smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCOc1ccccc1CNC(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1 ZINC001311361300 1069344578 /nfs/dbraw/zinc/34/45/78/1069344578.db2.gz GUCMWGJAZKNGLL-UWJYYQICSA-N 0 0 459.949 3.752 20 30 JHEDRN CCCCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2C)C1 ZINC001306637277 1069346669 /nfs/dbraw/zinc/34/66/69/1069346669.db2.gz GPXUYOZIDORBMZ-HSZRJFAPSA-N 0 0 488.640 3.820 20 30 JHEDRN CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCCN(c2ccccc2C#N)CC1 ZINC001306639892 1069350588 /nfs/dbraw/zinc/35/05/88/1069350588.db2.gz JNMPMIKEVZADJL-UHFFFAOYSA-N 0 0 451.619 3.975 20 30 JHEDRN CC[C@H](C)NC(=O)c1cccc(CNC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC001311407583 1069365268 /nfs/dbraw/zinc/36/52/68/1069365268.db2.gz LCXMGZKHCGVIIM-KRWDZBQOSA-N 0 0 452.530 3.979 20 30 JHEDRN N#Cc1ccccc1CSCCNC(=O)N(CCO)Cc1cc(Br)cs1 ZINC001311440729 1069381025 /nfs/dbraw/zinc/38/10/25/1069381025.db2.gz IXSWVYCKBPFFMC-UHFFFAOYSA-N 0 0 454.415 3.820 20 30 JHEDRN C=CCn1c2nnc(SCC(=O)N[C@@H]3CCC[C@@H](SCC)C3)n2c2ccccc2c1=O ZINC001306678996 1069403799 /nfs/dbraw/zinc/40/37/99/1069403799.db2.gz KLQBULOGMXSZIU-HZPDHXFCSA-N 0 0 457.625 3.503 20 30 JHEDRN CCCCN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1c1cc(NC)ncn1 ZINC001306691420 1069428945 /nfs/dbraw/zinc/42/89/45/1069428945.db2.gz WAXQOGAFOKVCOG-OAQYLSRUSA-N 0 0 459.602 3.944 20 30 JHEDRN CC[C@@H](C)c1ccc([C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c2cccs2)cc1 ZINC001311591677 1069454268 /nfs/dbraw/zinc/45/42/68/1069454268.db2.gz VVOKBXDDTQUBRG-CTZMOBNVSA-N 0 0 457.621 3.931 20 30 JHEDRN CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CC2=CCCOC2)C1 ZINC001306728964 1069477043 /nfs/dbraw/zinc/47/70/43/1069477043.db2.gz FANJSHOXQYUEAD-CVDCTZTESA-N 0 0 462.598 3.685 20 30 JHEDRN CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC(F)(F)F)C1 ZINC001306734188 1069495984 /nfs/dbraw/zinc/49/59/84/1069495984.db2.gz BOCJAYJZWOSTEM-LJQANCHMSA-N 0 0 478.519 3.876 20 30 JHEDRN CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)COC)C1 ZINC001306735500 1069499954 /nfs/dbraw/zinc/49/99/54/1069499954.db2.gz GXKDBEHBUVRGIB-OAQYLSRUSA-N 0 0 452.603 3.622 20 30 JHEDRN CCCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CC(F)(F)C2)CC1 ZINC001306745571 1069528586 /nfs/dbraw/zinc/52/85/86/1069528586.db2.gz RNHFTJNPPBUYQP-UHFFFAOYSA-N 0 0 456.541 3.995 20 30 JHEDRN CCCCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccncc2Cl)cc1OC