smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1nc(C#N)c(C#N)nc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164698538 719815711 /nfs/dbraw/zinc/81/57/11/719815711.db2.gz DSNSHMRYVDKONO-UHFFFAOYSA-N 1 0 407.547 3.182 20 30 HGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc(Cl)nc1C#N)C2 ZINC001164812213 720097742 /nfs/dbraw/zinc/09/77/42/720097742.db2.gz PWLPRVYBBCFIFN-DNVCBOLYSA-N 1 0 410.896 3.336 20 30 HGEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)c(C)cc1C#N)CC2 ZINC001164714210 720112952 /nfs/dbraw/zinc/11/29/52/720112952.db2.gz AQMCNKHNFMUFEI-QFIPXVFZSA-N 1 0 405.546 3.473 20 30 HGEDRO CC1(C)CCCc2cc(C#N)c(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)nc21 ZINC001164744993 720596796 /nfs/dbraw/zinc/59/67/96/720596796.db2.gz TVNYOELRBDNTCQ-UHFFFAOYSA-N 1 0 404.562 3.422 20 30 HGEDRO N#Cc1c(Cl)c2ccc(F)cc2nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740787 720805111 /nfs/dbraw/zinc/80/51/11/720805111.db2.gz AJEJNAAKAJAWPJ-GJZGRUSLSA-N 1 0 424.867 3.031 20 30 HGEDRO CC(C)c1ccc(C#N)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164751234 720814008 /nfs/dbraw/zinc/81/40/08/720814008.db2.gz XORVWJAHUYXYME-RZUBCFFCSA-N 1 0 405.550 3.048 20 30 HGEDRO N#Cc1cccnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164750425 720871595 /nfs/dbraw/zinc/87/15/95/720871595.db2.gz JBKAEDVUQXRIFH-UPVQGACJSA-N 1 0 403.530 3.103 20 30 HGEDRO Cc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(C#N)c1 ZINC001164749975 720874296 /nfs/dbraw/zinc/87/42/96/720874296.db2.gz IFDDPASPJGQGFI-ILBGXUMGSA-N 1 0 417.557 3.412 20 30 HGEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc4ccc(C)cc4c(Cl)c3C#N)CC[C@H]2C1 ZINC001164860962 720893099 /nfs/dbraw/zinc/89/30/99/720893099.db2.gz WRWMZKGGRWMOQX-OXJNMPFZSA-N 1 0 414.937 3.242 20 30 HGEDRO N#Cc1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)cc(Cl)n1 ZINC001164867248 721084398 /nfs/dbraw/zinc/08/43/98/721084398.db2.gz XMAHTCXMILXJEQ-ROUUACIJSA-N 1 0 419.863 3.026 20 30 HGEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc5ccccc5c(Cl)c4C#N)C[C@@H]3C2)cn1 ZINC001164764928 721191856 /nfs/dbraw/zinc/19/18/56/721191856.db2.gz HDPHGVVAHIERSZ-SJORKVTESA-N 1 0 406.921 3.452 20 30 HGEDRO N#CCc1ccc(OCc2ccc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)nc2)cc1 ZINC001164967180 722075884 /nfs/dbraw/zinc/07/58/84/722075884.db2.gz MOGZXXKFKWABMS-ZRZAMGCNSA-N 1 0 404.514 3.026 20 30 HGEDRO C[NH+](C)CCOCc1ncn2c1CN(c1nc3ccccc3c(Cl)c1C#N)CCC2 ZINC001165003392 722255916 /nfs/dbraw/zinc/25/59/16/722255916.db2.gz BQCXAKDFNDFZAW-UHFFFAOYSA-N 1 0 424.936 3.445 20 30 HGEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[NH2+]CCO[C@@H]4C3)cnc2Cl)cc1 ZINC001164389399 718826586 /nfs/dbraw/zinc/82/65/86/718826586.db2.gz IFYPIUPDPHPHJR-QZTJIDSGSA-N 1 0 404.848 3.386 20 30 HGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)c(C#N)c1)C2 ZINC001164806927 720118713 /nfs/dbraw/zinc/11/87/13/720118713.db2.gz AACUULGGTSGMCD-HKUYNNGSSA-N 1 0 410.896 3.336 20 30 HGEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc4c(cc3C#N)CCCC4)CC[C@@H]21 ZINC001164841608 720603126 /nfs/dbraw/zinc/60/31/26/720603126.db2.gz TYMWXARRAFJMDJ-FUDKSRODSA-N 1 0 404.562 3.406 20 30 HGEDRO C=CCNC(=O)c1cccnc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164842339 720711032 /nfs/dbraw/zinc/71/10/32/720711032.db2.gz YMUOFHJRHRXYEV-OAQYLSRUSA-N 1 0 420.557 3.257 20 30 HGEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164837493 720738757 /nfs/dbraw/zinc/73/87/57/720738757.db2.gz MFMDFINVZKVPKN-UHFFFAOYSA-N 1 0 406.868 3.400 20 30 HGEDRO Cc1ccc2nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c(C#N)c(Cl)c2c1 ZINC001164741614 720807496 /nfs/dbraw/zinc/80/74/96/720807496.db2.gz BKKVWIVNGRVMKD-HOTGVXAUSA-N 1 0 420.904 3.200 20 30 HGEDRO N#Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc2ccccc12 ZINC001164748991 720846714 /nfs/dbraw/zinc/84/67/14/720846714.db2.gz VOQHBXGOAVJPPJ-SXWKCWPCSA-N 1 0 413.529 3.077 20 30 HGEDRO Cc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1C#N ZINC001164755368 720884873 /nfs/dbraw/zinc/88/48/73/720884873.db2.gz LMSUKMYCDCFAEI-NOZRDPDXSA-N 1 0 417.557 3.412 20 30 HGEDRO Cc1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1C#N ZINC001164754911 720887650 /nfs/dbraw/zinc/88/76/50/720887650.db2.gz JRDPHSXHQWIKHK-DHLKQENFSA-N 1 0 417.557 3.412 20 30 HGEDRO Cc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ccc1C#N ZINC001164755396 720897304 /nfs/dbraw/zinc/89/73/04/720897304.db2.gz LVAHYNGSBSSAQD-NOZRDPDXSA-N 1 0 417.557 3.412 20 30 HGEDRO N#CCc1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164750672 720898688 /nfs/dbraw/zinc/89/86/88/720898688.db2.gz BOYXZYHMJNNMRM-ILBGXUMGSA-N 1 0 417.557 3.298 20 30 HGEDRO N#Cc1ccc(C(F)(F)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1Cl ZINC001164867556 721049040 /nfs/dbraw/zinc/04/90/40/721049040.db2.gz JPTAKDXVFVPIEC-IRXDYDNUSA-N 1 0 419.863 3.026 20 30 HGEDRO Cc1c(Cl)c(Cl)nc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c1C#N ZINC001164766665 721093124 /nfs/dbraw/zinc/09/31/24/721093124.db2.gz LIJNNXANQKAQMB-GJZGRUSLSA-N 1 0 405.333 3.260 20 30 HGEDRO N#Cc1c(Cl)cc(Cl)nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164872502 721179750 /nfs/dbraw/zinc/17/97/50/721179750.db2.gz HIIOXEBDLYMSPY-CABCVRRESA-N 1 0 404.301 3.135 20 30 HGEDRO C[Si](C)(C)C#Cc1ccnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164875334 721183679 /nfs/dbraw/zinc/18/36/79/721183679.db2.gz KUQXBABMPWSJCE-YADHBBJMSA-N 1 0 406.606 3.185 20 30 HGEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc5c(cc4C#N)CCCC5(C)C)C[C@H]3C2)cn1 ZINC001164765101 721242054 /nfs/dbraw/zinc/24/20/54/721242054.db2.gz QORVHVHEJSVHED-TZIWHRDSSA-N 1 0 404.562 3.259 20 30 HGEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(C#N)cc1Cl)CC2 ZINC001164786829 721451997 /nfs/dbraw/zinc/45/19/97/721451997.db2.gz NTJAFMDRKMRLHY-LJQANCHMSA-N 1 0 418.969 3.341 20 30 HGEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc3c(cc1C#N)CCC3)CC2 ZINC001164790651 721467330 /nfs/dbraw/zinc/46/73/30/721467330.db2.gz TWPJXAZPSKXLBE-QFIPXVFZSA-N 1 0 424.589 3.176 20 30 HGEDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nc2cc(F)c(F)cc2c(Cl)c1C#N ZINC001164931547 721890818 /nfs/dbraw/zinc/89/08/18/721890818.db2.gz DWHNSSLXCLLWGL-MSOLQXFVSA-N 1 0 405.880 3.253 20 30 HGEDRO N#Cc1ccc2ncnc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)c2c1 ZINC001164961911 722053907 /nfs/dbraw/zinc/05/39/07/722053907.db2.gz YGOZKTOQWTZIDW-UHFFFAOYSA-N 1 0 414.513 3.015 20 30 HGEDRO N#CC1(c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2)CCC1 ZINC001164981634 722117771 /nfs/dbraw/zinc/11/77/71/722117771.db2.gz UTBBYFXRHIOYPF-UNMCSNQZSA-N 1 0 403.530 3.149 20 30 HGEDRO COc1cc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)ccc1C#N ZINC001203129075 1126157794 /nfs/dbraw/zinc/15/77/94/1126157794.db2.gz ZJNSCFYAJNMEIO-HXUWFJFHSA-N 1 0 401.304 3.339 20 30 HGEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[NH2+]CC[C@H]4C3)c(Cl)nn2)c1 ZINC001164410096 718865802 /nfs/dbraw/zinc/86/58/02/718865802.db2.gz WPIOTEBCCKQHTR-MAUKXSAKSA-N 1 0 419.863 3.028 20 30 HGEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CCO[C@H]4C[NH2+]CC[C@@H]4C3)c(Cl)nn2)c1 ZINC001164410097 718865877 /nfs/dbraw/zinc/86/58/77/718865877.db2.gz WPIOTEBCCKQHTR-QAPCUYQASA-N 1 0 419.863 3.028 20 30 HGEDRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(C)c(Cl)c(C)c3C#N)CC2)CC1 ZINC001164613773 719022086 /nfs/dbraw/zinc/02/20/86/719022086.db2.gz DELMXAJFHRMPKK-UHFFFAOYSA-N 1 0 404.942 3.467 20 30 HGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc(C#N)c(Cl)n1)C2 ZINC001164813107 720073945 /nfs/dbraw/zinc/07/39/45/720073945.db2.gz SOJUOIVCYXYBFH-QFBILLFUSA-N 1 0 410.896 3.336 20 30 HGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)nc(C#N)c1)C2 ZINC001164813789 720112601 /nfs/dbraw/zinc/11/26/01/720112601.db2.gz QQDPCXKQGXDKPS-APWZRJJASA-N 1 0 410.896 3.336 20 30 HGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)c(C#N)c1)C2 ZINC001164806938 720119178 /nfs/dbraw/zinc/11/91/78/720119178.db2.gz AACUULGGTSGMCD-IEBWSBKVSA-N 1 0 410.896 3.336 20 30 HGEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)cc(Cl)c2C#N)CC1 ZINC001164827391 720351847 /nfs/dbraw/zinc/35/18/47/720351847.db2.gz LHKKBINXGUUUSF-IRXDYDNUSA-N 1 0 422.360 3.172 20 30 HGEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)c(F)cc3C#N)CC[C@@H]21 ZINC001164834691 720508553 /nfs/dbraw/zinc/50/85/53/720508553.db2.gz HDLRSGHRUAIJMI-BQFCYCMXSA-N 1 0 402.905 3.320 20 30 HGEDRO CSc1nc(-c2ccccc2)nc(N2Cc3nccn3C[C@H](C[NH+](C)C)C2)c1C#N ZINC001164730542 720518890 /nfs/dbraw/zinc/51/88/90/720518890.db2.gz RKXWKXZPXUKOAC-INIZCTEOSA-N 1 0 419.558 3.132 20 30 HGEDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2ccc(COc3ccc(CC#N)cc3)cn2)C1 ZINC001164735234 720526122 /nfs/dbraw/zinc/52/61/22/720526122.db2.gz WUKOANOLELMGFH-OAQYLSRUSA-N 1 0 416.529 3.121 20 30 HGEDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2cnc(Cl)nc2Oc2ccc(C#N)cc2)C1 ZINC001164734707 720533324 /nfs/dbraw/zinc/53/33/24/720533324.db2.gz KQWORFDQGQOEDC-INIZCTEOSA-N 1 0 423.908 3.188 20 30 HGEDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2cnc(Cl)nc2Oc2cccc(C#N)c2)C1 ZINC001164735551 720533390 /nfs/dbraw/zinc/53/33/90/720533390.db2.gz PLCRRMHUBVJCNE-INIZCTEOSA-N 1 0 423.908 3.188 20 30 HGEDRO Cc1ccc2nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c(C#N)c(Cl)c2c1 ZINC001164741623 720807350 /nfs/dbraw/zinc/80/73/50/720807350.db2.gz BKKVWIVNGRVMKD-JKSUJKDBSA-N 1 0 420.904 3.200 20 30 HGEDRO Cc1ccc2nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c(C#N)c(Cl)c2c1 ZINC001164741610 720807563 /nfs/dbraw/zinc/80/75/63/720807563.db2.gz BKKVWIVNGRVMKD-CVEARBPZSA-N 1 0 420.904 3.200 20 30 HGEDRO CC(C)c1ccc(C#N)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164751232 720813808 /nfs/dbraw/zinc/81/38/08/720813808.db2.gz XORVWJAHUYXYME-KCZVDYSFSA-N 1 0 405.550 3.048 20 30 HGEDRO N#Cc1ccc2ccnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164737435 720824089 /nfs/dbraw/zinc/82/40/89/720824089.db2.gz BEVNBWSCDHTMIZ-MQSCRBSSSA-N 1 0 413.529 3.077 20 30 HGEDRO N#Cc1cccnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164750419 720871700 /nfs/dbraw/zinc/87/17/00/720871700.db2.gz JBKAEDVUQXRIFH-LADGPHEKSA-N 1 0 403.530 3.103 20 30 HGEDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc4[nH]c(C#N)cc4n3)C2)C1 ZINC001164780256 721364208 /nfs/dbraw/zinc/36/42/08/721364208.db2.gz DVKAGOVGCRDXDF-QHCPKHFHSA-N 1 0 420.517 3.158 20 30 HGEDRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1cc(F)c(C#N)cc1-c1ccnc(Cl)n1 ZINC001164925994 721865675 /nfs/dbraw/zinc/86/56/75/721865675.db2.gz PNFRDROHMGOPQM-RTBURBONSA-N 1 0 414.916 3.022 20 30 HGEDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1cnc(Cl)nc1Oc1ccccc1C#N ZINC001164929794 721888663 /nfs/dbraw/zinc/88/86/63/721888663.db2.gz CHBDFGDEHOKYQH-DLBZAZTESA-N 1 0 412.925 3.009 20 30 HGEDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(C#N)ccc4[N+](=O)[O-])CC3)C2)cc1 ZINC001164940544 721926086 /nfs/dbraw/zinc/92/60/86/721926086.db2.gz SXIRWHFCZINATE-UHFFFAOYSA-N 1 0 407.474 3.041 20 30 HGEDRO N#Cc1ccccc1Oc1nc(Cl)ncc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967985 722077931 /nfs/dbraw/zinc/07/79/31/722077931.db2.gz NWFPHDUDCQPCPY-CALCHBBNSA-N 1 0 411.893 3.093 20 30 HGEDRO N#Cc1cc(Cl)c(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164977326 722118581 /nfs/dbraw/zinc/11/85/81/722118581.db2.gz MNKXDUKZMFSQDB-YJBOKZPZSA-N 1 0 418.328 3.382 20 30 HGEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[NH2+]CCO[C@@H]4C3)cnc2Cl)c1 ZINC001164392002 718826638 /nfs/dbraw/zinc/82/66/38/718826638.db2.gz YWLMECJZVJAHBA-ZWKOTPCHSA-N 1 0 404.848 3.386 20 30 HGEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[NH2+]CC[C@H]4C3)c(Cl)nn2)cc1 ZINC001164407001 718865580 /nfs/dbraw/zinc/86/55/80/718865580.db2.gz IGAAQJIZJWWDPJ-MAUKXSAKSA-N 1 0 419.863 3.028 20 30 HGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccnc(Cl)c1C#N)C2 ZINC001164810343 720079438 /nfs/dbraw/zinc/07/94/38/720079438.db2.gz KWKIIHVTYUANKR-HNAYVOBHSA-N 1 0 410.896 3.336 20 30 HGEDRO C=CCOc1cc(C)nc(N2CCC3(C[C@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164719525 720120317 /nfs/dbraw/zinc/12/03/17/720120317.db2.gz YEGIHHKRZNIEDP-OAQYLSRUSA-N 1 0 423.561 3.252 20 30 HGEDRO N#Cc1cc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc2ccc([N+](=O)[O-])cc12 ZINC001164732040 720476219 /nfs/dbraw/zinc/47/62/19/720476219.db2.gz YHSINKLZXYXSDT-SFTDATJTSA-N 1 0 400.442 3.263 20 30 HGEDRO Cc1ccc(C#N)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755243 720878463 /nfs/dbraw/zinc/87/84/63/720878463.db2.gz VHOQLHMKHZWDSX-ILBGXUMGSA-N 1 0 417.557 3.412 20 30 HGEDRO Cc1cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1C#N ZINC001164755370 720885069 /nfs/dbraw/zinc/88/50/69/720885069.db2.gz LMSUKMYCDCFAEI-ZCYQVOJMSA-N 1 0 417.557 3.412 20 30 HGEDRO Cc1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1C#N ZINC001164754915 720887753 /nfs/dbraw/zinc/88/77/53/720887753.db2.gz JRDPHSXHQWIKHK-RCZVLFRGSA-N 1 0 417.557 3.412 20 30 HGEDRO N#Cc1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1F ZINC001164754045 720889625 /nfs/dbraw/zinc/88/96/25/720889625.db2.gz INOGIXQPPFALGH-QPPBQGQZSA-N 1 0 421.520 3.242 20 30 HGEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc4cc(F)ccc4c(Cl)c3C#N)CC[C@@H]2C1 ZINC001164862092 720890707 /nfs/dbraw/zinc/89/07/07/720890707.db2.gz QLBVQOCKTMKNMS-AUUYWEPGSA-N 1 0 418.900 3.072 20 30 HGEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc4cc(F)ccc4c(Cl)c3C#N)CC[C@H]2C1 ZINC001164862093 720890908 /nfs/dbraw/zinc/89/09/08/720890908.db2.gz QLBVQOCKTMKNMS-IFXJQAMLSA-N 1 0 418.900 3.072 20 30 HGEDRO N#Cc1c(Cl)nccc1C(F)(F)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867041 721054489 /nfs/dbraw/zinc/05/44/89/721054489.db2.gz HCHIVZAKBPSYSG-HZPDHXFCSA-N 1 0 419.863 3.026 20 30 HGEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(-c5ccc(F)cc5)ccc4C#N)C[C@H]3C2)cn1 ZINC001164762911 721082116 /nfs/dbraw/zinc/08/21/16/721082116.db2.gz FMCGLQJQUMNRMT-NHCUHLMSSA-N 1 0 416.504 3.451 20 30 HGEDRO N#Cc1cc(Cl)nc(C(F)(F)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164865593 721095732 /nfs/dbraw/zinc/09/57/32/721095732.db2.gz NIQZXBFMQDFYSG-SJORKVTESA-N 1 0 419.863 3.026 20 30 HGEDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc4c(C#N)c[nH]c4n3)C2)C1 ZINC001164779360 721353241 /nfs/dbraw/zinc/35/32/41/721353241.db2.gz SOCVYTCCJZHVMM-QHCPKHFHSA-N 1 0 420.517 3.158 20 30 HGEDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(C#N)c(Cl)cc4Cl)C3)O2)CC1 ZINC001164897231 721444724 /nfs/dbraw/zinc/44/47/24/721444724.db2.gz STYYUXRPPOXTDY-FOIQADDNSA-N 1 0 424.376 3.025 20 30 HGEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3c(C#N)c[nH]c3n1)CC2 ZINC001164784833 721461414 /nfs/dbraw/zinc/46/14/14/721461414.db2.gz KLAFTTCTBNJAOP-HXUWFJFHSA-N 1 0 423.561 3.168 20 30 HGEDRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1cc(F)c(C#N)cc1-c1ccnc(Cl)n1 ZINC001164925993 721865645 /nfs/dbraw/zinc/86/56/45/721865645.db2.gz PNFRDROHMGOPQM-RBUKOAKNSA-N 1 0 414.916 3.022 20 30 HGEDRO N#CCc1ccc(OCc2ccc(N3CC[NH+](CCc4ccccn4)CC3)nc2)cc1 ZINC001165055572 722017859 /nfs/dbraw/zinc/01/78/59/722017859.db2.gz QBDYNXBLCKWYQT-UHFFFAOYSA-N 1 0 413.525 3.486 20 30 HGEDRO N#Cc1c2c(cnc1N1CCC3(CC1)COCC[N@H+](Cc1ccncc1)C3)CCCC2 ZINC001164966326 722062503 /nfs/dbraw/zinc/06/25/03/722062503.db2.gz QXMFBTVIQNCCQY-UHFFFAOYSA-N 1 0 417.557 3.346 20 30 HGEDRO CSc1nc(-c2ccccc2)nc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c1C#N ZINC001164967744 722073444 /nfs/dbraw/zinc/07/34/44/722073444.db2.gz URJIAXHQWAEGIJ-HDICACEKSA-N 1 0 407.543 3.037 20 30 HGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(C#N)cc(Cl)n1)C2 