINC000438300145 338339026 /nfs/dbraw/zinc/33/90/26/338339026.db2.gz CSJNEYVSJJUDBM-UHFFFAOYSA-N 0 0 315.438 4.645 20 30 DJEDRN CC(C)(C)c1cnc(SCc2ccc(C#N)cc2Cl)o1 ZINC000438887612 338354785 /nfs/dbraw/zinc/35/47/85/338354785.db2.gz RDXFPCMMZDKUQX-UHFFFAOYSA-N 0 0 306.818 4.789 20 30 DJEDRN CC(C)(C#N)c1ccccc1COc1ccc(C#N)c(Cl)c1 ZINC000438886422 338354789 /nfs/dbraw/zinc/35/47/89/338354789.db2.gz MSYFKNFICSFSLZ-UHFFFAOYSA-N 0 0 310.784 4.592 20 30 DJEDRN CCCN(C(=O)c1ccc(C#N)cc1C)c1ccc(Cl)cc1 ZINC000438983383 338357712 /nfs/dbraw/zinc/35/77/12/338357712.db2.gz ZQUPLDRANIMFQI-UHFFFAOYSA-N 0 0 312.800 4.577 20 30 DJEDRN CCCN(C(=O)c1cc(C#N)oc1C)c1cccc2ccccc21 ZINC000439117122 338361390 /nfs/dbraw/zinc/36/13/90/338361390.db2.gz RKDWDCGFNGORKS-UHFFFAOYSA-N 0 0 318.376 4.670 20 30 DJEDRN CCCCOc1ccc(NC(=O)c2ccc(C#N)cc2C)c(C)c1 ZINC000439124625 338361762 /nfs/dbraw/zinc/36/17/62/338361762.db2.gz QSGVYHQBFGKAKI-UHFFFAOYSA-N 0 0 322.408 4.606 20 30 DJEDRN C=CC[C@@H](CC)NC(=O)Nc1cnn(CCC(C)C)c1C(C)C ZINC000439413534 338368631 /nfs/dbraw/zinc/36/86/31/338368631.db2.gz SXMVSYRJSUISCE-OAHLLOKOSA-N 0 0 320.481 4.529 20 30 DJEDRN C=CC[C@H](CC)NC(=O)Nc1ccc(-c2ccco2)cc1F ZINC000439411575 338368654 /nfs/dbraw/zinc/36/86/54/338368654.db2.gz TXBIPGVGATWZJO-ZDUSSCGKSA-N 0 0 302.349 4.562 20 30 DJEDRN C=CC[C@@H](CC)NC(=O)Nc1cccc(COC(C)(C)C)c1C ZINC000439445205 338369579 /nfs/dbraw/zinc/36/95/79/338369579.db2.gz YIEVEHJVNOGFSQ-MRXNPFEDSA-N 0 0 318.461 4.786 20 30 DJEDRN N#Cc1ccc(CNC2(c3ccc(Cl)cc3)CC2)c(Cl)c1 ZINC000439447940 338369786 /nfs/dbraw/zinc/36/97/86/338369786.db2.gz GEPBYXKYBSGTCX-UHFFFAOYSA-N 0 0 317.219 4.644 20 30 DJEDRN C=CC[C@H](CC)NC(=O)Nc1cc(-c2ccccc2)cnc1C ZINC000439461702 338370236 /nfs/dbraw/zinc/37/02/36/338370236.db2.gz MBRXLCYDBLEHJP-KRWDZBQOSA-N 0 0 309.413 4.533 20 30 DJEDRN C=CC[C@@H](CC)NC(=O)Nc1cccc(-c2ccccc2OC)c1 ZINC000439492245 338371706 /nfs/dbraw/zinc/37/17/06/338371706.db2.gz DIJPNGIUSAFTCR-MRXNPFEDSA-N 0 0 324.424 4.838 20 30 DJEDRN C=CC[C@H](CC)NC(=O)Nc1ccc(-c2nc(C)cs2)cc1 ZINC000439518550 338372335 /nfs/dbraw/zinc/37/23/35/338372335.db2.gz SDNUPBDTSVJSON-AWEZNQCLSA-N 0 0 315.442 4.595 20 30 DJEDRN Cc1ccccc1CCCNc1cccc(OCCCC#N)c1 ZINC000439536645 338372602 /nfs/dbraw/zinc/37/26/02/338372602.db2.gz VVSNDFZSXZEICN-UHFFFAOYSA-N 0 0 308.425 4.722 20 30 DJEDRN CC(C)(C)c1ccccc1NC(=O)CSc1ccccc1C#N ZINC000439715034 338376432 /nfs/dbraw/zinc/37/64/32/338376432.db2.gz CRFUMBXCVICERX-UHFFFAOYSA-N 0 0 324.449 4.587 20 30 DJEDRN C=CC[C@H](CC)NC(=O)Nc1cc(Cl)c(Cl)cc1F ZINC000439956933 338381591 /nfs/dbraw/zinc/38/15/91/338381591.db2.gz NMJWFWTXQVVGCA-QMMMGPOBSA-N 0 0 305.180 4.609 20 30 DJEDRN CC(C)(C)CC(C)(C)NC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000440249555 338384546 /nfs/dbraw/zinc/38/45/46/338384546.db2.gz ZSIHEYJGDKKWTA-INIZCTEOSA-N 0 0 315.461 4.545 20 30 DJEDRN Cc1ccc(/C=C/CC(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1 ZINC000440530209 338389347 /nfs/dbraw/zinc/38/93/47/338389347.db2.gz JENSFUWJUKYBIQ-SNAWJCMRSA-N 0 0 318.420 4.838 20 30 DJEDRN CSc1ccccc1[C@H](C)Nc1ncc(C#N)cc1Cl ZINC000440646011 338394171 /nfs/dbraw/zinc/39/41/71/338394171.db2.gz GMXFOICPUAKKTI-JTQLQIEISA-N 0 0 303.818 4.502 20 30 DJEDRN CCC[C@@H](CC1CCCCC1)C(=O)NCC1CCC(C#N)CC1 ZINC000441144519 338403079 /nfs/dbraw/zinc/40/30/79/338403079.db2.gz URHWMXWYQUWWEK-ACBHZAAOSA-N 0 0 318.505 4.819 20 30 DJEDRN N#C[C@@H]1CC[C@@H](Nc2cc(Cl)ccc2OCC2CCC2)C1 ZINC000442869563 338436630 /nfs/dbraw/zinc/43/66/30/338436630.db2.gz BWNKIIYHHKMYFS-UKRRQHHQSA-N 0 0 304.821 4.623 20 30 DJEDRN N#C[C@@H]1CC[C@H](Nc2cccc(OCc3cccc(F)c3)c2)C1 ZINC000442871091 338436706 /nfs/dbraw/zinc/43/67/06/338436706.db2.gz HANHPTYPJJKNCX-KDOFPFPSSA-N 0 0 310.372 4.509 20 30 DJEDRN Cc1noc(C)c1-c1ccc(OCc2ccc(C#N)c(C)c2)cc1 ZINC000447409522 338551884 /nfs/dbraw/zinc/55/18/84/338551884.db2.gz MMSSYIQQCRCVHL-UHFFFAOYSA-N 0 0 318.376 4.718 20 30 DJEDRN CC[C@@H](Nc1cccc(OCCCC#N)c1)c1ccc(C#N)cc1 ZINC000447573574 338557937 /nfs/dbraw/zinc/55/79/37/338557937.db2.gz IJGAGSRQPMFGDM-HXUWFJFHSA-N 0 0 319.408 4.804 20 30 DJEDRN N#C[C@@H]1CCC[C@@H](Nc2ccc(-c3cnc(C4CC4)o3)cc2)C1 ZINC000447606805 338561881 /nfs/dbraw/zinc/56/18/81/338561881.db2.gz NORSKNPTJYMFLT-CXAGYDPISA-N 0 0 307.397 4.713 20 30 DJEDRN C=CCCCNC(=O)Nc1cccc(COC(C)(C)CC)c1C ZINC000448003761 338573881 /nfs/dbraw/zinc/57/38/81/338573881.db2.gz JWEXDVNWFNLRDW-UHFFFAOYSA-N 0 0 318.461 4.788 20 30 DJEDRN C=CCCCNC(=O)Nc1cccc(COc2ccccc2)c1C ZINC000448005259 338573916 /nfs/dbraw/zinc/57/39/16/338573916.db2.gz UESBXQAXKYGFOK-UHFFFAOYSA-N 0 0 324.424 4.662 20 30 DJEDRN C=CCC1(C(=O)Nc2ccc(N3CCCC3)cc2C)CCCC1 ZINC000449119751 338594993 /nfs/dbraw/zinc/59/49/93/338594993.db2.gz AMWHIZFUOWAESO-UHFFFAOYSA-N 0 0 312.457 4.670 20 30 DJEDRN Cc1cc(CNc2cccc(CC#N)c2)c(OC(F)F)cc1C ZINC000449691800 338646697 /nfs/dbraw/zinc/64/66/97/338646697.db2.gz YKUZQAIZVVNXQH-UHFFFAOYSA-N 0 0 316.351 4.583 20 30 DJEDRN C=CCC(CC=C)C(=O)Nc1cccc(-c2nc(C)cs2)c1 ZINC000467317618 338654238 /nfs/dbraw/zinc/65/42/38/338654238.db2.gz BUAVOVDEEMTKIP-UHFFFAOYSA-N 0 0 312.438 4.825 20 30 DJEDRN C=CCC1(C(=O)N2CCc3c4ccccc4[nH]c3C2)CCCCC1 ZINC000450274659 338674751 /nfs/dbraw/zinc/67/47/51/338674751.db2.gz CBNLWIZPRPRHPR-UHFFFAOYSA-N 0 0 322.452 4.579 20 30 DJEDRN C=CC[C@@H]1N(C(=O)c2cc3cccnc3s2)CCCC1(C)C ZINC000451218663 338726383 /nfs/dbraw/zinc/72/63/83/338726383.db2.gz SBYNIQQXOFWIQT-HNNXBMFYSA-N 0 0 314.454 4.503 20 30 DJEDRN 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CC[C@H](C)Oc1cccc(NC(=O)Nc2cccc(CC#N)c2)c1 ZINC000455910909 338914028 /nfs/dbraw/zinc/91/40/28/338914028.db2.gz URRUBDPHWBFBFP-AWEZNQCLSA-N 0 0 323.396 4.574 20 30 DJEDRN Cc1cccc([C@H]2CCCN2C(=O)Nc2cc(C)cc(C#N)c2)c1 ZINC000455980438 338915616 /nfs/dbraw/zinc/91/56/16/338915616.db2.gz FZXGWWGWUHBDTC-LJQANCHMSA-N 0 0 319.408 4.544 20 30 DJEDRN C=C[C@H](CC(=O)Nc1scnc1C(C)C)c1ccccc1 ZINC000456437898 338930041 /nfs/dbraw/zinc/93/00/41/338930041.db2.gz MFAIIXSSKYGDSR-CYBMUJFWSA-N 0 0 300.427 4.565 20 30 DJEDRN C=CCCCN(C)C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000460145017 338952579 /nfs/dbraw/zinc/95/25/79/338952579.db2.gz BOZJHKWHWBUNOF-LSDHHAIUSA-N 0 0 312.240 4.522 20 30 DJEDRN Cc1cc(Sc2ccccc2)ccc1NC(=O)[C@]1(C#N)C[C@@H]1C ZINC000460056212 339052283 /nfs/dbraw/zinc/05/22/83/339052283.db2.gz WUXSYBOKPIRLEG-LIRRHRJNSA-N 0 0 322.433 4.635 20 30 DJEDRN CN(C(=O)c1ccc(-c2ccccc2)cc1)c1ccc(C#N)cc1 ZINC000461523514 339064689 /nfs/dbraw/zinc/06/46/89/339064689.db2.gz ZFJBACMESNZBCL-UHFFFAOYSA-N 0 0 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ZINC000464447947 339142359 /nfs/dbraw/zinc/14/23/59/339142359.db2.gz UKJDSZDSAJNSKT-MRXNPFEDSA-N 0 0 311.425 4.926 20 30 DJEDRN CCC(C)(C)N(CCC#N)C(=O)c1cc2cc(C)ccc2s1 ZINC000464458353 339142700 /nfs/dbraw/zinc/14/27/00/339142700.db2.gz IGSNRRRGMZGCGD-UHFFFAOYSA-N 0 0 314.454 4.754 20 30 DJEDRN C=CCCc1ccccc1NC(=O)c1ccoc1C(F)(F)F ZINC000464501814 339143811 /nfs/dbraw/zinc/14/38/11/339143811.db2.gz WSYYGTHRDKTQRR-UHFFFAOYSA-N 0 0 309.287 4.669 20 30 DJEDRN CC#CCCCC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000464519282 339144102 /nfs/dbraw/zinc/14/41/02/339144102.db2.gz HBLRRUKVHRIRMY-UHFFFAOYSA-N 0 0 304.604 4.779 20 30 DJEDRN C=C(C)C[C@@H](C)C(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000464541621 339144576 /nfs/dbraw/zinc/14/45/76/339144576.db2.gz VEXLIENEJJLYIQ-CYBMUJFWSA-N 0 0 310.397 4.760 20 30 DJEDRN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)c1cc2cccc(OCC)c2o1 ZINC000464545386 339144707 /nfs/dbraw/zinc/14/47/07/339144707.db2.gz CMVYPCRBFDDPNE-KGLIPLIRSA-N 0 0 315.413 4.611 20 30 DJEDRN 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IOYXXDMQGIYWAN-UHFFFAOYSA-N 0 0 312.413 4.642 20 30 DJEDRN CCCn1c2ccc(Cl)cc2nc1SCCCCC#N ZINC000475742441 339461283 /nfs/dbraw/zinc/46/12/83/339461283.db2.gz QAHDENYVJKBECA-UHFFFAOYSA-N 0 0 307.850 4.886 20 30 DJEDRN N#CC[C@H](CC(=O)N1CCCC2(CCCCC2)C1)c1ccccc1 ZINC000475907436 339464728 /nfs/dbraw/zinc/46/47/28/339464728.db2.gz SHBPYEBRTDHFRT-LJQANCHMSA-N 0 0 324.468 4.647 20 30 DJEDRN Cc1cc(C)c(C#N)c(SCc2cccc(C(F)F)c2)n1 ZINC000475937084 339465283 /nfs/dbraw/zinc/46/52/83/339465283.db2.gz DBNOPJMANPOFKV-UHFFFAOYSA-N 0 0 304.365 4.800 20 30 DJEDRN C=CCCC1(C(=O)N2CC[C@@H](c3ccccc3)[C@H](CC)C2)CC1 ZINC000476221010 339471557 /nfs/dbraw/zinc/47/15/57/339471557.db2.gz RMMSKIDJZIWAGP-IEBWSBKVSA-N 0 0 311.469 4.775 20 30 DJEDRN CCC(CC)N(CC(C)C)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000476233568 339471825 /nfs/dbraw/zinc/47/18/25/339471825.db2.gz DNZWPOQTATZCLT-UHFFFAOYSA-N 0 0 314.473 4.775 20 30 DJEDRN C=CCCC1(C(=O)Nc2cccc(COC(C)(C)C)c2C)CC1 ZINC000476239477 339471985 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CCC[C@@H](CC)S[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000477074414 339486157 /nfs/dbraw/zinc/48/61/57/339486157.db2.gz RZZHUDDOBRALRH-NVXWUHKLSA-N 0 0 318.486 4.634 20 30 DJEDRN C=CC[C@@H](C(=O)N1CC[C@H](c2ccc(F)cc2)C1)c1ccccc1 ZINC000478215569 339510600 /nfs/dbraw/zinc/51/06/00/339510600.db2.gz XJRAZZXZEHLGNQ-AZUAARDMSA-N 0 0 323.411 4.502 20 30 DJEDRN C[C@H](C#N)CSc1ccccc1NCc1ncc(Cl)s1 ZINC000478331343 339513666 /nfs/dbraw/zinc/51/36/66/339513666.db2.gz CIZRIFMUMNWROO-SNVBAGLBSA-N 0 0 323.874 4.660 20 30 DJEDRN N#Cc1cc(Cl)ccc1CNc1ccc(CC(F)(F)F)cc1 ZINC000478391169 339514726 /nfs/dbraw/zinc/51/47/26/339514726.db2.gz LMUVFJYDFBBEJV-UHFFFAOYSA-N 0 0 324.733 4.929 20 30 DJEDRN C=CCCCC(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000478438475 339515377 /nfs/dbraw/zinc/51/53/77/339515377.db2.gz LOEMEWUVWLTBBK-UHFFFAOYSA-N 0 0 323.358 4.677 20 30 DJEDRN Cc1coc(SCc2ccc(-c3ccccc3C#N)cc2)n1 ZINC000478718186 339521118 /nfs/dbraw/zinc/52/11/18/339521118.db2.gz KGHKTZLTFNONRL-UHFFFAOYSA-N 0 0 306.390 4.814 20 30 DJEDRN C=CCOCCCS[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000479602428 339543243 /nfs/dbraw/zinc/54/32/43/339543243.db2.gz JKLVWFBYFJUVQA-AWEZNQCLSA-N 0 0 303.427 4.729 20 30 DJEDRN C=CCOCCCSCc1csc(-c2ccsc2)n1 ZINC000479601559 339543266 /nfs/dbraw/zinc/54/32/66/339543266.db2.gz VKEICDOAVYQCTQ-UHFFFAOYSA-N 0 0 311.497 4.698 20 30 DJEDRN Cc1c2cc(Cl)ccc2oc1C(=O)N(C)c1ccccc1C#N ZINC000479695804 339546201 /nfs/dbraw/zinc/54/62/01/339546201.db2.gz YBLXSGBAWGSHLC-UHFFFAOYSA-N 0 0 324.767 4.543 20 30 DJEDRN C=CCN(CC1CCCCC1)C(=O)CC(C)(C)C(F)(F)F ZINC000480016210 339555607 /nfs/dbraw/zinc/55/56/07/339555607.db2.gz RHSRNAJMMCWXAA-UHFFFAOYSA-N 0 0 305.384 4.560 20 30 DJEDRN C=CC1CCN(C(=O)c2cc3c(cc(Cl)cc3Cl)[nH]2)CC1 ZINC000480093318 339558928 /nfs/dbraw/zinc/55/89/28/339558928.db2.gz NNIAFRKFRJAARD-UHFFFAOYSA-N 0 0 323.223 4.513 20 30 DJEDRN C=C(C)COc1cccc(NCc2ccc(Br)o2)c1 ZINC000480299426 339567789 /nfs/dbraw/zinc/56/77/89/339567789.db2.gz CINWUVMACNCUQT-UHFFFAOYSA-N 0 0 322.202 4.609 20 30 DJEDRN C=CCCCC(=O)N(Cc1ccc(C)o1)c1ccc(F)cc1 ZINC000480877973 339589272 /nfs/dbraw/zinc/58/92/72/339589272.db2.gz MAUIAYCFRUVZCE-UHFFFAOYSA-N 0 0 301.361 4.617 20 30 DJEDRN C=CC[C@@H]1N(C(=O)CC(C)(C)C(F)(F)F)CCCC1(C)C ZINC000481140901 339596328 /nfs/dbraw/zinc/59/63/28/339596328.db2.gz OUUWCHHFNMYFMO-LBPRGKRZSA-N 0 0 305.384 4.558 20 30 DJEDRN CCCCN(CC)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000482053764 339621134 /nfs/dbraw/zinc/62/11/34/339621134.db2.gz OPMQOHXPUMSHDK-UHFFFAOYSA-N 0 0 322.408 4.613 20 30 DJEDRN CCCCc1ccc(NC(=O)CSc2ccc(C#N)cc2)cc1 ZINC000482164027 339625237 /nfs/dbraw/zinc/62/52/37/339625237.db2.gz OAXCWCPLCLYHHC-UHFFFAOYSA-N 0 0 324.449 4.632 20 30 DJEDRN CCN(Cc1ccc2ccccc2c1)C(=O)C1(C#N)CCCCC1 ZINC000482435683 339631284 /nfs/dbraw/zinc/63/12/84/339631284.db2.gz LHHOOZOHYDUORR-UHFFFAOYSA-N 0 0 320.436 4.662 20 30 DJEDRN CCC[C@H](C)N(C)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000482988088 339649260 /nfs/dbraw/zinc/64/92/60/339649260.db2.gz OTQVSPACCGIFNX-HNNXBMFYSA-N 0 0 322.408 4.611 20 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0 0 311.450 4.695 20 30 DJEDRN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Sc1ccc(C#N)cc1F ZINC000484540821 339689317 /nfs/dbraw/zinc/68/93/17/339689317.db2.gz HUDWLEYVPVSTLP-LLVKDONJSA-N 0 0 316.357 4.767 20 30 DJEDRN C[C@@H](NCC#N)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000484803136 339693597 /nfs/dbraw/zinc/69/35/97/339693597.db2.gz MWGPWNLFXZOSKD-SNVBAGLBSA-N 0 0 310.344 4.608 20 30 DJEDRN C=CCN(CC1CCCCC1)C(=O)c1cc(C)n(C2CC2)c1C ZINC000484908031 339695232 /nfs/dbraw/zinc/69/52/32/339695232.db2.gz QCSBPTYWCLYSDW-UHFFFAOYSA-N 0 0 314.473 4.648 20 30 DJEDRN C=CCSc1ccccc1C(=O)Nc1cc(C)ccc1F ZINC000485469998 339703995 /nfs/dbraw/zinc/70/39/95/339703995.db2.gz QJWRCSCCMKJLQA-UHFFFAOYSA-N 0 0 301.386 4.665 20 30 DJEDRN C[C@H](SC(C)(C)c1ccccc1)C(=O)Nc1ccccc1C#N ZINC000485498047 339704468 /nfs/dbraw/zinc/70/44/68/339704468.db2.gz HPSKKRZDGKUXHW-AWEZNQCLSA-N 0 0 324.449 4.554 20 30 DJEDRN C=CCC(CC=C)C(=O)N1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000485517102 339704833 /nfs/dbraw/zinc/70/48/33/339704833.db2.gz GVZHVDQOLLJKLU-NJYVYQBISA-N 0 0 323.480 4.940 20 30 DJEDRN C=CCSc1ccccc1C(=O)Nc1nc(CC)c(C)s1 ZINC000485748567 339712130 /nfs/dbraw/zinc/71/21/30/339712130.db2.gz ZZFFEVKKJAPHIB-UHFFFAOYSA-N 0 0 318.467 4.544 20 30 DJEDRN C=CCSc1ccccc1C(=O)Nc1ccc(C)cc1OC ZINC000485756206 339712192 /nfs/dbraw/zinc/71/21/92/339712192.db2.gz PTNYHIJCJHTWJA-UHFFFAOYSA-N 0 0 313.422 4.534 20 30 DJEDRN CCCC(C)(C)CC(=O)Nc1cccc(OCCCC#N)c1 ZINC000485761683 339712354 /nfs/dbraw/zinc/71/23/54/339712354.db2.gz FNAAQRMVYRCSCZ-UHFFFAOYSA-N 0 0 302.418 4.524 20 30 DJEDRN N#Cc1cc(F)c(CNc2ccc(-c3ccccc3)cn2)c(F)c1 ZINC000485975175 339717586 /nfs/dbraw/zinc/71/75/86/339717586.db2.gz GOZCQEWTJZJQCT-UHFFFAOYSA-N 0 0 321.330 4.511 20 30 DJEDRN C=CCSc1ccccc1C(=O)Nc1ccc2[nH]ccc2c1 ZINC000486115528 339721551 /nfs/dbraw/zinc/72/15/51/339721551.db2.gz DGTIRIXOOWJLQX-UHFFFAOYSA-N 0 0 308.406 4.698 20 30 DJEDRN CC(C)(C#N)c1ccccc1CNc1ccc(F)c(Cl)c1 ZINC000486431161 339727161 /nfs/dbraw/zinc/72/71/61/339727161.db2.gz CLYKUHCRVIDOFJ-UHFFFAOYSA-N 0 0 302.780 4.892 20 30 DJEDRN CCCOc1cccc(NCc2ccccc2C(C)(C)C#N)c1 ZINC000486437408 339727323 /nfs/dbraw/zinc/72/73/23/339727323.db2.gz VNAOLNJOJLLQHH-UHFFFAOYSA-N 0 0 308.425 4.889 20 30 DJEDRN Cc1ccc(-c2cnc(CNc3ccc(C#N)cc3Cl)o2)cc1 ZINC000486571903 339729361 /nfs/dbraw/zinc/72/93/61/339729361.db2.gz DOHHGRCRFIBGHS-UHFFFAOYSA-N 0 0 323.783 4.787 20 30 DJEDRN CCCN(C(=O)c1ccc(C#N)s1)[C@H](CC)c1ccccc1 ZINC000486916755 339738009 /nfs/dbraw/zinc/73/80/09/339738009.db2.gz UYOPOUJJJGEAPE-MRXNPFEDSA-N 0 0 312.438 4.623 20 30 DJEDRN N#Cc1ccc(N[C@H]2CCCC(F)(F)C2)cc1C(F)(F)F ZINC000486923896 339738236 /nfs/dbraw/zinc/73/82/36/339738236.db2.gz ZYPNGMIMTQKSPZ-NSHDSACASA-N 0 0 304.262 4.567 20 30 DJEDRN CCCC[C@H](CC)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000487184811 339745599 /nfs/dbraw/zinc/74/55/99/339745599.db2.gz JLCIJOICWVOGJI-WMZOPIPTSA-N 0 0 300.446 4.754 20 30 DJEDRN Cc1oc(-c2ccccc2)nc1COc1cc(Cl)cc(C#N)c1 ZINC000487389442 339752722 /nfs/dbraw/zinc/75/27/22/339752722.db2.gz NPLSVVGMWSUFHH-UHFFFAOYSA-N 0 0 324.767 4.754 20 30 DJEDRN CC[C@H]1CC[C@H](C(=O)N[C@H](CCCC#N)c2ccccc2)CC1 ZINC000487563004 339757612 /nfs/dbraw/zinc/75/76/12/339757612.db2.gz GFXAODVDDNGCLF-BHIYHBOVSA-N 0 0 312.457 4.754 20 30 DJEDRN CC[C@H]1CC[C@H](C(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000487563006 339757619 /nfs/dbraw/zinc/75/76/19/339757619.db2.gz GFXAODVDDNGCLF-WDSOQIARSA-N 0 0 312.457 4.754 20 30 DJEDRN C=CCC[C@@H](C(=O)N[C@H](C)c1cccc(OC)c1)c1ccccc1 ZINC000487685462 339761025 /nfs/dbraw/zinc/76/10/25/339761025.db2.gz HZUPPOXQDDGTTP-OXQOHEQNSA-N 0 0 323.436 4.622 20 30 DJEDRN C=CC[C@H](C(=O)N(CC)Cc1cccc(F)c1)c1ccccc1 ZINC000487765983 339762931 /nfs/dbraw/zinc/76/29/31/339762931.db2.gz MRMQTIYVVKCHMH-IBGZPJMESA-N 0 0 311.400 4.534 20 30 DJEDRN Cc1ccc2ncc(C#N)c(N3CCC[C@@H]3c3cccs3)c2c1 ZINC000487937715 339766436 /nfs/dbraw/zinc/76/64/36/339766436.db2.gz AJQKDUKGSWZRAT-QGZVFWFLSA-N 0 0 319.433 4.818 20 30 DJEDRN CCC[C@H](C(=O)N(CC)[C@@H](C)c1ccc(C#N)cc1)C(C)C ZINC000487954640 339766721 /nfs/dbraw/zinc/76/67/21/339766721.db2.gz VCWKDTVOWKSQFF-YJBOKZPZSA-N 0 0 300.446 4.540 20 30 DJEDRN Cc1nc(N2CCC[C@H]2c2cccc3ccccc32)ccc1C#N ZINC000488094455 339770259 /nfs/dbraw/zinc/77/02/59/339770259.db2.gz YPCURFVCRACMNV-FQEVSTJZSA-N 0 0 313.404 4.756 20 30 DJEDRN CC(C)c1cnc(SCc2cccc(F)c2C#N)n1C(C)C ZINC000488232104 339774009 /nfs/dbraw/zinc/77/40/09/339774009.db2.gz MYCARVJKMBDSFZ-UHFFFAOYSA-N 0 0 317.433 4.890 20 30 DJEDRN N#Cc1c(F)cccc1CSc1cccc(Cl)c1C#N ZINC000488259722 339774759 /nfs/dbraw/zinc/77/47/59/339774759.db2.gz VEINMRXDMAFULF-UHFFFAOYSA-N 0 0 302.761 4.515 20 30 DJEDRN N#Cc1ccc(C(=O)N2CCC[C@@H]2CCC2CCCCC2)s1 ZINC000488335251 339777523 /nfs/dbraw/zinc/77/75/23/339777523.db2.gz PYGAGUYCXBQGJI-OAHLLOKOSA-N 0 0 316.470 4.585 20 30 DJEDRN C[C@H](SCc1ccc(F)cc1C#N)c1ccc(F)cc1F ZINC000488551848 339787407 /nfs/dbraw/zinc/78/74/07/339787407.db2.gz IKSRRIWHKKZNBY-JTQLQIEISA-N 0 0 307.340 4.970 20 30 DJEDRN C=C(C)CNC(=O)N(C)[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000488643539 339789817 /nfs/dbraw/zinc/78/98/17/339789817.db2.gz LGFRMGWYKIEZCD-MRXNPFEDSA-N 0 0 308.425 4.632 20 30 DJEDRN C=CC[C@H](C(=O)Nc1ccc2ncccc2c1)c1ccccc1 ZINC000488675487 339790291 /nfs/dbraw/zinc/79/02/91/339790291.db2.gz IXRDNFSTRYMZNA-SFHVURJKSA-N 0 0 302.377 4.533 20 30 DJEDRN C=CC[C@H](C(=O)N(CC=C)Cc1ccccc1F)c1ccccc1 ZINC000488704013 339790898 /nfs/dbraw/zinc/79/08/98/339790898.db2.gz QJDJAKXRRGDIFU-IBGZPJMESA-N 0 0 323.411 4.700 20 30 DJEDRN CC(C)C[C@@](C)(C#N)NC(=O)C/C=C/c1ccc(C(C)C)cc1 ZINC000489225199 339803819 /nfs/dbraw/zinc/80/38/19/339803819.db2.gz QUTNARUIONRAEV-YJJPMGAVSA-N 0 0 312.457 4.658 20 30 DJEDRN Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)Nc1sccc1C#N ZINC000489493239 339810656 /nfs/dbraw/zinc/81/06/56/339810656.db2.gz RRKDEQXTKHAICX-TZMCWYRMSA-N 0 0 310.422 4.548 20 30 DJEDRN CC(C)c1ccc(/C=C/CC(=O)N(C)c2ccc(C#N)cc2)cc1 ZINC000489898659 339820768 /nfs/dbraw/zinc/82/07/68/339820768.db2.gz IFLMUGDHLMLWTL-SNAWJCMRSA-N 0 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KALWIHXHDKISIV-KGLIPLIRSA-N 0 0 313.363 4.584 20 30 DJEDRN C=CC1CCN(C(=O)Nc2cccc(-c3ccccc3)c2)CC1 ZINC000495476596 339985558 /nfs/dbraw/zinc/98/55/58/339985558.db2.gz VPNWDSDEIPRIEQ-UHFFFAOYSA-N 0 0 306.409 4.784 20 30 DJEDRN CCC[C@@H](C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000499331648 340034982 /nfs/dbraw/zinc/03/49/82/340034982.db2.gz VLMDQDVJHWVFPT-GFCCVEGCSA-N 0 0 304.459 4.653 20 30 DJEDRN CCC[C@H](CC1CCCCC1)C(=O)NCc1cccc(C#N)c1 ZINC000499345287 340035110 /nfs/dbraw/zinc/03/51/10/340035110.db2.gz ZJYVRMAFRTZCMQ-LJQANCHMSA-N 0 0 312.457 4.561 20 30 DJEDRN CCC[C@@H](CC1CCCC1)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000499415564 340036484 /nfs/dbraw/zinc/03/64/84/340036484.db2.gz RIMHZGAELGDIJN-KXBFYZLASA-N 0 0 312.457 4.732 20 30 DJEDRN N#Cc1ccccc1CSc1ccc(C#N)c(C(F)(F)F)c1 ZINC000499488665 340037837 /nfs/dbraw/zinc/03/78/37/340037837.db2.gz XQAUDROBYGUOEC-UHFFFAOYSA-N 0 0 318.323 4.741 20 30 DJEDRN CCCN(CCCC1(C#N)CCOCC1)c1ccc(Cl)cc1 ZINC000499547740 340039236 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ZINC000500240279 340053687 /nfs/dbraw/zinc/05/36/87/340053687.db2.gz LVPZWCSMUKUFND-UHFFFAOYSA-N 0 0 324.449 4.583 20 30 DJEDRN C=CCCc1ccccc1NCc1ncc(C(F)(F)F)s1 ZINC000500394696 340056449 /nfs/dbraw/zinc/05/64/49/340056449.db2.gz FMADMEKUHLSADO-UHFFFAOYSA-N 0 0 312.360 4.893 20 30 DJEDRN N#Cc1ccc(N[C@H]2CCc3c2ccc(Cl)c3Cl)cc1 ZINC000500415978 340057615 /nfs/dbraw/zinc/05/76/15/340057615.db2.gz SSEMBSGFRVJUAW-HNNXBMFYSA-N 0 0 303.192 4.964 20 30 DJEDRN C=CCCc1ccccc1NCc1csc(-c2ccccn2)n1 ZINC000500452457 340059265 /nfs/dbraw/zinc/05/92/65/340059265.db2.gz QJGODBIENACELG-UHFFFAOYSA-N 0 0 321.449 4.936 20 30 DJEDRN Cc1ccc(-c2ncc(CNc3cccc(C#N)c3C)s2)o1 ZINC000500751031 340066449 /nfs/dbraw/zinc/06/64/49/340066449.db2.gz NBODTDNXHZJNNC-UHFFFAOYSA-N 0 0 309.394 4.504 20 30 DJEDRN N#Cc1ccccc1N(Cc1ccco1)C(=O)CC1CCCCC1 ZINC000501021351 340072450 /nfs/dbraw/zinc/07/24/50/340072450.db2.gz OPYVIGPKLGTICF-UHFFFAOYSA-N 0 0 322.408 4.655 20 30 DJEDRN C=CCN(Cc1ccc(Cl)s1)C(=O)NCCCC(C)C ZINC000501064777 340073535 /nfs/dbraw/zinc/07/35/35/340073535.db2.gz RVNCULRVJQKOKL-UHFFFAOYSA-N 0 0 314.882 4.535 20 30 DJEDRN C=CCCC[C@@H](C)NC(=O)N(C)[C@H](CC)c1cccc(OC)c1 ZINC000501570444 340084039 /nfs/dbraw/zinc/08/40/39/340084039.db2.gz VJCVOYZQELAKDJ-CRAIPNDOSA-N 0 0 318.461 4.533 20 30 DJEDRN CC(C)(C#N)CC(=O)N[C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000501673967 340086510 /nfs/dbraw/zinc/08/65/10/340086510.db2.gz OBIZRYRDZMDCSK-QGZVFWFLSA-N 0 0 318.848 4.627 20 30 DJEDRN C[C@@H](c1ccc(F)c(F)c1)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502507383 340106351 /nfs/dbraw/zinc/10/63/51/340106351.db2.gz NBIFXQUDNQWVPT-AWEZNQCLSA-N 0 0 324.374 4.687 20 30 DJEDRN C=CCOc1cccc(NC(=O)Nc2cccc(SC)c2)c1 ZINC000502588913 340108470 /nfs/dbraw/zinc/10/84/70/340108470.db2.gz ZXXWGAZJNNXOLQ-UHFFFAOYSA-N 0 0 314.410 4.617 20 30 DJEDRN CC1(C#N)CCN(c2ccc3ccc(Cl)c(Cl)c3n2)CC1 ZINC000503303062 340125014 /nfs/dbraw/zinc/12/50/14/340125014.db2.gz MQVKPILBICXLRN-UHFFFAOYSA-N 0 0 320.223 4.672 20 30 DJEDRN C=CCN(Cc1cccs1)C(=O)N[C@H]1CCCC[C@@H]1C(C)C ZINC000503754728 340134312 /nfs/dbraw/zinc/13/43/12/340134312.db2.gz YOKJPMCBRZRZJT-SJORKVTESA-N 0 0 320.502 4.661 20 30 DJEDRN C=C(C)CN(CC)C(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000503830548 340135004 /nfs/dbraw/zinc/13/50/04/340135004.db2.gz SZUQAIVWEOKVJM-HXUWFJFHSA-N 0 0 322.452 4.578 20 30 DJEDRN C=CCOc1ccccc1-c1nc(-c2ccccc2Cl)no1 ZINC000504254750 340143889 /nfs/dbraw/zinc/14/38/89/340143889.db2.gz VFCWBORGEMIUEY-UHFFFAOYSA-N 0 0 312.756 4.622 20 30 DJEDRN C=CCCc1ccccc1NC(=O)c1cn(C)c2ccccc12 ZINC000504270683 340144083 /nfs/dbraw/zinc/14/40/83/340144083.db2.gz JINUOCFXETZROA-UHFFFAOYSA-N 0 0 304.393 4.549 20 30 DJEDRN C=CCCc1ccccc1NC(=O)[C@@H]1CCCc2c(O)cccc21 ZINC000504284345 340144343 /nfs/dbraw/zinc/14/43/43/340144343.db2.gz OBNFYQXXIQCEFD-GOSISDBHSA-N 0 0 321.420 4.569 20 30 DJEDRN C=CCCc1ccccc1NC(=O)c1cnn([C@@H](C)CC)c1C ZINC000504283742 340144397 /nfs/dbraw/zinc/14/43/97/340144397.db2.gz HZMNBEVDXWONGW-AWEZNQCLSA-N 0 0 311.429 4.533 20 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0 0 320.436 4.654 20 30 DJEDRN C=CCCc1ccccc1NC(=O)N[C@H](C)c1cccc(OC)c1 ZINC000505050566 340160138 /nfs/dbraw/zinc/16/01/38/340160138.db2.gz DEHZRNIVIBUVPW-OAHLLOKOSA-N 0 0 324.424 4.697 20 30 DJEDRN C=CCCc1ccccc1NC(=O)N1CCSC(C)(C)CC1 ZINC000505057086 340160245 /nfs/dbraw/zinc/16/02/45/340160245.db2.gz GSQBFNRPJWZPQA-UHFFFAOYSA-N 0 0 318.486 4.555 20 30 DJEDRN C=CCCc1ccccc1NC(=O)N1CCC[C@@H]1c1cccnc1 ZINC000505056467 340160261 /nfs/dbraw/zinc/16/02/61/340160261.db2.gz BTGVMHMDTDDGAI-LJQANCHMSA-N 0 0 321.424 4.569 20 30 DJEDRN Cc1nc(-c2cccc(NCc3ccc(C#N)cc3F)c2)cs1 ZINC000505259230 340165047 /nfs/dbraw/zinc/16/50/47/340165047.db2.gz FEQQHCRFCGZSEW-UHFFFAOYSA-N 0 0 323.396 4.741 20 30 DJEDRN N#Cc1ccsc1C(=O)N(Cc1ccsc1)c1ccccc1 ZINC000505336397 340166446 /nfs/dbraw/zinc/16/64/46/340166446.db2.gz BIRMWWLTTZEDIB-UHFFFAOYSA-N 0 0 324.430 4.528 20 30 DJEDRN CCC[C@H](C)CC(=O)N[C@H](C#N)c1c(Cl)cccc1Cl ZINC000505539185 340170567 /nfs/dbraw/zinc/17/05/67/340170567.db2.gz FRIHWPBGUPUSAP-GXFFZTMASA-N 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ZINC000531571414 333537596 /nfs/dbraw/zinc/53/75/96/333537596.db2.gz QTJYIYBHQGBBJT-UHFFFAOYSA-N 0 0 300.789 4.595 20 30 DJEDRN C=C[C@H](CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000533970777 333552413 /nfs/dbraw/zinc/55/24/13/333552413.db2.gz MCRQSNCPRAFNRR-CYBMUJFWSA-N 0 0 310.784 4.510 20 30 DJEDRN C=CCCc1csc([C@H](C)n2cnc3cc(C)c(C)cc32)n1 ZINC000534143979 333562884 /nfs/dbraw/zinc/56/28/84/333562884.db2.gz LVOPXPMNUCCROJ-AWEZNQCLSA-N 0 0 311.454 4.838 20 30 DJEDRN C=CCC(C)(C)c1noc(-c2cccc(-c3cscn3)c2)n1 ZINC000563672091 333653002 /nfs/dbraw/zinc/65/30/02/333653002.db2.gz BDMJUGLTJCRBOF-UHFFFAOYSA-N 0 0 311.410 4.714 20 30 DJEDRN C=C(C)C[C@@H](C)C(=O)Nc1cc(NC(=O)CCC)ccc1Cl ZINC000186108040 335156285 /nfs/dbraw/zinc/15/62/85/335156285.db2.gz KVSKTTYQEYPQPV-GFCCVEGCSA-N 0 0 322.836 4.619 20 30 DJEDRN C=CCCC1(C(=O)N2C[C@@H](c3ccccc3)C3(CCC3)C2)CC1 ZINC000412662468 333776890 /nfs/dbraw/zinc/77/68/90/333776890.db2.gz AYMPXALBKFJUSD-SFHVURJKSA-N 0 0 309.453 4.529 20 30 DJEDRN C=CCC1(C(=O)N2C[C@H](c3ccccc3)C3(CCC3)C2)CCC1 ZINC000412685554 333784287 /nfs/dbraw/zinc/78/42/87/333784287.db2.gz YYROPKGUWSQNBX-GOSISDBHSA-N 0 0 309.453 4.529 20 30 DJEDRN C=CCC1(C(=O)N2C[C@@H](c3ccccc3)C3(CCC3)C2)CCC1 ZINC000412685555 333784348 /nfs/dbraw/zinc/78/43/48/333784348.db2.gz YYROPKGUWSQNBX-SFHVURJKSA-N 0 0 309.453 4.529 20 30 DJEDRN N#CC1(CC[S@@](=O)c2ccc3ccccc3c2)CCCCC1 ZINC000414232633 333927021 /nfs/dbraw/zinc/92/70/21/333927021.db2.gz IEQSUFFBVKQNOZ-JOCHJYFZSA-N 0 0 311.450 4.812 20 30 DJEDRN CC(C)c1cccc(C(C)C)c1NC(=O)N(C)C[C@H](C)C#N ZINC000264079947 333951369 /nfs/dbraw/zinc/95/13/69/333951369.db2.gz CYWYGRVAJOAVCK-CQSZACIVSA-N 0 0 301.434 4.557 20 30 DJEDRN N#CCCSc1ccccc1NC(=O)CCC1CCCC1 ZINC000264558511 333958038 /nfs/dbraw/zinc/95/80/38/333958038.db2.gz QNCAFDOCEFDSNR-UHFFFAOYSA-N 0 0 302.443 4.601 20 30 DJEDRN CC(C)c1oc([C@@H]2CCCN2CCC#N)nc1-c1ccccc1 ZINC000266881149 333976775 /nfs/dbraw/zinc/97/67/75/333976775.db2.gz AHQMUPYNBIPGFA-INIZCTEOSA-N 0 0 309.413 4.516 20 30 DJEDRN C[C@H](NCc1ccccc1C(C)(C)C#N)c1c(F)cccc1F ZINC000271634053 334024734 /nfs/dbraw/zinc/02/47/34/334024734.db2.gz BSMQPFJSPHNMDT-ZDUSSCGKSA-N 0 0 314.379 4.617 20 30 DJEDRN N#Cc1ccc(CNc2cccc(Br)c2Cl)cc1 ZINC000571650815 334040344 /nfs/dbraw/zinc/04/03/44/334040344.db2.gz MCPRQJHJDQIBLC-UHFFFAOYSA-N 0 0 321.605 4.586 20 30 DJEDRN Cc1ccccc1-c1noc([C@H](C)SCCC(C)(C)C#N)n1 ZINC000276574963 334082275 /nfs/dbraw/zinc/08/22/75/334082275.db2.gz FTIWQDCANPQEGC-ZDUSSCGKSA-N 0 0 315.442 4.779 20 30 DJEDRN CCCCCCC[C@H](CC(=O)[O-])[NH2+]Cc1ccccc1Cl ZINC000277137060 334086793 /nfs/dbraw/zinc/08/67/93/334086793.db2.gz BWBCECZPLOYRNO-OAHLLOKOSA-N 0 0 311.853 4.633 20 30 DJEDRN CCCCCCC[C@@H](CC(=O)[O-])[NH2+]C/C=C/c1ccc(F)cc1 ZINC000277278194 334087485 /nfs/dbraw/zinc/08/74/85/334087485.db2.gz LUFBBMSQRBXQRW-DVBCCOPCSA-N 0 0 321.436 4.632 20 30 DJEDRN CCCCCCC[C@H](CC(=O)[O-])[NH2+]Cc1cccc(C)c1C ZINC000277491222 334088652 /nfs/dbraw/zinc/08/86/52/334088652.db2.gz XAUIIOKOAQCKAR-GOSISDBHSA-N 0 0 305.462 4.597 20 30 DJEDRN CC(C)(CCC#N)CNc1cccc(-c2ncc3n2CCCC3)c1 ZINC000277777649 334090788 /nfs/dbraw/zinc/09/07/88/334090788.db2.gz UQDZTGHFVBOREC-UHFFFAOYSA-N 0 0 322.456 4.628 20 30 DJEDRN CC(C)(C#N)CCCC[S@@](=O)[C@@H]1CCc2c1cccc2Cl ZINC000277942297 334092072 /nfs/dbraw/zinc/09/20/72/334092072.db2.gz QOBVJGACDBZPSJ-IIBYNOLFSA-N 0 0 323.889 4.796 20 30 DJEDRN Cc1c(CSC(C)C)cccc1NC(=O)CC(C)(C)C#N ZINC000278281952 334094353 /nfs/dbraw/zinc/09/43/53/334094353.db2.gz GEADDYVNVKDRLJ-UHFFFAOYSA-N 0 0 304.459 4.515 20 30 DJEDRN CC(C)(C#N)CCCC[S@](=O)[C@@H]1CCCc2ccccc21 ZINC000278341478 334095406 /nfs/dbraw/zinc/09/54/06/334095406.db2.gz UXVNUTOQRLNXTE-UTKZUKDTSA-N 0 0 303.471 4.533 20 30 DJEDRN CCc1cccc(CC)c1NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000279831885 334112248 /nfs/dbraw/zinc/11/22/48/334112248.db2.gz