ZINC001306749661 1069543278 /nfs/dbraw/zinc/54/32/78/1069543278.db2.gz YPIXXYYCTXYBCX-LJQANCHMSA-N 0 0 482.972 3.958 20 30 JHEDRN CCCN(C)c1nnc(-c2sc(-c3ccccc3)nc2C)n1CCNC(=O)C1N=CC=CC1=O ZINC001306779057 1069574842 /nfs/dbraw/zinc/57/48/42/1069574842.db2.gz FLNNXKNHMBANCF-ZBJSNUHESA-N 0 0 477.594 3.750 20 30 JHEDRN CCc1ccc(N2CCN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC2)cc1Cl ZINC001311849324 1069578529 /nfs/dbraw/zinc/57/85/29/1069578529.db2.gz DTRZJMKNMGEIFT-UHFFFAOYSA-N 0 0 452.990 3.670 20 30 JHEDRN C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)NCc2ccc(OCC#N)cc2)CC1 ZINC001311850831 1069579496 /nfs/dbraw/zinc/57/94/96/1069579496.db2.gz FFADXEHZUFRARP-KRWDZBQOSA-N 0 0 457.372 3.940 20 30 JHEDRN O=C(NCCNC(=O)C1N=CC=CC1=O)NCC1(c2ccc(Cl)cc2Cl)CCCC1 ZINC001311876453 1069591661 /nfs/dbraw/zinc/59/16/61/1069591661.db2.gz BBMBVWRLPMODTC-VHEBQXMUSA-N 0 0 451.354 3.631 20 30 JHEDRN CCO[C@]1(c2nnc(N3CCO[C@H](c4cccc(C#N)c4)C3)n2CCCCSC)CCOC1 ZINC001314147445 1069603066 /nfs/dbraw/zinc/60/30/66/1069603066.db2.gz PCOKWBIJZMESHH-XUZZJYLKSA-N 0 0 471.627 3.523 20 30 JHEDRN CCOc1cc(C)ccc1Cn1c([C@@H](C)CC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC001314156874 1069629728 /nfs/dbraw/zinc/62/97/28/1069629728.db2.gz MASLTKPSASFIMM-IBGZPJMESA-N 0 0 476.629 3.787 20 30 JHEDRN CC[C@H](C#N)Oc1cc(CNC(=O)N2CC(Cc3cc(OC)cc(OC)c3)C2)ccc1OC ZINC001311961848 1069637861 /nfs/dbraw/zinc/63/78/61/1069637861.db2.gz APJZVQRZIIDOJO-HXUWFJFHSA-N 0 0 453.539 3.777 20 30 JHEDRN CC[C@H](C#N)Oc1cc(CNC(=O)N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)ccc1OC ZINC001311962889 1069639192 /nfs/dbraw/zinc/63/91/92/1069639192.db2.gz GVLGZTKJZTWTSP-TZIWHRDSSA-N 0 0 450.539 3.571 20 30 JHEDRN C=CCn1c2nnc(SCC(=O)Nc3cccc(SC)c3C)n2c2ccccc2c1=O ZINC001306818971 1069640401 /nfs/dbraw/zinc/64/04/01/1069640401.db2.gz AZMWFICLHHZREP-UHFFFAOYSA-N 0 0 451.577 3.991 20 30 JHEDRN CCOc1cc(Cn2c([C@H](C)CC)nnc2N2CCN(c3cc(C#N)ccn3)CC2)ccc1OC ZINC001314161614 1069648831 /nfs/dbraw/zinc/64/88/31/1069648831.db2.gz ZFCDTNUCYYEYQJ-LJQANCHMSA-N 0 0 475.597 3.840 20 30 JHEDRN C=CCn1c2nnc(SCC(=O)N[C@@H](C)CCCC(F)(F)F)n2c2ccccc2c1=O ZINC001306835523 1069651001 /nfs/dbraw/zinc/65/10/01/1069651001.db2.gz BREMEBCABWCDHJ-ZDUSSCGKSA-N 0 0 453.490 3.560 20 30 JHEDRN Cc1c(Br)c(C)n(NC(=O)CCCc2ncc(-c3ccccc3)o2)c(=O)c1C#N ZINC001306834444 1069650264 /nfs/dbraw/zinc/65/02/64/1069650264.db2.gz UPGDIRAOBSRDCD-UHFFFAOYSA-N 0 0 455.312 3.847 20 30 JHEDRN CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](CC)[C@@H]2CN(Cc3ccccc3)CCO2)c1 ZINC001312009967 1069666391 /nfs/dbraw/zinc/66/63/91/1069666391.db2.gz OHPKUYZYXUYUJR-GPXOXTDOSA-N 0 0 450.583 3.846 20 30 JHEDRN CC(C)(C)OC(=O)CN1CCC(NC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC001312056330 1069696549 /nfs/dbraw/zinc/69/65/49/1069696549.db2.gz OLMOTSRSEOBYNA-UHFFFAOYSA-N 0 0 454.596 3.892 20 30 JHEDRN CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ncc(CC)s2)cc1OC ZINC001314176764 1069708007 /nfs/dbraw/zinc/70/80/07/1069708007.db2.gz MNDQXLXNEFUESU-QFIPXVFZSA-N 0 0 456.547 3.862 20 30 JHEDRN COc1cc(OC)cc(N2CC[C@@H](NC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)C2=O)c1 ZINC001312206511 1069781556 /nfs/dbraw/zinc/78/15/56/1069781556.db2.gz QSCFSISDSYFABO-HSZRJFAPSA-N 0 0 450.539 3.549 20 30 JHEDRN CCOc1ccc(O[C@H](C)c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC[C@H]2COCCO2)cc1 ZINC001314201736 1069797745 /nfs/dbraw/zinc/79/77/45/1069797745.db2.gz NZMBJHOTPUFKCD-WPWBMXPQSA-N 0 0 469.586 3.752 20 30 JHEDRN CCOc1ccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccsc2)cc1 ZINC001314203938 1069810152 /nfs/dbraw/zinc/81/01/52/1069810152.db2.gz UWNVWWNNKFRBHH-UWJYYQICSA-N 0 0 453.568 3.850 20 30 JHEDRN CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@@H]2CCCCO2)cc1 ZINC001314204263 1069810799 /nfs/dbraw/zinc/81/07/99/1069810799.db2.gz WMAWFWMORCJIEI-DXIQSLLYSA-N 0 0 455.559 3.505 20 30 JHEDRN Cc1ccc(CNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c(OC[C@H]2CCCO2)c1 ZINC001312257403 1069815830 /nfs/dbraw/zinc/81/58/30/1069815830.db2.gz YUKOUUMUEIXGKR-OAQYLSRUSA-N 0 0 452.530 3.595 20 30 JHEDRN C[C@H](Cc1ccccc1Br)NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001312261449 1069819477 /nfs/dbraw/zinc/81/94/77/1069819477.db2.gz FVKNBUNRVVIDBY-QRWLVFNGSA-N 0 0 455.356 3.747 20 30 JHEDRN CCOc1cccc(Cn2c(CC(C)C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)c1OC(F)F ZINC001314209292 1069827954 /nfs/dbraw/zinc/82/79/54/1069827954.db2.gz HULRXIHQCJKYMB-IBGZPJMESA-N 0 0 474.556 3.702 20 30 JHEDRN C=CCC[C@@H](NC(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)c1ccccc1 ZINC001312333516 1069869254 /nfs/dbraw/zinc/86/92/54/1069869254.db2.gz AGIXGZWCZOXYJK-ISKFKSNPSA-N 0 0 453.558 3.850 20 30 JHEDRN COc1cc(CNC(=O)N[C@H]2CC(=O)N(C(C)C)[C@H]2c2ccc(Cl)c(F)c2)ccc1C#N ZINC001312367918 1069891621 /nfs/dbraw/zinc/89/16/21/1069891621.db2.gz SUKFCSRKHIWCFC-UGKGYDQZSA-N 0 0 458.921 3.909 20 30 JHEDRN