ZINC001164811872 720122851 /nfs/dbraw/zinc/12/28/51/720122851.db2.gz NVAOLOWETCRJCC-APWZRJJASA-N 1 0 410.896 3.336 20 30 HGEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(C#C[Si](C)(C)C)ccn2)CC1 ZINC001164823546 720351990 /nfs/dbraw/zinc/35/19/90/720351990.db2.gz GXFFFCQDCKREBD-YADHBBJMSA-N 1 0 424.665 3.222 20 30 HGEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164838021 720739040 /nfs/dbraw/zinc/73/90/40/720739040.db2.gz PUVFSCONDLXUFY-UHFFFAOYSA-N 1 0 406.868 3.400 20 30 HGEDRO Cc1cccc2nc(Cl)c(C#N)c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164742237 720807413 /nfs/dbraw/zinc/80/74/13/720807413.db2.gz COVILXZDGHZRJN-HZPDHXFCSA-N 1 0 420.904 3.200 20 30 HGEDRO Cc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1C#N ZINC001164755367 720885030 /nfs/dbraw/zinc/88/50/30/720885030.db2.gz LMSUKMYCDCFAEI-ILBGXUMGSA-N 1 0 417.557 3.412 20 30 HGEDRO Cc1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1C#N ZINC001164754921 720887523 /nfs/dbraw/zinc/88/75/23/720887523.db2.gz JRDPHSXHQWIKHK-WIOPSUGQSA-N 1 0 417.557 3.412 20 30 HGEDRO N#Cc1c(Cl)nccc1C(F)(F)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867042 721054859 /nfs/dbraw/zinc/05/48/59/721054859.db2.gz HCHIVZAKBPSYSG-JKSUJKDBSA-N 1 0 419.863 3.026 20 30 HGEDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)c(Cl)cc4C#N)C3)O2)CC1 ZINC001164892956 721411744 /nfs/dbraw/zinc/41/17/44/721411744.db2.gz ZKJDFRFKAFECPZ-JXFKEZNVSA-N 1 0 424.376 3.025 20 30 HGEDRO N#Cc1cnc(Cl)nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904884 721693496 /nfs/dbraw/zinc/69/34/96/721693496.db2.gz HLYVZFIEVIPVRK-SFHVURJKSA-N 1 0 404.852 3.134 20 30 HGEDRO Cc1cnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(C=NO)c1 ZINC001164907719 721719402 /nfs/dbraw/zinc/71/94/02/721719402.db2.gz SVZJMMKRDDCJBN-FQEVSTJZSA-N 1 0 401.461 3.331 20 30 HGEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(C#N)c(C#N)nc3Cl)C[C@H]21 ZINC001165029604 721812221 /nfs/dbraw/zinc/81/22/21/721812221.db2.gz ZUDRRVNRFZEEFF-IDHHARJASA-N 1 0 407.909 3.005 20 30 HGEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(C#N)c(C#N)nc3Cl)C[C@@H]21 ZINC001165029612 721812429 /nfs/dbraw/zinc/81/24/29/721812429.db2.gz ZUDRRVNRFZEEFF-URLQWDBASA-N 1 0 407.909 3.005 20 30 HGEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc(Cl)nc2C#N)CC1 ZINC001165019254 721839055 /nfs/dbraw/zinc/83/90/55/721839055.db2.gz BPJBKJXPRXFROC-UHFFFAOYSA-N 1 0 401.898 3.120 20 30 HGEDRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1cc(F)c(C#N)cc1-c1ccnc(Cl)n1 ZINC001164925992 721865762 /nfs/dbraw/zinc/86/57/62/721865762.db2.gz PNFRDROHMGOPQM-OALUTQOASA-N 1 0 414.916 3.022 20 30 HGEDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1cnc(Cl)nc1Oc1ccc(C#N)cc1 ZINC001164934373 721888720 /nfs/dbraw/zinc/88/87/20/721888720.db2.gz QWMPRWFLXNWAKF-MSOLQXFVSA-N 1 0 412.925 3.009 20 30 HGEDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1cnc(Cl)nc1Oc1ccc(C#N)cc1 ZINC001164934374 721888789 /nfs/dbraw/zinc/88/87/89/721888789.db2.gz QWMPRWFLXNWAKF-QZTJIDSGSA-N 1 0 412.925 3.009 20 30 HGEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)cc(Cl)c2C#N)CC1 ZINC001164827389 720351392 /nfs/dbraw/zinc/35/13/92/720351392.db2.gz LHKKBINXGUUUSF-IAGOWNOFSA-N 1 0 422.360 3.172 20 30 HGEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164724511 720360480 /nfs/dbraw/zinc/36/04/80/720360480.db2.gz KKZSFLODWGHWPB-ZWKOTPCHSA-N 1 0 411.893 3.032 20 30 HGEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164724507 720361528 /nfs/dbraw/zinc/36/15/28/720361528.db2.gz KKZSFLODWGHWPB-QZTJIDSGSA-N 1 0 411.893 3.032 20 30 HGEDRO CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164735334 720414156 /nfs/dbraw/zinc/41/41/56/720414156.db2.gz WHPBEMLGXNKWCK-UXHICEINSA-N 1 0 404.518 3.186 20 30 HGEDRO N#Cc1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164747192 720867411 /nfs/dbraw/zinc/86/74/11/720867411.db2.gz AJLCUAGPMUBTCB-VWNXMTODSA-N 1 0 403.530 3.103 20 30 HGEDRO Cc1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1C#N ZINC001164751481 720874724 /nfs/dbraw/zinc/87/47/24/720874724.db2.gz KJEWZFKDDTUIJL-WIOPSUGQSA-N 1 0 417.557 3.412 20 30 HGEDRO N#Cc1cc(F)cnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755523 720877097 /nfs/dbraw/zinc/87/70/97/720877097.db2.gz YGTRPYWACBDGLW-QPPBQGQZSA-N 1 0 421.520 3.242 20 30 HGEDRO Cc1c(Cl)c(Cl)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1C#N ZINC001164869506 721062328 /nfs/dbraw/zinc/06/23/28/721062328.db2.gz TWJDVYBNRDWQRI-JKSUJKDBSA-N 1 0 418.328 3.443 20 30 HGEDRO N#Cc1cc(C(F)(F)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)cnc1Cl ZINC001164863548 721091734 /nfs/dbraw/zinc/09/17/34/721091734.db2.gz CUSLJKNUXBFQTO-QZTJIDSGSA-N 1 0 419.863 3.026 20 30 HGEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866159 721120646 /nfs/dbraw/zinc/12/06/46/721120646.db2.gz RMQZNDIXSDOYSA-IAGOWNOFSA-N 1 0 419.863 3.026 20 30 HGEDRO Cc1cnc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c(C#C[Si](C)(C)C)c1 ZINC001164771508 721175396 /nfs/dbraw/zinc/17/53/96/721175396.db2.gz QSYNQMHTVKIAQF-VXKWHMMOSA-N 1 0 407.638 3.311 20 30 HGEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(-c5cccs5)ccc4C#N)C[C@H]3C2)cn1 ZINC001164761189 721205740 /nfs/dbraw/zinc/20/57/40/721205740.db2.gz ADIRLVDIZPZKKI-RTBURBONSA-N 1 0 404.543 3.374 20 30 HGEDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc4[nH]c(C#N)cc4n3)C2)C1 ZINC001164780255 721364013 /nfs/dbraw/zinc/36/40/13/721364013.db2.gz DVKAGOVGCRDXDF-HSZRJFAPSA-N 1 0 420.517 3.158 20 30 HGEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3[nH]c(C#N)cc3n1)CC2 ZINC001164788832 721465112 /nfs/dbraw/zinc/46/51/12/721465112.db2.gz LQPJFFQHDKLXCZ-FQEVSTJZSA-N 1 0 423.561 3.168 20 30 HGEDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cc(Cl)nc(Cl)c1C#N ZINC001164932652 721849428 /nfs/dbraw/zinc/84/94/28/721849428.db2.gz YZNMSVXAUYTSJW-UONOGXRCSA-N 1 0 404.292 3.020 20 30 HGEDRO C=CCOC[C@@H]1CCC[C@]12CN(c1cccc(OCC[NH+]3CCCC3)n1)CCO2 ZINC001164978815 722168588 /nfs/dbraw/zinc/16/85/88/722168588.db2.gz SIGJVAMYKKUOCK-REWPJTCUSA-N 1 0 401.551 3.134 20 30 HGEDRO CC(C)NC(=O)c1cnn2c1C[C@H](C[NH2+]Cc1cc(Cl)c3c(c1)OCCO3)CC2 ZINC000328606944 569418774 /nfs/dbraw/zinc/41/87/74/569418774.db2.gz UDADVLJLUYVARQ-CQSZACIVSA-N 1 0 418.925 3.373 20 30 HGEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@@H]4[NH2+]CCO[C@H]4C3)cnc2Cl)c1 ZINC001164392001 718826740 /nfs/dbraw/zinc/82/67/40/718826740.db2.gz YWLMECJZVJAHBA-ROUUACIJSA-N 1 0 404.848 3.386 20 30 HGEDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc(C#N)cn3)CC2)c2ccccc21 ZINC001164681416 719653858 /nfs/dbraw/zinc/65/38/58/719653858.db2.gz OFICRBNJSFVHCY-FQEVSTJZSA-N 1 0 417.557 3.047 20 30 HGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc(Cl)nc1C#N)C2 ZINC001164812216 720098497 /nfs/dbraw/zinc/09/84/97/720098497.db2.gz PWLPRVYBBCFIFN-KXBFYZLASA-N 1 0 410.896 3.336 20 30 HGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)ncc1C#N)C2 ZINC001164808122 720121439 /nfs/dbraw/zinc/12/14/39/720121439.db2.gz DPVFOYTXZLNFPV-VQIMIIECSA-N 1 0 410.896 3.336 20 30 HGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(C#N)cc(Cl)n1)C2 ZINC001164812004 720123659 /nfs/dbraw/zinc/12/36/59/720123659.db2.gz NVAOLOWETCRJCC-QFBILLFUSA-N 1 0 410.896 3.336 20 30 HGEDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(C#C[Si](C)(C)C)ccn1)CCC2 ZINC001164818620 720244482 /nfs/dbraw/zinc/24/44/82/720244482.db2.gz ZZZCHCOKNGVCQT-UHFFFAOYSA-N 1 0 423.637 3.118 20 30 HGEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)c(Cl)cc2C#N)CC1 ZINC001164827705 720319167 /nfs/dbraw/zinc/31/91/67/720319167.db2.gz HVCDCFPRWWTZRY-DLBZAZTESA-N 1 0 422.360 3.172 20 30 HGEDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2cc(Cl)nc(Cl)c2C#N)C1 ZINC001164727206 720506783 /nfs/dbraw/zinc/50/67/83/720506783.db2.gz BOUATHNHRNPVIO-NSHDSACASA-N 1 0 415.275 3.199 20 30 HGEDRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)c(F)cc3C#N)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834696 720508508 /nfs/dbraw/zinc/50/85/08/720508508.db2.gz HDLRSGHRUAIJMI-XYJFISCASA-N 1 0 402.905 3.320 20 30 HGEDRO CC(C)[N@H+]1[C@@H]2CCN(c3nc4c(cc3C#N)CCCC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841616 720603407 /nfs/dbraw/zinc/60/34/07/720603407.db2.gz TYMWXARRAFJMDJ-QNWVGRARSA-N 1 0 404.562 3.406 20 30 HGEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc4c(c3C#N)CCCC4)CC[C@@H]21 ZINC001164837530 720647527 /nfs/dbraw/zinc/64/75/27/720647527.db2.gz CHSGPVKYTVGLET-QTEQDKRBSA-N 1 0 404.562 3.406 20 30 HGEDRO Cc1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1C#N ZINC001164751476 720874769 /nfs/dbraw/zinc/87/47/69/720874769.db2.gz KJEWZFKDDTUIJL-DHLKQENFSA-N 1 0 417.557 3.412 20 30 HGEDRO Cc1ccc(C#N)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755247 720878450 /nfs/dbraw/zinc/87/84/50/720878450.db2.gz VHOQLHMKHZWDSX-UKILVPOCSA-N 1 0 417.557 3.412 20 30 HGEDRO N#Cc1c(Cl)nccc1C(F)(F)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867039 721054229 /nfs/dbraw/zinc/05/42/29/721054229.db2.gz HCHIVZAKBPSYSG-CVEARBPZSA-N 1 0 419.863 3.026 20 30 HGEDRO N#Cc1nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)cc1Cl ZINC001164879876 721175186 /nfs/dbraw/zinc/17/51/86/721175186.db2.gz UYKRXPUINZRGTI-HUUCEWRRSA-N 1 0 404.301 3.135 20 30 HGEDRO CC1(C)CCCc2cc(C#N)c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc21 ZINC001164867022 721188546 /nfs/dbraw/zinc/18/85/46/721188546.db2.gz DMZZLDMCSYRSGB-YADHBBJMSA-N 1 0 417.557 3.442 20 30 HGEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(-c5cccs5)ccc4C#N)C[C@H]3C2)cn1 ZINC001164761187 721206247 /nfs/dbraw/zinc/20/62/47/721206247.db2.gz ADIRLVDIZPZKKI-RBUKOAKNSA-N 1 0 404.543 3.374 20 30 HGEDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3[nH]ccc4ncc(C#N)c3-4)C2)C1 ZINC001164782955 721362763 /nfs/dbraw/zinc/36/27/63/721362763.db2.gz OBHFAFZYQXBVCT-HSZRJFAPSA-N 1 0 420.517 3.158 20 30 HGEDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3[nH]ccc4ncc(C#N)c3-4)C2)C1 ZINC001164782956 721362941 /nfs/dbraw/zinc/36/29/41/721362941.db2.gz OBHFAFZYQXBVCT-QHCPKHFHSA-N 1 0 420.517 3.158 20 30 HGEDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C3(C#N)CCC3)cn2)[C@@H]2CCCO[C@@H]12 ZINC001164809885 721553541 /nfs/dbraw/zinc/55/35/41/721553541.db2.gz XUWZEEMPANKRNI-MQSCRBSSSA-N 1 0 403.530 3.290 20 30 HGEDRO N#Cc1ncc(Cl)nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906581 721693123 /nfs/dbraw/zinc/69/31/23/721693123.db2.gz NKPSNUUYFZPCBT-SFHVURJKSA-N 1 0 404.852 3.134 20 30 HGEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4c(cc3C#N)COCC4)C[C@H]21 ZINC001165021491 721828095 /nfs/dbraw/zinc/82/80/95/721828095.db2.gz FWEKXLFXEMIKNI-AMHTUMDSSA-N 1 0 403.530 3.158 20 30 HGEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[C@@H]4[C@H]3CCN4CC[NH+](C)C)c12 ZINC001164932421 721891012 /nfs/dbraw/zinc/89/10/12/721891012.db2.gz HQINBGIEXOLMEU-QZTJIDSGSA-N 1 0 401.917 3.422 20 30 HGEDRO CCCc1cc(C#N)c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)nc1Cl ZINC001165002850 722254661 /nfs/dbraw/zinc/25/46/61/722254661.db2.gz UMBWPDGNXJURJD-UHFFFAOYSA-N 1 0 416.957 3.244 20 30 HGEDRO CC(C)NC(=O)c1cnn2c1C[C@@H](C[NH2+]Cc1cc(Cl)c3c(c1)OCCO3)CC2 ZINC000328606943 569418733 /nfs/dbraw/zinc/41/87/33/569418733.db2.gz UDADVLJLUYVARQ-AWEZNQCLSA-N 1 0 418.925 3.373 20 30 HGEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[NH2+]CCO[C@H]4C3)cnc2Cl)cc1 ZINC001164389402 718826699 /nfs/dbraw/zinc/82/66/99/718826699.db2.gz IFYPIUPDPHPHJR-ROUUACIJSA-N 1 0 404.848 3.386 20 30 HGEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)N3CCN4CC[NH2+]C[C@@H]4C3)cc2c1Cl ZINC001164400114 718844469 /nfs/dbraw/zinc/84/44/69/718844469.db2.gz PYHHPJZRCPLZHE-GFCCVEGCSA-N 1 0 412.271 3.052 20 30 HGEDRO Cc1ccc([C@H](C#N)c2ccc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)nn2)cc1 ZINC001164685172 719604556 /nfs/dbraw/zinc/60/45/56/719604556.db2.gz SHDFBZPWNWKWEU-FQEVSTJZSA-N 1 0 415.545 3.112 20 30 HGEDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc3cc(F)ccc3c(Cl)c1C#N)CC2 ZINC001164691113 719756420 /nfs/dbraw/zinc/75/64/20/719756420.db2.gz LQUHURMKVXLZND-UHFFFAOYSA-N 1 0 415.900 3.080 20 30 HGEDRO COC(=O)c1cc(C#N)cnc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164691527 719815776 /nfs/dbraw/zinc/81/57/76/719815776.db2.gz GCGBJOFKSIOFDQ-UHFFFAOYSA-N 1 0 411.531 3.140 20 30 HGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1c(C#N)cnc3cnc(Cl)cc31)C2 ZINC001164812173 720084224 /nfs/dbraw/zinc/08/42/24/720084224.db2.gz PTRYMVWJGVQPAV-VGOFRKELSA-N 1 0 411.937 3.340 20 30 HGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc(Cl)ccc1C#N)C2 ZINC001164812025 720121874 /nfs/dbraw/zinc/12/18/74/720121874.db2.gz NYTWLLXGVTYEIH-VQIMIIECSA-N 1 0 410.896 3.336 20 30 HGEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(C#N)c(Cl)cc2Cl)CC1 ZINC001164828356 720349249 /nfs/dbraw/zinc/34/92/49/720349249.db2.gz OKQALYMBFBRYBX-ROUUACIJSA-N 1 0 422.360 3.172 20 30 HGEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc3c(cc1C#N)COCC3)CC2 ZINC001164837701 720720804 /nfs/dbraw/zinc/72/08/04/720720804.db2.gz GXGKVQUPYFIDKQ-JOCHJYFZSA-N 1 0 418.541 3.286 20 30 HGEDRO N#Cc1ccc2ccnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164737436 720824182 /nfs/dbraw/zinc/82/41/82/720824182.db2.gz BEVNBWSCDHTMIZ-QNWVGRARSA-N 1 0 413.529 3.077 20 30 HGEDRO Cc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(C#N)c1 ZINC001164749993 720873934 /nfs/dbraw/zinc/87/39/34/720873934.db2.gz IFDDPASPJGQGFI-ZCYQVOJMSA-N 1 0 417.557 3.412 20 30 HGEDRO N#Cc1cc(F)cnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755525 720877364 /nfs/dbraw/zinc/87/73/64/720877364.db2.gz YGTRPYWACBDGLW-XUZZJYLKSA-N 1 0 421.520 3.242 20 30 HGEDRO Cc1c(Cl)c(Cl)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1C#N ZINC001164869503 721062553 /nfs/dbraw/zinc/06/25/53/721062553.db2.gz TWJDVYBNRDWQRI-HZPDHXFCSA-N 1 0 418.328 3.443 20 30 HGEDRO N#Cc1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)cc(Cl)n1 ZINC001164867246 721084364 /nfs/dbraw/zinc/08/43/64/721084364.db2.gz XMAHTCXMILXJEQ-MSOLQXFVSA-N 1 0 419.863 3.026 20 30 HGEDRO CCCc1cc(C#N)c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1Cl ZINC001164863678 721100719 /nfs/dbraw/zinc/10/07/19/721100719.db2.gz CZEDVKRIRKFCLC-VQTJNVASSA-N 1 0 411.937 3.434 20 30 HGEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc5c(cc4C#N)CCCC5(C)C)C[C@@H]3C2)cn1 ZINC001164765084 721241638 /nfs/dbraw/zinc/24/16/38/721241638.db2.gz QORVHVHEJSVHED-FPOVZHCZSA-N 1 0 404.562 3.259 20 30 HGEDRO COC(=O)c1cc(C#N)cnc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164795258 721502794 /nfs/dbraw/zinc/50/27/94/721502794.db2.gz IWCRZRYLYAYRFJ-UHFFFAOYSA-N 1 0 405.502 3.016 20 30 HGEDRO CSc1nc(Cl)c(C#N)c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164898087 721508919 /nfs/dbraw/zinc/50/89/19/721508919.db2.gz HQNKCZZFKDXCTA-DZGCQCFKSA-N 1 0 419.913 3.205 20 30 HGEDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C3(C#N)CCC3)cn2)[C@H]2CCCO[C@H]12 ZINC001164809887 721553331 /nfs/dbraw/zinc/55/33/31/721553331.db2.gz XUWZEEMPANKRNI-XJUOHMSHSA-N 1 0 403.530 3.290 20 30 HGEDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cc(Cl)nc(Cl)c1C#N ZINC001164932653 721849565 /nfs/dbraw/zinc/84/95/65/721849565.db2.gz YZNMSVXAUYTSJW-ZIAGYGMSSA-N 1 0 404.292 3.020 20 30 HGEDRO C[Si](C)(C)C#Cc1ccnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164973032 722154075 /nfs/dbraw/zinc/15/40/75/722154075.db2.gz KHFLGPGSWGBEBS-DHIUTWEWSA-N 1 0 420.633 3.433 20 30 HGEDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(Br)cc2C#N)cc1OC ZINC001308116652 1126163129 /nfs/dbraw/zinc/16/31/29/1126163129.db2.gz BYQIZIFYXZPTSG-FQEVSTJZSA-N 1 0 419.319 3.421 20 30 HGEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[NH2+]CCO[C@@H]4C3)cnc2Cl)c1 ZINC001164392000 718826469 /nfs/dbraw/zinc/82/64/69/718826469.db2.gz YWLMECJZVJAHBA-QZTJIDSGSA-N 1 0 404.848 3.386 20 30 HGEDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncccc3C#N)CC2)c2ccccc21 ZINC001164681805 719657711 /nfs/dbraw/zinc/65/77/11/719657711.db2.gz RCIGKMZETLBXAB-FQEVSTJZSA-N 1 0 417.557 3.047 20 30 HGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1c(C#N)cnc3cnc(Cl)cc31)C2 ZINC001164812168 720083055 /nfs/dbraw/zinc/08/30/55/720083055.db2.gz PTRYMVWJGVQPAV-HTAPYJJXSA-N 1 0 411.937 3.340 20 30 HGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc(Cl)nc1C#N)C2 ZINC001164812211 720098708 /nfs/dbraw/zinc/09/87/08/720098708.db2.gz PWLPRVYBBCFIFN-BEFAXECRSA-N 1 0 410.896 3.336 20 30 HGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C#N)c3cc([N+](=O)[O-])ccc3n1)C2 ZINC001164812826 720197119 /nfs/dbraw/zinc/19/71/19/720197119.db2.gz MJSUDCYVYPWLQY-JPYJTQIMSA-N 1 0 421.501 3.199 20 30 HGEDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc3cc(F)c(F)cc3c(Cl)c2C#N)C1 ZINC001164735246 720536254 /nfs/dbraw/zinc/53/62/54/720536254.db2.gz NBZQVGLDIDRGCP-LBPRGKRZSA-N 1 0 416.863 3.433 20 30 HGEDRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc4c(c3C#N)CCCC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837531 720648196 /nfs/dbraw/zinc/64/81/96/720648196.db2.gz CHSGPVKYTVGLET-SXWKCWPCSA-N 1 0 404.562 3.406 20 30 HGEDRO N#Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc2ccccc12 ZINC001164748990 720846417 /nfs/dbraw/zinc/84/64/17/720846417.db2.gz VOQHBXGOAVJPPJ-MIZPHKNDSA-N 1 0 413.529 3.077 20 30 HGEDRO N#Cc1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164747188 720867711 /nfs/dbraw/zinc/86/77/11/720867711.db2.gz AJLCUAGPMUBTCB-LADGPHEKSA-N 1 0 403.530 3.103 20 30 HGEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3c(C#N)c(Cl)nc4cccc(C)c43)CC[C@H]2C1 ZINC001164861340 720892975 /nfs/dbraw/zinc/89/29/75/720892975.db2.gz XMLKERSCUBZCBW-QFBILLFUSA-N 1 0 414.937 3.242 20 30 HGEDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc4ccc(C)cc4c(Cl)c3C#N)CC[C@@H]2C1 ZINC001164860968 720893088 /nfs/dbraw/zinc/89/30/88/720893088.db2.gz WRWMZKGGRWMOQX-UZLBHIALSA-N 1 0 414.937 3.242 20 30 HGEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc5ccccc5c(Cl)c4C#N)C[C@@H]3C2)cn1 ZINC001164764925 721191657 /nfs/dbraw/zinc/19/16/57/721191657.db2.gz HDPHGVVAHIERSZ-IRXDYDNUSA-N 1 0 406.921 3.452 20 30 HGEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(-c5cccs5)ccc4C#N)C[C@@H]3C2)cn1 ZINC001164761179 721205866 /nfs/dbraw/zinc/20/58/66/721205866.db2.gz ADIRLVDIZPZKKI-MOPGFXCFSA-N 1 0 404.543 3.374 20 30 HGEDRO Cc1nc(Cl)nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1C#N ZINC001164907325 721706133 /nfs/dbraw/zinc/70/61/33/721706133.db2.gz QYLXJYFTEHRRHJ-LJQANCHMSA-N 1 0 418.879 3.443 20 30 HGEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(C#N)c(C#N)nc3Cl)C[C@H]21 ZINC001165029615 721812466 /nfs/dbraw/zinc/81/24/66/721812466.db2.gz ZUDRRVNRFZEEFF-ZSZQSSIHSA-N 1 0 407.909 3.005 20 30 HGEDRO C=CCNC(=O)c1cccnc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165028315 721823380 /nfs/dbraw/zinc/82/33/80/721823380.db2.gz VLJLBAHMZINOGL-BWAGFHJFSA-N 1 0 405.546 3.129 20 30 HGEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncnc(Cl)c2C#N)CC1 ZINC001165019341 721839513 /nfs/dbraw/zinc/83/95/13/721839513.db2.gz DRXSEYDYQXDOGR-UHFFFAOYSA-N 1 0 401.898 3.120 20 30 HGEDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2C(F)(F)c1cc(Cl)nc(Cl)c1C#N ZINC001164932650 721849603 /nfs/dbraw/zinc/84/96/03/721849603.db2.gz YZNMSVXAUYTSJW-KBPBESRZSA-N 1 0 404.292 3.020 20 30 HGEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)c12 ZINC001164932420 721890944 /nfs/dbraw/zinc/89/09/44/721890944.db2.gz HQINBGIEXOLMEU-MSOLQXFVSA-N 1 0 401.917 3.422 20 30 HGEDRO N#Cc1cccc(Oc2nc(Cl)ncc2N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c1 ZINC001164967693 722077944 /nfs/dbraw/zinc/07/79/44/722077944.db2.gz JJIKPBSIHITQKG-HDICACEKSA-N 1 0 411.893 3.093 20 30 HGEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCC2(CCCC[NH2+]2)CC1 ZINC001164386892 718803387 /nfs/dbraw/zinc/80/33/87/718803387.db2.gz GTWACUCBRIJWHO-UHFFFAOYSA-N 1 0 412.868 3.441 20 30 HGEDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc(C#N)cn3)CC2)c2ccccc21 ZINC001164681417 719653246 /nfs/dbraw/zinc/65/32/46/719653246.db2.gz OFICRBNJSFVHCY-HXUWFJFHSA-N 1 0 417.557 3.047 20 30 HGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccncc3)ccc1C#N)C2 ZINC001164819480 720160314 /nfs/dbraw/zinc/16/03/14/720160314.db2.gz XIRLMQWTHVNFQE-XUZZJYLKSA-N 1 0 403.530 3.200 20 30 HGEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nccc3ccc(C#N)cc32)CC1 ZINC001164825073 720312098 /nfs/dbraw/zinc/31/20/98/720312098.db2.gz SICFCZPLUSSANK-FGZHOGPDSA-N 1 0 403.530 3.018 20 30 HGEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(C#N)c3ccccc3n2)CC1 ZINC001164828756 720337838 /nfs/dbraw/zinc/33/78/38/720337838.db2.gz PTABNZUIQRDEOM-FGZHOGPDSA-N 1 0 403.530 3.018 20 30 HGEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(C#N)c(Cl)cc2Cl)CC1 ZINC001164828357 720349527 /nfs/dbraw/zinc/34/95/27/720349527.db2.gz OKQALYMBFBRYBX-ZWKOTPCHSA-N 1 0 422.360 3.172 20 30 HGEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164724504 720361296 /nfs/dbraw/zinc/36/12/96/720361296.db2.gz KKZSFLODWGHWPB-MSOLQXFVSA-N 1 0 411.893 3.032 20 30 HGEDRO CCc1nc(C#N)c(C#N)nc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164836987 720723887 /nfs/dbraw/zinc/72/38/87/720723887.db2.gz CKRFKOJVRNOWON-IBGZPJMESA-N 1 0 416.529 3.042 20 30 HGEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164837964 720738084 /nfs/dbraw/zinc/73/80/84/720738084.db2.gz PINLHILCIBMDHV-UHFFFAOYSA-N 1 0 406.868 3.400 20 30 HGEDRO N#Cc1ccc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1 ZINC001164747186 720867530 /nfs/dbraw/zinc/86/75/30/720867530.db2.gz AJLCUAGPMUBTCB-ISKFKSNPSA-N 1 0 403.530 3.103 20 30 HGEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(C3(C#N)CCOCC3)cn1)[C@@H]2C ZINC001164863391 720997348 /nfs/dbraw/zinc/99/73/48/720997348.db2.gz UWFUJAHZEGSBRB-GOSISDBHSA-N 1 0 408.550 3.271 20 30 HGEDRO N#Cc1cnc2cnc(Cl)cc2c1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164869200 721059143 /nfs/dbraw/zinc/05/91/43/721059143.db2.gz SEKRXJSPWFLILF-ROUUACIJSA-N 1 0 420.904 3.030 20 30 HGEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867002 721095023 /nfs/dbraw/zinc/09/50/23/721095023.db2.gz WLGUOWYUBNJQHV-DLBZAZTESA-N 1 0 419.863 3.026 20 30 HGEDRO Cc1cnc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c(C#C[Si](C)(C)C)c1 ZINC001164771507 721177419 /nfs/dbraw/zinc/17/74/19/721177419.db2.gz QSYNQMHTVKIAQF-FGZHOGPDSA-N 1 0 407.638 3.311 20 30 HGEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(C#N)c5cc(Cl)ccc5n4)C[C@@H]3C2)cn1 ZINC001164760199 721232306 /nfs/dbraw/zinc/23/23/06/721232306.db2.gz DCBRQNAQZIDXRU-AEFFLSMTSA-N 1 0 406.921 3.452 20 30 HGEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc5c(cc4C#N)CCCC5(C)C)C[C@H]3C2)cn1 ZINC001164765093 721241546 /nfs/dbraw/zinc/24/15/46/721241546.db2.gz QORVHVHEJSVHED-PZJWPPBQSA-N 1 0 404.562 3.259 20 30 HGEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(CC#N)c(C)n1)CC2 ZINC001164787206 721468135 /nfs/dbraw/zinc/46/81/35/721468135.db2.gz DLXYYRXZGJRIBS-JOCHJYFZSA-N 1 0 412.578 3.190 20 30 HGEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nnc(Cl)cc2C#N)CC1 ZINC001165022133 721839325 /nfs/dbraw/zinc/83/93/25/721839325.db2.gz PICRUVVIJITZJF-UHFFFAOYSA-N 1 0 401.898 3.120 20 30 HGEDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1cnc(Cl)nc1Oc1ccccc1C#N ZINC001164929829 721888652 /nfs/dbraw/zinc/88/86/52/721888652.db2.gz CHBDFGDEHOKYQH-SJORKVTESA-N 1 0 412.925 3.009 20 30 HGEDRO N#CCc1cnc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c(Cl)c1 ZINC001164960026 722061632 /nfs/dbraw/zinc/06/16/32/722061632.db2.gz DDZVUVZUGAYZGD-UHFFFAOYSA-N 1 0 411.937 3.315 20 30 HGEDRO C[Si](C)(C)C#Cc1cccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976112 722129868 /nfs/dbraw/zinc/12/98/68/722129868.db2.gz HFLWQHSATPYEOK-XZOQPEGZSA-N 1 0 420.633 3.433 20 30 HGEDRO N#Cc1c(Cl)cc(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971729 722153399 /nfs/dbraw/zinc/15/33/99/722153399.db2.gz DXJOGLGJFBCYGS-CRAIPNDOSA-N 1 0 418.328 3.382 20 30 HGEDRO C[NH+](C)CCOCc1ncn2c1CN(c1cc(C#N)c3cc(Cl)ccc3n1)CCC2 ZINC001165003851 722257588 /nfs/dbraw/zinc/25/75/88/722257588.db2.gz JPAQJXFGZRQDSC-UHFFFAOYSA-N 1 0 424.936 3.445 20 30 HGEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[NH+](CC(C)C)CC1 ZINC001164655010 719334911 /nfs/dbraw/zinc/33/49/11/719334911.db2.gz YQSKLIAXNFIMNA-UHFFFAOYSA-N 1 0 400.857 3.106 20 30 HGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)ncc1C#N)C2 ZINC001164808121 720121656 /nfs/dbraw/zinc/12/16/56/720121656.db2.gz DPVFOYTXZLNFPV-QFBILLFUSA-N 1 0 410.896 3.336 20 30 HGEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)ccc1CC#N)CC2 ZINC001164713570 720145596 /nfs/dbraw/zinc/14/55/96/720145596.db2.gz SDCGWUVDAOYXOJ-QFIPXVFZSA-N 1 0 405.546 3.359 20 30 HGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)cc1C#N)C2 ZINC001164816824 720149494 /nfs/dbraw/zinc/14/94/94/720149494.db2.gz NAESBHIKHKJROE-QFBILLFUSA-N 1 0 410.896 3.336 20 30 HGEDRO Cc1nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(C#N)c(C)c1Cl ZINC001164818666 720294595 /nfs/dbraw/zinc/29/45/95/720294595.db2.gz BEHINHPGHIXKKS-RBUKOAKNSA-N 1 0 415.969 3.135 20 30 HGEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(C#C[Si](C)(C)C)ccn2)CC1 ZINC001164823543 720351466 /nfs/dbraw/zinc/35/14/66/720351466.db2.gz GXFFFCQDCKREBD-FCHUYYIVSA-N 1 0 424.665 3.222 20 30 HGEDRO CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164735335 720414913 /nfs/dbraw/zinc/41/49/13/720414913.db2.gz WHPBEMLGXNKWCK-VQTJNVASSA-N 1 0 404.518 3.186 20 30 HGEDRO N#Cc1cc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)nc2ccc([N+](=O)[O-])cc12 ZINC001164732038 720474924 /nfs/dbraw/zinc/47/49/24/720474924.db2.gz YHSINKLZXYXSDT-RTWAWAEBSA-N 1 0 400.442 3.263 20 30 HGEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(C#N)ccc1[N+](=O)[O-])CC2 ZINC001164842713 720689489 /nfs/dbraw/zinc/68/94/89/720689489.db2.gz MXGKZZZWNXWLJK-LJQANCHMSA-N 1 0 407.474 3.121 20 30 HGEDRO Cc1ccc2nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c(C#N)c(Cl)c2c1 ZINC001164741618 720807273 /nfs/dbraw/zinc/80/72/73/720807273.db2.gz BKKVWIVNGRVMKD-HZPDHXFCSA-N 1 0 420.904 3.200 20 30 HGEDRO N#Cc1c(F)ccnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164758120 720895767 /nfs/dbraw/zinc/89/57/67/720895767.db2.gz WZEOMQARPVBHAU-HYBUGGRVSA-N 1 0 421.520 3.242 20 30 HGEDRO CSc1nc(Cl)c(C#N)c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164863244 720918046 /nfs/dbraw/zinc/91/80/46/720918046.db2.gz XTTIQUUNBQXPPT-GFCCVEGCSA-N 1 0 405.959 3.341 20 30 HGEDRO Cc1cc(C#N)cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164750903 720927670 /nfs/dbraw/zinc/92/76/70/720927670.db2.gz LCFUEXXKIIKEMG-UKILVPOCSA-N 1 0 417.557 3.412 20 30 HGEDRO Cc1cc(C#N)cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164750907 720927696 /nfs/dbraw/zinc/92/76/96/720927696.db2.gz LCFUEXXKIIKEMG-ZCYQVOJMSA-N 1 0 417.557 3.412 20 30 HGEDRO N#Cc1cnc2cnc(Cl)cc2c1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869190 721059126 /nfs/dbraw/zinc/05/91/26/721059126.db2.gz SEKRXJSPWFLILF-MSOLQXFVSA-N 1 0 420.904 3.030 20 30 HGEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(-c5ccc(F)cc5)ccc4C#N)C[C@H]3C2)cn1 ZINC001164762900 721081195 /nfs/dbraw/zinc/08/11/95/721081195.db2.gz FMCGLQJQUMNRMT-LEWJYISDSA-N 1 0 416.504 3.451 20 30 HGEDRO Cc1cnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c(C#C[Si](C)(C)C)c1 ZINC001164878558 721122681 /nfs/dbraw/zinc/12/26/81/721122681.db2.gz QMWZRYPLBLHIRW-PKTZIBPZSA-N 1 0 420.633 3.494 20 30 HGEDRO Cc1cnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c(C#C[Si](C)(C)C)c1 ZINC001164878561 721124186 /nfs/dbraw/zinc/12/41/86/721124186.db2.gz QMWZRYPLBLHIRW-XZOQPEGZSA-N 1 0 420.633 3.494 20 30 HGEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc(Cl)c1C#N)CC2 ZINC001164787608 721454785 /nfs/dbraw/zinc/45/47/85/721454785.db2.gz OVPBXQUFIZIJPK-SFHVURJKSA-N 1 0 418.969 3.341 20 30 HGEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C)c(C)cc1C#N)CC2 ZINC001164787708 721457762 /nfs/dbraw/zinc/45/77/62/721457762.db2.gz RSAWNBHWFFCFKE-QFIPXVFZSA-N 1 0 412.578 3.304 20 30 HGEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(C#N)c(C#N)nc1Cl)CC2 ZINC001164792256 721495522 /nfs/dbraw/zinc/49/55/22/721495522.db2.gz LVKFVUBXZJFEHR-UHFFFAOYSA-N 1 0 407.909 3.149 20 30 HGEDRO COc1nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(F)cc1C#N ZINC001164905726 721721684 /nfs/dbraw/zinc/72/16/84/721721684.db2.gz JCRINKIEBSSFJG-FQEVSTJZSA-N 1 0 417.435 3.234 20 30 HGEDRO C=CCNC(=O)c1cccnc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165021235 721843423 /nfs/dbraw/zinc/84/34/23/721843423.db2.gz IWOHLLZWBSCPQT-UHFFFAOYSA-N 1 0 424.545 3.115 20 30 HGEDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1cnc(Cl)nc1Oc1ccccc1C#N ZINC001164929824 721888627 /nfs/dbraw/zinc/88/86/27/721888627.db2.gz CHBDFGDEHOKYQH-IRXDYDNUSA-N 1 0 412.925 3.009 20 30 HGEDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nc2cc(F)c(F)cc2c(Cl)c1C#N ZINC001164931548 721891026 /nfs/dbraw/zinc/89/10/26/721891026.db2.gz DWHNSSLXCLLWGL-QZTJIDSGSA-N 1 0 405.880 3.253 20 30 HGEDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncc5c(C#N)c[nH]c5n4)CC3)C2)cc1 ZINC001164940723 721928701 /nfs/dbraw/zinc/92/87/01/721928701.db2.gz YUGFLYBQTIXWQA-UHFFFAOYSA-N 1 0 402.502 3.009 20 30 HGEDRO C[Si](C)(C)C#Cc1cccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976110 722129633 /nfs/dbraw/zinc/12/96/33/722129633.db2.gz HFLWQHSATPYEOK-GOTSBHOMSA-N 1 0 420.633 3.433 20 30 HGEDRO N#Cc1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)cc1Cl ZINC001164973820 722152218 /nfs/dbraw/zinc/15/22/18/722152218.db2.gz MHXZWAHLIZIBDY-KXBFYZLASA-N 1 0 418.328 3.382 20 30 HGEDRO N#Cc1c(Cl)cc(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971730 722153430 /nfs/dbraw/zinc/15/34/30/722153430.db2.gz DXJOGLGJFBCYGS-MAUKXSAKSA-N 1 0 418.328 3.382 20 30 HGEDRO C[Si](C)(C)C#Cc1ccnc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164973034 722153870 /nfs/dbraw/zinc/15/38/70/722153870.db2.gz KHFLGPGSWGBEBS-PKTZIBPZSA-N 1 0 420.633 3.433 20 30 HGEDRO C[NH+](C)Cc1ccnc(N2CCC[C@@]3(C2)COCCN(c2cccc(C#N)c2)C3)c1 ZINC001165005626 722259100 /nfs/dbraw/zinc/25/91/00/722259100.db2.gz YNWXYPRSQMOYQE-XMMPIXPASA-N 1 0 405.546 3.138 20 30 HGEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)c(Cl)cc2C#N)CC1 ZINC001164827711 720319225 /nfs/dbraw/zinc/31/92/25/720319225.db2.gz HVCDCFPRWWTZRY-SJORKVTESA-N 1 0 422.360 3.172 20 30 HGEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc(Cl)cc(Cl)c2C#N)CC1 ZINC001164827383 720351401 /nfs/dbraw/zinc/35/14/01/720351401.db2.gz LHKKBINXGUUUSF-DLBZAZTESA-N 1 0 422.360 3.172 20 30 HGEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc4c(cc3C#N)CCCC4)CC[C@@H]21 ZINC001164841613 720601936 /nfs/dbraw/zinc/60/19/36/720601936.db2.gz TYMWXARRAFJMDJ-GIWBLDEGSA-N 1 0 404.562 3.406 20 30 HGEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncnc3[nH]cc(C#N)c31)CC2 ZINC001164841937 720657958 /nfs/dbraw/zinc/65/79/58/720657958.db2.gz RDPMRUHCCKZRJE-IBGZPJMESA-N 1 0 402.502 3.089 20 30 HGEDRO N#Cc1cccnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750430 720871835 /nfs/dbraw/zinc/87/18/35/720871835.db2.gz JBKAEDVUQXRIFH-VWNXMTODSA-N 1 0 403.530 3.103 20 30 HGEDRO Cc1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1C#N ZINC001164754918 720887815 /nfs/dbraw/zinc/88/78/15/720887815.db2.gz JRDPHSXHQWIKHK-RDGATRHJSA-N 1 0 417.557 3.412 20 30 