GWLSADCKSRKUFH-UHFFFAOYSA-N 0 0 320.436 4.865 20 30 DJEDRN Cc1ccccc1[C@H](C)SCCCC1(C#N)CCOCC1 ZINC000280908034 334121115 /nfs/dbraw/zinc/12/11/15/334121115.db2.gz AABJLYRGYWHHFB-INIZCTEOSA-N 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0 307.434 4.720 20 30 DJEDRN C=CCCCCNC(=O)CCCc1cccc(C(F)(F)F)c1 ZINC000471664650 334158158 /nfs/dbraw/zinc/15/81/58/334158158.db2.gz AAVLLYYWVFMFNC-UHFFFAOYSA-N 0 0 313.363 4.501 20 30 DJEDRN N#CCCN(CC1CC1)C(=O)Nc1cccc(-c2ccccc2)c1 ZINC000287655173 334158220 /nfs/dbraw/zinc/15/82/20/334158220.db2.gz KJXPRRACHINWCD-UHFFFAOYSA-N 0 0 319.408 4.511 20 30 DJEDRN Cc1c(Cl)cccc1NC(=O)[C@H](C)SCCC(C)(C)C#N ZINC000289400838 334164775 /nfs/dbraw/zinc/16/47/75/334164775.db2.gz NFTHXTCBCNDWAU-LBPRGKRZSA-N 0 0 324.877 4.649 20 30 DJEDRN Cc1ccc(Cl)cc1NC(=O)[C@H](C)SCCC(C)(C)C#N ZINC000289407803 334165010 /nfs/dbraw/zinc/16/50/10/334165010.db2.gz OERLEYSXNPYPKX-LBPRGKRZSA-N 0 0 324.877 4.649 20 30 DJEDRN CC(C)(C)Sc1ccc(-c2noc(CC(C)(C)C#N)n2)cc1 ZINC000289983425 334170238 /nfs/dbraw/zinc/17/02/38/334170238.db2.gz DJUGQQJJQQTDPC-UHFFFAOYSA-N 0 0 315.442 4.719 20 30 DJEDRN Cc1cccc(COc2ccc(NC(=O)CCCC#N)c(C)c2)c1 ZINC000291642478 334180557 /nfs/dbraw/zinc/18/05/57/334180557.db2.gz HLDWZWBNPIAPGJ-UHFFFAOYSA-N 0 0 322.408 4.515 20 30 DJEDRN C[C@@H](NC(=O)[C@@]1(C#N)CC12CCCC2)c1cc2ccccc2s1 ZINC000294605352 334211302 /nfs/dbraw/zinc/21/13/02/334211302.db2.gz MMQISZGUFHBNQX-YJYMSZOUSA-N 0 0 324.449 4.553 20 30 DJEDRN C[C@H](NC(=O)[C@]1(C#N)CC12CCCC2)c1cc2ccccc2s1 ZINC000294605342 334211379 /nfs/dbraw/zinc/21/13/79/334211379.db2.gz MMQISZGUFHBNQX-ORAYPTAESA-N 0 0 324.449 4.553 20 30 DJEDRN CC(C)c1ccc(-c2nnc(S[C@H]3CC[C@H](C#N)C3)o2)cc1 ZINC000296100276 334229955 /nfs/dbraw/zinc/22/99/55/334229955.db2.gz UOBWSNUGPZITHB-WFASDCNBSA-N 0 0 313.426 4.644 20 30 DJEDRN N#CC[C@@H]1CC[C@H](NC(=O)Nc2cccc(-c3ccccc3)c2)C1 ZINC000296995034 334238411 /nfs/dbraw/zinc/23/84/11/334238411.db2.gz JZAICDUNDPDYQH-KXBFYZLASA-N 0 0 319.408 4.557 20 30 DJEDRN CC(C)(C#N)c1ccccc1CNc1ccc([C@H]2CCOC2)cc1 ZINC000297897843 334244865 /nfs/dbraw/zinc/24/48/65/334244865.db2.gz VXUYOXGXOIMWNV-SFHVURJKSA-N 0 0 320.436 4.604 20 30 DJEDRN CCN(CC#N)[C@H](C)c1ncc(-c2ccc(Cl)cc2Cl)o1 ZINC000298035995 334245747 /nfs/dbraw/zinc/24/57/47/334245747.db2.gz GERKKATXZGJZJS-SNVBAGLBSA-N 0 0 324.211 4.555 20 30 DJEDRN CC[C@H](c1ccccc1)N(CC)C(=O)Nc1ccc(CC#N)cc1 ZINC000299450945 334255434 /nfs/dbraw/zinc/25/54/34/334255434.db2.gz WMKRNVSHKYFKTP-LJQANCHMSA-N 0 0 321.424 4.758 20 30 DJEDRN Cc1ccc(C(=O)Nc2cc(C(C)(C)C)sc2C#N)cc1F ZINC000534519801 334278730 /nfs/dbraw/zinc/27/87/30/334278730.db2.gz FHOIZFDTLGIMFX-UHFFFAOYSA-N 0 0 316.401 4.617 20 30 DJEDRN C=CCS[C@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000531902915 334280682 /nfs/dbraw/zinc/28/06/82/334280682.db2.gz OCDQKRWGUMVREW-SECBINFHSA-N 0 0 314.332 4.736 20 30 DJEDRN C=CCS[C@@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000531902916 334280687 /nfs/dbraw/zinc/28/06/87/334280687.db2.gz OCDQKRWGUMVREW-VIFPVBQESA-N 0 0 314.332 4.736 20 30 DJEDRN N#CCC[C@@H](Nc1cc(C#N)nc2ccccc21)c1ccccc1 ZINC000164305517 334283129 /nfs/dbraw/zinc/28/31/29/334283129.db2.gz BURKHFJBGNAKNC-GOSISDBHSA-N 0 0 312.376 4.563 20 30 DJEDRN N#CC1(NC(=O)c2cc(-c3ccccc3)ccc2Cl)CCCC1 ZINC000110717387 334289464 /nfs/dbraw/zinc/28/94/64/334289464.db2.gz DZLJKSOMODJWBM-UHFFFAOYSA-N 0 0 324.811 4.573 20 30 DJEDRN N#CCc1ccc(C(=O)N2CCCCC[C@@H]2c2ccccc2)cc1 ZINC000534642255 334305836 /nfs/dbraw/zinc/30/58/36/334305836.db2.gz ABHKGTGAUJDMDI-HXUWFJFHSA-N 0 0 318.420 4.510 20 30 DJEDRN N#CCc1ccc(C(=O)N2CCCCC[C@H]2c2ccccc2)cc1 ZINC000534642254 334306026 /nfs/dbraw/zinc/30/60/26/334306026.db2.gz ABHKGTGAUJDMDI-FQEVSTJZSA-N 0 0 318.420 4.510 20 30 DJEDRN CC(C)(C)CN(CCC#N)Cc1csc(-c2ccsc2)n1 ZINC000111250419 334313508 /nfs/dbraw/zinc/31/35/08/334313508.db2.gz IOEJKPGATGJQOZ-UHFFFAOYSA-N 0 0 319.499 4.633 20 30 DJEDRN N#Cc1ccc(N2CCC[C@@H]2c2cccs2)cc1C(F)(F)F ZINC000111221391 334316511 /nfs/dbraw/zinc/31/65/11/334316511.db2.gz QTGWAHBGWKADQO-CQSZACIVSA-N 0 0 322.355 4.980 20 30 DJEDRN C=C[C@H](CC(=O)N1CC[C@H](c2ccccc2C)C1)c1ccccc1 ZINC000534694005 334327507 /nfs/dbraw/zinc/32/75/07/334327507.db2.gz APERCNKHRVFMOH-QUCCMNQESA-N 0 0 319.448 4.671 20 30 DJEDRN 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C=CCc1cccc(C(C)C)c1NC(=O)N1C[C@@H](C)C[C@H]1C ZINC000475562022 339455498 /nfs/dbraw/zinc/45/54/98/339455498.db2.gz DHRDBLBZMADLBI-LSDHHAIUSA-N 0 0 300.446 4.801 20 30 DJEDRN C=CCN(CC1CCCCC1)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000475905988 339464613 /nfs/dbraw/zinc/46/46/13/339464613.db2.gz OBSXLWZATZVXBB-FQEVSTJZSA-N 0 0 324.468 4.669 20 30 DJEDRN CC(C)(C#N)CCCSc1cc2c(cc1Cl)OCCO2 ZINC000475930474 339465228 /nfs/dbraw/zinc/46/52/28/339465228.db2.gz PQVNRHVGPIWIBC-UHFFFAOYSA-N 0 0 311.834 4.533 20 30 DJEDRN C=C(C)C[C@@H](C)C(=O)N(CC(C)C)[C@H]1CCCc2cccnc21 ZINC000475941553 339465543 /nfs/dbraw/zinc/46/55/43/339465543.db2.gz QCOSYBIPUGUDCF-AEFFLSMTSA-N 0 0 314.473 4.546 20 30 DJEDRN Cn1c2ccc(Cl)cc2nc1SCCCC(C)(C)C#N ZINC000475963297 339466289 /nfs/dbraw/zinc/46/62/89/339466289.db2.gz CUHDYRPASFFONN-UHFFFAOYSA-N 0 0 307.850 4.649 20 30 DJEDRN C=CCC[C@H](C(=O)N[C@H]1CCC[C@@H]1SCC)c1ccccc1 ZINC000475964917 339466384 /nfs/dbraw/zinc/46/63/84/339466384.db2.gz LOOURLPLVHNNLZ-BZSNNMDCSA-N 0 0 317.498 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C[C@@H](C#N)CSc1ccccc1NC(=O)C[C@@H]1C=CCCC1 ZINC000187771178 333237628 /nfs/dbraw/zinc/23/76/28/333237628.db2.gz XYKKFFHJEMJCBA-LSDHHAIUSA-N 0 0 314.454 4.623 20 30 DJEDRN C=C(C)CN(C)C(=O)N[C@H](CCc1ccccc1)c1ccccc1 ZINC000497400395 333246281 /nfs/dbraw/zinc/24/62/81/333246281.db2.gz JOIVVNPNKVEOLX-HXUWFJFHSA-N 0 0 322.452 4.578 20 30 DJEDRN CCN(Cc1c(F)cccc1Cl)[C@H](C)c1ccc(C#N)cc1 ZINC000497593982 333267380 /nfs/dbraw/zinc/26/73/80/333267380.db2.gz NLJBMDSOJSVGKS-CYBMUJFWSA-N 0 0 316.807 4.934 20 30 DJEDRN N#CCCCOc1cccc(NC2CC(c3cccc(F)c3)C2)c1 ZINC000391881269 335130605 /nfs/dbraw/zinc/13/06/05/335130605.db2.gz XKYAZURFVLXNKF-UHFFFAOYSA-N 0 0 324.399 4.866 20 30 DJEDRN CCN(Cc1ccc(F)cc1Cl)[C@@H](C)c1ccc(C#N)cc1 ZINC000497620836 333270765 /nfs/dbraw/zinc/27/07/65/333270765.db2.gz PWDGFLHLDDGINZ-ZDUSSCGKSA-N 0 0 316.807 4.934 20 30 DJEDRN C=CCn1c(S[C@H](C)c2ccc(Cl)cc2)nnc1C1CC1 ZINC000497671437 333276419 /nfs/dbraw/zinc/27/64/19/333276419.db2.gz NOISJCIMFXAFRG-LLVKDONJSA-N 0 0 319.861 4.848 20 30 DJEDRN C=CCN(Cc1ccccc1)C(=O)c1oc2ccccc2c1C ZINC000497796679 333292291 /nfs/dbraw/zinc/29/22/91/333292291.db2.gz FUICEUABWQMYDG-UHFFFAOYSA-N 0 0 305.377 4.570 20 30 DJEDRN C=CCN(Cc1ccccc1)C(=O)CCc1cc2ccccc2o1 ZINC000497817834 333296257 /nfs/dbraw/zinc/29/62/57/333296257.db2.gz NQVXFPDXVXZSKP-UHFFFAOYSA-N 0 0 319.404 4.580 20 30 DJEDRN N#Cc1ccsc1C(=O)N(c1ccccc1)C1CCCCC1 ZINC000497992655 333317983 /nfs/dbraw/zinc/31/79/83/333317983.db2.gz CLTBTQWCUCFEAN-UHFFFAOYSA-N 0 0 310.422 4.599 20 30 DJEDRN C[C@H](Cc1ccc(F)cc1)Nc1cccc(OCCCC#N)c1 ZINC000323460261 333325442 /nfs/dbraw/zinc/32/54/42/333325442.db2.gz VVLFUZUMHWBRSZ-OAHLLOKOSA-N 0 0 312.388 4.551 20 30 DJEDRN N#Cc1csc(C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)c1 ZINC000531356133 333345905 /nfs/dbraw/zinc/34/59/05/333345905.db2.gz KLIUBDKTOSBRKC-LJQANCHMSA-N 0 0 322.408 4.638 20 30 DJEDRN Cc1cnc([C@@H](C)Sc2ccc(C#N)c(C(F)(F)F)c2)cn1 ZINC000488270729 333369297 /nfs/dbraw/zinc/36/92/97/333369297.db2.gz IYONNEXALHTAJQ-SNVBAGLBSA-N 0 0 323.343 4.529 20 30 DJEDRN C=CCn1c(C)nnc1S[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000522769915 333388111 /nfs/dbraw/zinc/38/81/11/333388111.db2.gz RYUDZQDUKKUPBN-ZDUSSCGKSA-N 0 0 315.486 4.923 20 30 DJEDRN CC(C)(C)[C@H]1C[C@H](Nc2cccc(C(F)F)c2C#N)CCO1 ZINC000565372899 333454375 /nfs/dbraw/zinc/45/43/75/333454375.db2.gz RUAGSPSDTQYVHK-IAQYHMDHSA-N 0 0 308.372 4.501 20 30 DJEDRN C=CCc1cccc(C(C)C)c1NC(=O)N[C@H]1CSC1(C)C ZINC000338469532 333488382 /nfs/dbraw/zinc/48/83/82/333488382.db2.gz QBMLBTBHUINNTC-HNNXBMFYSA-N 0 0 318.486 4.554 20 30 DJEDRN CC(C)c1nccn1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000534069252 333560419 /nfs/dbraw/zinc/56/04/19/333560419.db2.gz DNCXDPGLKHVWOC-UHFFFAOYSA-N 0 0 301.393 4.593 20 30 DJEDRN C=C(C)[C@@H](CC(=O)N1CCCCC[C@@H]1c1ccccc1)OCC ZINC000534425784 333586824 /nfs/dbraw/zinc/58/68/24/333586824.db2.gz QMDPWYOXBPGPBE-RTBURBONSA-N 0 0 315.457 4.502 20 30 DJEDRN C=CCC1(C(=O)Nc2cc3c(cc2Cl)CCC3=O)CCCC1 ZINC000410768777 333590632 /nfs/dbraw/zinc/59/06/32/333590632.db2.gz 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CC(C)(C#N)CCCC[S@@](=O)Cc1ccc(C(F)F)cc1 ZINC000278040861 334092610 /nfs/dbraw/zinc/09/26/10/334092610.db2.gz XNGFBFJUYNSCND-OAQYLSRUSA-N 0 0 313.413 4.593 20 30 DJEDRN CC(C)(C#N)CCC[S@](=O)Cc1cccc(Cl)c1Cl ZINC000278089384 334092782 /nfs/dbraw/zinc/09/27/82/334092782.db2.gz OUOACSPLYUYFKY-IBGZPJMESA-N 0 0 318.269 4.572 20 30 DJEDRN CC(C)(C#N)CC(=O)Nc1cc(Cl)ccc1OC1CCCC1 ZINC000278263420 334094226 /nfs/dbraw/zinc/09/42/26/334094226.db2.gz ADIIAWXQHHIZLO-UHFFFAOYSA-N 0 0 320.820 4.540 20 30 DJEDRN CCc1cccc(C)c1NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000279865174 334112464 /nfs/dbraw/zinc/11/24/64/334112464.db2.gz JDVRQOPFBQPKNJ-UHFFFAOYSA-N 0 0 306.409 4.611 20 30 DJEDRN CC[C@@H](C)N(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@H](C)CC ZINC000280223651 334115533 /nfs/dbraw/zinc/11/55/33/334115533.db2.gz BKDCTAHKKJENPN-HUUCEWRRSA-N 0 0 300.446 4.527 20 30 DJEDRN N#CCCCOc1cccc(N[C@@H](c2cccnc2)C2CCC2)c1 ZINC000280750416 334120145 /nfs/dbraw/zinc/12/01/45/334120145.db2.gz DSGGCZANTYATHD-HXUWFJFHSA-N 0 0 321.424 4.717 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ZINC000534676482 334323446 /nfs/dbraw/zinc/32/34/46/334323446.db2.gz JGYYVFFDYXIMNN-INIZCTEOSA-N 0 0 319.404 4.717 20 30 DJEDRN C=C[C@H](CC(=O)N1CC[C@@H](c2ccccc2C)C1)c1ccccc1 ZINC000534694006 334327406 /nfs/dbraw/zinc/32/74/06/334327406.db2.gz APERCNKHRVFMOH-UYAOXDASSA-N 0 0 319.448 4.671 20 30 DJEDRN C=C[C@H](CC(=O)Nc1cccc(C(=O)CC)c1)c1ccccc1 ZINC000534715033 334331916 /nfs/dbraw/zinc/33/19/16/334331916.db2.gz ASNPNFGKYCMGSL-OAHLLOKOSA-N 0 0 307.393 4.578 20 30 DJEDRN C=C[C@@H](CC(=O)N(CC)c1ccc(F)c(F)c1)c1ccccc1 ZINC000534757514 334336954 /nfs/dbraw/zinc/33/69/54/334336954.db2.gz GSLXTVCUNSOVMZ-AWEZNQCLSA-N 0 0 315.363 4.678 20 30 DJEDRN C[C@H](Cc1ccccc1)C(=O)Nc1ccccc1SCCC#N ZINC000112014683 334361591 /nfs/dbraw/zinc/36/15/91/334361591.db2.gz SJQORWMBHRILKE-OAHLLOKOSA-N 0 0 324.449 4.510 20 30 DJEDRN Cc1ccccc1-c1cnc(CSc2ccccc2C#N)o1 ZINC000535259469 334383192 /nfs/dbraw/zinc/38/31/92/334383192.db2.gz DMRAGWBNTYFRCO-UHFFFAOYSA-N 0 0 306.390 4.814 20 30 DJEDRN Cc1ccc(Oc2ccc(C(F)(F)F)c(C#N)n2)c(Cl)c1 ZINC000443519147 338453464 /nfs/dbraw/zinc/45/34/64/338453464.db2.gz NRDRJTHUYRIZCS-UHFFFAOYSA-N 0 0 312.678 4.726 20 30 DJEDRN C[C@H]1CCC[C@H](NC(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000443549154 338454105 /nfs/dbraw/zinc/45/41/05/338454105.db2.gz FRZLXKPMYCTNNI-HOCLYGCPSA-N 0 0 313.445 4.578 20 30 DJEDRN C[C@@H]1C[C@@H]1N(C(=O)C[C@@H](CC#N)c1ccccc1)c1ccccc1 ZINC000415902695 334626627 /nfs/dbraw/zinc/62/66/27/334626627.db2.gz YZSCTFIFSPVDHF-POAQFYNOSA-N 0 0 318.420 4.516 20 30 DJEDRN C=CCC[C@@H](NC(=O)c1ccn(C)c1C1CCC1)c1ccccc1 ZINC000343211181 334670016 /nfs/dbraw/zinc/67/00/16/334670016.db2.gz HSPRFAXHOSEQSM-LJQANCHMSA-N 0 0 322.452 4.730 20 30 DJEDRN Cc1cccc([C@H](C)[S@](=O)CCC2(C#N)CCCCC2)c1 ZINC000417142418 334695246 /nfs/dbraw/zinc/69/52/46/334695246.db2.gz FFVZISLGHBBEIW-HRAATJIYSA-N 0 0 303.471 4.669 20 30 DJEDRN CC(C)[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000443818712 338461057 /nfs/dbraw/zinc/46/10/57/338461057.db2.gz 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CNC(=O)C1CCC(NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)CC1 ZINC000328990038 334771550 /nfs/dbraw/zinc/77/15/50/334771550.db2.gz IAMXCOLBTKXHGV-BFHKSVSOSA-N 0 0 320.477 4.695 20 30 DJEDRN Cc1noc(C(C)C)c1C(=O)Nc1ccc(C(C)(C)C)cc1O ZINC000330418876 334780444 /nfs/dbraw/zinc/78/04/44/334780444.db2.gz YLTYROIFXRCQEZ-UHFFFAOYSA-N 0 0 316.401 4.746 20 30 DJEDRN C=C[C@@](C)(CC)C(=O)Nc1ccc(CNc2ccccc2)cc1 ZINC000443800917 338460727 /nfs/dbraw/zinc/46/07/27/338460727.db2.gz MSHBKAQLWYSZKQ-FQEVSTJZSA-N 0 0 308.425 4.840 20 30 DJEDRN Cc1nc(C(=O)N[C@@H](c2ccc(F)cc2F)C(C)(C)C)c(C)o1 ZINC000330514280 334786065 /nfs/dbraw/zinc/78/60/65/334786065.db2.gz HACILYSYTDVHGQ-HNNXBMFYSA-N 0 0 322.355 4.662 20 30 DJEDRN Cc1oc(C(C)C)cc1C(=O)N[C@@H](c1cnn(C)c1)C(C)(C)C ZINC000330616447 334797249 /nfs/dbraw/zinc/79/72/49/334797249.db2.gz VIIRRHLSLLKPEU-INIZCTEOSA-N 0 0 317.433 4.537 20 30 DJEDRN COc1cc(C(=O)NC(C)(C)CC(C)(C)C)cc(Cl)c1O ZINC000330697321 334800503 /nfs/dbraw/zinc/80/05/03/334800503.db2.gz 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ZINC000236706888 340664026 /nfs/dbraw/zinc/66/40/26/340664026.db2.gz PIJSFPXADOYHCC-VKAVYKQESA-N 0 0 306.409 4.885 20 30 DJEDRN CC[C@@H](Cc1ccccc1)Nc1cccc(OCCCC#N)c1 ZINC000237035128 340667556 /nfs/dbraw/zinc/66/75/56/340667556.db2.gz SUQOPVMVADEANW-SFHVURJKSA-N 0 0 308.425 4.802 20 30 DJEDRN COc1ccc2cc(CNc3ccc(CC#N)cc3)ccc2c1 ZINC000237288288 340669752 /nfs/dbraw/zinc/66/97/52/340669752.db2.gz ZQEQGXXJKLJNAE-UHFFFAOYSA-N 0 0 302.377 4.527 20 30 DJEDRN Cc1cc(C)c(CNc2cccc(OCCCC#N)c2)c(C)c1 ZINC000237820426 340674283 /nfs/dbraw/zinc/67/42/83/340674283.db2.gz XRPSUXOWFUJLOF-UHFFFAOYSA-N 0 0 308.425 4.907 20 30 DJEDRN Cc1ccc(C[C@@H](C)Nc2c(C#N)cnc3ccccc32)s1 ZINC000316236332 340679181 /nfs/dbraw/zinc/67/91/81/340679181.db2.gz QSWVMZYASKMETD-GFCCVEGCSA-N 0 0 307.422 4.520 20 30 DJEDRN C=CCCNc1ccccc1C(=O)Nc1cccc(Cl)c1 ZINC000524849547 340682516 /nfs/dbraw/zinc/68/25/16/340682516.db2.gz MSTDOMCRJPBMRK-UHFFFAOYSA-N 0 0 300.789 4.580 20 30 DJEDRN C[C@H](Nc1ccc(CC#N)cc1)c1ccc(Br)cc1 ZINC000037071313 340744685 /nfs/dbraw/zinc/74/46/85/340744685.db2.gz HLKZLEDCNPWCNV-LBPRGKRZSA-N 0 0 315.214 4.688 20 30 DJEDRN C=CCc1cccc(C(C)C)c1NC(=O)[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000529134171 340745722 /nfs/dbraw/zinc/74/57/22/340745722.db2.gz CEOJXGNBCCRHNQ-XSWJXKHESA-N 0 0 315.457 4.537 20 30 DJEDRN N#Cc1c(F)cccc1N[C@H]1CCSc2ccc(Cl)cc21 ZINC000037268924 340782428 /nfs/dbraw/zinc/78/24/28/340782428.db2.gz BPZFCBODNZLQEX-HNNXBMFYSA-N 0 0 318.804 5.000 20 30 DJEDRN N#Cc1ccc(F)c(CSc2ccccc2Br)c1 ZINC000037375164 340785221 /nfs/dbraw/zinc/78/52/21/340785221.db2.gz OYIZPGPCQZZQGU-UHFFFAOYSA-N 0 0 322.202 4.752 20 30 DJEDRN C[C@H](CC#N)Sc1ccccc1NCc1ccccc1F ZINC000066861094 340851682 /nfs/dbraw/zinc/85/16/82/340851682.db2.gz MHXDWECBBRXKHP-CYBMUJFWSA-N 0 0 300.402 4.832 20 30 DJEDRN N#Cc1ccc2nc(N3CCC[C@@H]3c3ccc(F)cc3)ccc2c1 ZINC000538979181 340864139 /nfs/dbraw/zinc/86/41/39/340864139.db2.gz MBVQTESIVRCCBB-LJQANCHMSA-N 0 0 317.367 4.587 20 30 DJEDRN CCC[C@@H](C(=O)N(CC)c1ccc(C#N)c(Cl)c1)C(C)C ZINC000539173304 340875447 /nfs/dbraw/zinc/87/54/47/340875447.db2.gz PPEOUKYXXDCYRZ-OAHLLOKOSA-N 0 0 306.837 4.637 20 30 DJEDRN C[C@@H](NCc1ccccc1C#N)c1cc(F)c(Cl)cc1Cl ZINC000539242626 340878092 /nfs/dbraw/zinc/87/80/92/340878092.db2.gz BZAKZQHFHBDPTA-SNVBAGLBSA-N 0 0 323.198 4.855 20 30 DJEDRN N#Cc1cccc(CNc2ccccc2CCC(F)(F)F)c1F ZINC000539309876 340880509 /nfs/dbraw/zinc/88/05/09/340880509.db2.gz WLKNRVWJFAWRGT-UHFFFAOYSA-N 0 0 322.305 4.804 20 30 DJEDRN CC[C@H](C)n1ncc(N[C@@H](C)c2cccc(C#N)c2)c1C1CC1 ZINC000539681526 340895792 /nfs/dbraw/zinc/89/57/92/340895792.db2.gz OAJRHGLEADIENJ-KBPBESRZSA-N 0 0 308.429 4.776 20 30 DJEDRN C[C@@H](Sc1cccc(Cl)c1C#N)C(=O)c1ccccc1 ZINC000540044887 340912825 /nfs/dbraw/zinc/91/28/25/340912825.db2.gz RECDBZUTIKOJJB-LLVKDONJSA-N 0 0 301.798 4.575 20 30 DJEDRN C=C(C)COc1cccc(NC(=O)c2csc(C)c2C)c1 ZINC000540220416 340924189 /nfs/dbraw/zinc/92/41/89/340924189.db2.gz MKQUODSZSBWJBN-UHFFFAOYSA-N 0 0 301.411 4.572 20 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ZINC000428021653 332592831 /nfs/dbraw/zinc/59/28/31/332592831.db2.gz OIXUSELGTOLWDZ-GFCCVEGCSA-N 0 0 302.443 4.526 20 30 DJEDRN CCc1cccc(C)c1NC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000159616898 332623766 /nfs/dbraw/zinc/62/37/66/332623766.db2.gz MUYNIMIKOBWAQX-SFHVURJKSA-N 0 0 321.424 4.724 20 30 DJEDRN Cc1nc(C)c([C@@H](C)Nc2cccc(OCCCC#N)c2)s1 ZINC000170972997 332639860 /nfs/dbraw/zinc/63/98/60/332639860.db2.gz CUNCIEFSTFCVOZ-CYBMUJFWSA-N 0 0 315.442 4.616 20 30 DJEDRN CCc1ccc(-c2noc(C[C@H](CC#N)c3ccccc3)n2)cc1 ZINC000584316437 332657267 /nfs/dbraw/zinc/65/72/67/332657267.db2.gz OAFCIVKQVMDTQG-SFHVURJKSA-N 0 0 317.392 4.539 20 30 DJEDRN C[C@H](NCc1cc(Cl)sc1Cl)c1ccc(C#N)cc1 ZINC000312630584 332665763 /nfs/dbraw/zinc/66/57/63/332665763.db2.gz TTZKNHAOSVQBMO-VIFPVBQESA-N 0 0 311.237 4.777 20 30 DJEDRN C=CCC(C)(C)C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C ZINC000569715632 332669284 /nfs/dbraw/zinc/66/92/84/332669284.db2.gz LXURUTFKZXAJKO-INIZCTEOSA-N 0 0 314.473 4.915 20 30 DJEDRN 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Cc1c2ccccc2oc1[C@@H](C)Nc1nc(C)cc(C)c1C#N ZINC000516672402 333143478 /nfs/dbraw/zinc/14/34/78/333143478.db2.gz UFIDXUDSODDLMD-CQSZACIVSA-N 0 0 305.381 4.798 20 30 DJEDRN Cc1c2ccccc2oc1[C@H](C)Nc1nc(C)cc(C)c1C#N ZINC000516672401 333143481 /nfs/dbraw/zinc/14/34/81/333143481.db2.gz UFIDXUDSODDLMD-AWEZNQCLSA-N 0 0 305.381 4.798 20 30 DJEDRN C[C@@H](Nc1cccc(OCCCC#N)c1)c1ccccc1N(C)C ZINC000179818982 333155563 /nfs/dbraw/zinc/15/55/63/333155563.db2.gz ANAPZSOERQFYSX-MRXNPFEDSA-N 0 0 323.440 4.608 20 30 DJEDRN C[C@@H](Nc1cccc(OCCCC#N)c1)c1ccc(Cl)nc1 ZINC000179822492 333155794 /nfs/dbraw/zinc/15/57/94/333155794.db2.gz HGBZPTARPMKCPN-CYBMUJFWSA-N 0 0 315.804 4.591 20 30 DJEDRN C[C@H](Nc1cccc(OCCCC#N)c1)c1cccnc1Cl ZINC000179821699 333155846 /nfs/dbraw/zinc/15/58/46/333155846.db2.gz IGNSJXSHBJYBTI-ZDUSSCGKSA-N 0 0 315.804 4.591 20 30 DJEDRN C=CCc1cccc(C(C)C)c1NC(=O)CC1(O)CCCCC1 ZINC000188071547 333158623 /nfs/dbraw/zinc/15/86/23/333158623.db2.gz YUVKODQHTDPVIG-UHFFFAOYSA-N 0 0 315.457 4.562 20 30 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CCCC(CCC)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000410958593 333612743 /nfs/dbraw/zinc/61/27/43/333612743.db2.gz WZUFQAGZAJBFHO-SFHVURJKSA-N 0 0 300.446 4.754 20 30 DJEDRN N#CCc1cc(Cl)ccc1NC(=O)c1cccc2c1CCCC2 ZINC000410974986 333614204 /nfs/dbraw/zinc/61/42/04/333614204.db2.gz YQCIILXELBMRAI-UHFFFAOYSA-N 0 0 324.811 4.537 20 30 DJEDRN N#CCc1cc(Cl)ccc1NC(=O)c1ccc(C2CCC2)cc1 ZINC000410962202 333614581 /nfs/dbraw/zinc/61/45/81/333614581.db2.gz CAJZPQWZVSMOJL-UHFFFAOYSA-N 0 0 324.811 4.926 20 30 DJEDRN C[C@@H](C(=O)Nc1sc(C(C)(C)C)cc1C#N)c1ccccc1 ZINC000411009872 333620693 /nfs/dbraw/zinc/62/06/93/333620693.db2.gz ZOSHKMLWSUJKGU-GFCCVEGCSA-N 0 0 312.438 4.659 20 30 DJEDRN N#Cc1csc(/C=C/c2nc3c(ccc4ccccc34)s2)n1 ZINC000571339175 333761756 /nfs/dbraw/zinc/76/17/56/333761756.db2.gz VUPJACWDJBXNGY-BQYQJAHWSA-N 0 0 319.414 4.948 20 30 DJEDRN C=C(C)CCNc1cccc(COCc2ccc(OC)cc2)c1 ZINC000571599210 333819327 /nfs/dbraw/zinc/81/93/27/333819327.db2.gz BPQKHGJZWPDJQT-UHFFFAOYSA-N 0 0 311.425 4.790 20 30 DJEDRN N#CC1(CCSc2nnc(-c3ccccc3)o2)CCCCC1 ZINC000412977346 333827933 /nfs/dbraw/zinc/82/79/33/333827933.db2.gz KJPKXGWJZOACDI-UHFFFAOYSA-N 0 0 313.426 4.693 20 30 DJEDRN CSc1cc(C)ccc1NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000413904279 333880755 /nfs/dbraw/zinc/88/07/55/333880755.db2.gz NYMNUGHQOBZPJJ-UHFFFAOYSA-N 0 0 324.449 4.770 20 30 DJEDRN CCCCCCCCC(=O)Nc1cccc(C[S@](C)=O)c1C ZINC000265274824 333964621 /nfs/dbraw/zinc/96/46/21/333964621.db2.gz PIMZBDDNNYHAGA-QFIPXVFZSA-N 0 0 323.502 4.563 20 30 DJEDRN Cc1cc(N[C@H](C)c2ccc(Cl)cc2Cl)nn1CCC#N ZINC000271045637 334017666 /nfs/dbraw/zinc/01/76/66/334017666.db2.gz TZGHJLLLQBFMAK-LLVKDONJSA-N 0 0 323.227 4.585 20 30 DJEDRN CSc1cccc(NC(=O)N(CCC#N)CCC(C)C)c1C ZINC000271708788 334025799 /nfs/dbraw/zinc/02/57/99/334025799.db2.gz NYOSPFIUDBLFCM-UHFFFAOYSA-N 0 0 319.474 4.511 20 30 DJEDRN COc1ccc2ccccc2c1-c1cc(CON=C2CCC2)on1 ZINC000272096423 334030521 /nfs/dbraw/zinc/03/05/21/334030521.db2.gz FVDRBESNNFRRMB-UHFFFAOYSA-N 0 0 322.364 4.560 20 30 DJEDRN N#CCCCCSCc1ccc(F)cc1Br ZINC000161185494 334071219 /nfs/dbraw/zinc/07/12/19/334071219.db2.gz QDBJWGIIDXBCDJ-UHFFFAOYSA-N 0 0 302.212 4.515 20 30 DJEDRN Cc1ccccc1-c1noc([C@@H](C)SCCC(C)(C)C#N)n1 ZINC000276574960 334082269 /nfs/dbraw/zinc/08/22/69/334082269.db2.gz FTIWQDCANPQEGC-CYBMUJFWSA-N 0 0 315.442 4.779 20 30 DJEDRN Cc1nc(C(F)(F)F)c(CSCCC(C)(C)C#N)s1 ZINC000276619531 334083934 /nfs/dbraw/zinc/08/39/34/334083934.db2.gz NNGQITXRUNUDEP-UHFFFAOYSA-N 0 0 308.394 4.643 20 30 DJEDRN CO[C@H](C)c1cccc(NCc2ccc(Cl)cc2C#N)c1 ZINC000184434025 334085051 /nfs/dbraw/zinc/08/50/51/334085051.db2.gz MMGOYCUZWIZCCH-GFCCVEGCSA-N 0 0 300.789 4.531 20 30 DJEDRN CCCCCCC[C@@H](CC(=O)[O-])[NH2+]Cc1cc2ccccc2o1 ZINC000277392666 334087992 /nfs/dbraw/zinc/08/79/92/334087992.db2.gz RLAWBLFWGNBZRH-INIZCTEOSA-N 0 0 317.429 4.726 20 30 DJEDRN CCCCCCC[C@H](CC(=O)[O-])[NH2+]Cc1cccc(Cl)c1 ZINC000277482327 334088621 /nfs/dbraw/zinc/08/86/21/334088621.db2.gz WRFYJBFYVDIGNY-MRXNPFEDSA-N 0 0 311.853 4.633 20 30 DJEDRN Cc1ccc(-c2nnc(SCCCCC(C)(C)C#N)o2)cc1 ZINC000277727895 334090599 /nfs/dbraw/zinc/09/05/99/334090599.db2.gz OWZLOFHVWIHKAN-UHFFFAOYSA-N 0 0 315.442 4.857 20 30 DJEDRN Cc1ccnc(N[C@@H](C)c2nc(-c3ccccc3)cs2)c1C#N ZINC000343505379 335172217 /nfs/dbraw/zinc/17/22/17/335172217.db2.gz DSDYEGQMGGCRAJ-ZDUSSCGKSA-N 0 0 320.421 4.558 20 30 DJEDRN CC(C)(C#N)CCCC[S@](=O)[C@@H]1CCc2c1cccc2Cl ZINC000277942292 334092021 /nfs/dbraw/zinc/09/20/21/334092021.db2.gz QOBVJGACDBZPSJ-IERDGZPVSA-N 0 0 323.889 4.796 20 30 DJEDRN CO[C@H](C)c1nc(CSCCCCC(C)(C)C#N)cs1 ZINC000278025248 334092401 /nfs/dbraw/zinc/09/24/01/334092401.db2.gz WJNUTENCRKZBCG-GFCCVEGCSA-N 0 0 312.504 4.804 20 30 DJEDRN CO[C@@H](C)c1nc(CSCCCCC(C)(C)C#N)cs1 ZINC000278025252 334092457 /nfs/dbraw/zinc/09/24/57/334092457.db2.gz WJNUTENCRKZBCG-LBPRGKRZSA-N 0 0 312.504 4.804 20 30 DJEDRN CC(C)(C#N)CCCC[S@](=O)Cc1ccc(C(F)F)cc1 ZINC000278040850 334092674 /nfs/dbraw/zinc/09/26/74/334092674.db2.gz XNGFBFJUYNSCND-NRFANRHFSA-N 0 0 313.413 4.593 20 30 DJEDRN CC(C)(C)c1ccc(C[S@@](=O)CCCCC(C)(C)C#N)cc1 ZINC000278037948 334092700 /nfs/dbraw/zinc/09/27/00/334092700.db2.gz XFOLBXNOHXRXEF-QFIPXVFZSA-N 0 0 319.514 4.953 20 30 DJEDRN CC[C@@H](C)Sc1ccc(NC(=O)CC(C)(C)C#N)c(C)c1 ZINC000278191109 334093603 /nfs/dbraw/zinc/09/36/03/334093603.db2.gz DNOSCKHIYLRGGL-CYBMUJFWSA-N 0 0 304.459 4.764 20 30 DJEDRN CC(C)c1ccc(C[S@](=O)CCCCC(C)(C)C#N)cc1 ZINC000278292168 334094581 /nfs/dbraw/zinc/09/45/81/334094581.db2.gz PZQPTVHWOOVGPG-OAQYLSRUSA-N 0 0 305.487 4.779 20 30 DJEDRN N#CCCCOc1cccc(N[C@H](c2cccnc2)C2CCC2)c1 ZINC000280750412 334120118 /nfs/dbraw/zinc/12/01/18/334120118.db2.gz DSGGCZANTYATHD-FQEVSTJZSA-N 0 0 321.424 4.717 20 30 DJEDRN Cc1cccc(C(C)C)c1NCCCC1(C#N)CCOCC1 ZINC000280931782 334121338 /nfs/dbraw/zinc/12/13/38/334121338.db2.gz DYDBECSMZSHHJQ-UHFFFAOYSA-N 0 0 300.446 4.631 20 30 DJEDRN Cc1ccc(C)c(CSCCCC2(C#N)CCOCC2)c1 ZINC000280928487 334121346 /nfs/dbraw/zinc/12/13/46/334121346.db2.gz HBSBFVQCIBXAMN-UHFFFAOYSA-N 0 0 303.471 4.637 20 30 DJEDRN CC[C@H](SCCCC1(C#N)CCOCC1)c1ccccc1 ZINC000281083347 334122840 /nfs/dbraw/zinc/12/28/40/334122840.db2.gz WRQLMDGROABPNQ-KRWDZBQOSA-N 0 0 303.471 4.971 20 30 DJEDRN N#CC1(CCCSCc2cccc(Cl)c2)CCOCC1 ZINC000281094106 334123021 /nfs/dbraw/zinc/12/30/21/334123021.db2.gz XRFICUAVTHULBV-UHFFFAOYSA-N 0 0 309.862 4.674 20 30 DJEDRN C[C@@H](CC#N)Sc1ccccc1NC(=O)c1sccc1F ZINC000340109050 334128316 /nfs/dbraw/zinc/12/83/16/334128316.db2.gz RZTXWKKRUXDOJE-JTQLQIEISA-N 0 0 320.414 4.534 20 30 DJEDRN N#CCCCOc1cccc(NC2CCC(C(F)F)CC2)c1 ZINC000282506058 334135252 /nfs/dbraw/zinc/13/52/52/334135252.db2.gz YLOLBTYPVZIVAM-UHFFFAOYSA-N 0 0 308.372 4.605 20 30 DJEDRN Cc1coc(C)c1C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000284078835 334142442 /nfs/dbraw/zinc/14/24/42/334142442.db2.gz SGWRIVBDKMTIMO-GFCCVEGCSA-N 0 0 314.410 4.543 20 30 DJEDRN N#CC1CCN(c2cc(C(F)F)nc3ccc(Cl)cc32)CC1 ZINC000288026707 334159066 /nfs/dbraw/zinc/15/90/66/334159066.db2.gz CKPATDBAYKVHRC-UHFFFAOYSA-N 0 0 321.758 4.566 20 30 DJEDRN CC[C@H](C)Sc1ccc(NC(=O)[C@@](C)(C#N)CC)c(C)c1 ZINC000288671598 334161736 /nfs/dbraw/zinc/16/17/36/334161736.db2.gz SSTWLMAJNUIQRC-SUMWQHHRSA-N 0 0 304.459 4.764 20 30 DJEDRN Cc1c(NCCC(C)(C)C#N)cccc1NC(=O)c1ccccc1 ZINC000288763142 334162213 /nfs/dbraw/zinc/16/22/13/334162213.db2.gz SQWCOCPRSRHQFB-UHFFFAOYSA-N 0 0 321.424 4.599 20 30 DJEDRN Cc1cc(Cl)c(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1C ZINC000295819718 334227785 /nfs/dbraw/zinc/22/77/85/334227785.db2.gz FYWKIUFDVZLFNQ-UHFFFAOYSA-N 0 0 324.811 4.764 20 30 DJEDRN C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cc(Cl)sc1Cl ZINC000296464336 334234344 /nfs/dbraw/zinc/23/43/44/334234344.db2.gz NKXSUVLAQXZXPR-GUBZILKMSA-N 0 0 303.258 4.788 20 30 DJEDRN C=C[C@@H](CC(=O)N(Cc1cccc(F)c1)C1CC1)c1ccccc1 ZINC000534606281 334297707 /nfs/dbraw/zinc/29/77/07/334297707.db2.gz MPRQDUGGMMMEEY-KRWDZBQOSA-N 0 0 323.411 4.677 20 30 DJEDRN N#Cc1ccc(SCc2csc(Cc3ccccc3)n2)cc1 ZINC000110971490 334299486 /nfs/dbraw/zinc/29/94/86/334299486.db2.gz DDYNWKMQGNOGJP-UHFFFAOYSA-N 0 0 322.458 4.898 20 30 DJEDRN C=C[C@H](CC(=O)N[C@@H](C)c1cc(C)sc1C)c1ccccc1 ZINC000534632138 334307798 /nfs/dbraw/zinc/30/77/98/334307798.db2.gz OAGSKNOMJOOTJE-GOEBONIOSA-N 0 0 313.466 4.902 20 30 DJEDRN C=CC[C@@H](C)NC(=O)N1CCC[C@@H]1c1ccc(C(C)C)cc1 ZINC000534635072 334309085 /nfs/dbraw/zinc/30/90/85/334309085.db2.gz GOLPHZRTXQCHTL-CRAIPNDOSA-N 0 0 300.446 4.621 20 30 DJEDRN C=CCN(C(=O)c1coc(C)c1)c1nc(-c2ccccc2)cs1 ZINC000187868988 334310735 /nfs/dbraw/zinc/31/07/35/334310735.db2.gz ICDAVFHSOBSAKM-UHFFFAOYSA-N 0 0 324.405 4.544 20 30 DJEDRN C#CCCCCC(=O)N1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000120218986 334317618 /nfs/dbraw/zinc/31/76/18/334317618.db2.gz ITIQAZKRYINOAM-NRFANRHFSA-N 0 0 317.432 4.506 20 30 DJEDRN C=C[C@H](CC(=O)Nc1nc2ccsc2s1)c1ccccc1 ZINC000534688667 334325280 /nfs/dbraw/zinc/32/52/80/334325280.db2.gz SPQKGXPGGPIYPI-LLVKDONJSA-N 0 0 314.435 4.656 20 30 DJEDRN C=C[C@H](CC(=O)Nc1cc(F)ccc1Cl)c1ccccc1 ZINC000534738758 334331041 /nfs/dbraw/zinc/33/10/41/334331041.db2.gz OWDYUDIMVYMOGV-GFCCVEGCSA-N 0 0 303.764 4.778 20 30 DJEDRN Cc1ccccc1[C@H](NC(=O)c1ccc(CC#N)cc1)C(C)(C)C ZINC000534725152 334332288 /nfs/dbraw/zinc/33/22/88/334332288.db2.gz JBNBNRMPNJJSQZ-IBGZPJMESA-N 0 0 320.436 4.578 20 30 DJEDRN C=CCN(CC1CCCCC1)C(=O)[C@@H](C)c1cccc(F)c1 ZINC000303996650 334352983 /nfs/dbraw/zinc/35/29/83/334352983.db2.gz JRUHCWWXBXVUJU-HNNXBMFYSA-N 0 0 303.421 4.524 20 30 DJEDRN C=C(C)COc1cccc(NC(=O)[C@@H](C)c2cccc(F)c2)c1 ZINC000304110231 334356397 /nfs/dbraw/zinc/35/63/97/334356397.db2.gz YZXVKCPZSMRXAM-AWEZNQCLSA-N 0 0 313.372 4.523 20 30 DJEDRN C[C@H](SCc1ncc(C(C)(C)C)o1)c1cccc(C#N)c1 ZINC000443153284 338445564 /nfs/dbraw/zinc/44/55/64/338445564.db2.gz GIROJADBMDXANN-LBPRGKRZSA-N 0 0 300.427 4.838 20 30 DJEDRN CC[C@H](C)CCC(=O)N(Cc1ccco1)c1ccccc1C#N ZINC000341098216 334408674 /nfs/dbraw/zinc/40/86/74/334408674.db2.gz UKNIEYUNBRIZNI-HNNXBMFYSA-N 0 0 310.397 4.511 20 30 DJEDRN N#CCC[C@@H](NC(=O)c1cccc2ccsc21)c1ccccc1 ZINC000341524959 334454217 