HGEDRO CCCc1cc(C#N)c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1Cl ZINC001164863663 721100547 /nfs/dbraw/zinc/10/05/47/721100547.db2.gz CZEDVKRIRKFCLC-PMACEKPBSA-N 1 0 411.937 3.434 20 30 HGEDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(C#N)c(Cl)cc4Cl)C3)O2)CC1 ZINC001164897235 721444968 /nfs/dbraw/zinc/44/49/68/721444968.db2.gz STYYUXRPPOXTDY-MGPUTAFESA-N 1 0 424.376 3.025 20 30 HGEDRO CCc1nc(C#N)c(C#N)nc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164795573 721503253 /nfs/dbraw/zinc/50/32/53/721503253.db2.gz LNPXKYRATLBCJN-UHFFFAOYSA-N 1 0 401.518 3.058 20 30 HGEDRO N#Cc1c(Cl)ncnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164905454 721693533 /nfs/dbraw/zinc/69/35/33/721693533.db2.gz JJHYELJEBKZXNL-SFHVURJKSA-N 1 0 404.852 3.134 20 30 HGEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4c(cc3C#N)COCC4)C[C@@H]21 ZINC001165021492 721828266 /nfs/dbraw/zinc/82/82/66/721828266.db2.gz FWEKXLFXEMIKNI-FRGLQRNOSA-N 1 0 403.530 3.158 20 30 HGEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)nc(C)c2C#N)CC1 ZINC001165022597 721841166 /nfs/dbraw/zinc/84/11/66/721841166.db2.gz QAJJZNLEPHHQJX-UHFFFAOYSA-N 1 0 415.925 3.428 20 30 HGEDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1cnc(Cl)nc1Oc1cccc(C#N)c1 ZINC001164933296 721888849 /nfs/dbraw/zinc/88/88/49/721888849.db2.gz LNYRVMZTXIKTAW-ROUUACIJSA-N 1 0 412.925 3.009 20 30 HGEDRO Cc1cc(Cl)nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c1C#N ZINC001164958081 722052164 /nfs/dbraw/zinc/05/21/64/722052164.db2.gz BPNXOVRFPVYVIK-UHFFFAOYSA-N 1 0 411.937 3.429 20 30 HGEDRO N#Cc1ccc2ncnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2c1 ZINC001164696021 719888125 /nfs/dbraw/zinc/88/81/25/719888125.db2.gz VFUUQUCPHCMDLO-UHFFFAOYSA-N 1 0 405.527 3.434 20 30 HGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)cc1C#N)C2 ZINC001164816822 720149154 /nfs/dbraw/zinc/14/91/54/720149154.db2.gz NAESBHIKHKJROE-APWZRJJASA-N 1 0 410.896 3.336 20 30 HGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)cc1C#N)C2 ZINC001164816823 720149483 /nfs/dbraw/zinc/14/94/83/720149483.db2.gz NAESBHIKHKJROE-LPHOPBHVSA-N 1 0 410.896 3.336 20 30 HGEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nccc3ccc(C#N)cc32)CC1 ZINC001164825075 720311747 /nfs/dbraw/zinc/31/17/47/720311747.db2.gz SICFCZPLUSSANK-YADHBBJMSA-N 1 0 403.530 3.018 20 30 HGEDRO CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164735333 720414228 /nfs/dbraw/zinc/41/42/28/720414228.db2.gz WHPBEMLGXNKWCK-PMACEKPBSA-N 1 0 404.518 3.186 20 30 HGEDRO N#Cc1cc(Cl)nc(C(F)(F)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1 ZINC001164727949 720567774 /nfs/dbraw/zinc/56/77/74/720567774.db2.gz GRDSNLHNRBTKJA-UHFFFAOYSA-N 1 0 406.868 3.007 20 30 HGEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1ccc(C3(C#N)CCOCC3)cn1)[C@H]2C ZINC001164863398 720996341 /nfs/dbraw/zinc/99/63/41/720996341.db2.gz UWFUJAHZEGSBRB-SFHVURJKSA-N 1 0 408.550 3.271 20 30 HGEDRO N#Cc1c(Cl)nccc1C(F)(F)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867040 721054216 /nfs/dbraw/zinc/05/42/16/721054216.db2.gz HCHIVZAKBPSYSG-HOTGVXAUSA-N 1 0 419.863 3.026 20 30 HGEDRO N#Cc1c(Cl)ncnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164905451 721692654 /nfs/dbraw/zinc/69/26/54/721692654.db2.gz JJHYELJEBKZXNL-GOSISDBHSA-N 1 0 404.852 3.134 20 30 HGEDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nc2cc(F)c(F)cc2c(Cl)c1C#N ZINC001164931550 721890894 /nfs/dbraw/zinc/89/08/94/721890894.db2.gz DWHNSSLXCLLWGL-ZWKOTPCHSA-N 1 0 405.880 3.253 20 30 HGEDRO C=CCNC(=O)c1cccnc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164939014 721930577 /nfs/dbraw/zinc/93/05/77/721930577.db2.gz GXEGTAJKBMNCHR-UHFFFAOYSA-N 1 0 420.557 3.177 20 30 HGEDRO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164968105 722078170 /nfs/dbraw/zinc/07/81/70/722078170.db2.gz QQQIZOLBYKTHPX-BETUJISGSA-N 1 0 404.848 3.337 20 30 HGEDRO C[Si](C)(C)C#Cc1cccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976111 722130096 /nfs/dbraw/zinc/13/00/96/722130096.db2.gz HFLWQHSATPYEOK-PKTZIBPZSA-N 1 0 420.633 3.433 20 30 HGEDRO COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccc(SC)c(OC)c2)C1 ZINC000328608429 569419432 /nfs/dbraw/zinc/41/94/32/569419432.db2.gz YZEVLLDFHOCOGL-MRXNPFEDSA-N 1 0 418.563 3.471 20 30 HGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)ncc1C#N)C2 ZINC001164808118 720122075 /nfs/dbraw/zinc/12/20/75/720122075.db2.gz DPVFOYTXZLNFPV-LPHOPBHVSA-N 1 0 410.896 3.336 20 30 HGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(C#N)cc(Cl)n1)C2 ZINC001164812007 720123384 /nfs/dbraw/zinc/12/33/84/720123384.db2.gz NVAOLOWETCRJCC-VQIMIIECSA-N 1 0 410.896 3.336 20 30 HGEDRO N#Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc2ccccc12 ZINC001164748993 720846251 /nfs/dbraw/zinc/84/62/51/720846251.db2.gz VOQHBXGOAVJPPJ-ZRCGQRJVSA-N 1 0 413.529 3.077 20 30 HGEDRO Cc1cc(C#N)cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164750896 720926603 /nfs/dbraw/zinc/92/66/03/720926603.db2.gz LCFUEXXKIIKEMG-ILBGXUMGSA-N 1 0 417.557 3.412 20 30 HGEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868461 721072661 /nfs/dbraw/zinc/07/26/61/721072661.db2.gz OONAIXMLYGDGKE-HZPDHXFCSA-N 1 0 419.863 3.026 20 30 HGEDRO N#Cc1cc(C(F)(F)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)cnc1Cl ZINC001164863551 721091912 /nfs/dbraw/zinc/09/19/12/721091912.db2.gz CUSLJKNUXBFQTO-ZWKOTPCHSA-N 1 0 419.863 3.026 20 30 HGEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001164769770 721293327 /nfs/dbraw/zinc/29/33/27/721293327.db2.gz MOXNGFHPCFNQRV-UHFFFAOYSA-N 1 0 424.879 3.250 20 30 HGEDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc4c(C#N)c[nH]c4n3)C2)C1 ZINC001164779358 721353267 /nfs/dbraw/zinc/35/32/67/721353267.db2.gz SOCVYTCCJZHVMM-HSZRJFAPSA-N 1 0 420.517 3.158 20 30 HGEDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(CC#N)c(C)n3)C2)C1 ZINC001164782981 721369040 /nfs/dbraw/zinc/36/90/40/721369040.db2.gz OOVLZZNRCQPBGV-HSZRJFAPSA-N 1 0 409.534 3.180 20 30 HGEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(Cl)cc1C#N)CC2 ZINC001164784780 721464284 /nfs/dbraw/zinc/46/42/84/721464284.db2.gz KCJLYTDGWKZIRR-HXUWFJFHSA-N 1 0 418.969 3.341 20 30 HGEDRO N#CC1(c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nc2)CCOCC1 ZINC001164907699 721550400 /nfs/dbraw/zinc/55/04/00/721550400.db2.gz OAUSMYVHPYJQNI-UNMCSNQZSA-N 1 0 422.504 3.134 20 30 HGEDRO COc1nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(F)cc1C#N ZINC001164905729 721721948 /nfs/dbraw/zinc/72/19/48/721721948.db2.gz JCRINKIEBSSFJG-HXUWFJFHSA-N 1 0 417.435 3.234 20 30 HGEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CC[NH+](C[C@@H]3CCCO3)CC2)cc1F ZINC001165036890 721911197 /nfs/dbraw/zinc/91/11/97/721911197.db2.gz DQCAENFNIDLHQW-HNNXBMFYSA-N 1 0 401.873 3.109 20 30 HGEDRO Cc1c(Cl)c(Cl)nc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)c1C#N ZINC001165000521 722251888 /nfs/dbraw/zinc/25/18/88/722251888.db2.gz QWTKEEFRNCPZBY-UHFFFAOYSA-N 1 0 423.348 3.254 20 30 HGEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)N3CCN4CC[NH2+]C[C@H]4C3)cc2c1Cl ZINC001164400115 718844538 /nfs/dbraw/zinc/84/45/38/718844538.db2.gz PYHHPJZRCPLZHE-LBPRGKRZSA-N 1 0 412.271 3.052 20 30 HGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc(Cl)ccc1C#N)C2 ZINC001164812018 720121633 /nfs/dbraw/zinc/12/16/33/720121633.db2.gz NYTWLLXGVTYEIH-LPHOPBHVSA-N 1 0 410.896 3.336 20 30 HGEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3c(cc1C#N)CCC3)CC2 ZINC001164712225 720142935 /nfs/dbraw/zinc/14/29/35/720142935.db2.gz LDAGLSKIKWGGGS-QFIPXVFZSA-N 1 0 417.557 3.344 20 30 HGEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)ccc1CC#N)CC2 ZINC001164713569 720145521 /nfs/dbraw/zinc/14/55/21/720145521.db2.gz SDCGWUVDAOYXOJ-JOCHJYFZSA-N 1 0 405.546 3.359 20 30 HGEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nccc3ccc(C#N)cc32)CC1 ZINC001164825074 720312141 /nfs/dbraw/zinc/31/21/41/720312141.db2.gz SICFCZPLUSSANK-VXKWHMMOSA-N 1 0 403.530 3.018 20 30 HGEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(C#C[Si](C)(C)C)ccn2)CC1 ZINC001164823544 720351364 /nfs/dbraw/zinc/35/13/64/720351364.db2.gz GXFFFCQDCKREBD-FGZHOGPDSA-N 1 0 424.665 3.222 20 30 HGEDRO N#Cc1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1F ZINC001164754051 720889731 /nfs/dbraw/zinc/88/97/31/720889731.db2.gz INOGIXQPPFALGH-ZJSXRUAMSA-N 1 0 421.520 3.242 20 30 HGEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3nc4ccc(C)cc4c(Cl)c3C#N)CC[C@@H]2C1 ZINC001164860965 720893023 /nfs/dbraw/zinc/89/30/23/720893023.db2.gz WRWMZKGGRWMOQX-OXQOHEQNSA-N 1 0 414.937 3.242 20 30 HGEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868462 721072930 /nfs/dbraw/zinc/07/29/30/721072930.db2.gz OONAIXMLYGDGKE-JKSUJKDBSA-N 1 0 419.863 3.026 20 30 HGEDRO N#Cc1nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c(Cl)cc1Cl ZINC001164879878 721174672 /nfs/dbraw/zinc/17/46/72/721174672.db2.gz UYKRXPUINZRGTI-LSDHHAIUSA-N 1 0 404.301 3.135 20 30 HGEDRO CC1(C)CCCc2cc(C#N)c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc21 ZINC001164867019 721187948 /nfs/dbraw/zinc/18/79/48/721187948.db2.gz DMZZLDMCSYRSGB-FCHUYYIVSA-N 1 0 417.557 3.442 20 30 HGEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(-c5cccs5)ccc4C#N)C[C@@H]3C2)cn1 ZINC001164761185 721204928 /nfs/dbraw/zinc/20/49/28/721204928.db2.gz ADIRLVDIZPZKKI-OALUTQOASA-N 1 0 404.543 3.374 20 30 HGEDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(Cl)c(C#N)n3)C2)C1 ZINC001164776630 721336746 /nfs/dbraw/zinc/33/67/46/721336746.db2.gz HJBNFAAMZGXOMM-NRFANRHFSA-N 1 0 415.925 3.331 20 30 HGEDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(Cl)c(C#N)n3)C2)C1 ZINC001164776632 721337160 /nfs/dbraw/zinc/33/71/60/721337160.db2.gz HJBNFAAMZGXOMM-OAQYLSRUSA-N 1 0 415.925 3.331 20 30 HGEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(Cl)c(C#N)n1)CC2 ZINC001164789347 721452209 /nfs/dbraw/zinc/45/22/09/721452209.db2.gz UVMSKTNXIQWDGD-GOSISDBHSA-N 1 0 418.969 3.341 20 30 HGEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C)c(C)cc1C#N)CC2 ZINC001164787707 721457851 /nfs/dbraw/zinc/45/78/51/721457851.db2.gz RSAWNBHWFFCFKE-JOCHJYFZSA-N 1 0 412.578 3.304 20 30 HGEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc3c(C#N)c[nH]c3n1)CC2 ZINC001164784824 721461499 /nfs/dbraw/zinc/46/14/99/721461499.db2.gz KLAFTTCTBNJAOP-FQEVSTJZSA-N 1 0 423.561 3.168 20 30 HGEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc4c(cc3C#N)COCC4)C[C@H]21 ZINC001165021495 721828249 /nfs/dbraw/zinc/82/82/49/721828249.db2.gz FWEKXLFXEMIKNI-ODOSVJCGSA-N 1 0 403.530 3.158 20 30 HGEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc3c(cc2C#N)COCC3)CC1 ZINC001165029776 721844760 /nfs/dbraw/zinc/84/47/60/721844760.db2.gz CFQUVQKSPRMVIA-UHFFFAOYSA-N 1 0 422.529 3.144 20 30 HGEDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1cnc(Cl)nc1Oc1ccccc1C#N ZINC001164929820 721888782 /nfs/dbraw/zinc/88/87/82/721888782.db2.gz CHBDFGDEHOKYQH-IAGOWNOFSA-N 1 0 412.925 3.009 20 30 HGEDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1cnc(Cl)nc1Oc1ccc(C#N)cc1 ZINC001164934375 721888917 /nfs/dbraw/zinc/88/89/17/721888917.db2.gz QWMPRWFLXNWAKF-ROUUACIJSA-N 1 0 412.925 3.009 20 30 HGEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CC[NH+](C[C@H]3CCCO3)CC2)cc1F ZINC001165036902 721911022 /nfs/dbraw/zinc/91/10/22/721911022.db2.gz DQCAENFNIDLHQW-OAHLLOKOSA-N 1 0 401.873 3.109 20 30 HGEDRO N#CC1(c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2)CCC1 ZINC001164981603 722117097 /nfs/dbraw/zinc/11/70/97/722117097.db2.gz UTBBYFXRHIOYPF-IFMALSPDSA-N 1 0 403.530 3.149 20 30 HGEDRO N#Cc1ccc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)c([N+](=O)[O-])c1 ZINC001473641712 1126198269 /nfs/dbraw/zinc/19/82/69/1126198269.db2.gz ULNMQJICKIAREI-LJQANCHMSA-N 1 0 416.275 3.239 20 30 HGEDRO O=C(C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1)NCc1cccnc1 ZINC000328604060 569417230 /nfs/dbraw/zinc/41/72/30/569417230.db2.gz IHQZVMJTFXNNLK-XMSQKQJNSA-N 1 0 404.474 3.037 20 30 HGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc(C#N)c(Cl)n1)C2 ZINC001164813105 720074616 /nfs/dbraw/zinc/07/46/16/720074616.db2.gz SOJUOIVCYXYBFH-APWZRJJASA-N 1 0 410.896 3.336 20 30 HGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)nc(C#N)c1)C2 ZINC001164813792 720111918 /nfs/dbraw/zinc/11/19/18/720111918.db2.gz QQDPCXKQGXDKPS-VQIMIIECSA-N 1 0 410.896 3.336 20 30 HGEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C)cc1C=NO)CC2 ZINC001164710786 720132806 /nfs/dbraw/zinc/13/28/06/720132806.db2.gz COCRJFFLDYMMHJ-NRFANRHFSA-N 1 0 409.534 3.101 20 30 HGEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3[nH]c(C#N)cc3n1)CC2 ZINC001164714708 720139741 /nfs/dbraw/zinc/13/97/41/720139741.db2.gz YGYQYMNZHCWKLB-FQEVSTJZSA-N 1 0 416.529 3.337 20 30 HGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C#N)c3cc([N+](=O)[O-])ccc3n1)C2 ZINC001164812833 720196699 /nfs/dbraw/zinc/19/66/99/720196699.db2.gz MJSUDCYVYPWLQY-WZONZLPQSA-N 1 0 421.501 3.199 20 30 HGEDRO COc1nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(F)cc1C#N ZINC001164839093 720708386 /nfs/dbraw/zinc/70/83/86/720708386.db2.gz KUBXIYHDHCWEKM-IBGZPJMESA-N 1 0 410.493 3.361 20 30 HGEDRO CC(C)c1ccc(C#N)c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164751235 720813889 /nfs/dbraw/zinc/81/38/89/720813889.db2.gz XORVWJAHUYXYME-TUNNFDKTSA-N 1 0 405.550 3.048 20 30 HGEDRO N#Cc1ccc2ccnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164737437 720823876 /nfs/dbraw/zinc/82/38/76/720823876.db2.gz BEVNBWSCDHTMIZ-QZNHQXDQSA-N 1 0 413.529 3.077 20 30 HGEDRO N#CCc1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164750680 720898769 /nfs/dbraw/zinc/89/87/69/720898769.db2.gz BOYXZYHMJNNMRM-UKILVPOCSA-N 1 0 417.557 3.298 20 30 HGEDRO N#Cc1cc(C(F)(F)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)cc(Cl)n1 ZINC001164867249 721085229 /nfs/dbraw/zinc/08/52/29/721085229.db2.gz XMAHTCXMILXJEQ-ZWKOTPCHSA-N 1 0 419.863 3.026 20 30 HGEDRO N#Cc1cc(Cl)c(Cl)nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164864995 721089405 /nfs/dbraw/zinc/08/94/05/721089405.db2.gz HWVVRPVNVAMQGA-HOTGVXAUSA-N 1 0 404.301 3.135 20 30 HGEDRO Cc1cnc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c(C#C[Si](C)(C)C)c1 ZINC001164771506 721175690 /nfs/dbraw/zinc/17/56/90/721175690.db2.gz QSYNQMHTVKIAQF-FCHUYYIVSA-N 1 0 407.638 3.311 20 30 HGEDRO N#Cc1c(Cl)cc(Cl)nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164872505 721179508 /nfs/dbraw/zinc/17/95/08/721179508.db2.gz HIIOXEBDLYMSPY-HUUCEWRRSA-N 1 0 404.301 3.135 20 30 HGEDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C)ccc3CC#N)C2)C1 ZINC001164782945 721368726 /nfs/dbraw/zinc/36/87/26/721368726.db2.gz NZEBCMWKPUFXQB-HSZRJFAPSA-N 1 0 409.534 3.180 20 30 HGEDRO CSc1nc(Cl)c(C#N)c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164898089 721508759 /nfs/dbraw/zinc/50/87/59/721508759.db2.gz HQNKCZZFKDXCTA-HIFRSBDPSA-N 1 0 419.913 3.205 20 30 HGEDRO C=CCOc1cc(C)nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164906539 721706479 /nfs/dbraw/zinc/70/64/79/721706479.db2.gz MPVROVLEABGEER-NRFANRHFSA-N 1 0 415.488 3.483 20 30 HGEDRO CCCc1cc(C#N)c(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)nc1Cl ZINC001165011958 721739250 /nfs/dbraw/zinc/73/92/50/721739250.db2.gz ZFHUKPDNUCRLMB-UHFFFAOYSA-N 1 0 403.958 3.082 20 30 HGEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)ncc2C#N)CC1 ZINC001165021560 721839282 /nfs/dbraw/zinc/83/92/82/721839282.db2.gz OITXJUCXYFGBRN-UHFFFAOYSA-N 1 0 401.898 3.120 20 30 HGEDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1cnc(Cl)nc1Oc1cccc(C#N)c1 ZINC001164933297 721888641 /nfs/dbraw/zinc/88/86/41/721888641.db2.gz LNYRVMZTXIKTAW-ZWKOTPCHSA-N 1 0 412.925 3.009 20 30 HGEDRO CCOC(=O)c1cc(C)nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1C#N