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O=C(Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)[C@H]1CC12CCCC2 ZINC000330000816 336104787 /nfs/dbraw/zinc/10/47/87/336104787.db2.gz XDNPYZXEWKCSPN-OAHLLOKOSA-N 0 0 322.412 4.517 20 30 DJEDRN Cc1cccc(C2(C(=O)N[C@@H]3CCCc4c[nH]nc43)CCCC2)c1 ZINC000330082980 336112099 /nfs/dbraw/zinc/11/20/99/336112099.db2.gz BDTHRNDAZLYAOQ-QGZVFWFLSA-N 0 0 323.440 4.564 20 30 DJEDRN C[C@@H]1CCC[C@H](NC(=O)C2CCC(NC(=O)C3CC3)CC2)CC1 ZINC000330086559 336112329 /nfs/dbraw/zinc/11/23/29/336112329.db2.gz MJCUDUBSHCNLHA-AKBUMOGYSA-N 0 0 320.477 4.837 20 30 DJEDRN CC[C@@H]1C[C@H](C(=O)Nc2onc(C3CCCCC3)c2C)CCO1 ZINC000330126407 336115961 /nfs/dbraw/zinc/11/59/61/336115961.db2.gz ISAYQYMGOJODAZ-HUUCEWRRSA-N 0 0 320.433 4.824 20 30 DJEDRN C[C@H]1C[C@@H](C(=O)Nc2nc3c(cccc3Cl)s2)CCC1=O ZINC000330138198 336117303 /nfs/dbraw/zinc/11/73/03/336117303.db2.gz OFZJHQOGWZMXHB-IUCAKERBSA-N 0 0 322.817 4.543 20 30 DJEDRN C[C@@H]1CCC[C@@](C#N)(NC(=O)CCc2ccc3ccccc3n2)C1 ZINC000330145499 336117955 /nfs/dbraw/zinc/11/79/55/336117955.db2.gz 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ZINC000352206610 336202750 /nfs/dbraw/zinc/20/27/50/336202750.db2.gz OMBPDGOVFHXNMJ-QGZVFWFLSA-N 0 0 324.449 4.573 20 30 DJEDRN CCC(CC)[C@H](C)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000352206404 336202780 /nfs/dbraw/zinc/20/27/80/336202780.db2.gz MTLWRTHXTXUTMU-MAUKXSAKSA-N 0 0 300.446 4.610 20 30 DJEDRN N#CCCC[C@H](NC(=O)c1coc2ccccc12)c1ccccc1 ZINC000352215176 336203604 /nfs/dbraw/zinc/20/36/04/336203604.db2.gz AWYAIBTWRBUQIH-SFHVURJKSA-N 0 0 318.376 4.598 20 30 DJEDRN C[C@H]1CC(C(=O)N[C@@H](CCCC#N)c2ccccc2)C[C@H](C)C1 ZINC000352226849 336204247 /nfs/dbraw/zinc/20/42/47/336204247.db2.gz WZNTWEOUEFZWHP-MDZRGWNJSA-N 0 0 312.457 4.610 20 30 DJEDRN C[C@H]1CC(C(=O)N[C@H](CCCC#N)c2ccccc2)C[C@H](C)C1 ZINC000352226843 336204276 /nfs/dbraw/zinc/20/42/76/336204276.db2.gz WZNTWEOUEFZWHP-GPMSIDNRSA-N 0 0 312.457 4.610 20 30 DJEDRN Cc1cc2ccccc2c(NC(=O)[C@@]2(C#N)CC23CCCC3)c1 ZINC000333870760 336211480 /nfs/dbraw/zinc/21/14/80/336211480.db2.gz PFLGOQAUNRKBFB-FQEVSTJZSA-N 0 0 304.393 4.561 20 30 DJEDRN 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DJEDRN N#Cc1cc(Cl)ccc1NCc1ccc(-c2cccnc2)cc1 ZINC000301462210 336308296 /nfs/dbraw/zinc/30/82/96/336308296.db2.gz VCGHLUAIAYVTCK-UHFFFAOYSA-N 0 0 319.795 4.886 20 30 DJEDRN C[C@@H](Nc1ccc(F)cc1C#N)c1ccc(-c2cccnc2)cc1 ZINC000301469355 336308851 /nfs/dbraw/zinc/30/88/51/336308851.db2.gz HWDBTIRISCSELB-CQSZACIVSA-N 0 0 317.367 4.932 20 30 DJEDRN C[C@H](c1cccc(Cl)c1)N(C)c1snc(Cl)c1C#N ZINC000301496898 336310317 /nfs/dbraw/zinc/31/03/17/336310317.db2.gz BMAYCUHCHHJNKQ-MRVPVSSYSA-N 0 0 312.225 4.519 20 30 DJEDRN N#Cc1c(Cl)nsc1N1CCC[C@H]1c1ccccc1Cl ZINC000301533986 336312947 /nfs/dbraw/zinc/31/29/47/336312947.db2.gz MAZMVRZTKWRQEQ-LBPRGKRZSA-N 0 0 324.236 4.663 20 30 DJEDRN Cc1cc(N[C@@H](C)c2ccc(C#N)cc2)c2cccc(F)c2n1 ZINC000301670326 336322338 /nfs/dbraw/zinc/32/23/38/336322338.db2.gz NQRKSCCCBYGXOO-ZDUSSCGKSA-N 0 0 305.356 4.727 20 30 DJEDRN Cc1ccc(C)c([C@H]2CCCN2c2snc(Cl)c2C#N)c1 ZINC000301676227 336322704 /nfs/dbraw/zinc/32/27/04/336322704.db2.gz QKXRDRADQAEWCW-CQSZACIVSA-N 0 0 317.845 4.627 20 30 DJEDRN N#CCC[C@@H](Nc1ncnc2cc(Cl)ccc21)c1ccccc1 ZINC000301780657 336329437 /nfs/dbraw/zinc/32/94/37/336329437.db2.gz JFSXAAZHIYCXDV-MRXNPFEDSA-N 0 0 322.799 4.740 20 30 DJEDRN N#Cc1ccc(N2CCS[C@@H](c3ccccc3)C2)cc1Cl ZINC000301810650 336331630 /nfs/dbraw/zinc/33/16/30/336331630.db2.gz XHASJZXGIVOISD-QGZVFWFLSA-N 0 0 314.841 4.506 20 30 DJEDRN CC[C@H](Nc1ccc(C#N)c(C(F)(F)F)c1)c1c(C)noc1C ZINC000301833391 336332946 /nfs/dbraw/zinc/33/29/46/336332946.db2.gz SDUBFORCZOXVNI-AWEZNQCLSA-N 0 0 323.318 4.745 20 30 DJEDRN Cc1ccccc1[C@@H](Nc1snc(Cl)c1C#N)C(C)C ZINC000301947370 336339411 /nfs/dbraw/zinc/33/94/11/336339411.db2.gz DBIOXDYQRIPYFD-ZDUSSCGKSA-N 0 0 305.834 4.786 20 30 DJEDRN CCOc1ccccc1[C@@H](CC)Nc1snc(Cl)c1C#N ZINC000301964050 336340235 /nfs/dbraw/zinc/34/02/35/336340235.db2.gz SUULSBYBCHRVCD-GFCCVEGCSA-N 0 0 321.833 4.630 20 30 DJEDRN C=CCCC[C@@H](C)NC(=O)c1cc(C)cc(C)c1Br ZINC000461092948 339059007 /nfs/dbraw/zinc/05/90/07/339059007.db2.gz HIYCLLZIQJUELT-CYBMUJFWSA-N 0 0 324.262 4.541 20 30 DJEDRN C[C@H]1CCN(c2cc(C#N)nc3ccccc32)[C@@H](c2ccco2)C1 ZINC000302056981 336345944 /nfs/dbraw/zinc/34/59/44/336345944.db2.gz QSCNTBJVZBPHKH-IFXJQAMLSA-N 0 0 317.392 4.677 20 30 DJEDRN CC(=O)c1ccc(C#N)c(NCc2ccc3ccccc3c2)c1 ZINC000302126448 336349773 /nfs/dbraw/zinc/34/97/73/336349773.db2.gz WNAGQIILZNAQIZ-UHFFFAOYSA-N 0 0 300.361 4.526 20 30 DJEDRN CC(=O)c1ccc(C#N)c(N2CCC[C@@H](c3ccccc3)CC2)c1 ZINC000302129601 336349894 /nfs/dbraw/zinc/34/98/94/336349894.db2.gz XOSIJVCKZAARNQ-GOSISDBHSA-N 0 0 318.420 4.535 20 30 DJEDRN C[C@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)c1cc2ccccc2s1 ZINC000302209728 336354102 /nfs/dbraw/zinc/35/41/02/336354102.db2.gz YKFQKASHWSDXIO-NSHDSACASA-N 0 0 323.377 4.854 20 30 DJEDRN C=C(C)[C@@H](Nc1ccc(Cl)c(C#N)n1)c1ccc(F)c(F)c1 ZINC000302356472 336357551 /nfs/dbraw/zinc/35/75/51/336357551.db2.gz DSLXZFSUWVMYSQ-MRXNPFEDSA-N 0 0 319.742 4.614 20 30 DJEDRN N#Cc1cnc2ccccc2c1N1CCC(c2ccsc2)CC1 ZINC000302372626 336357688 /nfs/dbraw/zinc/35/76/88/336357688.db2.gz CNUZUDZVVASSSH-UHFFFAOYSA-N 0 0 319.433 4.552 20 30 DJEDRN Cc1c2ccccc2oc1[C@@H](C)Nc1c(C#N)cccc1C#N ZINC000302852568 336371929 /nfs/dbraw/zinc/37/19/29/336371929.db2.gz QIIGPSUSEBTXGM-CYBMUJFWSA-N 0 0 301.349 4.658 20 30 DJEDRN CC[C@@H](C)N(C)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000105039613 336397588 /nfs/dbraw/zinc/39/75/88/336397588.db2.gz QREUSKCOXMGZQP-CQSZACIVSA-N 0 0 323.396 4.613 20 30 DJEDRN C=CCS[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000114757333 336401499 /nfs/dbraw/zinc/40/14/99/336401499.db2.gz AXRKVLNOWIBKPR-MRVPVSSYSA-N 0 0 323.767 4.605 20 30 DJEDRN C=CCc1cccc(C(C)C)c1NC(=O)c1ccc2cc[nH]c2n1 ZINC000356830759 336562330 /nfs/dbraw/zinc/56/23/30/336562330.db2.gz AGTJCNLSTIQZSU-UHFFFAOYSA-N 0 0 319.408 4.667 20 30 DJEDRN C=CCOc1ccc(OCc2cc(F)cc3cccnc32)cc1 ZINC000360846297 336724295 /nfs/dbraw/zinc/72/42/95/336724295.db2.gz QHTOJJUTZLCTBN-UHFFFAOYSA-N 0 0 309.340 4.518 20 30 DJEDRN Cc1oc(C(C)C)cc1C(=O)Nc1sc(C)c(C)c1C#N ZINC000360935228 336728316 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ZINC000373215981 336953051 /nfs/dbraw/zinc/95/30/51/336953051.db2.gz LHVRECLEQOHLCY-CQSZACIVSA-N 0 0 313.401 4.516 20 30 DJEDRN COc1ccc2cc([C@@H](C)[NH2+]Cc3cccc(C#N)c3)ccc2c1 ZINC000193871688 337079738 /nfs/dbraw/zinc/07/97/38/337079738.db2.gz NEESDXHOAHWIKP-OAHLLOKOSA-N 0 0 316.404 4.571 20 30 DJEDRN COc1ccc2cc([C@H](C)[NH2+]Cc3cccc(C#N)c3)ccc2c1 ZINC000193871670 337079768 /nfs/dbraw/zinc/07/97/68/337079768.db2.gz NEESDXHOAHWIKP-HNNXBMFYSA-N 0 0 316.404 4.571 20 30 DJEDRN CC[C@H](Nc1cccc(OCCCC#N)c1)c1ccccc1O ZINC000193905906 337081306 /nfs/dbraw/zinc/08/13/06/337081306.db2.gz KKXJRZMQLUEBRW-SFHVURJKSA-N 0 0 310.397 4.638 20 30 DJEDRN CC1(C)CCCC[C@@H]1C(=O)Nc1ccccc1SCCC#N ZINC000194067713 337081514 /nfs/dbraw/zinc/08/15/14/337081514.db2.gz KHNUKWWQWPPKIW-CQSZACIVSA-N 0 0 316.470 4.847 20 30 DJEDRN CC(C)c1nc(CSCc2cccc(C#N)c2F)cs1 ZINC000583710031 337095104 /nfs/dbraw/zinc/09/51/04/337095104.db2.gz FVSHPRMKMGSQAF-UHFFFAOYSA-N 0 0 306.431 4.711 20 30 DJEDRN 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CC#CCCCC(=O)N1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000458121341 338989056 /nfs/dbraw/zinc/98/90/56/338989056.db2.gz HUDAGTOZRPVIOC-HXUWFJFHSA-N 0 0 309.453 4.714 20 30 DJEDRN CCCC[C@H](C)N(C)C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000458850479 339007171 /nfs/dbraw/zinc/00/71/71/339007171.db2.gz UPJKGRKOMFBXRN-FUHWJXTLSA-N 0 0 315.461 4.642 20 30 DJEDRN C=CCCCCCN(C)C(=O)Nc1ccc(OC)c(SC)c1 ZINC000459780389 339048122 /nfs/dbraw/zinc/04/81/22/339048122.db2.gz TZKZZNPQRYTWRC-UHFFFAOYSA-N 0 0 322.474 4.627 20 30 DJEDRN CC(C)CCCC(=O)N(Cc1ccco1)c1ccccc1C#N ZINC000459969367 339051150 /nfs/dbraw/zinc/05/11/50/339051150.db2.gz NZTYVYUWYLWSLG-UHFFFAOYSA-N 0 0 310.397 4.511 20 30 DJEDRN CCc1cc(C#N)c(NC(=O)c2ccc(C(C)(F)F)cc2)s1 ZINC000460021935 339051907 /nfs/dbraw/zinc/05/19/07/339051907.db2.gz QCGIINHBTMAYNL-UHFFFAOYSA-N 0 0 320.364 4.546 20 30 DJEDRN C=CCn1c2ccccc2nc1SCc1nc(C)c(C)s1 ZINC000461546133 339064913 /nfs/dbraw/zinc/06/49/13/339064913.db2.gz UOPDSKFGGMGMQK-UHFFFAOYSA-N 0 0 315.467 4.588 20 30 DJEDRN Cc1nc(N[C@H]2CCSc3ccccc32)c(Cl)cc1C#N ZINC000461720812 339065889 /nfs/dbraw/zinc/06/58/89/339065889.db2.gz BCZZJLMRGSSXGL-AWEZNQCLSA-N 0 0 315.829 4.564 20 30 DJEDRN Cc1ccccc1[C@@H]1CCCN1c1nc(C)c(C#N)cc1Cl ZINC000461783747 339067023 /nfs/dbraw/zinc/06/70/23/339067023.db2.gz FJYZTGTUUXKBML-KRWDZBQOSA-N 0 0 311.816 4.565 20 30 DJEDRN C[C@@H](c1nc(-c2cc3ccccc3o2)no1)c1cccc(C#N)c1 ZINC000461790029 339067190 /nfs/dbraw/zinc/06/71/90/339067190.db2.gz GHKZDAGSDQVGAV-GFCCVEGCSA-N 0 0 315.332 4.506 20 30 DJEDRN Cc1ccccc1[C@H](NC(=O)CCCC#N)[C@@H]1CCC[C@@H](C)C1 ZINC000462076137 339071940 /nfs/dbraw/zinc/07/19/40/339071940.db2.gz STFGTWQDABFXLD-WRWLIDTKSA-N 0 0 312.457 4.673 20 30 DJEDRN N#CCCCC(=O)N[C@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000462226543 339074500 /nfs/dbraw/zinc/07/45/00/339074500.db2.gz ABFMCDAOOFQANK-SFHVURJKSA-N 0 0 318.848 4.771 20 30 DJEDRN Cc1ccc(-c2nc(CNc3cc(C#N)ccc3C)cs2)o1 ZINC000462234145 339074780 /nfs/dbraw/zinc/07/47/80/339074780.db2.gz SHXXVONFRGWINL-UHFFFAOYSA-N 0 0 309.394 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CCc1c(C)sc(NC(=O)c2cc(F)cc(Cl)c2)c1C#N ZINC000465455869 339177363 /nfs/dbraw/zinc/17/73/63/339177363.db2.gz ARKXOODFCUIVDQ-UHFFFAOYSA-N 0 0 322.792 4.535 20 30 DJEDRN C=C(C)C[C@@H](C)C(=O)Nc1sc(-c2ccccc2)nc1C ZINC000466257179 339197986 /nfs/dbraw/zinc/19/79/86/339197986.db2.gz PIQBCDGCXGYQCC-GFCCVEGCSA-N 0 0 300.427 4.659 20 30 DJEDRN C=C(C)C[C@@H](C)C(=O)N1CC=C(c2ccccc2Cl)CC1 ZINC000466267500 339198236 /nfs/dbraw/zinc/19/82/36/339198236.db2.gz JNDBSCNKHSQSLS-CQSZACIVSA-N 0 0 303.833 4.558 20 30 DJEDRN CCc1noc(C)c1COc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000466307082 339199019 /nfs/dbraw/zinc/19/90/19/339199019.db2.gz JCIGLTMIGZSSOR-UHFFFAOYSA-N 0 0 318.376 4.663 20 30 DJEDRN C=CC[C@@H](CC)NC(=O)N(CC)[C@@H](C)c1cc2ccccc2o1 ZINC000466326926 339199768 /nfs/dbraw/zinc/19/97/68/339199768.db2.gz VMUUKEWJBDDPFV-GOEBONIOSA-N 0 0 314.429 4.880 20 30 DJEDRN C=CC[C@@H](CC)NC(=O)N1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000466389137 339201986 /nfs/dbraw/zinc/20/19/86/339201986.db2.gz ODDUFBHSBMXYTH-MSOLQXFVSA-N 0 0 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CC[C@@H](C)CCC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000352689778 336230567 /nfs/dbraw/zinc/23/05/67/336230567.db2.gz RMRQHNYAOUMXQN-ZIAGYGMSSA-N 0 0 304.459 4.846 20 30 DJEDRN C=CCN(Cc1ccccc1)C(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000103589373 336241750 /nfs/dbraw/zinc/24/17/50/336241750.db2.gz UOHZIYVQNPUEGD-UHFFFAOYSA-N 0 0 319.408 4.696 20 30 DJEDRN C=CCN(Cc1cccs1)C(=O)Nc1ccc(C)cc1C ZINC000043143188 336246152 /nfs/dbraw/zinc/24/61/52/336246152.db2.gz LVUNIOQGTGTIAU-UHFFFAOYSA-N 0 0 300.427 4.585 20 30 DJEDRN CC(C)c1ccccc1NC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000043229815 336246702 /nfs/dbraw/zinc/24/67/02/336246702.db2.gz KPKMVQURNJLXEX-AWEZNQCLSA-N 0 0 307.397 4.564 20 30 DJEDRN C=CCn1c2ccccc2nc1S[C@H](C)C(=O)c1ccccc1 ZINC000104524132 336254391 /nfs/dbraw/zinc/25/43/91/336254391.db2.gz NKSWNHBNATXESP-CQSZACIVSA-N 0 0 322.433 4.586 20 30 DJEDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccc2ccccc2c1 ZINC000324862808 336267103 /nfs/dbraw/zinc/26/71/03/336267103.db2.gz MRXIEWHIXKQLPD-CYBMUJFWSA-N 0 0 317.348 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315.785 4.540 20 30 DJEDRN N#Cc1c(F)cccc1Nc1cccc(COCc2ccco2)c1 ZINC000301137139 336291665 /nfs/dbraw/zinc/29/16/65/336291665.db2.gz BLVMUTMRLAQPGA-UHFFFAOYSA-N 0 0 322.339 4.751 20 30 DJEDRN C[C@@H](Nc1ccc(Nc2ccc(C#N)cn2)cc1)c1ccccc1 ZINC000301141723 336291896 /nfs/dbraw/zinc/29/18/96/336291896.db2.gz IONOVYSVBQRADV-OAHLLOKOSA-N 0 0 314.392 4.870 20 30 DJEDRN Cc1c2ccccc2oc1[C@@H](C)Nc1ccc(Cl)c(C#N)n1 ZINC000301169200 336292978 /nfs/dbraw/zinc/29/29/78/336292978.db2.gz IZEUACALLMIVLQ-LLVKDONJSA-N 0 0 311.772 4.834 20 30 DJEDRN CCSc1ccc([C@@H](C)Nc2snc(Cl)c2C#N)cc1 ZINC000301178496 336293475 /nfs/dbraw/zinc/29/34/75/336293475.db2.gz GZCIDWYRZWSSPO-SECBINFHSA-N 0 0 323.874 4.953 20 30 DJEDRN CCSc1ccc([C@H](C)Nc2snc(Cl)c2C#N)cc1 ZINC000301178497 336293479 /nfs/dbraw/zinc/29/34/79/336293479.db2.gz GZCIDWYRZWSSPO-VIFPVBQESA-N 0 0 323.874 4.953 20 30 DJEDRN N#Cc1cc(F)ccc1N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000301196755 336294354 /nfs/dbraw/zinc/29/43/54/336294354.db2.gz KLWBUQDPWSQQEC-MRXNPFEDSA-N 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CCc1cc(C#N)c(NC(=O)CC[C@@H](C)c2ccccc2)s1 ZINC000440791131 338397575 /nfs/dbraw/zinc/39/75/75/338397575.db2.gz HIHBMFXWPTYSEJ-CYBMUJFWSA-N 0 0 312.438 4.705 20 30 DJEDRN C=CCCCCCN(C)C(=O)Nc1cc(Cl)cc(F)c1F ZINC000442186759 338422188 /nfs/dbraw/zinc/42/21/88/338422188.db2.gz UDHNFSBOPXBHAR-UHFFFAOYSA-N 0 0 316.779 4.828 20 30 DJEDRN N#C[C@H]1CC[C@H](Nc2cccc(Cl)c2SCC(F)F)C1 ZINC000442851749 338434659 /nfs/dbraw/zinc/43/46/59/338434659.db2.gz GJAJMCSTSVZQHU-UWVGGRQHSA-N 0 0 316.804 4.801 20 30 DJEDRN Cc1ccc(SCC(F)(F)F)c(N[C@H]2CC[C@H](C#N)C2)c1 ZINC000442853733 338434759 /nfs/dbraw/zinc/43/47/59/338434759.db2.gz JMQGHIIHDXXFTB-RYUDHWBXSA-N 0 0 314.376 4.754 20 30 DJEDRN Cc1ccc(SCC(F)(F)F)c(N[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000442853735 