ZINC001164953559 722015194 /nfs/dbraw/zinc/01/51/94/722015194.db2.gz UPRHMNXITDMUEO-UHFFFAOYSA-N 1 0 419.529 3.326 20 30 HGEDRO COc1cc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)ccc1C#N ZINC001203129071 1126157799 /nfs/dbraw/zinc/15/77/99/1126157799.db2.gz ZJNSCFYAJNMEIO-FQEVSTJZSA-N 1 0 401.304 3.339 20 30 HGEDRO COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccc(SC)c(OC)c2)C1 ZINC000328608428 569419484 /nfs/dbraw/zinc/41/94/84/569419484.db2.gz YZEVLLDFHOCOGL-INIZCTEOSA-N 1 0 418.563 3.471 20 30 HGEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCCCC12CC[NH2+]CC2 ZINC001164420544 718910781 /nfs/dbraw/zinc/91/07/81/718910781.db2.gz KRTRZLVULPLZHM-UHFFFAOYSA-N 1 0 412.868 3.441 20 30 HGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccnc(Cl)c1C#N)C2 ZINC001164810342 720080098 /nfs/dbraw/zinc/08/00/98/720080098.db2.gz KWKIIHVTYUANKR-DNVCBOLYSA-N 1 0 410.896 3.336 20 30 HGEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc3[nH]c(C#N)cc3n1)CC2 ZINC001164714711 720139684 /nfs/dbraw/zinc/13/96/84/720139684.db2.gz YGYQYMNZHCWKLB-HXUWFJFHSA-N 1 0 416.529 3.337 20 30 HGEDRO Cc1nc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c(C#N)c(C)c1Cl ZINC001164815465 720210606 /nfs/dbraw/zinc/21/06/06/720210606.db2.gz ZPZYIHBSGIQPQI-UHFFFAOYSA-N 1 0 414.941 3.031 20 30 HGEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(C#N)c3ccccc3n2)CC1 ZINC001164828759 720338026 /nfs/dbraw/zinc/33/80/26/720338026.db2.gz PTABNZUIQRDEOM-VXKWHMMOSA-N 1 0 403.530 3.018 20 30 HGEDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2cnc(Cl)nc2Oc2ccc(C#N)cc2)C1 ZINC001164734708 720533182 /nfs/dbraw/zinc/53/31/82/720533182.db2.gz KQWORFDQGQOEDC-MRXNPFEDSA-N 1 0 423.908 3.188 20 30 HGEDRO N#Cc1ccc(C(F)(F)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc1Cl ZINC001164733397 720550709 /nfs/dbraw/zinc/55/07/09/720550709.db2.gz MRHJRPIMVXXJTJ-UHFFFAOYSA-N 1 0 406.868 3.007 20 30 HGEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164728804 720566994 /nfs/dbraw/zinc/56/69/94/720566994.db2.gz MDIFCZILFJSARY-UHFFFAOYSA-N 1 0 406.868 3.007 20 30 HGEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc([N+](=O)[O-])cc1C#N)CC2 ZINC001164845350 720682998 /nfs/dbraw/zinc/68/29/98/720682998.db2.gz YMHWNZVAMXYVGZ-FQEVSTJZSA-N 1 0 407.474 3.121 20 30 HGEDRO Cc1cccc2nc(Cl)c(C#N)c(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164742239 720807698 /nfs/dbraw/zinc/80/76/98/720807698.db2.gz COVILXZDGHZRJN-JKSUJKDBSA-N 1 0 420.904 3.200 20 30 HGEDRO N#Cc1c(F)ccnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164758125 720895912 /nfs/dbraw/zinc/89/59/12/720895912.db2.gz WZEOMQARPVBHAU-YKSBVNFPSA-N 1 0 421.520 3.242 20 30 HGEDRO N#Cc1c(F)ccnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164758122 720895926 /nfs/dbraw/zinc/89/59/26/720895926.db2.gz WZEOMQARPVBHAU-RDPSFJRHSA-N 1 0 421.520 3.242 20 30 HGEDRO CSc1nc(Cl)c(C#N)c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164863246 720915771 /nfs/dbraw/zinc/91/57/71/720915771.db2.gz XTTIQUUNBQXPPT-LBPRGKRZSA-N 1 0 405.959 3.341 20 30 HGEDRO Cc1cc(C#N)cc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164750900 720928148 /nfs/dbraw/zinc/92/81/48/720928148.db2.gz LCFUEXXKIIKEMG-NOZRDPDXSA-N 1 0 417.557 3.412 20 30 HGEDRO Cc1c(Cl)c(Cl)nc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1C#N ZINC001164766671 721093324 /nfs/dbraw/zinc/09/33/24/721093324.db2.gz LIJNNXANQKAQMB-HUUCEWRRSA-N 1 0 405.333 3.260 20 30 HGEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Cl)cc(C#N)n1)CC2 ZINC001164788691 721457953 /nfs/dbraw/zinc/45/79/53/721457953.db2.gz VNZZSHOPGLIOIP-HXUWFJFHSA-N 1 0 418.969 3.341 20 30 HGEDRO N#Cc1nc(Cl)cnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907103 721692131 /nfs/dbraw/zinc/69/21/31/721692131.db2.gz RTVGMIIZUZRXLH-GOSISDBHSA-N 1 0 404.852 3.134 20 30 HGEDRO Cc1nc(Cl)nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1C#N ZINC001164907324 721707133 /nfs/dbraw/zinc/70/71/33/721707133.db2.gz QYLXJYFTEHRRHJ-IBGZPJMESA-N 1 0 418.879 3.443 20 30 HGEDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc3c(cc2C#N)CCCC3(C)C)CC1 ZINC001165012249 721749656 /nfs/dbraw/zinc/74/96/56/721749656.db2.gz DLGDAVRQNYHYMK-UHFFFAOYSA-N 1 0 409.578 3.090 20 30 HGEDRO C=CCNC(=O)c1cccnc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165028317 721823637 /nfs/dbraw/zinc/82/36/37/721823637.db2.gz VLJLBAHMZINOGL-NYVOZVTQSA-N 1 0 405.546 3.129 20 30 HGEDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncnc5[nH]cc(C#N)c54)CC3)C2)cc1 ZINC001164939585 721920362 /nfs/dbraw/zinc/92/03/62/721920362.db2.gz UZBGGXDPAKFOLQ-UHFFFAOYSA-N 1 0 402.502 3.009 20 30 HGEDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(C#N)c(C#N)nc4Cl)CC3)C2)cc1 ZINC001164939380 721926756 /nfs/dbraw/zinc/92/67/56/721926756.db2.gz KXENDDOUYIBFPC-UHFFFAOYSA-N 1 0 422.920 3.053 20 30 HGEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165048066 721975656 /nfs/dbraw/zinc/97/56/56/721975656.db2.gz IRMSENJYBUJPBP-QZTJIDSGSA-N 1 0 407.518 3.255 20 30 HGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc(Cl)nc1C#N)C2 ZINC001164812214 720097764 /nfs/dbraw/zinc/09/77/64/720097764.db2.gz PWLPRVYBBCFIFN-HNAYVOBHSA-N 1 0 410.896 3.336 20 30 HGEDRO N#Cc1cnc2cnc(Cl)cc2c1N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164733030 720553680 /nfs/dbraw/zinc/55/36/80/720553680.db2.gz IIRJAEHACRMXJC-UHFFFAOYSA-N 1 0 407.909 3.010 20 30 HGEDRO N#Cc1cc(C(F)(F)N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)cc(Cl)n1 ZINC001164837504 720739179 /nfs/dbraw/zinc/73/91/79/720739179.db2.gz NENTYGBIXIIEJW-UHFFFAOYSA-N 1 0 406.868 3.400 20 30 HGEDRO CC(C)c1ccc(C#N)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164751230 720813987 /nfs/dbraw/zinc/81/39/87/720813987.db2.gz XORVWJAHUYXYME-JAXLGGSGSA-N 1 0 405.550 3.048 20 30 HGEDRO Cc1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1C#N ZINC001164751480 720875076 /nfs/dbraw/zinc/87/50/76/720875076.db2.gz KJEWZFKDDTUIJL-RDGATRHJSA-N 1 0 417.557 3.412 20 30 HGEDRO N#Cc1cc(F)cnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755526 720877201 /nfs/dbraw/zinc/87/72/01/720877201.db2.gz YGTRPYWACBDGLW-ZJSXRUAMSA-N 1 0 421.520 3.242 20 30 HGEDRO Cc1cc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1C#N ZINC001164755369 720885054 /nfs/dbraw/zinc/88/50/54/720885054.db2.gz LMSUKMYCDCFAEI-UKILVPOCSA-N 1 0 417.557 3.412 20 30 HGEDRO N#CCc1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164750684 720898897 /nfs/dbraw/zinc/89/88/97/720898897.db2.gz BOYXZYHMJNNMRM-ZCYQVOJMSA-N 1 0 417.557 3.298 20 30 HGEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868459 721072704 /nfs/dbraw/zinc/07/27/04/721072704.db2.gz OONAIXMLYGDGKE-CVEARBPZSA-N 1 0 419.863 3.026 20 30 HGEDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C)ccc3CC#N)C2)C1 ZINC001164782946 721368500 /nfs/dbraw/zinc/36/85/00/721368500.db2.gz NZEBCMWKPUFXQB-QHCPKHFHSA-N 1 0 409.534 3.180 20 30 HGEDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(C#N)c(Cl)cc4Cl)C3)O2)CC1 ZINC001164897239 721445241 /nfs/dbraw/zinc/44/52/41/721445241.db2.gz STYYUXRPPOXTDY-QRWLVFNGSA-N 1 0 424.376 3.025 20 30 HGEDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C3(C#N)CCC3)cn2)[C@H]2CCCO[C@@H]12 ZINC001164809886 721553704 /nfs/dbraw/zinc/55/37/04/721553704.db2.gz XUWZEEMPANKRNI-QZNHQXDQSA-N 1 0 403.530 3.290 20 30 HGEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N(C)CC1CC[NH+](C)CC1 ZINC001165041453 721935043 /nfs/dbraw/zinc/93/50/43/721935043.db2.gz XQYSLFVWADMJFI-UHFFFAOYSA-N 1 0 400.857 3.106 20 30 HGEDRO C[Si](C)(C)C#Cc1cccnc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976108 722130165 /nfs/dbraw/zinc/13/01/65/722130165.db2.gz HFLWQHSATPYEOK-DHIUTWEWSA-N 1 0 420.633 3.433 20 30 HGEDRO COc1cc(C#N)ccc1C[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC001460421579 1126191180 /nfs/dbraw/zinc/19/11/80/1126191180.db2.gz FFNLDDGFLQOTOF-HXUWFJFHSA-N 1 0 401.304 3.339 20 30 HGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(-c3ccncc3)ccc1C#N)C2 ZINC001164819482 720161015 /nfs/dbraw/zinc/16/10/15/720161015.db2.gz XIRLMQWTHVNFQE-ZJSXRUAMSA-N 1 0 403.530 3.200 20 30 HGEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nccc3ccc(C#N)cc32)CC1 ZINC001164825072 720311799 /nfs/dbraw/zinc/31/17/99/720311799.db2.gz SICFCZPLUSSANK-FCHUYYIVSA-N 1 0 403.530 3.018 20 30 HGEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc(Cl)c(Cl)cc2C#N)CC1 ZINC001164827709 720318981 /nfs/dbraw/zinc/31/89/81/720318981.db2.gz HVCDCFPRWWTZRY-IRXDYDNUSA-N 1 0 422.360 3.172 20 30 HGEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(C#N)c3ccccc3n2)CC1 ZINC001164828762 720338145 /nfs/dbraw/zinc/33/81/45/720338145.db2.gz PTABNZUIQRDEOM-YADHBBJMSA-N 1 0 403.530 3.018 20 30 HGEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(Cl)cc(Cl)c2C#N)CC1 ZINC001164827392 720351972 /nfs/dbraw/zinc/35/19/72/720351972.db2.gz LHKKBINXGUUUSF-SJORKVTESA-N 1 0 422.360 3.172 20 30 HGEDRO N#Cc1cc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc2ccc([N+](=O)[O-])cc12 ZINC001164731996 720475731 /nfs/dbraw/zinc/47/57/31/720475731.db2.gz YHSINKLZXYXSDT-LEWJYISDSA-N 1 0 400.442 3.263 20 30 HGEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(C#N)ccc1[N+](=O)[O-])CC2 ZINC001164842712 720688732 /nfs/dbraw/zinc/68/87/32/720688732.db2.gz MXGKZZZWNXWLJK-IBGZPJMESA-N 1 0 407.474 3.121 20 30 HGEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(C#N)c(C#N)nc1Cl)CC2 ZINC001164843844 720690707 /nfs/dbraw/zinc/69/07/07/720690707.db2.gz RJTRMJJDEOMYCH-KRWDZBQOSA-N 1 0 422.920 3.133 20 30 HGEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc3c(C#N)c[nH]c3n1)CC2 ZINC001164840899 720705237 /nfs/dbraw/zinc/70/52/37/720705237.db2.gz RWDTUOXOFARCOY-LJQANCHMSA-N 1 0 402.502 3.089 20 30 HGEDRO N#Cc1ccc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1 ZINC001164747191 720867640 /nfs/dbraw/zinc/86/76/40/720867640.db2.gz AJLCUAGPMUBTCB-UPVQGACJSA-N 1 0 403.530 3.103 20 30 HGEDRO N#Cc1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1F ZINC001164754047 720889863 /nfs/dbraw/zinc/88/98/63/720889863.db2.gz INOGIXQPPFALGH-URXFXBBRSA-N 1 0 421.520 3.242 20 30 HGEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(-c5ccc(F)cc5)ccc4C#N)C[C@@H]3C2)cn1 ZINC001164762917 721081274 /nfs/dbraw/zinc/08/12/74/721081274.db2.gz FMCGLQJQUMNRMT-RTWAWAEBSA-N 1 0 416.504 3.451 20 30 HGEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164864844 721094955 /nfs/dbraw/zinc/09/49/55/721094955.db2.gz GUPFCDFNJSHDPG-IAGOWNOFSA-N 1 0 419.863 3.026 20 30 HGEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867005 721095138 /nfs/dbraw/zinc/09/51/38/721095138.db2.gz WLGUOWYUBNJQHV-SJORKVTESA-N 1 0 419.863 3.026 20 30 HGEDRO N#Cc1cc(Cl)nc(C(F)(F)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164865590 721096149 /nfs/dbraw/zinc/09/61/49/721096149.db2.gz NIQZXBFMQDFYSG-DLBZAZTESA-N 1 0 419.863 3.026 20 30 HGEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(C#N)c5cc(Cl)ccc5n4)C[C@@H]3C2)cn1 ZINC001164760202 721233248 /nfs/dbraw/zinc/23/32/48/721233248.db2.gz DCBRQNAQZIDXRU-WMZOPIPTSA-N 1 0 406.921 3.452 20 30 HGEDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)cc(Cl)c4C#N)C3)O2)CC1 ZINC001164888355 721446990 /nfs/dbraw/zinc/44/69/90/721446990.db2.gz LSEZEMMIZLKXDW-MGPUTAFESA-N 1 0 424.376 3.025 20 30 HGEDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(Cl)cc(Cl)c4C#N)C3)O2)CC1 ZINC001164888350 721447914 /nfs/dbraw/zinc/44/79/14/721447914.db2.gz LSEZEMMIZLKXDW-FOIQADDNSA-N 1 0 424.376 3.025 20 30 HGEDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)cc(Cl)c4C#N)C3)O2)CC1 ZINC001164888357 721448004 /nfs/dbraw/zinc/44/80/04/721448004.db2.gz LSEZEMMIZLKXDW-QRWLVFNGSA-N 1 0 424.376 3.025 20 30 HGEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc(Cl)c1C#N)CC2 ZINC001164787603 721454884 /nfs/dbraw/zinc/45/48/84/721454884.db2.gz OVPBXQUFIZIJPK-GOSISDBHSA-N 1 0 418.969 3.341 20 30 HGEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(CC#N)c(C)n1)CC2 ZINC001164787209 721467803 /nfs/dbraw/zinc/46/78/03/721467803.db2.gz DLXYYRXZGJRIBS-QFIPXVFZSA-N 1 0 412.578 3.190 20 30 HGEDRO N#CC1(c2ccc(N3CC[N@@H+]4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2)CCOCC1 ZINC001164907695 721550046 /nfs/dbraw/zinc/55/00/46/721550046.db2.gz OAUSMYVHPYJQNI-IRLDBZIGSA-N 1 0 422.504 3.134 20 30 HGEDRO N#CC1(c2ccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nc2)CCOCC1 ZINC001164907697 721550183 /nfs/dbraw/zinc/55/01/83/721550183.db2.gz OAUSMYVHPYJQNI-RBBKRZOGSA-N 1 0 422.504 3.134 20 30 HGEDRO N#Cc1cc(Cl)nnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904288 721694732 /nfs/dbraw/zinc/69/47/32/721694732.db2.gz FFRLAPNDEDFNPH-GOSISDBHSA-N 1 0 404.852 3.134 20 30 HGEDRO N#Cc1cc(Cl)c(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977323 722118055 /nfs/dbraw/zinc/11/80/55/722118055.db2.gz MNKXDUKZMFSQDB-MAUKXSAKSA-N 1 0 418.328 3.382 20 30 HGEDRO N#Cc1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c(Cl)cc1Cl ZINC001164973817 722151601 /nfs/dbraw/zinc/15/16/01/722151601.db2.gz MHXZWAHLIZIBDY-BEFAXECRSA-N 1 0 418.328 3.382 20 30 HGEDRO C[Si](C)(C)C#Cc1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164973035 722154222 /nfs/dbraw/zinc/15/42/22/722154222.db2.gz KHFLGPGSWGBEBS-XZOQPEGZSA-N 1 0 420.633 3.433 20 30 HGEDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(Br)cc2C#N)cc1OC ZINC001308116653 1126163267 /nfs/dbraw/zinc/16/32/67/1126163267.db2.gz BYQIZIFYXZPTSG-HXUWFJFHSA-N 1 0 419.319 3.421 20 30 HGEDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(C#N)cc2OC(F)F)cc1OC ZINC001560184353 1126209852 /nfs/dbraw/zinc/20/98/52/1126209852.db2.gz KTYOEXPCEDEQGR-OAQYLSRUSA-N 1 0 406.429 3.260 20 30 HGEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc4c(cc2C#N)COCC4)CC3)cs1 ZINC001164691259 719815268 /nfs/dbraw/zinc/81/52/68/719815268.db2.gz BYLHTTCVYYIPGV-UHFFFAOYSA-N 1 0 409.559 3.426 20 30 HGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)ncc1C#N)C2 ZINC001164808117 720121235 /nfs/dbraw/zinc/12/12/35/720121235.db2.gz DPVFOYTXZLNFPV-APWZRJJASA-N 1 0 410.896 3.336 20 30 HGEDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncccc1C#C[Si](C)(C)C)CCC2 ZINC001164812548 720229135 /nfs/dbraw/zinc/22/91/35/720229135.db2.gz GVKQUMFWXZUWDE-UHFFFAOYSA-N 1 0 423.637 3.118 20 30 HGEDRO CCc1nc(C#N)c(C#N)nc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164836988 720724992 /nfs/dbraw/zinc/72/49/92/720724992.db2.gz CKRFKOJVRNOWON-LJQANCHMSA-N 1 0 416.529 3.042 20 30 HGEDRO N#Cc1cnc2cnc(Cl)cc2c1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164869202 721057977 /nfs/dbraw/zinc/05/79/77/721057977.db2.gz SEKRXJSPWFLILF-ZWKOTPCHSA-N 1 0 420.904 3.030 20 30 HGEDRO Cc1c(Cl)c(Cl)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1C#N ZINC001164869500 721062888 /nfs/dbraw/zinc/06/28/88/721062888.db2.gz TWJDVYBNRDWQRI-CVEARBPZSA-N 1 0 418.328 3.443 20 30 HGEDRO N#Cc1cc(Cl)c(Cl)nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164864997 721088630 /nfs/dbraw/zinc/08/86/30/721088630.db2.gz HWVVRPVNVAMQGA-HZPDHXFCSA-N 1 0 404.301 3.135 20 30 HGEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867004 721094325 /nfs/dbraw/zinc/09/43/25/721094325.db2.gz WLGUOWYUBNJQHV-IRXDYDNUSA-N 1 0 419.863 3.026 20 30 HGEDRO Cc1cnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c(C#C[Si](C)(C)C)c1 ZINC001164878554 721124009 /nfs/dbraw/zinc/12/40/09/721124009.db2.gz QMWZRYPLBLHIRW-GOTSBHOMSA-N 1 0 420.633 3.494 20 30 HGEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(Cl)ncc1C#N)CC2 ZINC001164786005 721451912 /nfs/dbraw/zinc/45/19/12/721451912.db2.gz LUGLVNSIDRMWJN-IBGZPJMESA-N 1 0 418.969 3.341 20 30 HGEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc3c(cc1C#N)CCC3)CC2 ZINC001164790650 721467429 /nfs/dbraw/zinc/46/74/29/721467429.db2.gz TWPJXAZPSKXLBE-JOCHJYFZSA-N 1 0 424.589 3.176 20 30 HGEDRO N#Cc1cc(N2CC[NH+](CCOc3ccccc3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000301378285 721961923 /nfs/dbraw/zinc/96/19/23/721961923.db2.gz YQGDRJDXKRYOGS-UHFFFAOYSA-N 1 0 403.442 3.216 20 30 HGEDRO N#Cc1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)cc1Cl ZINC001164973818 722152230 /nfs/dbraw/zinc/15/22/30/722152230.db2.gz MHXZWAHLIZIBDY-DNVCBOLYSA-N 1 0 418.328 3.382 20 30 HGEDRO COc1cc(C#N)ccc1C[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC001460421578 1126191128 /nfs/dbraw/zinc/19/11/28/1126191128.db2.gz FFNLDDGFLQOTOF-FQEVSTJZSA-N 1 0 401.304 3.339 20 30 HGEDRO N#Cc1ccc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)c([N+](=O)[O-])c1 ZINC001473641703 1126198384 /nfs/dbraw/zinc/19/83/84/1126198384.db2.gz ULNMQJICKIAREI-IBGZPJMESA-N 1 0 416.275 3.239 20 30 HGEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@@H]4[NH2+]CCO[C@@H]4C3)cnc2Cl)cc1 ZINC001164389404 718826504 /nfs/dbraw/zinc/82/65/04/718826504.db2.gz IFYPIUPDPHPHJR-ZWKOTPCHSA-N 1 0 404.848 3.386 20 30 HGEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CCO[C@H]4C[NH2+]CC[C@H]4C3)c(Cl)nn2)cc1 ZINC001164407006 718865562 /nfs/dbraw/zinc/86/55/62/718865562.db2.gz IGAAQJIZJWWDPJ-YJBOKZPZSA-N 1 0 419.863 3.028 20 30 HGEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)c(Cl)nn2)c1 ZINC001164410095 718865756 /nfs/dbraw/zinc/86/57/56/718865756.db2.gz WPIOTEBCCKQHTR-CRAIPNDOSA-N 1 0 419.863 3.028 20 30 HGEDRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(-c4ccncc4)ccc3C#N)CC2)CC1 ZINC001164617935 719031269 /nfs/dbraw/zinc/03/12/69/719031269.db2.gz SFFRKWWBFHETND-UHFFFAOYSA-N 1 0 419.529 3.259 20 30 HGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cc(Cl)nc(C#N)c1)C2 ZINC001164813791 720112208 /nfs/dbraw/zinc/11/22/08/720112208.db2.gz QQDPCXKQGXDKPS-QFBILLFUSA-N 1 0 410.896 3.336 20 30 HGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(Cl)nc(C#N)c1)C2 ZINC001164813790 720112540 /nfs/dbraw/zinc/11/25/40/720112540.db2.gz QQDPCXKQGXDKPS-LPHOPBHVSA-N 1 0 410.896 3.336 20 30 HGEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(Cl)c(Cl)cc2C#N)CC1 ZINC001164827707 720319148 /nfs/dbraw/zinc/31/91/48/720319148.db2.gz HVCDCFPRWWTZRY-IAGOWNOFSA-N 1 0 422.360 3.172 20 30 HGEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)c(F)cc3C#N)CC[C@@H]21 ZINC001164834693 720508361 /nfs/dbraw/zinc/50/83/61/720508361.db2.gz HDLRSGHRUAIJMI-RYRKJORJSA-N 1 0 402.905 3.320 20 30 HGEDRO CC(C)[N@H+]1[C@@H]2CCN(c3ncc4c(c3C#N)CCCC4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837532 720647889 /nfs/dbraw/zinc/64/78/89/720647889.db2.gz CHSGPVKYTVGLET-ZRCGQRJVSA-N 1 0 404.562 3.406 20 30 HGEDRO N#Cc1ccc2ccnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)c2c1 ZINC001164737434 720823736 /nfs/dbraw/zinc/82/37/36/720823736.db2.gz BEVNBWSCDHTMIZ-FUPPJEDESA-N 1 0 413.529 3.077 20 30 HGEDRO N#Cc1cccnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164750415 720871959 /nfs/dbraw/zinc/87/19/59/720871959.db2.gz JBKAEDVUQXRIFH-ISKFKSNPSA-N 1 0 403.530 3.103 20 30 HGEDRO Cc1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1C#N ZINC001164751479 720875270 /nfs/dbraw/zinc/87/52/70/720875270.db2.gz KJEWZFKDDTUIJL-RCZVLFRGSA-N 1 0 417.557 3.412 20 30 HGEDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc4cc(F)ccc4c(Cl)c3C#N)CC[C@H]2C1 ZINC001164862095 720890693 /nfs/dbraw/zinc/89/06/93/720890693.db2.gz QLBVQOCKTMKNMS-LIRRHRJNSA-N 1 0 418.900 3.072 20 30 HGEDRO N#Cc1cc(Cl)c(Cl)nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164864990 721088541 /nfs/dbraw/zinc/08/85/41/721088541.db2.gz HWVVRPVNVAMQGA-CVEARBPZSA-N 1 0 404.301 3.135 20 30 HGEDRO Cc1c(Cl)c(Cl)nc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1C#N ZINC001164766660 721092744 /nfs/dbraw/zinc/09/27/44/721092744.db2.gz LIJNNXANQKAQMB-CABCVRRESA-N 1 0 405.333 3.260 20 30 HGEDRO CCCc1cc(C#N)c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1Cl ZINC001164863675 721101223 /nfs/dbraw/zinc/10/12/23/721101223.db2.gz CZEDVKRIRKFCLC-UXHICEINSA-N 1 0 411.937 3.434 20 30 HGEDRO N#Cc1c(Cl)cc(Cl)nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164872506 721180027 /nfs/dbraw/zinc/18/00/27/721180027.db2.gz HIIOXEBDLYMSPY-LSDHHAIUSA-N 1 0 404.301 3.135 20 30 HGEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc5c(cc4C#N)CCCC5(C)C)C[C@@H]3C2)cn1 ZINC001164765069 721241132 /nfs/dbraw/zinc/24/11/32/721241132.db2.gz QORVHVHEJSVHED-CTNGQTDRSA-N 1 0 404.562 3.259 20 30 HGEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(C#N)cc1Cl)CC2 ZINC001164786824 721451971 /nfs/dbraw/zinc/45/19/71/721451971.db2.gz NTJAFMDRKMRLHY-IBGZPJMESA-N 1 0 418.969 3.341 20 30 HGEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(Cl)cc1C#N)CC2 ZINC001164784776 721464024 /nfs/dbraw/zinc/46/40/24/721464024.db2.gz KCJLYTDGWKZIRR-FQEVSTJZSA-N 1 0 418.969 3.341 20 30 HGEDRO N#CC1(c2ccc(N3CC[N@@H+]4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2)CCOCC1 ZINC001164907694 721550386 /nfs/dbraw/zinc/55/03/86/721550386.db2.gz OAUSMYVHPYJQNI-IFMALSPDSA-N 1 0 422.504 3.134 20 30 HGEDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(C3(C#N)CCC3)cn2)[C@@H]2CCCO[C@H]12 ZINC001164809888 721553526 /nfs/dbraw/zinc/55/35/26/721553526.db2.gz XUWZEEMPANKRNI-XPNTWCBSSA-N 1 0 403.530 3.290 20 30 HGEDRO N#Cc1ncc(Cl)nc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164906578 721693176 /nfs/dbraw/zinc/69/31/76/721693176.db2.gz NKPSNUUYFZPCBT-GOSISDBHSA-N 1 0 404.852 3.134 20 30 HGEDRO N#Cc1cc(Cl)nnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904290 721694255 /nfs/dbraw/zinc/69/42/55/721694255.db2.gz FFRLAPNDEDFNPH-SFHVURJKSA-N 1 0 404.852 3.134 20 30 HGEDRO C=CCNC(=O)c1cccnc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165028321 721823809 /nfs/dbraw/zinc/82/38/09/721823809.db2.gz VLJLBAHMZINOGL-YUXAGFNASA-N 1 0 405.546 3.129 20 30 HGEDRO N#CC1(c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2)CCC1 ZINC001164981627 722117726 /nfs/dbraw/zinc/11/77/26/722117726.db2.gz UTBBYFXRHIOYPF-RBBKRZOGSA-N 1 0 403.530 3.149 20 30 HGEDRO N#Cc1cc(Cl)c(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164977325 722118460 /nfs/dbraw/zinc/11/84/60/722118460.db2.gz MNKXDUKZMFSQDB-QAPCUYQASA-N 1 0 418.328 3.382 20 30 HGEDRO N#Cc1c(Cl)cc(Cl)nc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971732 722153338 /nfs/dbraw/zinc/15/33/38/722153338.db2.gz DXJOGLGJFBCYGS-YJBOKZPZSA-N 1 0 418.328 3.382 20 30 HGEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CCO[C@H]4C[NH2+]CC[C@H]4C3)c(Cl)nn2)c1 ZINC001164410098 718865721 /nfs/dbraw/zinc/86/57/21/718865721.db2.gz WPIOTEBCCKQHTR-YJBOKZPZSA-N 1 0 419.863 3.028 20 30 HGEDRO C=CCOc1cc(C)nc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)n1 ZINC001164719524 720120962 /nfs/dbraw/zinc/12/09/62/720120962.db2.gz YEGIHHKRZNIEDP-NRFANRHFSA-N 1 0 423.561 3.252 20 30 HGEDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)c(Cl)cc1C#N)CCC2 ZINC001164811999 720224504 /nfs/dbraw/zinc/22/45/04/720224504.db2.gz CIXAFJPCQJWYFR-UHFFFAOYSA-N 1 0 421.332 3.067 20 30 HGEDRO CSc1nc(-c2ccccc2)nc(N2Cc3nccn3C[C@@H](C[NH+](C)C)C2)c1C#N ZINC001164730543 720518636 /nfs/dbraw/zinc/51/86/36/720518636.db2.gz RKXWKXZPXUKOAC-MRXNPFEDSA-N 1 0 419.558 3.132 20 30 HGEDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2ccc(COc3ccc(CC#N)cc3)cn2)C1 ZINC001164735233 720526238 /nfs/dbraw/zinc/52/62/38/720526238.db2.gz WUKOANOLELMGFH-NRFANRHFSA-N 1 0 416.529 3.121 20 30 HGEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc4c(c3C#N)CCCC4)CC[C@@H]21 ZINC001164837529 720647607 /nfs/dbraw/zinc/64/76/07/720647607.db2.gz CHSGPVKYTVGLET-JTAQYXEDSA-N 1 0 404.562 3.406 20 30 HGEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(C#N)c(C#N)nc1Cl)CC2 ZINC001164843848 720690250 /nfs/dbraw/zinc/69/02/50/720690250.db2.gz RJTRMJJDEOMYCH-QGZVFWFLSA-N 1 0 422.920 3.133 20 30 HGEDRO Cc1cccc2nc(Cl)c(C#N)c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164742235 720807358 /nfs/dbraw/zinc/80/73/58/720807358.db2.gz COVILXZDGHZRJN-HOTGVXAUSA-N 1 0 420.904 3.200 20 30 HGEDRO N#Cc1ccc(C(F)(F)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1Cl ZINC001164867554 721048958 /nfs/dbraw/zinc/04/89/58/721048958.db2.gz JPTAKDXVFVPIEC-IAGOWNOFSA-N 1 0 419.863 3.026 20 30 HGEDRO Cc1c(Cl)c(Cl)nc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1C#N ZINC001164766676 721093177 /nfs/dbraw/zinc/09/31/77/721093177.db2.gz LIJNNXANQKAQMB-LSDHHAIUSA-N 1 0 405.333 3.260 20 30 HGEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164864843 721095103 /nfs/dbraw/zinc/09/51/03/721095103.db2.gz GUPFCDFNJSHDPG-DLBZAZTESA-N 1 0 419.863 3.026 20 30 HGEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866161 721120623 /nfs/dbraw/zinc/12/06/23/721120623.db2.gz RMQZNDIXSDOYSA-SJORKVTESA-N 1 0 419.863 3.026 20 30 HGEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866158 721122017 /nfs/dbraw/zinc/12/20/17/721122017.db2.gz RMQZNDIXSDOYSA-DLBZAZTESA-N 1 0 419.863 3.026 20 30 HGEDRO N#Cc1nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)cc1Cl ZINC001164879873 721175767 /nfs/dbraw/zinc/17/57/67/721175767.db2.gz UYKRXPUINZRGTI-CABCVRRESA-N 1 0 404.301 3.135 20 30 HGEDRO C[Si](C)(C)C#Cc1ccnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164875326 721182523 /nfs/dbraw/zinc/18/25/23/721182523.db2.gz KUQXBABMPWSJCE-FCHUYYIVSA-N 1 0 406.606 3.185 20 30 HGEDRO CC1(C)CCCc2cc(C#N)c(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc21 ZINC001164867021 721188083 /nfs/dbraw/zinc/18/80/83/721188083.db2.gz DMZZLDMCSYRSGB-VXKWHMMOSA-N 1 0 417.557 3.442 20 30 HGEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(C#N)c5cc(Cl)ccc5n4)C[C@H]3C2)cn1 ZINC001164760200 721232727 /nfs/dbraw/zinc/23/27/27/721232727.db2.gz DCBRQNAQZIDXRU-FUHWJXTLSA-N 1 0 406.921 3.452 20 30 HGEDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)cc(Cl)c4C#N)C3)O2)CC1 ZINC001164888359 721447751 /nfs/dbraw/zinc/44/77/51/721447751.db2.gz LSEZEMMIZLKXDW-YWZLYKJASA-N 1 0 424.376 3.025 20 30 HGEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(Cl)ncc1C#N)CC2 ZINC001164786006 721452010 /nfs/dbraw/zinc/45/20/10/721452010.db2.gz LUGLVNSIDRMWJN-LJQANCHMSA-N 1 0 418.969 3.341 20 30 HGEDRO N#Cc1cnc(Cl)nc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904883 721693197 /nfs/dbraw/zinc/69/31/97/721693197.db2.gz HLYVZFIEVIPVRK-GOSISDBHSA-N 1 0 404.852 3.134 20 30 HGEDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1cnc(Cl)nc1Oc1cccc(C#N)c1 ZINC001164933295 721888942 /nfs/dbraw/zinc/88/89/42/721888942.db2.gz LNYRVMZTXIKTAW-QZTJIDSGSA-N 1 0 412.925 3.009 20 30 HGEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)c12 ZINC001164932422 721890972 /nfs/dbraw/zinc/89/09/72/721890972.db2.gz HQINBGIEXOLMEU-ROUUACIJSA-N 1 0 401.917 3.422 20 30 HGEDRO Cc1nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c(Cl)cc1C#N ZINC001164966697 722061750 /nfs/dbraw/zinc/06/17/50/722061750.db2.gz WTSHWPLIOZCCOU-UHFFFAOYSA-N 1 0 411.937 3.429 20 30 HGEDRO C=CCOC[C@H]1CCC[C@]12CN(c1cccc(OCC[NH+]3CCCC3)n1)CCO2 ZINC001164978812 722168573 /nfs/dbraw/zinc/16/85/73/722168573.db2.gz SIGJVAMYKKUOCK-OFNKIYASSA-N 1 0 401.551 3.134 20 30 HGEDRO C=CCOC[C@@H]1CCC[C@@]12CN(c1cccc(OCC[NH+]3CCCC3)n1)CCO2 ZINC001164978809 722168727 /nfs/dbraw/zinc/16/87/27/722168727.db2.gz SIGJVAMYKKUOCK-NZQKXSOJSA-N 1 0 401.551 3.134 20 30 HGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)cc1C#N)C2 ZINC001164816825 720149017 /nfs/dbraw/zinc/14/90/17/720149017.db2.gz NAESBHIKHKJROE-VQIMIIECSA-N 1 0 410.896 3.336 20 30 HGEDRO COc1nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(F)cc1C#N ZINC001164839307 720707880 /nfs/dbraw/zinc/70/78/80/720707880.db2.gz KUBXIYHDHCWEKM-LJQANCHMSA-N 1 0 410.493 3.361 20 30 HGEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc3c(cc1C#N)COCC3)CC2 ZINC001164837702 720720158 /nfs/dbraw/zinc/72/01/58/720720158.db2.gz GXGKVQUPYFIDKQ-QFIPXVFZSA-N 1 0 418.541 3.286 20 30 HGEDRO Cc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ccc1C#N ZINC001164755395 720897446 /nfs/dbraw/zinc/89/74/46/720897446.db2.gz LVAHYNGSBSSAQD-ILBGXUMGSA-N 1 0 417.557 3.412 20 30 HGEDRO N#Cc1ccc(C(F)(F)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1Cl ZINC001164867558 721049576 /nfs/dbraw/zinc/04/95/76/721049576.db2.gz JPTAKDXVFVPIEC-SJORKVTESA-N 1 0 419.863 3.026 20 30 HGEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868460 721072303 /nfs/dbraw/zinc/07/23/03/721072303.db2.gz OONAIXMLYGDGKE-HOTGVXAUSA-N 1 0 419.863 3.026 20 30 HGEDRO N#Cc1cc(Cl)c(Cl)nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164864999 721088846 /nfs/dbraw/zinc/08/88/46/721088846.db2.gz HWVVRPVNVAMQGA-JKSUJKDBSA-N 1 0 404.301 3.135 20 30 HGEDRO N#Cc1cc(Cl)nc(C(F)(F)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164865591 721096547 /nfs/dbraw/zinc/09/65/47/721096547.db2.gz NIQZXBFMQDFYSG-IAGOWNOFSA-N 1 0 419.863 3.026 20 30 HGEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(C#N)c5cc(Cl)ccc5n4)C[C@H]3C2)cn1 ZINC001164760201 721233745 /nfs/dbraw/zinc/23/37/45/721233745.db2.gz DCBRQNAQZIDXRU-SJLPKXTDSA-N 1 0 406.921 3.452 20 30 HGEDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc(CC#N)c(C)n3)C2)C1 ZINC001164782982 721368819 /nfs/dbraw/zinc/36/88/19/721368819.db2.gz OOVLZZNRCQPBGV-QHCPKHFHSA-N 1 0 409.534 3.180 20 30 HGEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C#N)cc(Cl)n1)CC2 ZINC001164784291 721447791 /nfs/dbraw/zinc/44/77/91/721447791.db2.gz DRVBUNNBYDYRLG-IBGZPJMESA-N 1 0 418.969 3.341 20 30 HGEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(Cl)cc(C#N)n1)CC2 ZINC001164788689 721457828 /nfs/dbraw/zinc/45/78/28/721457828.db2.gz VNZZSHOPGLIOIP-FQEVSTJZSA-N 1 0 418.969 3.341 20 30 HGEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH]ccc3ncc(C#N)c1-3)CC2 ZINC001164789919 721464687 /nfs/dbraw/zinc/46/46/87/721464687.db2.gz YMYKNJQRYOCGRI-HXUWFJFHSA-N 1 0 423.561 3.168 20 30 HGEDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(-c3cccs3)ccc2C#N)CC1 ZINC001165009475 721746160 /nfs/dbraw/zinc/74/61/60/721746160.db2.gz FNPQYHHCEXPWMR-UHFFFAOYSA-N 1 0 409.559 3.205 20 30 HGEDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc(C#N)c3cc(Cl)ccc3n2)CC1 ZINC001165012189 721748741 /nfs/dbraw/zinc/74/87/41/721748741.db2.gz BPYYFCLGRYFUCK-UHFFFAOYSA-N 1 0 411.937 3.283 20 30 HGEDRO C=CCOc1cc(C)nc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)n1 ZINC001165023167 721841239 /nfs/dbraw/zinc/84/12/39/721841239.db2.gz YGWMYKNTDHIFGD-UHFFFAOYSA-N 1 0 412.534 3.468 20 30 HGEDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2C(F)(F)c1cc(Cl)nc(Cl)c1C#N ZINC001164932651 721849503 /nfs/dbraw/zinc/84/95/03/721849503.db2.gz YZNMSVXAUYTSJW-KGLIPLIRSA-N 1 0 404.292 3.020 20 30 HGEDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1cnc(Cl)nc1Oc1ccc(C#N)cc1 ZINC001164934376 721888830 /nfs/dbraw/zinc/88/88/30/721888830.db2.gz QWMPRWFLXNWAKF-ZWKOTPCHSA-N 1 0 412.925 3.009 20 30 HGEDRO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165048069 721975927 /nfs/dbraw/zinc/97/59/27/721975927.db2.gz IRMSENJYBUJPBP-ROUUACIJSA-N 1 0 407.518 3.255 20 30 HGEDRO C[NH+](C)CCOCc1ncn2c1CN(c1nc3c(cc1C#N)CCCC3(C)C)CCC2 ZINC001165004396 722257984 /nfs/dbraw/zinc/25/79/84/722257984.db2.gz QVFKUEMJNIMDEC-UHFFFAOYSA-N 1 0 422.577 3.252 20 30 HGEDRO Cc1ccc([C@@H](C#N)c2ccc(-n3nc(CN(C)C(C)C)c4c3C[NH2+]CC4)nn2)cc1 ZINC001164685175 719604936 /nfs/dbraw/zinc/60/49/36/719604936.db2.gz SHDFBZPWNWKWEU-HXUWFJFHSA-N 1 0 415.545 3.112 20 30 HGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccc(C#N)c(Cl)n1)C2 ZINC001164813106 720074361 /nfs/dbraw/zinc/07/43/61/720074361.db2.gz SOJUOIVCYXYBFH-LPHOPBHVSA-N 1 0 410.896 3.336 20 30 HGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccnc(Cl)c1C#N)C2 ZINC001164810344 720079640 /nfs/dbraw/zinc/07/96/40/720079640.db2.gz KWKIIHVTYUANKR-KXBFYZLASA-N 