338434880 /nfs/dbraw/zinc/43/48/80/338434880.db2.gz JMQGHIIHDXXFTB-VXGBXAGGSA-N 0 0 314.376 4.754 20 30 DJEDRN CCC(C)(C)OCc1cccc(N[C@H]2CC[C@H](C#N)C2)c1C ZINC000442872023 338436812 /nfs/dbraw/zinc/43/68/12/338436812.db2.gz YHTGKSASDKPCLC-RDJZCZTQSA-N 0 0 300.446 4.804 20 30 DJEDRN C=C(C)CN(CC)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000446862179 338538893 /nfs/dbraw/zinc/53/88/93/338538893.db2.gz PTKIZAZJACRJAC-NSHDSACASA-N 0 0 315.244 4.662 20 30 DJEDRN C=C(C)CN(CC)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000446858002 338538948 /nfs/dbraw/zinc/53/89/48/338538948.db2.gz PTKIZAZJACRJAC-LLVKDONJSA-N 0 0 315.244 4.662 20 30 DJEDRN CCCc1ccccc1NC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000160114441 338542747 /nfs/dbraw/zinc/54/27/47/338542747.db2.gz KVZGWAIQKGPDTC-IBGZPJMESA-N 0 0 321.424 4.806 20 30 DJEDRN C=CCC[C@@H](NC(=O)N[C@@H](CC)c1ccncc1)c1ccccc1 ZINC000160374424 338548256 /nfs/dbraw/zinc/54/82/56/338548256.db2.gz GRQFDKCTVPPINN-RBUKOAKNSA-N 0 0 323.440 4.539 20 30 DJEDRN CC[C@@H](Nc1cccc(OC(F)F)c1)c1ccc(C#N)cc1 ZINC000447588267 338559828 /nfs/dbraw/zinc/55/98/28/338559828.db2.gz UMKJCQHULJUWCQ-MRXNPFEDSA-N 0 0 302.324 4.723 20 30 DJEDRN CC[C@H](Nc1ccccc1OCCCOC)c1ccc(C#N)cc1 ZINC000447597545 338560965 /nfs/dbraw/zinc/56/09/65/338560965.db2.gz 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305.406 4.602 20 30 DJEDRN C=C(C)C[C@@H](C)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000362226560 336788583 /nfs/dbraw/zinc/78/85/83/336788583.db2.gz HWLSPAMRPFVWKH-RISCZKNCSA-N 0 0 309.862 4.595 20 30 DJEDRN Cc1oc2ccccc2c1C(=O)Nc1sc(C)c(C)c1C#N ZINC000362226305 336788607 /nfs/dbraw/zinc/78/86/07/336788607.db2.gz CBRZJVNOGXPZNP-UHFFFAOYSA-N 0 0 310.378 4.544 20 30 DJEDRN C[C@H](C#N)Oc1ccccc1N[C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000369216929 336860786 /nfs/dbraw/zinc/86/07/86/336860786.db2.gz WCGKZTDPRHSJFY-NUJGCVRESA-N 0 0 321.424 4.511 20 30 DJEDRN C=CCc1cccc(C(C)C)c1NC(=O)N1CC2(C1)CCCC2 ZINC000372775952 336939241 /nfs/dbraw/zinc/93/92/41/336939241.db2.gz MNHOQCQNKOYRGT-UHFFFAOYSA-N 0 0 312.457 4.946 20 30 DJEDRN C=CCC(CC=C)C(=O)N1CCC[C@H]1c1ccc(OCC)cc1 ZINC000121574142 336964181 /nfs/dbraw/zinc/96/41/81/336964181.db2.gz UVRGYQFLJMDXAN-IBGZPJMESA-N 0 0 313.441 4.517 20 30 DJEDRN Cc1ccc2sc(C(=O)N[C@H](C)c3ccc(C#N)cc3)cc2c1 ZINC000582455510 337061931 /nfs/dbraw/zinc/06/19/31/337061931.db2.gz 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ZINC000511976313 340344166 /nfs/dbraw/zinc/34/41/66/340344166.db2.gz BAPJGZHIFXFQNO-UHFFFAOYSA-N 0 0 302.830 4.556 20 30 DJEDRN Cc1ccc(N[C@H](C)c2ccc(C#N)cc2F)cc1OC(F)F ZINC000512278879 340355067 /nfs/dbraw/zinc/35/50/67/340355067.db2.gz DWISNOQPOQIMPG-LLVKDONJSA-N 0 0 320.314 4.780 20 30 DJEDRN C[C@@H](NC1(c2cccc(Cl)c2)CC1)c1ccc(C#N)cc1F ZINC000512284037 340355271 /nfs/dbraw/zinc/35/52/71/340355271.db2.gz WRGDGGPPNSYQPP-GFCCVEGCSA-N 0 0 314.791 4.691 20 30 DJEDRN C[C@@H](NC1(c2ccc(Cl)cc2)CC1)c1ccc(C#N)cc1F ZINC000512287207 340355562 /nfs/dbraw/zinc/35/55/62/340355562.db2.gz GOESBZOZIRAEOH-GFCCVEGCSA-N 0 0 314.791 4.691 20 30 DJEDRN CSc1ccc(C)c(N[C@H](C)c2ccc(C#N)cc2F)c1 ZINC000512288843 340355698 /nfs/dbraw/zinc/35/56/98/340355698.db2.gz OTJOGNVLRONDDV-GFCCVEGCSA-N 0 0 300.402 4.901 20 30 DJEDRN C[C@@H](SCCCCC1CCOCC1)c1cccc(C#N)c1 ZINC000512376703 340359318 /nfs/dbraw/zinc/35/93/18/340359318.db2.gz BTOPZAHPGALSQT-OAHLLOKOSA-N 0 0 303.471 4.949 20 30 DJEDRN C=CCCO[C@H](C)C(=O)Nc1cccc(CSC(C)C)c1C ZINC000173368839 340363607 /nfs/dbraw/zinc/36/36/07/340363607.db2.gz AXTVQALVIWJXAK-OAHLLOKOSA-N 0 0 321.486 4.556 20 30 DJEDRN C[C@H](NCc1ccc(Cl)cc1Cl)c1ccc(C#N)cc1F ZINC000512618831 340369196 /nfs/dbraw/zinc/36/91/96/340369196.db2.gz JYFWAHZRFAMAMP-JTQLQIEISA-N 0 0 323.198 4.855 20 30 DJEDRN C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)c1ccc(C#N)cc1F ZINC000512623186 340369481 /nfs/dbraw/zinc/36/94/81/340369481.db2.gz DOOOYZRIDWDSGZ-NWDGAFQWSA-N 0 0 302.780 4.763 20 30 DJEDRN C[C@@H]([NH2+][C@H](c1ccccc1)C1CCC1)c1ccc(C#N)cc1F ZINC000512629558 340369885 /nfs/dbraw/zinc/36/98/85/340369885.db2.gz JGLSUMUOWHOALW-JLTOFOAXSA-N 0 0 308.400 4.889 20 30 DJEDRN CC[C@@H](N[C@H](C)c1ccc(C#N)cc1F)c1ccc(F)cc1F ZINC000512641086 340370428 /nfs/dbraw/zinc/37/04/28/340370428.db2.gz DDBKVPJCWSNMJX-ADLMAVQZSA-N 0 0 318.342 4.777 20 30 DJEDRN C[C@H](NCc1ccc(-c2ccccc2)o1)c1ccc(C#N)cc1F ZINC000512662402 340371686 /nfs/dbraw/zinc/37/16/86/340371686.db2.gz WYYGEXJIORATGX-AWEZNQCLSA-N 0 0 320.367 4.808 20 30 DJEDRN C=CC[C@H](C(=O)N1CCC(C)=C(c2ccco2)C1)c1ccccc1 ZINC000512741928 340375407 /nfs/dbraw/zinc/37/54/07/340375407.db2.gz BZWQSRYLBYNUIP-SFHVURJKSA-N 0 0 321.420 4.645 20 30 DJEDRN C=C(C)C[C@@H](C)C(=O)Nc1cc(-c2cncc(F)c2)ccc1C ZINC000512770718 340376935 /nfs/dbraw/zinc/37/69/35/340376935.db2.gz GGMPVACPDVZEKV-CQSZACIVSA-N 0 0 312.388 4.737 20 30 DJEDRN C=CCCc1ccccc1NC(=O)c1ccc(OC)c(Cl)c1 ZINC000512778539 340377246 /nfs/dbraw/zinc/37/72/46/340377246.db2.gz HITFCJOACQMLNY-UHFFFAOYSA-N 0 0 315.800 4.720 20 30 DJEDRN C=CCOc1cccc(NC(=O)N(C)[C@@H](C)c2ccccc2C)c1 ZINC000512803727 340378445 /nfs/dbraw/zinc/37/84/45/340378445.db2.gz ZZNSCVYJJDRLIE-INIZCTEOSA-N 0 0 324.424 4.785 20 30 DJEDRN Cc1cc2c(o1)CC(C)(C)C[C@@H]2Nc1ncc(C#N)cc1Cl ZINC000513635225 340416247 /nfs/dbraw/zinc/41/62/47/340416247.db2.gz KVWXBGFGCILSIX-AWEZNQCLSA-N 0 0 315.804 4.634 20 30 DJEDRN N#Cc1cnc(N2CCC[C@H]2c2ccc(Cl)cc2)c(Cl)c1 ZINC000513635865 340416277 /nfs/dbraw/zinc/41/62/77/340416277.db2.gz SEZVYQSCBHUZCP-HNNXBMFYSA-N 0 0 318.207 4.602 20 30 DJEDRN N#Cc1cnc(N2CCC[C@H]2c2cccc(Cl)c2)c(Cl)c1 ZINC000513645798 340416904 /nfs/dbraw/zinc/41/69/04/340416904.db2.gz PYNDTTNSJUQLFA-HNNXBMFYSA-N 0 0 318.207 4.602 20 30 DJEDRN Cc1ccc([C@@H]2CCCN2c2ncc(C#N)cc2Cl)cc1C ZINC000513650271 340417083 /nfs/dbraw/zinc/41/70/83/340417083.db2.gz LMOFULCGSAPOEL-KRWDZBQOSA-N 0 0 311.816 4.565 20 30 DJEDRN CC(C)(C)CN(CCC#N)C(=O)CCC(C)(C)c1ccccc1 ZINC000513776471 340424347 /nfs/dbraw/zinc/42/43/47/340424347.db2.gz GHVRWYIOZXXSIM-UHFFFAOYSA-N 0 0 314.473 4.533 20 30 DJEDRN C=CCOc1cccc(NC(=O)N(C)CCC2CCCCC2)c1 ZINC000513869188 340429672 /nfs/dbraw/zinc/42/96/72/340429672.db2.gz HQYZYAQRYYQVPF-UHFFFAOYSA-N 0 0 316.445 4.686 20 30 DJEDRN C=CCOc1ccc(-c2nc3cc(F)ccc3s2)cc1OC ZINC000513869047 340429718 /nfs/dbraw/zinc/42/97/18/340429718.db2.gz FVLYRQWLLOIKFP-UHFFFAOYSA-N 0 0 315.369 4.676 20 30 DJEDRN CC(C)(C#N)CCCSc1nc2ccccc2n1C(F)F ZINC000177224067 340437749 /nfs/dbraw/zinc/43/77/49/340437749.db2.gz HNCXTYZANVSFIF-UHFFFAOYSA-N 0 0 309.385 4.853 20 30 DJEDRN C[C@@H](SCc1ccccc1C#N)c1nc(-c2ccccc2)no1 ZINC000177622252 340442129 /nfs/dbraw/zinc/44/21/29/340442129.db2.gz LYSNGKJPVRGQJT-CYBMUJFWSA-N 0 0 321.405 4.603 20 30 DJEDRN C[C@@H]1CCC[C@H](c2noc(C[C@@H](CC#N)c3ccccc3)n2)C1 ZINC000516892387 340458080 /nfs/dbraw/zinc/45/80/80/340458080.db2.gz JGACKXIZZGSJET-OIISXLGYSA-N 0 0 309.413 4.603 20 30 DJEDRN CC(C)(c1noc(-c2ccc(C#N)c(Cl)c2)n1)c1ccccc1 ZINC000517202101 340465432 /nfs/dbraw/zinc/46/54/32/340465432.db2.gz RFEOQKOPUVILLI-UHFFFAOYSA-N 0 0 323.783 4.588 20 30 DJEDRN C=C1CCN(C(=O)c2ccc(-c3ccc(C)cc3)cc2F)CC1 ZINC000517453167 340469937 /nfs/dbraw/zinc/46/99/37/340469937.db2.gz NSOHBZYMTIGVEI-UHFFFAOYSA-N 0 0 309.384 4.593 20 30 DJEDRN COc1cc(CNc2ccc(C#N)c(C(F)(F)F)c2)ccc1C ZINC000517577308 340472649 /nfs/dbraw/zinc/47/26/49/340472649.db2.gz PRSUIUDRFUBAMX-UHFFFAOYSA-N 0 0 320.314 4.506 20 30 DJEDRN C=CC1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 ZINC000517658671 340474810 /nfs/dbraw/zinc/47/48/10/340474810.db2.gz OBANQOINYFMOCP-UHFFFAOYSA-N 0 0 307.393 4.517 20 30 DJEDRN C=C(C)C[C@H](C)C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000184878537 340496150 /nfs/dbraw/zinc/49/61/50/340496150.db2.gz FITRTLHKLOJEAO-AWEZNQCLSA-N 0 0 319.408 4.771 20 30 DJEDRN C=CC[C@H](C(=O)Nc1ccc(-c2cnco2)cc1)c1ccccc1 ZINC000186914758 340516882 /nfs/dbraw/zinc/51/68/82/340516882.db2.gz VGUSHSCMMRQMPH-SFHVURJKSA-N 0 0 318.376 4.640 20 30 DJEDRN N#CCCCSCc1csc(Cc2ccc(Cl)cc2)n1 ZINC000190915982 340548059 /nfs/dbraw/zinc/54/80/59/340548059.db2.gz KRUJKNFPMFALSX-UHFFFAOYSA-N 0 0 322.886 4.924 20 30 DJEDRN C=C(C)CN(CC)C(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000195565243 340581747 /nfs/dbraw/zinc/58/17/47/340581747.db2.gz VMZDPEMSYQPARR-GOSISDBHSA-N 0 0 300.446 4.526 20 30 DJEDRN CCCOc1ccc(Cl)cc1NCc1ccccc1C#N ZINC000226365656 340583653 /nfs/dbraw/zinc/58/36/53/340583653.db2.gz JPXUKZTZBVTXJV-UHFFFAOYSA-N 0 0 300.789 4.613 20 30 DJEDRN C/C(=C\c1ccccc1)CNc1cccc(OCCCC#N)c1 ZINC000522283960 340597159 /nfs/dbraw/zinc/59/71/59/340597159.db2.gz PIJSFPXADOYHCC-SAPNQHFASA-N 0 0 306.409 4.885 20 30 DJEDRN CS[C@@H]1CCC[C@@H](Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000227359803 340598420 /nfs/dbraw/zinc/59/84/20/340598420.db2.gz GFIKYIXVHUIFRB-DGCLKSJQSA-N 0 0 314.376 4.663 20 30 DJEDRN Cc1c(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)oc2c1c(C)ccc2C ZINC000522642286 340606442 /nfs/dbraw/zinc/60/64/42/340606442.db2.gz AOMMAPYPQPNANH-FKIZINRSSA-N 0 0 324.424 4.560 20 30 DJEDRN Cc1c(CS[C@@H](C)c2ccc(C#N)cc2)cccc1[N+](=O)[O-] ZINC000522842246 340607892 /nfs/dbraw/zinc/60/78/92/340607892.db2.gz MJLCZKHLIUKILR-ZDUSSCGKSA-N 0 0 312.394 4.769 20 30 DJEDRN C=CCN(CC=C)C(=O)[C@H](C)S[C@@H](CC)c1ccc(F)cc1 ZINC000523389411 340622748 /nfs/dbraw/zinc/62/27/48/340622748.db2.gz RQBHDZPRKKKXOL-YOEHRIQHSA-N 0 0 321.461 4.599 20 30 DJEDRN C=CCCCCCN(C)C(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000523575519 340628941 /nfs/dbraw/zinc/62/89/41/340628941.db2.gz XIFVUYFINILAMD-ZIAGYGMSSA-N 0 0 323.839 4.787 20 30 DJEDRN Cc1csc(-c2cccc(OCc3ccc(C#N)cc3)c2)n1 ZINC000303204592 340633769 /nfs/dbraw/zinc/63/37/69/340633769.db2.gz YJTQJSCWJGIKCI-UHFFFAOYSA-N 0 0 306.390 4.569 20 30 DJEDRN CCCCn1c(C)c(C)nc1S[C@@H](C#N)C1CCCCC1 ZINC000523712882 340635651 /nfs/dbraw/zinc/63/56/51/340635651.db2.gz KPHOEOHWCVUAQH-INIZCTEOSA-N 0 0 305.491 4.865 20 30 DJEDRN N#Cc1cccc(Cl)c1NCc1cccc(C(F)(F)F)c1 ZINC000303449759 340636163 /nfs/dbraw/zinc/63/61/63/340636163.db2.gz JGENLTWWXJFLGX-UHFFFAOYSA-N 0 0 310.706 4.843 20 30 DJEDRN C=C(C)CN(CC)C(=O)N[C@H](c1ccccc1Cl)C(C)C ZINC000523779369 340639483 /nfs/dbraw/zinc/63/94/83/340639483.db2.gz DBBIUQPHMCXRBJ-INIZCTEOSA-N 0 0 308.853 4.645 20 30 DJEDRN C=C(C)CN(CC)C(=O)N[C@@H](c1ccccc1Cl)C(C)C ZINC000523779370 340639549 /nfs/dbraw/zinc/63/95/49/340639549.db2.gz DBBIUQPHMCXRBJ-MRXNPFEDSA-N 0 0 308.853 4.645 20 30 DJEDRN C=CCCSc1nnc(-c2ccco2)n1C1CCCCC1 ZINC000303819063 340641533 /nfs/dbraw/zinc/64/15/33/340641533.db2.gz OXZQWHJCZZINTP-UHFFFAOYSA-N 0 0 303.431 4.712 20 30 DJEDRN C=CC[C@H](C)NC(=O)N[C@@H](CCc1ccccc1)c1ccccc1 ZINC000523949274 340644919 /nfs/dbraw/zinc/64/49/19/340644919.db2.gz RBOJYXPIFOUHLR-PXNSSMCTSA-N 0 0 322.452 4.624 20 30 DJEDRN C=CCN(Cc1ccccc1)C(=O)c1cc2c(ccc(C)c2C)[nH]1 ZINC000523977915 340645310 /nfs/dbraw/zinc/64/53/10/340645310.db2.gz RPPRQYAULSHKRL-UHFFFAOYSA-N 0 0 318.420 4.613 20 30 DJEDRN N#Cc1cccnc1NCc1ccccc1-c1ccc(Cl)cc1 ZINC000524265403 340651301 /nfs/dbraw/zinc/65/13/01/340651301.db2.gz HSMIVFKAVAIWES-UHFFFAOYSA-N 0 0 319.795 4.886 20 30 DJEDRN CCc1c(C)sc(NC(=O)c2ccc(Cl)cc2F)c1C#N ZINC000524330315 340652790 /nfs/dbraw/zinc/65/27/90/340652790.db2.gz HIEJDDUIBFYSNM-UHFFFAOYSA-N 0 0 322.792 4.535 20 30 DJEDRN C=CC1CCN(C(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000524660987 340660506 /nfs/dbraw/zinc/66/05/06/340660506.db2.gz CHVOJMNUNZGZFZ-CVEARBPZSA-N 0 0 324.251 4.522 20 30 DJEDRN CC[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)c1ccc(Cl)cc1 ZINC000315906018 340677300 /nfs/dbraw/zinc/67/73/00/340677300.db2.gz RHTFGUDQSIIDGX-OAHLLOKOSA-N 0 0 315.760 4.683 20 30 DJEDRN C=CCCNc1ccc(Cl)cc1C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000524843847 340682227 /nfs/dbraw/zinc/68/22/27/340682227.db2.gz IMGFPBRAGDQHDW-KBPBESRZSA-N 0 0 320.864 4.731 20 30 DJEDRN CC(C)(CNc1cc(C#N)c2ccccc2n1)c1cccs1 ZINC000316702215 340694785 /nfs/dbraw/zinc/69/47/85/340694785.db2.gz KKKMAJMEGAGMJF-UHFFFAOYSA-N 0 0 307.422 4.558 20 30 DJEDRN N#Cc1ccc(Oc2ccc(F)cc2[N+](=O)[O-])c2ccccc12 ZINC000322623659 340705495 /nfs/dbraw/zinc/70/54/95/340705495.db2.gz OLXNFQHNAUDANU-UHFFFAOYSA-N 0 0 308.268 4.551 20 30 DJEDRN C[C@@H](Nc1cccc2c1OC(C)(C)C2)c1ccc(C#N)cc1F ZINC000530387746 340790070 /nfs/dbraw/zinc/79/00/70/340790070.db2.gz NZNQQYLWRQLVDO-GFCCVEGCSA-N 0 0 310.372 4.584 20 30 DJEDRN C=C[C@@H](CC(=O)Nc1cccc(C(F)F)c1)c1ccccc1 ZINC000125301436 340803371 /nfs/dbraw/zinc/80/33/71/340803371.db2.gz CDKWOXFHHCHQHL-ZDUSSCGKSA-N 0 0 301.336 4.923 20 30 DJEDRN C=CCN(C(=O)C[C@H](Cc1ccccc1)c1ccccc1)C1CC1 ZINC000537991023 340806074 /nfs/dbraw/zinc/80/60/74/340806074.db2.gz QVTKMIDJGWKDHF-FQEVSTJZSA-N 0 0 319.448 4.580 20 30 DJEDRN C[C@H](NCc1cccc(C#N)c1F)c1cccc(Cl)c1Cl ZINC000538215879 340813724 /nfs/dbraw/zinc/81/37/24/340813724.db2.gz PLOPMYXXRMIEIO-JTQLQIEISA-N 0 0 323.198 4.855 20 30 DJEDRN C=CCCOCCCCC(=O)N(C)[C@H](C)c1cccc(Cl)c1 ZINC000538263929 340815504 /nfs/dbraw/zinc/81/55/04/340815504.db2.gz KRLNHYDTWMFJJY-OAHLLOKOSA-N 0 0 323.864 4.622 20 30 DJEDRN C=CCCOCCCCC(=O)Nc1cc(C(C)C)c(O)cc1C ZINC000538281455 340816110 /nfs/dbraw/zinc/81/61/10/340816110.db2.gz FXIVCWDCIXWARX-UHFFFAOYSA-N 0 0 319.445 4.526 20 30 DJEDRN Cc1cccc(COc2ccc([C@H](C)NCC3(C#N)CC3)cc2)c1 ZINC000538391804 340820252 /nfs/dbraw/zinc/82/02/52/340820252.db2.gz VIRRZPWIGXJDRO-KRWDZBQOSA-N 0 0 320.436 4.528 20 30 DJEDRN C[C@H](SCCc1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1 ZINC000538667914 340837555 /nfs/dbraw/zinc/83/75/55/340837555.db2.gz FFEHOKMPLFOVGV-ZDUSSCGKSA-N 0 0 312.394 4.503 20 30 DJEDRN Cc1cnc([C@@H](C)Nc2cccc(Oc3ccc(C#N)cc3)c2)o1 ZINC000538875543 340860182 /nfs/dbraw/zinc/86/01/82/340860182.db2.gz OBTRNEPJJXLBJZ-CQSZACIVSA-N 0 0 319.364 4.820 20 30 DJEDRN C=CCN(C(=O)N[C@@H](CC(C)(C)C)c1ccccc1)C1CC1 ZINC000538959020 340863548 /nfs/dbraw/zinc/86/35/48/340863548.db2.gz KCZJANXJIJUEED-KRWDZBQOSA-N 0 0 300.446 4.524 20 30 DJEDRN C=CCN(C(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1)C1CC1 ZINC000539013114 340865297 /nfs/dbraw/zinc/86/52/97/340865297.db2.gz VSRVFMOFWOEIJN-QGZVFWFLSA-N 0 0 318.848 4.541 20 30 DJEDRN C=CCCC[C@@H](C)NC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000539389047 340883454 /nfs/dbraw/zinc/88/34/54/340883454.db2.gz VKCUXPBFLRRCAY-ZIAGYGMSSA-N 0 0 308.853 4.787 20 30 DJEDRN C=CCCOCCCCC(=O)N1CCCCC[C@H]1CC(C)C ZINC000539403310 340884033 /nfs/dbraw/zinc/88/40/33/340884033.db2.gz PGPMALFTMSBCCD-SFHVURJKSA-N 0 0 309.494 4.567 20 30 DJEDRN C=CCCC[C@H](C)NC(=O)N1CCCCC[C@H]1c1ccco1 ZINC000539464873 340886316 /nfs/dbraw/zinc/88/63/16/340886316.db2.gz CANKCPYHFPVXBZ-HOTGVXAUSA-N 0 0 304.434 4.651 20 30 DJEDRN CC(C)C[C@@](C)(C#N)NC(=O)CCCc1ccc2ccccc2c1 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Cc1csc(C(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 ZINC000294747449 334213013 /nfs/dbraw/zinc/21/30/13/334213013.db2.gz XEDNFYARHODRLV-LBPRGKRZSA-N 0 0 316.451 4.561 20 30 DJEDRN CC(C)Oc1cccc(N[C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000296621130 334235477 /nfs/dbraw/zinc/23/54/77/334235477.db2.gz WVYXALBSGITWAK-OAHLLOKOSA-N 0 0 310.397 4.549 20 30 DJEDRN C=CCCCCNC(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000471706548 334241850 /nfs/dbraw/zinc/24/18/50/334241850.db2.gz QSSUYEWQBGQMAV-CYBMUJFWSA-N 0 0 313.363 4.672 20 30 DJEDRN CC(C)(C#N)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000298250108 334247421 /nfs/dbraw/zinc/24/74/21/334247421.db2.gz DLWHRUJREJDCMM-UHFFFAOYSA-N 0 0 305.592 4.525 20 30 DJEDRN Cc1ccccc1-c1cnc(CSc2ccc(C#N)cc2F)o1 ZINC000534527774 334278973 /nfs/dbraw/zinc/27/89/73/334278973.db2.gz RYGXNCGCIZNSIQ-UHFFFAOYSA-N 0 0 324.380 4.953 20 30 DJEDRN C#CCCCCC(=O)N(Cc1cccs1)Cc1cccs1 ZINC000119582444 334285151 /nfs/dbraw/zinc/28/51/51/334285151.db2.gz PGGJKYGKXUOLRW-UHFFFAOYSA-N 0 0 317.479 4.532 20 30 DJEDRN C=C[C@@H](CC(=O)N[C@@H](CC)c1ccc(OC)cc1)c1ccccc1 ZINC000534604551 334297373 /nfs/dbraw/zinc/29/73/73/334297373.db2.gz DJRTVCFJHKDNJQ-JXFKEZNVSA-N 0 0 323.436 4.622 20 30 DJEDRN N#Cc1c(Cl)cccc1NCc1cccc(C(F)(F)F)c1 ZINC000048935824 334302900 /nfs/dbraw/zinc/30/29/00/334302900.db2.gz WDDDOFXIQVMPKJ-UHFFFAOYSA-N 0 0 310.706 4.843 20 30 DJEDRN C=C[C@@H](CC(=O)Nc1cccc(OC(F)F)c1)c1ccccc1 ZINC000534638286 334310246 /nfs/dbraw/zinc/31/02/46/334310246.db2.gz SWKZZRWPVPJUOR-ZDUSSCGKSA-N 0 0 317.335 4.586 20 30 DJEDRN C=C[C@H](CC(=O)N[C@H]1CCC[C@@H](SCC)C1)c1ccccc1 ZINC000534661090 334315874 /nfs/dbraw/zinc/31/58/74/334315874.db2.gz ZSNRNONMGQIOCD-BPQIPLTHSA-N 0 0 317.498 4.527 20 30 DJEDRN C=C[C@@H](CC(=O)N(Cc1ccccc1F)C1CC1)c1ccccc1 ZINC000534649021 334316848 /nfs/dbraw/zinc/31/68/48/334316848.db2.gz PVIXGJCVEUZDOM-INIZCTEOSA-N 0 0 323.411 4.677 20 30 DJEDRN C=C[C@H](CC(=O)Nc1nc(C(C)C)cs1)c1ccccc1 ZINC000534671391 334320520 /nfs/dbraw/zinc/32/05/20/334320520.db2.gz SDCRTTCVKACFQI-CYBMUJFWSA-N 0 0 300.427 4.565 20 30 DJEDRN C=C[C@H](CC(=O)N[C@@H]1CCC[C@H]1c1ccccc1)c1ccccc1 ZINC000534677703 334323772 /nfs/dbraw/zinc/32/37/72/334323772.db2.gz OAYMEZUICZYTPT-JRGCBEDISA-N 0 0 319.448 4.799 20 30 DJEDRN C=C[C@@H](CC(=O)Nc1ccc(F)cc1Cl)c1ccccc1 ZINC000534703632 334328707 /nfs/dbraw/zinc/32/87/07/334328707.db2.gz BFPWKBRGWAPKKS-LBPRGKRZSA-N 0 0 303.764 4.778 20 30 DJEDRN C=CCN(Cc1ccccc1)C(=O)C[C@@H](C)c1ccccc1C ZINC000303708364 334329664 /nfs/dbraw/zinc/32/96/64/334329664.db2.gz PKGSUAQTMRSYIT-GOSISDBHSA-N 0 0 307.437 4.703 20 30 DJEDRN COc1ccc(/C=C/c2nc3cc(C)ccc3s2)cc1C#N ZINC000303862498 334337259 /nfs/dbraw/zinc/33/72/59/334337259.db2.gz GUGOCNHMGJMTPU-VMPITWQZSA-N 0 0 306.390 4.655 20 30 DJEDRN C=CCCCC(=O)Nc1ccc(Br)cc1C(C)C ZINC000534808286 334337906 /nfs/dbraw/zinc/33/79/06/334337906.db2.gz OIXPIRPZVXZQHW-UHFFFAOYSA-N 0 0 310.235 4.867 20 30 DJEDRN CCC(CC)[C@@H](C)C(=O)Nc1ccccc1SCCC#N ZINC000534906274 334348074 /nfs/dbraw/zinc/34/80/74/334348074.db2.gz MUJNSSNOTMRKPF-CYBMUJFWSA-N 0 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/nfs/dbraw/zinc/45/30/60/338453060.db2.gz AMXQCRGCTIDCJG-UHFFFAOYSA-N 0 0 316.286 4.505 20 30 DJEDRN C[C@@H]1C[C@H]1N(C(=O)C[C@@H](CC#N)c1ccccc1)c1ccccc1 ZINC000415902698 334626576 /nfs/dbraw/zinc/62/65/76/334626576.db2.gz YZSCTFIFSPVDHF-YVWKXTFCSA-N 0 0 318.420 4.516 20 30 DJEDRN Cc1cc2cc(C(=O)Nc3ccc(C#N)c(Cl)c3)oc2cc1C ZINC000443814807 338461010 /nfs/dbraw/zinc/46/10/10/338461010.db2.gz JSTXYJGOSNLETK-UHFFFAOYSA-N 0 0 324.767 4.827 20 30 DJEDRN C=CCC[C@@H](Nc1ncccn1)c1ccc(C(F)(F)F)cc1 ZINC000535329397 334717090 /nfs/dbraw/zinc/71/70/90/334717090.db2.gz LDWUWQLSCAXTIQ-CQSZACIVSA-N 0 0 307.319 4.615 20 30 DJEDRN N#Cc1cccc(COc2cc(Br)ccc2Cl)c1 ZINC000070194703 334729170 /nfs/dbraw/zinc/72/91/70/334729170.db2.gz LMXHUXGEAJGYOF-UHFFFAOYSA-N 0 0 322.589 4.553 20 30 DJEDRN N#Cc1ccc(NC(=O)c2cccc(-c3ccoc3)c2)c(Cl)c1 ZINC000535517778 334737915 /nfs/dbraw/zinc/73/79/15/334737915.db2.gz XDYKXGLNAPOXHV-UHFFFAOYSA-N 0 0 322.751 4.724 20 30 DJEDRN N#Cc1c(NC(=O)CC2CCC2)sc2c1-c1ccccc1CC2 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Cc1noc(C)c1CCC(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000328988276 334771579 /nfs/dbraw/zinc/77/15/79/334771579.db2.gz CIMDZARGGMZBAR-ARFHVFGLSA-N 0 0 304.434 4.539 20 30 DJEDRN N#C[C@H](NC(=O)[C@@H]1CCSc2ccccc21)C1CCCCC1 ZINC000328992935 334771866 /nfs/dbraw/zinc/77/18/66/334771866.db2.gz IVQVNIVMLHAHDG-CVEARBPZSA-N 0 0 314.454 4.695 20 30 DJEDRN Cc1nc(C(C)(C)C)sc1C(=O)Nc1ccc(C)c(O)c1C ZINC000330592702 334793600 /nfs/dbraw/zinc/79/36/00/334793600.db2.gz RTCKNNPIEASZND-UHFFFAOYSA-N 0 0 318.442 4.708 20 30 DJEDRN CC[C@H](NC(=O)c1csc(C(C)(C)C)n1)c1nc(C)cs1 ZINC000330628249 334798416 /nfs/dbraw/zinc/79/84/16/334798416.db2.gz YNYAFDRFWHMFJU-JTQLQIEISA-N 0 0 323.487 4.661 20 30 DJEDRN CC(C)c1ccc(NC(=O)NC[C@]2(C)CCOC2)c(C(C)C)c1 ZINC000330754887 334807968 /nfs/dbraw/zinc/80/79/68/334807968.db2.gz JTXKFWHJQCVRRW-IBGZPJMESA-N 0 0 318.461 4.686 20 30 DJEDRN Cc1noc(C(C)C)c1C(=O)N[C@H](C)c1c(C)cccc1C ZINC000330865326 334816552 /nfs/dbraw/zinc/81/65/52/334816552.db2.gz NUHSLZJDEQUORR-CYBMUJFWSA-N 0 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QJTGMMWDLZOGSM-MRXNPFEDSA-N 0 0 308.447 4.596 20 30 DJEDRN C=CC[C@@H]1N(C(=O)c2nc3ccccc3s2)CCCC1(C)C ZINC000444636662 338477673 /nfs/dbraw/zinc/47/76/73/338477673.db2.gz OINYDWMMWVMLCV-HNNXBMFYSA-N 0 0 314.454 4.503 20 30 DJEDRN C[C@H]1CC[C@H](CC(=O)N(Cc2ccco2)c2ccccc2C#N)C1 ZINC000345473192 335328171 /nfs/dbraw/zinc/32/81/71/335328171.db2.gz WHDQFJBHHCLJEK-HOTGVXAUSA-N 0 0 322.408 4.511 20 30 DJEDRN C=CCN(Cc1ccccc1)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000518921049 335716177 /nfs/dbraw/zinc/71/61/77/335716177.db2.gz GAXWJNJCJZCUSU-UHFFFAOYSA-N 0 0 316.404 4.510 20 30 DJEDRN Cc1c2ccccc2oc1-c1noc(-c2cccc(CC#N)c2)n1 ZINC000445505723 338497359 /nfs/dbraw/zinc/49/73/59/338497359.db2.gz SSDNJWHMMJMOHD-UHFFFAOYSA-N 0 0 315.332 4.524 20 30 DJEDRN Cc1c2ccccc2oc1-c1noc(-c2ccc(CC#N)cc2)n1 ZINC000445505729 338497365 /nfs/dbraw/zinc/49/73/65/338497365.db2.gz PTHYKYAGBMLRBA-UHFFFAOYSA-N 0 0 315.332 4.524 20 30 DJEDRN CCCCCc1ccc(NCc2cnc3ccc(C#N)cn23)cc1 ZINC000535837838 335792435 /nfs/dbraw/zinc/79/24/35/335792435.db2.gz AWMQOOQYUMAQNN-UHFFFAOYSA-N 0 0 318.424 4.551 20 30 DJEDRN CCCOc1ccc(C(F)(F)F)cc1NCc1ccc(C#N)o1 ZINC000535845162 335793849 /nfs/dbraw/zinc/79/38/49/335793849.db2.gz NRBMLWPDZFVRPX-UHFFFAOYSA-N 0 0 324.302 4.571 20 30 DJEDRN N#CCCCOc1cccc(-c2nc3c(cccc3Cl)[nH]2)c1 ZINC000536138021 335822884 /nfs/dbraw/zinc/82/28/84/335822884.db2.gz WHIXBRPDCCFOCF-UHFFFAOYSA-N 0 0 311.772 4.566 20 30 DJEDRN CCn1c2ccc(C#N)cc2nc1-c1cccc(-c2cccnc2)c1 ZINC000536142219 335823861 /nfs/dbraw/zinc/82/38/61/335823861.db2.gz OOOOLOBPVACXER-UHFFFAOYSA-N 0 0 324.387 4.657 20 30 DJEDRN C=C[C@@H](CC(=O)Nc1ccc(C)c(OC)c1C)c1ccccc1 ZINC000536150141 335825873 /nfs/dbraw/zinc/82/58/73/335825873.db2.gz JWWLFTCCFCZWLJ-INIZCTEOSA-N 0 0 309.409 4.610 20 30 DJEDRN C=C[C@H](CC(=O)Nc1nc(-c2ccco2)cs1)c1ccccc1 ZINC000536187574 335828803 /nfs/dbraw/zinc/82/88/03/335828803.db2.gz WYRLTZDZNLBIHO-CYBMUJFWSA-N 0 0 324.405 4.702 20 30 DJEDRN C=C1CCN(C(=O)c2cccc(-c3ccccc3OCC)c2)CC1 ZINC000536744073 335875217 /nfs/dbraw/zinc/87/52/17/335875217.db2.gz IGVWCXFKFJPNAQ-UHFFFAOYSA-N 0 0 321.420 4.545 20 30 DJEDRN CCCN(C(=O)Nc1ccc(C#N)cc1)[C@H](CC)c1ccccc1 ZINC000520153465 335918515 /nfs/dbraw/zinc/91/85/15/335918515.db2.gz INCJMWIJYBQWNC-LJQANCHMSA-N 0 0 321.424 4.953 20 30 DJEDRN CCCN(C(=O)Nc1ccc(C#N)cc1)[C@@H](CC)c1ccccc1 ZINC000520153464 335918575 /nfs/dbraw/zinc/91/85/75/335918575.db2.gz INCJMWIJYBQWNC-IBGZPJMESA-N 0 0 321.424 4.953 20 30 DJEDRN CC(C)c1nnc(CNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)s1 ZINC000329169782 335947546 /nfs/dbraw/zinc/94/75/46/335947546.db2.gz JTGXRWOVLQUIBY-BFHYXJOUSA-N 0 0 321.490 4.725 20 30 DJEDRN Cc1noc(C)c1C[C@H](C)NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000329172162 335948275 /nfs/dbraw/zinc/94/82/75/335948275.db2.gz KYFUMWUIEINGLY-KKBVYLPWSA-N 0 0 318.461 4.785 20 30 DJEDRN Cc1noc(Cl)c1CCC(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000329236052 335954192 /nfs/dbraw/zinc/95/41/92/335954192.db2.gz NZXXDXRGCRZSNJ-MELADBBJSA-N 0 0 324.852 4.884 20 30 DJEDRN 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C=CCCC[C@@H](C)NC(=O)N1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000432369559 338154259 /nfs/dbraw/zinc/15/42/59/338154259.db2.gz WNEXCKVEAMQDRC-AEFFLSMTSA-N 0 0 312.457 4.668 20 30 DJEDRN C=CCC(C)(C)CNC(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000432574289 338159499 /nfs/dbraw/zinc/15/94/99/338159499.db2.gz ODWFTDIRWFYVBH-CQSZACIVSA-N 0 0 314.429 4.738 20 30 DJEDRN C=CCCCCCN(C)C(=O)NCc1ccc(C(C)(F)F)cc1 ZINC000432598442 338160240 /nfs/dbraw/zinc/16/02/40/338160240.db2.gz QLJJYRRDIMAZQW-UHFFFAOYSA-N 0 0 324.415 4.686 20 30 DJEDRN CCc1cccc(NC(=O)N[C@@H](CCCC#N)c2ccccc2)c1 ZINC000432733417 338164673 /nfs/dbraw/zinc/16/46/73/338164673.db2.gz DVWUVSLKPYSSDX-IBGZPJMESA-N 0 0 321.424 4.806 20 30 DJEDRN CC[C@@H](C)Oc1cccc(NC(=O)Nc2cc(C#N)ccc2C)c1 ZINC000432761710 338166877 /nfs/dbraw/zinc/16/68/77/338166877.db2.gz BDTPDDWRMXDODR-CQSZACIVSA-N 0 0 323.396 4.688 20 30 DJEDRN C=CCCC[C@H](C)NC(=O)Nc1cc(-c2cccnc2)ccc1C ZINC000432816176 338168827 /nfs/dbraw/zinc/16/88/27/338168827.db2.gz NOZRXBRRULAFHE-INIZCTEOSA-N 0 0 323.440 4.923 20 30 DJEDRN Cc1c(C#N)cccc1NC(=O)C1(c2cccs2)CCCCC1 ZINC000432830802 338169795 /nfs/dbraw/zinc/16/97/95/338169795.db2.gz HCCMLOTXGVBCPY-UHFFFAOYSA-N 0 0 324.449 4.769 20 30 DJEDRN C=C(C)COc1cccc(NC(=O)N2CC(C)(C)[C@@H]2C(C)C)c1 ZINC000432841111 338170349 /nfs/dbraw/zinc/17/03/49/338170349.db2.gz SOCVARBOQKYKQB-KRWDZBQOSA-N 0 0 316.445 4.540 20 30 DJEDRN Cc1c(C#N)cccc1NC(=O)c1c(Cl)cc(F)cc1Cl ZINC000432994837 338175727 /nfs/dbraw/zinc/17/57/27/338175727.db2.gz VWCUJEROXSYXRN-UHFFFAOYSA-N 0 0 323.154 4.565 20 30 DJEDRN CCCc1nc(CN[C@@H](CCCC#N)c2ccccc2)cs1 ZINC000433015542 338176358 /nfs/dbraw/zinc/17/63/58/338176358.db2.gz XQJUJFUVRUXNNV-KRWDZBQOSA-N 0 0 313.470 4.620 20 30 DJEDRN C=CCCCC(=O)N1CCc2c(Cl)cc(Cl)cc2[C@H]1C ZINC000433067764 338179907 /nfs/dbraw/zinc/17/99/07/338179907.db2.gz OQYMSKROMSFZQY-LLVKDONJSA-N 0 0 312.240 4.795 20 30 DJEDRN C=CCC[C@H](CCC)Nc1cccc(NC(=O)NCC)c1C ZINC000433083779 338180887 /nfs/dbraw/zinc/18/08/87/338180887.db2.gz OYGGOAPCXGSEJE-HNNXBMFYSA-N 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MMZYYQUNUDXIOJ-UHFFFAOYSA-N 0 0 314.335 4.521 20 30 DJEDRN Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N1CCCC(C)(C)[C@@H]1C#N ZINC000434018784 338207467 /nfs/dbraw/zinc/20/74/67/338207467.db2.gz SFDLRWUVLRTMMC-RYRKJORJSA-N 0 0 324.468 4.517 20 30 DJEDRN CC1(C)CCCN(C(=O)C2CCC(c3ccccc3)CC2)[C@@H]1C#N ZINC000434030222 338208030 /nfs/dbraw/zinc/20/80/30/338208030.db2.gz GKOZKXXBTMNIQW-CTWPCTMYSA-N 0 0 324.468 4.501 20 30 DJEDRN CC(=O)c1cc(Cl)c(Cl)cc1OCc1cccc(C#N)c1 ZINC000434740622 338224385 /nfs/dbraw/zinc/22/43/85/338224385.db2.gz ZJNKAAOOAIHSIY-UHFFFAOYSA-N 0 0 320.175 4.647 20 30 DJEDRN C=CCCCCCN(C)C(=O)Nc1cc(OC)c(C)cc1C ZINC000434896869 338227103 /nfs/dbraw/zinc/22/71/03/338227103.db2.gz QVDRSMNHDOKPRH-UHFFFAOYSA-N 0 0 304.434 4.522 20 30 DJEDRN C=CCC[C@H](NC(=O)N(C)CCc1ccccc1)c1ccccc1 ZINC000435094082 338231945 /nfs/dbraw/zinc/23/19/45/338231945.db2.gz JYDKDEAPPLTIFV-FQEVSTJZSA-N 0 0 322.452 4.578 20 30 DJEDRN C=CCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccccc1 ZINC000435274832 338236173 /nfs/dbraw/zinc/23/61/73/338236173.db2.gz MPDCPXLGGXOVQP-IBGZPJMESA-N 0 0 318.420 4.534 20 30 DJEDRN C=CCC[C@H](NC(=O)CCCc1cccs1)c1ccccc1 ZINC000435281093 338236362 /nfs/dbraw/zinc/23/63/62/338236362.db2.gz VIVYYOYLXNOIOK-SFHVURJKSA-N 0 0 313.466 4.895 20 30 DJEDRN CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)Cc1cc(C#N)cs1 ZINC000435295803 338236694 /nfs/dbraw/zinc/23/66/94/338236694.db2.gz CLGJQZFCEFAZNS-QGZVFWFLSA-N 0 0 302.418 4.588 20 30 DJEDRN Cc1oc(C#N)cc1C(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000435395307 338239021 /nfs/dbraw/zinc/23/90/21/338239021.db2.gz SBCZIOOYKIWTBD-UHFFFAOYSA-N 0 0 318.332 4.504 20 30 DJEDRN C[C@@H](c1ccc(Cl)cc1)[S@@](=O)CCCCC(C)(C)C#N ZINC000435424989 338239825 /nfs/dbraw/zinc/23/98/25/338239825.db2.gz