1 0 410.896 3.336 20 30 HGEDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2cc(Cl)nc(Cl)c2C#N)C1 ZINC001164727203 720506471 /nfs/dbraw/zinc/50/64/71/720506471.db2.gz BOUATHNHRNPVIO-LLVKDONJSA-N 1 0 415.275 3.199 20 30 HGEDRO N#Cc1cc(C(F)(F)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)cnc1Cl ZINC001164728058 720566291 /nfs/dbraw/zinc/56/62/91/720566291.db2.gz INJAWYJSXVBTJE-UHFFFAOYSA-N 1 0 406.868 3.007 20 30 HGEDRO CC(C)[N@H+]1[C@@H]2CCN(c3nc4c(cc3C#N)CCCC4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841610 720602620 /nfs/dbraw/zinc/60/26/20/720602620.db2.gz TYMWXARRAFJMDJ-FUPPJEDESA-N 1 0 404.562 3.406 20 30 HGEDRO C=CCNC(=O)c1cccnc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164842338 720712097 /nfs/dbraw/zinc/71/20/97/720712097.db2.gz YMUOFHJRHRXYEV-NRFANRHFSA-N 1 0 420.557 3.257 20 30 HGEDRO Cc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(C#N)c1 ZINC001164749988 720874359 /nfs/dbraw/zinc/87/43/59/720874359.db2.gz IFDDPASPJGQGFI-UKILVPOCSA-N 1 0 417.557 3.412 20 30 HGEDRO N#Cc1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1F ZINC001164754049 720889958 /nfs/dbraw/zinc/88/99/58/720889958.db2.gz INOGIXQPPFALGH-XUZZJYLKSA-N 1 0 421.520 3.242 20 30 HGEDRO N#Cc1c(F)ccnc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164758117 720895887 /nfs/dbraw/zinc/89/58/87/720895887.db2.gz WZEOMQARPVBHAU-GBXCKJPGSA-N 1 0 421.520 3.242 20 30 HGEDRO N#Cc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(F)c1 ZINC001164752544 720899594 /nfs/dbraw/zinc/89/95/94/720899594.db2.gz FCNKGAZUYYKWDV-QPPBQGQZSA-N 1 0 421.520 3.242 20 30 HGEDRO N#Cc1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)cnc1Cl ZINC001164863546 721092128 /nfs/dbraw/zinc/09/21/28/721092128.db2.gz CUSLJKNUXBFQTO-MSOLQXFVSA-N 1 0 419.863 3.026 20 30 HGEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866160 721121942 /nfs/dbraw/zinc/12/19/42/721121942.db2.gz RMQZNDIXSDOYSA-IRXDYDNUSA-N 1 0 419.863 3.026 20 30 HGEDRO Cc1cnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c(C#C[Si](C)(C)C)c1 ZINC001164878550 721123529 /nfs/dbraw/zinc/12/35/29/721123529.db2.gz QMWZRYPLBLHIRW-DHIUTWEWSA-N 1 0 420.633 3.494 20 30 HGEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc5ccccc5c(Cl)c4C#N)C[C@H]3C2)cn1 ZINC001164764924 721192830 /nfs/dbraw/zinc/19/28/30/721192830.db2.gz HDPHGVVAHIERSZ-IAGOWNOFSA-N 1 0 406.921 3.452 20 30 HGEDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)c(Cl)cc4C#N)C3)O2)CC1 ZINC001164892959 721412271 /nfs/dbraw/zinc/41/22/71/721412271.db2.gz ZKJDFRFKAFECPZ-UZLBHIALSA-N 1 0 424.376 3.025 20 30 HGEDRO CSc1nc(Cl)c(C#N)c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164898092 721508691 /nfs/dbraw/zinc/50/86/91/721508691.db2.gz HQNKCZZFKDXCTA-ZFWWWQNUSA-N 1 0 419.913 3.205 20 30 HGEDRO N#Cc1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)cc1Cl ZINC001164973819 722151899 /nfs/dbraw/zinc/15/18/99/722151899.db2.gz MHXZWAHLIZIBDY-HNAYVOBHSA-N 1 0 418.328 3.382 20 30 HGEDRO C[Si](C)(C)C#Cc1ccnc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164973033 722153975 /nfs/dbraw/zinc/15/39/75/722153975.db2.gz KHFLGPGSWGBEBS-GOTSBHOMSA-N 1 0 420.633 3.433 20 30 HGEDRO C=CCOC[C@H]1CCC[C@@]12CN(c1cccc(OCC[NH+]3CCCC3)n1)CCO2 ZINC001164978805 722168552 /nfs/dbraw/zinc/16/85/52/722168552.db2.gz SIGJVAMYKKUOCK-NFBKMPQASA-N 1 0 401.551 3.134 20 30 HGEDRO Cc1ccccc1NC(=O)C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cnccn3)no2)C1 ZINC000328605785 569418249 /nfs/dbraw/zinc/41/82/49/569418249.db2.gz PCSLPBWGUWKRMI-OPAMFIHVSA-N 1 0 404.474 3.477 20 30 HGEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(C)cc1C=NO)CC2 ZINC001164710787 720132039 /nfs/dbraw/zinc/13/20/39/720132039.db2.gz COCRJFFLDYMMHJ-OAQYLSRUSA-N 1 0 409.534 3.101 20 30 HGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(C#N)c3cc([N+](=O)[O-])ccc3n1)C2 ZINC001164812829 720196165 /nfs/dbraw/zinc/19/61/65/720196165.db2.gz MJSUDCYVYPWLQY-MBSDFSHPSA-N 1 0 421.501 3.199 20 30 HGEDRO CC(C)[N@H+]1[C@@H]2CCN(c3nc(Cl)c(F)cc3C#N)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834695 720508604 /nfs/dbraw/zinc/50/86/04/720508604.db2.gz HDLRSGHRUAIJMI-SOLBZPMBSA-N 1 0 402.905 3.320 20 30 HGEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736712 720574773 /nfs/dbraw/zinc/57/47/73/720574773.db2.gz RIXLSZFNDPAEBD-UHFFFAOYSA-N 1 0 406.868 3.007 20 30 HGEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncnc3[nH]cc(C#N)c31)CC2 ZINC001164841939 720658306 /nfs/dbraw/zinc/65/83/06/720658306.db2.gz RDPMRUHCCKZRJE-LJQANCHMSA-N 1 0 402.502 3.089 20 30 HGEDRO Cc1nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ccc1C#N ZINC001164755397 720897127 /nfs/dbraw/zinc/89/71/27/720897127.db2.gz LVAHYNGSBSSAQD-UKILVPOCSA-N 1 0 417.557 3.412 20 30 HGEDRO N#Cc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(F)c1 ZINC001164752547 720899470 /nfs/dbraw/zinc/89/94/70/720899470.db2.gz FCNKGAZUYYKWDV-URXFXBBRSA-N 1 0 421.520 3.242 20 30 HGEDRO Cc1cnc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c(C#C[Si](C)(C)C)c1 ZINC001164771509 721176498 /nfs/dbraw/zinc/17/64/98/721176498.db2.gz QSYNQMHTVKIAQF-YADHBBJMSA-N 1 0 407.638 3.311 20 30 HGEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CC[C@H]4[NH2+]CCO[C@H]4C3)cnc2Cl)c1 ZINC001164391999 718826461 /nfs/dbraw/zinc/82/64/61/718826461.db2.gz YWLMECJZVJAHBA-MSOLQXFVSA-N 1 0 404.848 3.386 20 30 HGEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(C#N)c(C#N)nc2Cl)CC3)cs1 ZINC001164694327 719809141 /nfs/dbraw/zinc/80/91/41/719809141.db2.gz VEBDOWIZZLCNDE-UHFFFAOYSA-N 1 0 413.938 3.273 20 30 HGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cnc(Cl)c(C#N)c1)C2 ZINC001164806942 720119118 /nfs/dbraw/zinc/11/91/18/720119118.db2.gz AACUULGGTSGMCD-MJGOQNOKSA-N 1 0 410.896 3.336 20 30 HGEDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(C#N)c(Cl)cc1Cl)CCC2 ZINC001164816017 720243298 /nfs/dbraw/zinc/24/32/98/720243298.db2.gz FIHNGVLWXRMNBC-UHFFFAOYSA-N 1 0 421.332 3.067 20 30 HGEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164724509 720360861 /nfs/dbraw/zinc/36/08/61/720360861.db2.gz KKZSFLODWGHWPB-ROUUACIJSA-N 1 0 411.893 3.032 20 30 HGEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164732626 720559208 /nfs/dbraw/zinc/55/92/08/720559208.db2.gz ANZHJJFTKBBFFT-UHFFFAOYSA-N 1 0 406.868 3.007 20 30 HGEDRO Cc1cccc2nc(Cl)c(C#N)c(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164742233 720807706 /nfs/dbraw/zinc/80/77/06/720807706.db2.gz COVILXZDGHZRJN-CVEARBPZSA-N 1 0 420.904 3.200 20 30 HGEDRO N#Cc1cc(C(F)(F)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)cc(Cl)n1 ZINC001164867247 721084738 /nfs/dbraw/zinc/08/47/38/721084738.db2.gz XMAHTCXMILXJEQ-QZTJIDSGSA-N 1 0 419.863 3.026 20 30 HGEDRO N#Cc1cc(Cl)nc(C(F)(F)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164865592 721096224 /nfs/dbraw/zinc/09/62/24/721096224.db2.gz NIQZXBFMQDFYSG-IRXDYDNUSA-N 1 0 419.863 3.026 20 30 HGEDRO CC1(C)CCCc2cc(C#N)c(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc21 ZINC001164867020 721188966 /nfs/dbraw/zinc/18/89/66/721188966.db2.gz DMZZLDMCSYRSGB-FGZHOGPDSA-N 1 0 417.557 3.442 20 30 HGEDRO N#Cc1nc(Cl)cnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164907104 721692230 /nfs/dbraw/zinc/69/22/30/721692230.db2.gz RTVGMIIZUZRXLH-SFHVURJKSA-N 1 0 404.852 3.134 20 30 HGEDRO Cc1cnc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c(C#C[Si](C)(C)C)c1 ZINC001165010377 721742371 /nfs/dbraw/zinc/74/23/71/721742371.db2.gz MAMSHSMSGNGPFX-UHFFFAOYSA-N 1 0 412.654 3.142 20 30 HGEDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncccc3C#N)CC2)c2ccccc21 ZINC001164681810 719657391 /nfs/dbraw/zinc/65/73/91/719657391.db2.gz RCIGKMZETLBXAB-HXUWFJFHSA-N 1 0 417.557 3.047 20 30 HGEDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)cc(Cl)c1C#N)CCC2 ZINC001164815243 720244245 /nfs/dbraw/zinc/24/42/45/720244245.db2.gz CDKMQQZKVJSQHM-UHFFFAOYSA-N 1 0 421.332 3.067 20 30 HGEDRO Cc1nc(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(C#N)c(C)c1Cl ZINC001164818667 720293883 /nfs/dbraw/zinc/29/38/83/720293883.db2.gz BEHINHPGHIXKKS-RTBURBONSA-N 1 0 415.969 3.135 20 30 HGEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(C#N)c3ccccc3n2)CC1 ZINC001164828754 720338079 /nfs/dbraw/zinc/33/80/79/720338079.db2.gz PTABNZUIQRDEOM-FCHUYYIVSA-N 1 0 403.530 3.018 20 30 HGEDRO N#Cc1c(Cl)c2ccc(F)cc2nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740770 720805177 /nfs/dbraw/zinc/80/51/77/720805177.db2.gz AJEJNAAKAJAWPJ-CABCVRRESA-N 1 0 424.867 3.031 20 30 HGEDRO N#Cc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(F)c1 ZINC001164752548 720899326 /nfs/dbraw/zinc/89/93/26/720899326.db2.gz FCNKGAZUYYKWDV-XUZZJYLKSA-N 1 0 421.520 3.242 20 30 HGEDRO CSc1nc(Cl)c(C=NO)c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164862331 720942559 /nfs/dbraw/zinc/94/25/59/720942559.db2.gz UXKNNCJAYSESAY-LBPRGKRZSA-N 1 0 423.974 3.278 20 30 HGEDRO N#Cc1c(Cl)cc(Cl)nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164872503 721180587 /nfs/dbraw/zinc/18/05/87/721180587.db2.gz HIIOXEBDLYMSPY-GJZGRUSLSA-N 1 0 404.301 3.135 20 30 HGEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc5ccccc5c(Cl)c4C#N)C[C@H]3C2)cn1 ZINC001164764922 721191896 /nfs/dbraw/zinc/19/18/96/721191896.db2.gz HDPHGVVAHIERSZ-DLBZAZTESA-N 1 0 406.921 3.452 20 30 HGEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc4c(cc3C#N)COCC4)C[C@@H]21 ZINC001165021493 721827972 /nfs/dbraw/zinc/82/79/72/721827972.db2.gz FWEKXLFXEMIKNI-JWNTYJGQSA-N 1 0 403.530 3.158 20 30 HGEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)cnc2C#N)CC1 ZINC001165023406 721839576 /nfs/dbraw/zinc/83/95/76/721839576.db2.gz WMIYNUIMXPGHKS-UHFFFAOYSA-N 1 0 401.898 3.120 20 30 HGEDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nc2cc(F)c(F)cc2c(Cl)c1C#N ZINC001164931549 721890907 /nfs/dbraw/zinc/89/09/07/721890907.db2.gz DWHNSSLXCLLWGL-ROUUACIJSA-N 1 0 405.880 3.253 20 30 HGEDRO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001165048065 721975735 /nfs/dbraw/zinc/97/57/35/721975735.db2.gz IRMSENJYBUJPBP-MSOLQXFVSA-N 1 0 407.518 3.255 20 30 HGEDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(C#N)cc2Br)cc1OC ZINC001198230877 1126155847 /nfs/dbraw/zinc/15/58/47/1126155847.db2.gz SWNIAJXSDZKAEY-FQEVSTJZSA-N 1 0 419.319 3.421 20 30 HGEDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2ccc(C#N)cc2OC(F)F)cc1OC ZINC001560184352 1126209822 /nfs/dbraw/zinc/20/98/22/1126209822.db2.gz KTYOEXPCEDEQGR-NRFANRHFSA-N 1 0 406.429 3.260 20 30 HGEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CC[C@H]4[NH2+]CCO[C@H]4C3)cnc2Cl)cc1 ZINC001164389389 718826669 /nfs/dbraw/zinc/82/66/69/718826669.db2.gz IFYPIUPDPHPHJR-MSOLQXFVSA-N 1 0 404.848 3.386 20 30 HGEDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1c(C#N)c(Cl)nc3cccc(C)c31)CC2 ZINC001164692854 719758834 /nfs/dbraw/zinc/75/88/34/719758834.db2.gz WCXBBNJRWMEBCJ-UHFFFAOYSA-N 1 0 411.937 3.249 20 30 HGEDRO Cc1nc(Cl)nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1C#N ZINC001164699172 719892616 /nfs/dbraw/zinc/89/26/16/719892616.db2.gz XWGFZGBTABIJDM-UHFFFAOYSA-N 1 0 403.939 3.243 20 30 HGEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc3c(cc1C#N)CCC3)CC2 ZINC001164712224 720140693 /nfs/dbraw/zinc/14/06/93/720140693.db2.gz LDAGLSKIKWGGGS-JOCHJYFZSA-N 1 0 417.557 3.344 20 30 HGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(C#N)c3cc([N+](=O)[O-])ccc3n1)C2 ZINC001164812819 720197069 /nfs/dbraw/zinc/19/70/69/720197069.db2.gz MJSUDCYVYPWLQY-FDDCHVKYSA-N 1 0 421.501 3.199 20 30 HGEDRO Cc1nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(C#N)c(C)c1Cl ZINC001164818665 720294825 /nfs/dbraw/zinc/29/48/25/720294825.db2.gz BEHINHPGHIXKKS-OALUTQOASA-N 1 0 415.969 3.135 20 30 HGEDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc3cc(F)c(F)cc3c(Cl)c2C#N)C1 ZINC001164735244 720536895 /nfs/dbraw/zinc/53/68/95/720536895.db2.gz NBZQVGLDIDRGCP-GFCCVEGCSA-N 1 0 416.863 3.433 20 30 HGEDRO Cc1c(Cl)c(Cl)nc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1C#N ZINC001164733380 720556094 /nfs/dbraw/zinc/55/60/94/720556094.db2.gz MIMRUJZMWUVKLP-UHFFFAOYSA-N 1 0 405.333 3.424 20 30 HGEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164727870 720568702 /nfs/dbraw/zinc/56/87/02/720568702.db2.gz GCGSBRCXNVWMLJ-UHFFFAOYSA-N 1 0 406.868 3.007 20 30 HGEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc3c(C#N)c[nH]c3n1)CC2 ZINC001164840898 720704388 /nfs/dbraw/zinc/70/43/88/720704388.db2.gz RWDTUOXOFARCOY-IBGZPJMESA-N 1 0 402.502 3.089 20 30 HGEDRO N#Cc1c(Cl)c2ccc(F)cc2nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164740793 720805262 /nfs/dbraw/zinc/80/52/62/720805262.db2.gz AJEJNAAKAJAWPJ-LSDHHAIUSA-N 1 0 424.867 3.031 20 30 HGEDRO CSc1nc(Cl)c(C=NO)c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164862325 720942190 /nfs/dbraw/zinc/94/21/90/720942190.db2.gz UXKNNCJAYSESAY-GFCCVEGCSA-N 1 0 423.974 3.278 20 30 HGEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(-c5ccc(F)cc5)ccc4C#N)C[C@@H]3C2)cn1 ZINC001164762923 721082053 /nfs/dbraw/zinc/08/20/53/721082053.db2.gz FMCGLQJQUMNRMT-SFTDATJTSA-N 1 0 416.504 3.451 20 30 HGEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867003 721094438 /nfs/dbraw/zinc/09/44/38/721094438.db2.gz WLGUOWYUBNJQHV-IAGOWNOFSA-N 1 0 419.863 3.026 20 30 HGEDRO CCCc1cc(C#N)c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1Cl ZINC001164863684 721099992 /nfs/dbraw/zinc/09/99/92/721099992.db2.gz CZEDVKRIRKFCLC-WOJBJXKFSA-N 1 0 411.937 3.434 20 30 HGEDRO N#Cc1c(Cl)nc(C(F)(F)N2CC3(C2)CC[N@H+](CC2CC2)C3)nc1C(F)(F)F ZINC001164774466 721302950 /nfs/dbraw/zinc/30/29/50/721302950.db2.gz CMUMRXWLFMWTPA-UHFFFAOYSA-N 1 0 421.801 3.487 20 30 HGEDRO C=CCNC(=O)c1cccnc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165028319 721823593 /nfs/dbraw/zinc/82/35/93/721823593.db2.gz VLJLBAHMZINOGL-VLCRHTCISA-N 1 0 405.546 3.129 20 30 HGEDRO CNC(=O)C[N@@H+]1CCCC12CCN(c1nc3ccc(C)cc3c(Cl)c1C#N)CC2 ZINC001164692981 719758870 /nfs/dbraw/zinc/75/88/70/719758870.db2.gz WVRHHFHHMUBRBW-UHFFFAOYSA-N 1 0 411.937 3.249 20 30 HGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1c(C#N)cnc3cnc(Cl)cc31)C2 ZINC001164812177 720083585 /nfs/dbraw/zinc/08/35/85/720083585.db2.gz PTRYMVWJGVQPAV-VGSWGCGISA-N 1 0 411.937 3.340 20 30 HGEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)c(C)cc1C#N)CC2 ZINC001164714207 720112640 /nfs/dbraw/zinc/11/26/40/720112640.db2.gz AQMCNKHNFMUFEI-JOCHJYFZSA-N 1 0 405.546 3.473 20 30 HGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1cc(C#N)cc(Cl)n1)C2 ZINC001164812001 720122784 /nfs/dbraw/zinc/12/27/84/720122784.db2.gz NVAOLOWETCRJCC-LPHOPBHVSA-N 1 0 410.896 3.336 20 30 HGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccncc3)ccc1C#N)C2 ZINC001164819475 720161043 /nfs/dbraw/zinc/16/10/43/720161043.db2.gz XIRLMQWTHVNFQE-QPPBQGQZSA-N 1 0 403.530 3.200 20 30 HGEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc(C#N)c(Cl)cc2Cl)CC1 ZINC001164828355 720349327 /nfs/dbraw/zinc/34/93/27/720349327.db2.gz OKQALYMBFBRYBX-QZTJIDSGSA-N 1 0 422.360 3.172 20 30 HGEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164837498 720736497 /nfs/dbraw/zinc/73/64/97/720736497.db2.gz MNIUXNLRMIDESM-UHFFFAOYSA-N 1 0 406.868 3.400 20 30 HGEDRO N#Cc1cc(Cl)nc(C(F)(F)N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)c1 ZINC001164837495 720737970 /nfs/dbraw/zinc/73/79/70/720737970.db2.gz MHRSAYOTKIPMIN-UHFFFAOYSA-N 1 0 406.868 3.400 20 30 HGEDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc4cc(F)ccc4c(Cl)c3C#N)CC[C@@H]2C1 ZINC001164862094 720890924 /nfs/dbraw/zinc/89/09/24/720890924.db2.gz QLBVQOCKTMKNMS-KUHUBIRLSA-N 1 0 418.900 3.072 20 30 HGEDRO COCC[N@@H+]1CCO[C@H]2CN(c3c(C#N)c(Cl)nc4cccc(C)c43)CC[C@@H]2C1 ZINC001164861331 720893230 /nfs/dbraw/zinc/89/32/30/720893230.db2.gz XMLKERSCUBZCBW-APWZRJJASA-N 1 0 