XWQAIEACRBYYTI-RBZFPXEDSA-N 0 0 311.878 4.870 20 30 DJEDRN C=CCC[C@H](NC(=O)Nc1cccc(COC)c1)c1ccccc1 ZINC000435671435 338244863 /nfs/dbraw/zinc/24/48/63/338244863.db2.gz JMRAJZZUSNWWIQ-IBGZPJMESA-N 0 0 324.424 4.662 20 30 DJEDRN CC(F)(F)c1cccc(NCc2ccc(Cl)cc2C#N)c1 ZINC000435897111 338252287 /nfs/dbraw/zinc/25/22/87/338252287.db2.gz IFDPLNSJLDOJRD-UHFFFAOYSA-N 0 0 306.743 4.935 20 30 DJEDRN C=CC[C@@H]1N(C(=O)Nc2ccccc2Cl)CCCC1(C)C ZINC000436096871 338258241 /nfs/dbraw/zinc/25/82/41/338258241.db2.gz GKVOIYDKCOKFSX-HNNXBMFYSA-N 0 0 306.837 4.939 20 30 DJEDRN C=CC[C@H]1N(C(=O)Nc2nc(C3CC3)cs2)CCCC1(C)C ZINC000436102975 338258372 /nfs/dbraw/zinc/25/83/72/338258372.db2.gz OIQLOXRYMSCUCK-CQSZACIVSA-N 0 0 319.474 4.619 20 30 DJEDRN C=CC[C@@H]1N(C(=O)Nc2nc(C3CC3)cs2)CCCC1(C)C ZINC000436102974 338258408 /nfs/dbraw/zinc/25/84/08/338258408.db2.gz OIQLOXRYMSCUCK-AWEZNQCLSA-N 0 0 319.474 4.619 20 30 DJEDRN C=C[C@H](CC(=O)Nc1nc(C2CCC2)cs1)c1ccccc1 ZINC000436170541 338260459 /nfs/dbraw/zinc/26/04/59/338260459.db2.gz MMYCMRBIGDYJOL-CYBMUJFWSA-N 0 0 312.438 4.709 20 30 DJEDRN COc1ccc(CSc2nc(-c3ccccc3)co2)cc1C#N ZINC000436238990 338262921 /nfs/dbraw/zinc/26/29/21/338262921.db2.gz FJEPIWKUXSWOOU-UHFFFAOYSA-N 0 0 322.389 4.514 20 30 DJEDRN Cc1ccc(C[C@@H](C#N)Sc2nc(-c3ccccc3)co2)cc1 ZINC000436255093 338263839 /nfs/dbraw/zinc/26/38/39/338263839.db2.gz WVTGDHBRVSVMKQ-KRWDZBQOSA-N 0 0 320.417 4.877 20 30 DJEDRN CCN(C(=O)[C@@H]1CCCCC1(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000436429790 338272284 /nfs/dbraw/zinc/27/22/84/338272284.db2.gz HZAITBOJRUBTKH-QAPCUYQASA-N 0 0 312.457 4.684 20 30 DJEDRN N#Cc1cccc(C(=O)N2CCCC[C@H]2c2cccc(Cl)c2)c1 ZINC000436456688 338272893 /nfs/dbraw/zinc/27/28/93/338272893.db2.gz ROJIHRMOXYRUTJ-SFHVURJKSA-N 0 0 324.811 4.579 20 30 DJEDRN C=CCC(CC=C)C(=O)Nc1cnn(-c2cc(C)ccc2C)c1C ZINC000437047240 338298826 /nfs/dbraw/zinc/29/88/26/338298826.db2.gz POUMMZBAGULEHF-UHFFFAOYSA-N 0 0 323.440 4.504 20 30 DJEDRN C=CCCC1(C(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)CC1 ZINC000437275871 338305711 /nfs/dbraw/zinc/30/57/11/338305711.db2.gz RJVKGEVDZZNJRN-RBUKOAKNSA-N 0 0 305.421 4.558 20 30 DJEDRN C=CCCC1(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000437315844 338306923 /nfs/dbraw/zinc/30/69/23/338306923.db2.gz MVFYPUBPSIBRSL-SWLSCSKDSA-N 0 0 324.251 4.712 20 30 DJEDRN C=CC[C@@H](C(=O)N[C@H]1C[C@H](c2ccccc2F)C1)c1ccccc1 ZINC000437401643 338308949 /nfs/dbraw/zinc/30/89/49/338308949.db2.gz ANHFKMGHKWMUSL-ZHALLVOQSA-N 0 0 323.411 4.548 20 30 DJEDRN C=C[C@H](CC(=O)N[C@H]1C[C@H](c2ccccc2F)C1)c1ccccc1 ZINC000437413316 338309345 /nfs/dbraw/zinc/30/93/45/338309345.db2.gz QRGYFKDMRAIOKG-KBAYOESNSA-N 0 0 323.411 4.548 20 30 DJEDRN N#Cc1ccccc1Oc1ccc(NC(=O)C2CCCC2)cc1F ZINC000437462150 338310912 /nfs/dbraw/zinc/31/09/12/338310912.db2.gz MNUIMAGPZSKEGW-UHFFFAOYSA-N 0 0 324.355 4.618 20 30 DJEDRN CC(C)(C#N)CCCN1CCc2cc(Cl)cc(Cl)c2C1 ZINC000437506767 338311983 /nfs/dbraw/zinc/31/19/83/338311983.db2.gz IWHNIZYQXGHJCX-UHFFFAOYSA-N 0 0 311.256 4.681 20 30 DJEDRN N#CCN(Cc1cc(Cl)cc(C(F)(F)F)c1)C1CCCC1 ZINC000438095276 338331150 /nfs/dbraw/zinc/33/11/50/338331150.db2.gz IDXVGBGPELVDMM-UHFFFAOYSA-N 0 0 316.754 4.627 20 30 DJEDRN C=C(C)COc1cccc(NC(=O)N2C[C@@H](C)CCC[C@H]2C)c1 ZINC000438113873 338332720 /nfs/dbraw/zinc/33/27/20/338332720.db2.gz CMBSBQZJGQVGCJ-JKSUJKDBSA-N 0 0 316.445 4.684 20 30 DJEDRN Cc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(C#N)cc2C)o1 ZINC000438845297 338353620 /nfs/dbraw/zinc/35/36/20/338353620.db2.gz YCAZBQNLZXBILI-SFHVURJKSA-N 0 0 322.408 4.526 20 30 DJEDRN C=CCNC(=O)Nc1ccc([C@H](C)Sc2ccccc2)cc1 ZINC000438867281 338354347 /nfs/dbraw/zinc/35/43/47/338354347.db2.gz RTUVZYRWDOQTNM-AWEZNQCLSA-N 0 0 312.438 4.847 20 30 DJEDRN C=CCNC(=O)Nc1ccc([C@@H](C)Sc2ccccc2)cc1 ZINC000438867283 338354381 /nfs/dbraw/zinc/35/43/81/338354381.db2.gz RTUVZYRWDOQTNM-CQSZACIVSA-N 0 0 312.438 4.847 20 30 DJEDRN N#Cc1ccc(CSCc2nc(C3CC3)cs2)c(Cl)c1 ZINC000438874907 338354524 /nfs/dbraw/zinc/35/45/24/338354524.db2.gz HAHHOTPRCGAZPC-UHFFFAOYSA-N 0 0 320.870 4.979 20 30 DJEDRN Cc1ccc(-c2nc(COc3ccc(C#N)c(Cl)c3)co2)cc1 ZINC000438888015 338354721 /nfs/dbraw/zinc/35/47/21/338354721.db2.gz SPYRMNHKIOKDCR-UHFFFAOYSA-N 0 0 324.767 4.754 20 30 DJEDRN Cc1cc(C#N)ccc1C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000439017573 338358539 /nfs/dbraw/zinc/35/85/39/338358539.db2.gz AZLQGTKMZLSCSP-OAHLLOKOSA-N 0 0 314.388 4.511 20 30 DJEDRN N#Cc1cccc(C(=O)CSc2ccc3ccccc3c2)c1 ZINC000439067238 338360086 /nfs/dbraw/zinc/36/00/86/338360086.db2.gz NZAXABYZHIYSGY-UHFFFAOYSA-N 0 0 303.386 4.686 20 30 DJEDRN Cc1ccc(OCc2nc(-c3cccc(C#N)c3)cs2)cc1 ZINC000439146400 338362460 /nfs/dbraw/zinc/36/24/60/338362460.db2.gz HSUHPEUOUOPPKM-UHFFFAOYSA-N 0 0 306.390 4.569 20 30 DJEDRN COc1ccc2cc([C@@H](C)Sc3ccc(C#N)cn3)ccc2c1 ZINC000439280387 338365863 /nfs/dbraw/zinc/36/58/63/338365863.db2.gz ZGFRDTBCTZWJMC-CYBMUJFWSA-N 0 0 320.417 4.968 20 30 DJEDRN C=CC[C@@H](CC)NC(=O)Nc1cccc(C(F)F)c1Cl ZINC000439376619 338368184 /nfs/dbraw/zinc/36/81/84/338368184.db2.gz FZDZXQOQSHMPTA-SECBINFHSA-N 0 0 302.752 4.754 20 30 DJEDRN N#Cc1ccc(CN2CCC[C@@H]2c2ccsc2)c(Cl)c1 ZINC000439442928 338369570 /nfs/dbraw/zinc/36/95/70/338369570.db2.gz SMWLNZRHISFLGV-MRXNPFEDSA-N 0 0 302.830 4.610 20 30 DJEDRN C=CC[C@H](CC)NC(=O)Nc1cccc(COC(C)(C)C)c1C ZINC000439445203 338369689 /nfs/dbraw/zinc/36/96/89/338369689.db2.gz YIEVEHJVNOGFSQ-INIZCTEOSA-N 0 0 318.461 4.786 20 30 DJEDRN C=CC[C@H](CC)NC(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000439454176 338369917 /nfs/dbraw/zinc/36/99/17/338369917.db2.gz QUVODDLOKIEUSV-ZDUSSCGKSA-N 0 0 314.351 4.658 20 30 DJEDRN C[C@H](NCc1ccc(C#N)cc1Cl)c1ccc(F)cc1Cl ZINC000439463661 338370332 /nfs/dbraw/zinc/37/03/32/338370332.db2.gz SMMBQAGXBUFUGF-JTQLQIEISA-N 0 0 323.198 4.855 20 30 DJEDRN CC[C@H]1CC[C@H](C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000439526270 338372493 /nfs/dbraw/zinc/37/24/93/338372493.db2.gz ZPIRCLMAMIUCHL-AFYVEPGGSA-N 0 0 324.468 4.501 20 30 DJEDRN CC(C)(C)c1ccc(C(=O)N[C@H](CCC#N)c2ccccc2)cc1 ZINC000439657588 338375461 /nfs/dbraw/zinc/37/54/61/338375461.db2.gz DZOKDDXQCQPYLN-LJQANCHMSA-N 0 0 320.436 4.759 20 30 DJEDRN C=CCCCC(=O)N(C)c1ccc(OCc2ccccc2)cc1 ZINC000440567123 338390534 /nfs/dbraw/zinc/39/05/34/338390534.db2.gz MQDNCYUUQYOVQZ-UHFFFAOYSA-N 0 0 309.409 4.585 20 30 DJEDRN C[C@H](C#N)Sc1nc2c(o1)c(Cl)cc(Cl)c2Cl ZINC000440585995 338391297 /nfs/dbraw/zinc/39/12/97/338391297.db2.gz VGJZVSMDFGTSQF-SCSAIBSYSA-N 0 0 307.589 4.792 20 30 DJEDRN C=CCCC[C@@H](C)NC(=O)c1ccc(-c2csc(C)n2)cc1 ZINC000441286240 338407820 /nfs/dbraw/zinc/40/78/20/338407820.db2.gz HIXTVJHGVXNOJZ-CYBMUJFWSA-N 0 0 314.454 4.593 20 30 DJEDRN COc1ccc(CS[C@H](C)c2cccc(C#N)c2)cc1F ZINC000442726224 338429259 /nfs/dbraw/zinc/42/92/59/338429259.db2.gz WWOCHXMHXALZJN-GFCCVEGCSA-N 0 0 301.386 4.700 20 30 DJEDRN C=C[C@@](C)(CC)C(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000442847494 338434355 /nfs/dbraw/zinc/43/43/55/338434355.db2.gz XUUSRPQTJLOKFU-IRLDBZIGSA-N 0 0 319.448 4.763 20 30 DJEDRN Cc1ccc(SCC(F)(F)F)c(N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000442853732 338434753 /nfs/dbraw/zinc/43/47/53/338434753.db2.gz JMQGHIIHDXXFTB-NWDGAFQWSA-N 0 0 314.376 4.754 20 30 DJEDRN Cc1ccccc1COc1cccc(N[C@H]2CC[C@H](C#N)C2)c1 ZINC000442854342 338434919 /nfs/dbraw/zinc/43/49/19/338434919.db2.gz KTNZVVWJYJBNIE-LPHOPBHVSA-N 0 0 306.409 4.678 20 30 DJEDRN CCCOc1ccc(C(F)(F)F)cc1N[C@H]1CC[C@H](C#N)C1 ZINC000442875808 338437323 /nfs/dbraw/zinc/43/73/23/338437323.db2.gz ULECNXNBZIFUHU-AAEUAGOBSA-N 0 0 312.335 4.598 20 30 DJEDRN Cc1ccccc1-c1nnc(SCc2ccc(C#N)c(C)c2)o1 ZINC000447301933 338548644 /nfs/dbraw/zinc/54/86/44/338548644.db2.gz NLQSEQHXZYKEAM-UHFFFAOYSA-N 0 0 321.405 4.517 20 30 DJEDRN C=CCC[C@@H](NC(=O)N(C)[C@H](C)c1ccco1)c1ccccc1 ZINC000160443708 338550765 /nfs/dbraw/zinc/55/07/65/338550765.db2.gz XEGKGKQFJUQXMO-NVXWUHKLSA-N 0 0 312.413 4.690 20 30 DJEDRN C=CCC[C@H](NC(=O)N(C)[C@@H](C)c1ccco1)c1ccccc1 ZINC000160443327 338550840 /nfs/dbraw/zinc/55/08/40/338550840.db2.gz XEGKGKQFJUQXMO-RDJZCZTQSA-N 0 0 312.413 4.690 20 30 DJEDRN C[C@@H](NCc1ccc(F)c(C#N)c1)c1ccc(Cl)cc1Cl ZINC000160532650 338552675 /nfs/dbraw/zinc/55/26/75/338552675.db2.gz HNGLLXMTXKAGQV-SNVBAGLBSA-N 0 0 323.198 4.855 20 30 DJEDRN CC[C@@H](Nc1cc(OC)ccc1Cl)c1ccc(C#N)cc1 ZINC000447597503 338560976 /nfs/dbraw/zinc/56/09/76/338560976.db2.gz GJJCKSURBUMDFC-MRXNPFEDSA-N 0 0 300.789 4.783 20 30 DJEDRN CC[C@@H](Nc1ccccc1OCCCOC)c1ccc(C#N)cc1 ZINC000447597542 338560998 /nfs/dbraw/zinc/56/09/98/338560998.db2.gz SPFKLTPNJWUNNF-GOSISDBHSA-N 0 0 324.424 4.537 20 30 DJEDRN CC(C)C[C@@H]1C[C@H]1C(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000448944820 338580794 /nfs/dbraw/zinc/58/07/94/338580794.db2.gz TZCKZCCQRQZKAO-RBSFLKMASA-N 0 0 316.470 4.702 20 30 DJEDRN C=CCCCC[C@H](C)Nc1ccc(Cl)c(C[S@](C)=O)c1 ZINC000449233096 338604932 /nfs/dbraw/zinc/60/49/32/338604932.db2.gz KDPXLCKGGPHVGA-RBZFPXEDSA-N 0 0 313.894 4.765 20 30 DJEDRN C=CCCCC[C@H](C)Nc1cccc(NC(=O)N(C)C)c1C ZINC000449295425 338610301 /nfs/dbraw/zinc/61/03/01/338610301.db2.gz SAFWDWUXGYRYFZ-AWEZNQCLSA-N 0 0 303.450 4.635 20 30 DJEDRN C=CCC1(C(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)CCCC1 ZINC000450074531 338666026 /nfs/dbraw/zinc/66/60/26/338666026.db2.gz NREIIFJSRAIUPS-KGLIPLIRSA-N 0 0 317.395 4.608 20 30 DJEDRN C=CCC1(C(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)CCCC1 ZINC000450074530 338666058 /nfs/dbraw/zinc/66/60/58/338666058.db2.gz NREIIFJSRAIUPS-KBPBESRZSA-N 0 0 317.395 4.608 20 30 DJEDRN C=CCC1(C(=O)N[C@H]2CCOC3(CCCCC3)C2)CCCCC1 ZINC000450154591 338669286 /nfs/dbraw/zinc/66/92/86/338669286.db2.gz CXOYGEVAMRCISB-KRWDZBQOSA-N 0 0 319.489 4.511 20 30 DJEDRN C=CCC1(C(=O)N2CC=C(c3ccc(C)nc3)CC2)CCCCC1 ZINC000450580622 338692146 /nfs/dbraw/zinc/69/21/46/338692146.db2.gz OCDFOWLLHLYGHO-UHFFFAOYSA-N 0 0 324.468 4.532 20 30 DJEDRN C=CCC1(C(=O)N2Cc3cccc(Cl)c3C2)CCCCC1 ZINC000451765503 338743659 /nfs/dbraw/zinc/74/36/59/338743659.db2.gz PGGGMWSVONZHDQ-UHFFFAOYSA-N 0 0 303.833 4.709 20 30 DJEDRN C=CCC1(NC(=O)CCc2cncc3ccccc32)CCCCC1 ZINC000456361601 338927615 /nfs/dbraw/zinc/92/76/15/338927615.db2.gz FZZIHJWVMAVWSM-UHFFFAOYSA-N 0 0 322.452 4.563 20 30 DJEDRN CCSCc1ccc(NC(=O)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000456497591 338932115 /nfs/dbraw/zinc/93/21/15/338932115.db2.gz QGWCLIWRYKRSKT-AWEZNQCLSA-N 0 0 324.449 4.554 20 30 DJEDRN CC(C)CCCCC(=O)Nc1ccccc1SCCC#N ZINC000457548969 338968832 /nfs/dbraw/zinc/96/88/32/338968832.db2.gz KDNYPGBTEBEVNA-UHFFFAOYSA-N 0 0 304.459 4.847 20 30 DJEDRN CCCC[C@H](C)N(C)C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000458850481 339007098 /nfs/dbraw/zinc/00/70/98/339007098.db2.gz UPJKGRKOMFBXRN-WMZOPIPTSA-N 0 0 315.461 4.642 20 30 DJEDRN C=CCC1(C(=O)N2CCc3sccc3[C@@H]2CC)CCCC1 ZINC000459993101 339051410 /nfs/dbraw/zinc/05/14/10/339051410.db2.gz UFERNEGHNDTCSV-HNNXBMFYSA-N 0 0 303.471 4.720 20 30 DJEDRN CCCC(=O)N(Cc1ccc(Cl)cc1)c1cccc(C#N)c1 ZINC000460342312 339055816 /nfs/dbraw/zinc/05/58/16/339055816.db2.gz ZQIZSUWXOSDEIP-UHFFFAOYSA-N 0 0 312.800 4.545 20 30 DJEDRN Cc1ccccc1[C@H]1CCCN1c1nc(C)c(C#N)cc1Cl ZINC000461783748 339067115 /nfs/dbraw/zinc/06/71/15/339067115.db2.gz FJYZTGTUUXKBML-QGZVFWFLSA-N 0 0 311.816 4.565 20 30 DJEDRN C[C@@H](C(=O)N[C@H](c1ccccc1)C(C)(C)C)c1cccc(C#N)c1 ZINC000461930188 339068943 /nfs/dbraw/zinc/06/89/43/339068943.db2.gz DENAWQJLADYUEB-DNVCBOLYSA-N 0 0 320.436 4.565 20 30 DJEDRN C[C@@H](C(=O)N[C@@H](c1ccccc1)C(C)(C)C)c1cccc(C#N)c1 ZINC000461930187 339068994 /nfs/dbraw/zinc/06/89/94/339068994.db2.gz DENAWQJLADYUEB-BEFAXECRSA-N 0 0 320.436 4.565 20 30 DJEDRN Cc1ccc([C@H]2CCCN2c2nc(C)c(C#N)cc2Cl)s1 ZINC000461974156 339070270 /nfs/dbraw/zinc/07/02/70/339070270.db2.gz SBVLGVSHKULOOH-CQSZACIVSA-N 0 0 317.845 4.627 20 30 DJEDRN CCCc1occc1C(=O)Nc1cc(C(C)(C)C)sc1C#N ZINC000462112921 339072322 /nfs/dbraw/zinc/07/23/22/339072322.db2.gz PZIPSEWGLCLZCR-UHFFFAOYSA-N 0 0 316.426 4.715 20 30 DJEDRN CCSCc1cccc(NC(=O)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000462132789 339072755 /nfs/dbraw/zinc/07/27/55/339072755.db2.gz HHWUEVLMWNFQAW-AWEZNQCLSA-N 0 0 324.449 4.554 20 30 DJEDRN CCSCc1cccc(NC(=O)[C@H](C)c2cccc(C#N)c2)c1 ZINC000462132790 339072816 /nfs/dbraw/zinc/07/28/16/339072816.db2.gz HHWUEVLMWNFQAW-CQSZACIVSA-N 0 0 324.449 4.554 20 30 DJEDRN Cc1cc(Cl)c2ccccc2c1NC(=O)c1cccc(C#N)c1 ZINC000462205812 339073987 /nfs/dbraw/zinc/07/39/87/339073987.db2.gz GRXSTBSKZPDVQE-UHFFFAOYSA-N 0 0 320.779 4.926 20 30 DJEDRN CCCCc1nc(CNc2ccc(Cl)c(C#N)c2)cs1 ZINC000462219094 339074448 /nfs/dbraw/zinc/07/44/48/339074448.db2.gz KWKDSDGAKSJAPI-UHFFFAOYSA-N 0 0 305.834 4.623 20 30 DJEDRN C=CCCC[C@@H](C)Sc1nnc(COc2cccc(C)c2)o1 ZINC000462372803 339077204 /nfs/dbraw/zinc/07/72/04/339077204.db2.gz YNGBVBRHASJBME-CQSZACIVSA-N 0 0 318.442 4.794 20 30 DJEDRN C=CCCC[C@H](C)Sc1nnc(COc2cccc(C)c2)o1 ZINC000462372802 339077232 /nfs/dbraw/zinc/07/72/32/339077232.db2.gz YNGBVBRHASJBME-AWEZNQCLSA-N 0 0 318.442 4.794 20 30 DJEDRN N#CC[C@H](CC(=O)Nc1cccc(C2CCC2)c1)c1ccccc1 ZINC000462375287 339077398 /nfs/dbraw/zinc/07/73/98/339077398.db2.gz KTXNFGNNDMTRFJ-LJQANCHMSA-N 0 0 318.420 4.980 20 30 DJEDRN N#Cc1ccc(SCC(=O)Nc2cccc(C3CCC3)c2)cc1 ZINC000462384131 339077659 /nfs/dbraw/zinc/07/76/59/339077659.db2.gz NMNMJZOLBHRCSY-UHFFFAOYSA-N 0 0 322.433 4.557 20 30 DJEDRN CC(C)(C#N)c1ccc(C(=O)N[C@@H]2CCCCC23CCCC3)cc1 ZINC000462392951 339077955 /nfs/dbraw/zinc/07/79/55/339077955.db2.gz BAVQWUDOJVYDKU-GOSISDBHSA-N 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