414.937 3.242 20 30 HGEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164864845 721094503 /nfs/dbraw/zinc/09/45/03/721094503.db2.gz GUPFCDFNJSHDPG-IRXDYDNUSA-N 1 0 419.863 3.026 20 30 HGEDRO C[Si](C)(C)C#Cc1ccnc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164875330 721182798 /nfs/dbraw/zinc/18/27/98/721182798.db2.gz KUQXBABMPWSJCE-FGZHOGPDSA-N 1 0 406.606 3.185 20 30 HGEDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)c(Cl)cc4C#N)C3)O2)CC1 ZINC001164892957 721412041 /nfs/dbraw/zinc/41/20/41/721412041.db2.gz ZKJDFRFKAFECPZ-OXJNMPFZSA-N 1 0 424.376 3.025 20 30 HGEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH]ccc3ncc(C#N)c1-3)CC2 ZINC001164789918 721464380 /nfs/dbraw/zinc/46/43/80/721464380.db2.gz YMYKNJQRYOCGRI-FQEVSTJZSA-N 1 0 423.561 3.168 20 30 HGEDRO CSc1nc(Cl)c(C#N)c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164898091 721508555 /nfs/dbraw/zinc/50/85/55/721508555.db2.gz HQNKCZZFKDXCTA-UKRRQHHQSA-N 1 0 419.913 3.205 20 30 HGEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(C#N)c(C#N)nc3Cl)C[C@@H]21 ZINC001165029608 721812381 /nfs/dbraw/zinc/81/23/81/721812381.db2.gz ZUDRRVNRFZEEFF-SIXWZSSISA-N 1 0 407.909 3.005 20 30 HGEDRO N#Cc1cc(F)c(Cl)nc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164961897 722051733 /nfs/dbraw/zinc/05/17/33/722051733.db2.gz XQKYHNFZJBRDPU-UHFFFAOYSA-N 1 0 415.900 3.260 20 30 HGEDRO C[NH+](C)Cc1ccnc(N2CCC[C@]3(C2)COCCN(c2cccc(C#N)c2)C3)c1 ZINC001165005623 722258998 /nfs/dbraw/zinc/25/89/98/722258998.db2.gz YNWXYPRSQMOYQE-DEOSSOPVSA-N 1 0 405.546 3.138 20 30 HGEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CCO[C@@H]4C[NH2+]CC[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164406999 718865374 /nfs/dbraw/zinc/86/53/74/718865374.db2.gz IGAAQJIZJWWDPJ-CRAIPNDOSA-N 1 0 419.863 3.028 20 30 HGEDRO CC(C)N(C)Cc1nn(-c2nc(-c3ccc(F)cc3)ccc2C#N)c2c1CC[NH2+]C2 ZINC001164684990 719606325 /nfs/dbraw/zinc/60/63/25/719606325.db2.gz PRWUSIOQYBKBPF-UHFFFAOYSA-N 1 0 404.493 3.431 20 30 HGEDRO N#Cc1cc(C#N)c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1Cl ZINC001164695282 719892331 /nfs/dbraw/zinc/89/23/31/719892331.db2.gz LGEFUCQGXFHTJE-UHFFFAOYSA-N 1 0 413.934 3.411 20 30 HGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1ccnc(Cl)c1C#N)C2 ZINC001164810341 720079897 /nfs/dbraw/zinc/07/98/97/720079897.db2.gz KWKIIHVTYUANKR-BEFAXECRSA-N 1 0 410.896 3.336 20 30 HGEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH]ccc3ncc(C#N)c1-3)CC2 ZINC001164712251 720134286 /nfs/dbraw/zinc/13/42/86/720134286.db2.gz LTFXIQVEGAQQDX-HXUWFJFHSA-N 1 0 416.529 3.337 20 30 HGEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH]ccc3ncc(C#N)c1-3)CC2 ZINC001164712250 720135525 /nfs/dbraw/zinc/13/55/25/720135525.db2.gz LTFXIQVEGAQQDX-FQEVSTJZSA-N 1 0 416.529 3.337 20 30 HGEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(CC#N)c(C)n1)CC2 ZINC001164710394 720144904 /nfs/dbraw/zinc/14/49/04/720144904.db2.gz ATZSLKLCPBDMBE-JOCHJYFZSA-N 1 0 405.546 3.359 20 30 HGEDRO N#Cc1cc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)nc2ccc([N+](=O)[O-])cc12 ZINC001164732037 720476196 /nfs/dbraw/zinc/47/61/96/720476196.db2.gz YHSINKLZXYXSDT-NHCUHLMSSA-N 1 0 400.442 3.263 20 30 HGEDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2cnc(Cl)nc2Oc2cccc(C#N)c2)C1 ZINC001164735552 720533308 /nfs/dbraw/zinc/53/33/08/720533308.db2.gz PLCRRMHUBVJCNE-MRXNPFEDSA-N 1 0 423.908 3.188 20 30 HGEDRO N#Cc1c(Cl)nccc1C(F)(F)N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164733120 720552990 /nfs/dbraw/zinc/55/29/90/720552990.db2.gz JVPMUUULBXXZLR-UHFFFAOYSA-N 1 0 406.868 3.007 20 30 HGEDRO N#Cc1cc(C(F)(F)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc(Cl)n1 ZINC001164727322 720563946 /nfs/dbraw/zinc/56/39/46/720563946.db2.gz DTUMYXFYFMCPDB-UHFFFAOYSA-N 1 0 406.868 3.007 20 30 HGEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc([N+](=O)[O-])cc1C#N)CC2 ZINC001164845351 720684069 /nfs/dbraw/zinc/68/40/69/720684069.db2.gz YMHWNZVAMXYVGZ-HXUWFJFHSA-N 1 0 407.474 3.121 20 30 HGEDRO N#Cc1cc(C(F)(F)N2CCCn3cnc(C[NH2+]C4CCC4)c3C2)cnc1Cl ZINC001164836129 720738788 /nfs/dbraw/zinc/73/87/88/720738788.db2.gz AZYGHSMBDBVUMP-UHFFFAOYSA-N 1 0 406.868 3.400 20 30 HGEDRO Cc1ccc(C#N)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164755248 720878819 /nfs/dbraw/zinc/87/88/19/720878819.db2.gz VHOQLHMKHZWDSX-ZCYQVOJMSA-N 1 0 417.557 3.412 20 30 HGEDRO N#Cc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(F)c1 ZINC001164752550 720899523 /nfs/dbraw/zinc/89/95/23/720899523.db2.gz FCNKGAZUYYKWDV-ZJSXRUAMSA-N 1 0 421.520 3.242 20 30 HGEDRO N#Cc1ccc(C(F)(F)N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1Cl ZINC001164867553 721048873 /nfs/dbraw/zinc/04/88/73/721048873.db2.gz JPTAKDXVFVPIEC-DLBZAZTESA-N 1 0 419.863 3.026 20 30 HGEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(Cl)c(C#N)n1)CC2 ZINC001164789351 721451924 /nfs/dbraw/zinc/45/19/24/721451924.db2.gz UVMSKTNXIQWDGD-SFHVURJKSA-N 1 0 418.969 3.341 20 30 HGEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc3c(cc1C#N)COCC3)CC2 ZINC001164795478 721502261 /nfs/dbraw/zinc/50/22/61/721502261.db2.gz IMUUTHCIBSTZEW-UHFFFAOYSA-N 1 0 403.530 3.302 20 30 HGEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(OC)c(C#N)cc2F)CC1 ZINC001165022045 721843357 /nfs/dbraw/zinc/84/33/57/721843357.db2.gz NWCAXJUKMYWOES-UHFFFAOYSA-N 1 0 414.481 3.219 20 30 HGEDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1cnc(Cl)nc1Oc1cccc(C#N)c1 ZINC001164933294 721888749 /nfs/dbraw/zinc/88/87/49/721888749.db2.gz LNYRVMZTXIKTAW-MSOLQXFVSA-N 1 0 412.925 3.009 20 30 HGEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCC(C[NH+](C)C)CC1 ZINC001165041554 721946685 /nfs/dbraw/zinc/94/66/85/721946685.db2.gz CRXICARJPKSNMV-UHFFFAOYSA-N 1 0 400.857 3.106 20 30 HGEDRO N#CC1(c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2)CCC1 ZINC001164981619 722117325 /nfs/dbraw/zinc/11/73/25/722117325.db2.gz UTBBYFXRHIOYPF-IRLDBZIGSA-N 1 0 403.530 3.149 20 30 HGEDRO N#Cc1c(Cl)cc(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164971731 722153202 /nfs/dbraw/zinc/15/32/02/722153202.db2.gz DXJOGLGJFBCYGS-QAPCUYQASA-N 1 0 418.328 3.382 20 30 HGEDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(C#N)ccc2Br)cc1OC ZINC001460867803 1126192878 /nfs/dbraw/zinc/19/28/78/1126192878.db2.gz KBXWIJUEARGWFD-HXUWFJFHSA-N 1 0 419.319 3.421 20 30 HGEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CCO[C@H]4C[NH2+]CC[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164407004 718865382 /nfs/dbraw/zinc/86/53/82/718865382.db2.gz IGAAQJIZJWWDPJ-QAPCUYQASA-N 1 0 419.863 3.028 20 30 HGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1c(C#N)cnc3cnc(Cl)cc31)C2 ZINC001164812171 720083010 /nfs/dbraw/zinc/08/30/10/720083010.db2.gz PTRYMVWJGVQPAV-JTSKRJEESA-N 1 0 411.937 3.340 20 30 HGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(C(F)(F)c1nc(Cl)ccc1C#N)C2 ZINC001164812013 720122136 /nfs/dbraw/zinc/12/21/36/720122136.db2.gz NYTWLLXGVTYEIH-APWZRJJASA-N 1 0 410.896 3.336 20 30 HGEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc(C#N)c(Cl)cc2Cl)CC1 ZINC001164828354 720349673 /nfs/dbraw/zinc/34/96/73/720349673.db2.gz OKQALYMBFBRYBX-MSOLQXFVSA-N 1 0 422.360 3.172 20 30 HGEDRO N#Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc2ccccc12 ZINC001164748992 720846577 /nfs/dbraw/zinc/84/65/77/720846577.db2.gz VOQHBXGOAVJPPJ-TXTKFYIRSA-N 1 0 413.529 3.077 20 30 HGEDRO Cc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(C#N)c1 ZINC001164749978 720874232 /nfs/dbraw/zinc/87/42/32/720874232.db2.gz IFDDPASPJGQGFI-NOZRDPDXSA-N 1 0 417.557 3.412 20 30 HGEDRO COCC[N@@H+]1CCO[C@H]2CN(c3nc4ccc(C)cc4c(Cl)c3C#N)CC[C@H]2C1 ZINC001164860958 720893170 /nfs/dbraw/zinc/89/31/70/720893170.db2.gz WRWMZKGGRWMOQX-JXFKEZNVSA-N 1 0 414.937 3.242 20 30 HGEDRO COCC[N@@H+]1CCO[C@H]2CN(c3c(C#N)c(Cl)nc4cccc(C)c43)CC[C@H]2C1 ZINC001164861335 720893305 /nfs/dbraw/zinc/89/33/05/720893305.db2.gz XMLKERSCUBZCBW-LPHOPBHVSA-N 1 0 414.937 3.242 20 30 HGEDRO COCC[N@@H+]1CCO[C@@H]2CN(c3c(C#N)c(Cl)nc4cccc(C)c43)CC[C@@H]2C1 ZINC001164861345 720893741 /nfs/dbraw/zinc/89/37/41/720893741.db2.gz XMLKERSCUBZCBW-VQIMIIECSA-N 1 0 414.937 3.242 20 30 HGEDRO Cc1nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)ccc1C#N ZINC001164755398 720897559 /nfs/dbraw/zinc/89/75/59/720897559.db2.gz LVAHYNGSBSSAQD-ZCYQVOJMSA-N 1 0 417.557 3.412 20 30 HGEDRO N#CCc1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164750677 720898817 /nfs/dbraw/zinc/89/88/17/720898817.db2.gz BOYXZYHMJNNMRM-NOZRDPDXSA-N 1 0 417.557 3.298 20 30 HGEDRO Cc1c(Cl)c(Cl)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1C#N ZINC001164869502 721062006 /nfs/dbraw/zinc/06/20/06/721062006.db2.gz TWJDVYBNRDWQRI-HOTGVXAUSA-N 1 0 418.328 3.443 20 30 HGEDRO N#Cc1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)cnc1Cl ZINC001164863550 721090978 /nfs/dbraw/zinc/09/09/78/721090978.db2.gz CUSLJKNUXBFQTO-ROUUACIJSA-N 1 0 419.863 3.026 20 30 HGEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164864846 721094036 /nfs/dbraw/zinc/09/40/36/721094036.db2.gz GUPFCDFNJSHDPG-SJORKVTESA-N 1 0 419.863 3.026 20 30 HGEDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc(Cl)c(Cl)cc4C#N)C3)O2)CC1 ZINC001164892958 721411814 /nfs/dbraw/zinc/41/18/14/721411814.db2.gz ZKJDFRFKAFECPZ-OXQOHEQNSA-N 1 0 424.376 3.025 20 30 HGEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc3[nH]c(C#N)cc3n1)CC2 ZINC001164788834 721465271 /nfs/dbraw/zinc/46/52/71/721465271.db2.gz LQPJFFQHDKLXCZ-HXUWFJFHSA-N 1 0 423.561 3.168 20 30 HGEDRO Cc1cnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(C=NO)c1 ZINC001164907721 721719478 /nfs/dbraw/zinc/71/94/78/721719478.db2.gz SVZJMMKRDDCJBN-HXUWFJFHSA-N 1 0 401.461 3.331 20 30 HGEDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(-c3ccc(F)cc3)ccc2C#N)CC1 ZINC001165008151 721731274 /nfs/dbraw/zinc/73/12/74/721731274.db2.gz KBXVIZUEOZWPQO-UHFFFAOYSA-N 1 0 421.520 3.282 20 30 HGEDRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1cc(F)c(C#N)cc1-c1ccnc(Cl)n1 ZINC001164925991 721865730 /nfs/dbraw/zinc/86/57/30/721865730.db2.gz PNFRDROHMGOPQM-MOPGFXCFSA-N 1 0 414.916 3.022 20 30 HGEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)c12 ZINC001164932423 721890840 /nfs/dbraw/zinc/89/08/40/721890840.db2.gz HQINBGIEXOLMEU-ZWKOTPCHSA-N 1 0 401.917 3.422 20 30 HGEDRO N#Cc1cc2c(nc1N1CCC3(CC1)COCC[N@H+](Cc1ccncc1)C3)CCCC2 ZINC001164959955 722059541 /nfs/dbraw/zinc/05/95/41/722059541.db2.gz AHKROQOWJHMMGL-UHFFFAOYSA-N 1 0 417.557 3.346 20 30 HGEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)cc1F ZINC001164967313 722072785 /nfs/dbraw/zinc/07/27/85/722072785.db2.gz MXSKSLWRVUELHS-IYBDPMFKSA-N 1 0 413.884 3.107 20 30 HGEDRO N#Cc1cc(Cl)c(Cl)nc1N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977321 722118749 /nfs/dbraw/zinc/11/87/49/722118749.db2.gz MNKXDUKZMFSQDB-CRAIPNDOSA-N 1 0 418.328 3.382 20 30 HGEDRO COc1ccc(C[C@](C)(CO)[NH2+]Cc2ccc(C#N)cc2Br)cc1OC ZINC001198230881 1126155889 /nfs/dbraw/zinc/15/58/89/1126155889.db2.gz SWNIAJXSDZKAEY-HXUWFJFHSA-N 1 0 419.319 3.421 20 30 HGEDRO COC1(c2nc(CC(F)(F)F)no2)CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000550916281 569287288 /nfs/dbraw/zinc/28/72/88/569287288.db2.gz ICHBOWMNRNCMLL-UHFFFAOYSA-N 1 0 410.396 3.063 20 30 HGEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1ccc(C#N)c(Cl)n1)C2 ZINC001164813108 720074689 /nfs/dbraw/zinc/07/46/89/720074689.db2.gz SOJUOIVCYXYBFH-VQIMIIECSA-N 1 0 410.896 3.336 20 30 HGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1cnc(Cl)c(C#N)c1)C2 ZINC001164806946 720119347 /nfs/dbraw/zinc/11/93/47/720119347.db2.gz AACUULGGTSGMCD-PKOBYXMFSA-N 1 0 410.896 3.336 20 30 HGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(F)(F)c1nc(Cl)ccc1C#N)C2 ZINC001164812022 720121803 /nfs/dbraw/zinc/12/18/03/720121803.db2.gz NYTWLLXGVTYEIH-QFBILLFUSA-N 1 0 410.896 3.336 20 30 HGEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(CC#N)c(C)n1)CC2 ZINC001164710395 720145549 /nfs/dbraw/zinc/14/55/49/720145549.db2.gz ATZSLKLCPBDMBE-QFIPXVFZSA-N 1 0 405.546 3.359 20 30 HGEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(-c3ccncc3)ccc1C#N)C2 ZINC001164819479 720159958 /nfs/dbraw/zinc/15/99/58/720159958.db2.gz XIRLMQWTHVNFQE-URXFXBBRSA-N 1 0 403.530 3.200 20 30 HGEDRO Cc1nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c(C#N)c(C)c1Cl ZINC001164818664 720294118 /nfs/dbraw/zinc/29/41/18/720294118.db2.gz BEHINHPGHIXKKS-MOPGFXCFSA-N 1 0 415.969 3.135 20 30 HGEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(C#C[Si](C)(C)C)ccn2)CC1 ZINC001164823545 720351879 /nfs/dbraw/zinc/35/18/79/720351879.db2.gz GXFFFCQDCKREBD-VXKWHMMOSA-N 1 0 424.665 3.222 20 30 HGEDRO CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164735336 720415338 /nfs/dbraw/zinc/41/53/38/720415338.db2.gz WHPBEMLGXNKWCK-WOJBJXKFSA-N 1 0 404.518 3.186 20 30 HGEDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2cnc(Cl)nc2Oc2ccccc2C#N)C1 ZINC001164736404 720533280 /nfs/dbraw/zinc/53/32/80/720533280.db2.gz XPGJGVBAMJJCFJ-OAHLLOKOSA-N 1 0 423.908 3.188 20 30 HGEDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2cnc(Cl)nc2Oc2ccccc2C#N)C1 ZINC001164736403 720533319 /nfs/dbraw/zinc/53/33/19/720533319.db2.gz XPGJGVBAMJJCFJ-HNNXBMFYSA-N 1 0 423.908 3.188 20 30 HGEDRO Cc1cnc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)c(C#C[Si](C)(C)C)c1 ZINC001164736601 720576506 /nfs/dbraw/zinc/57/65/06/720576506.db2.gz OPOCMYOHSWDLEZ-UHFFFAOYSA-N 1 0 407.638 3.474 20 30 HGEDRO N#Cc1c(Cl)c2ccc(F)cc2nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164740790 720805364 /nfs/dbraw/zinc/80/53/64/720805364.db2.gz AJEJNAAKAJAWPJ-HUUCEWRRSA-N 1 0 424.867 3.031 20 30 HGEDRO N#Cc1cc(F)cnc1N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755524 720877115 /nfs/dbraw/zinc/87/71/15/720877115.db2.gz YGTRPYWACBDGLW-URXFXBBRSA-N 1 0 421.520 3.242 20 30 HGEDRO Cc1ccc(C#N)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164755246 720878601 /nfs/dbraw/zinc/87/86/01/720878601.db2.gz VHOQLHMKHZWDSX-NOZRDPDXSA-N 1 0 417.557 3.412 20 30 HGEDRO N#Cc1cnc2cnc(Cl)cc2c1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869198 721058009 /nfs/dbraw/zinc/05/80/09/721058009.db2.gz SEKRXJSPWFLILF-QZTJIDSGSA-N 1 0 420.904 3.030 20 30 HGEDRO N#Cc1nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c(Cl)cc1Cl ZINC001164879875 721174617 /nfs/dbraw/zinc/17/46/17/721174617.db2.gz UYKRXPUINZRGTI-GJZGRUSLSA-N 1 0 404.301 3.135 20 30 HGEDRO C[Si](C)(C)C#Cc1ccnc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164875332 721182696 /nfs/dbraw/zinc/18/26/96/721182696.db2.gz KUQXBABMPWSJCE-VXKWHMMOSA-N 1 0 406.606 3.185 20 30 HGEDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc(C#N)c(Cl)cc4Cl)C3)O2)CC1 ZINC001164897244 721445236 /nfs/dbraw/zinc/44/52/36/721445236.db2.gz STYYUXRPPOXTDY-YWZLYKJASA-N 1 0 424.376 3.025 20 30 HGEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C#N)cc(Cl)n1)CC2 ZINC001164784304 721448018 /nfs/dbraw/zinc/44/80/18/721448018.db2.gz DRVBUNNBYDYRLG-LJQANCHMSA-N 1 0 418.969 3.341 20 30 HGEDRO C=CCOc1cc(C)nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164906541 721706917 /nfs/dbraw/zinc/70/69/17/721706917.db2.gz MPVROVLEABGEER-OAQYLSRUSA-N 1 0 415.488 3.483 20 30 HGEDRO COc1nc(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)c(F)cc1C#N ZINC001164940746 721930637 /nfs/dbraw/zinc/93/06/37/721930637.db2.gz ZUEKOGCRUVZFEG-UHFFFAOYSA-N 1 0 410.493 3.281 20 30 HGEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001165048071 721975821 /nfs/dbraw/zinc/97/58/21/721975821.db2.gz IRMSENJYBUJPBP-ZWKOTPCHSA-N 1 0 407.518 3.255 20 30 HGEDRO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2cc(C#N)ccc2Br)cc1OC ZINC001460867802 1126192876 /nfs/dbraw/zinc/19/28/76/1126192876.db2.gz KBXWIJUEARGWFD-FQEVSTJZSA-N 1 0 419.319 3.421 20 30 HGEDRO