CCOc1ccccc1OCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCC(F)(F)F ZINC001314225844 1069893090 /nfs/dbraw/zinc/89/30/90/1069893090.db2.gz POLFFRLJPWPPBS-SFHVURJKSA-N 0 0 478.519 3.775 20 30 JHEDRN CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](c1cccnc1)C(C)C ZINC001314226851 1069898361 /nfs/dbraw/zinc/89/83/61/1069898361.db2.gz XIAJTYAMAZLTKH-FCHUYYIVSA-N 0 0 476.581 3.819 20 30 JHEDRN C[C@]1(c2ccccc2Br)NC(=O)N(Cc2ccc(C#N)cc2OC(F)F)C1=O ZINC001307238464 1069910947 /nfs/dbraw/zinc/91/09/47/1069910947.db2.gz DCEYNOAKEBSRIS-LJQANCHMSA-N 0 0 450.239 3.889 20 30 JHEDRN CCOc1ncccc1Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@@H](C#N)C1 ZINC001314232542 1069922501 /nfs/dbraw/zinc/92/25/01/1069922501.db2.gz GIZJVFCURITBKK-NRFANRHFSA-N 0 0 476.581 3.860 20 30 JHEDRN Cc1cc(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)c(C)cc1I ZINC001307294095 1069930095 /nfs/dbraw/zinc/93/00/95/1069930095.db2.gz BLBMEYOEMFBSJA-HXUWFJFHSA-N 0 0 459.287 3.747 20 30 JHEDRN CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)C12CCC2 ZINC001314242936 1069950063 /nfs/dbraw/zinc/95/00/63/1069950063.db2.gz JIRUXWKIMGQVAM-NHCUHLMSSA-N 0 0 464.614 3.905 20 30 JHEDRN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC001312470671 1069957228 /nfs/dbraw/zinc/95/72/28/1069957228.db2.gz PTRHKAFALUSYCI-DOTOQJQBSA-N 0 0 456.465 3.528 20 30 JHEDRN CCOC(=O)[C@H]1CCCc2sc(=O)n(CC(=O)Nc3sc4c(c3C#N)CCCCC4)c21 ZINC001307371516 1069963471 /nfs/dbraw/zinc/96/34/71/1069963471.db2.gz CQGWUTDYYREKQR-AWEZNQCLSA-N 0 0 459.593 3.734 20 30 JHEDRN O=C(COc1c(F)c(F)c([N+](=O)[O-])c(F)c1F)NCCOc1cccc(C(F)(F)F)c1 ZINC001307364997 1069962363 /nfs/dbraw/zinc/96/23/63/1069962363.db2.gz FHTREZRBLPRWES-UHFFFAOYSA-N 0 0 456.270 3.744 20 30 JHEDRN C#CCN(C(=O)N[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC001312515396 1069983440 /nfs/dbraw/zinc/98/34/40/1069983440.db2.gz OSGAXJLEYMFWOU-HUUCEWRRSA-N 0 0 456.408 3.531 20 30 JHEDRN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCN(C(=O)c3ccc(F)cc3F)CC2)c1 ZINC001307447994 1069988639 /nfs/dbraw/zinc/98/86/39/1069988639.db2.gz KTNAQGCWYUVLMN-IBGZPJMESA-N 0 0 454.521 3.675 20 30 JHEDRN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC001312539977 1070001737 /nfs/dbraw/zinc/00/17/37/1070001737.db2.gz XWSJZYKUCGMGTH-OXHPOLQJSA-N 0 0 457.575 3.730 20 30 JHEDRN CCOC1CC(O)(Cn2c(-c3ccc(Br)cc3)nnc2N2CCC(C)(C#N)CC2)C1 ZINC001314261229 1070002827 /nfs/dbraw/zinc/00/28/27/1070002827.db2.gz HNXRSNMOHPSPNL-UHFFFAOYSA-N 0 0 474.403 3.768 20 30 JHEDRN C[C@H](c1nc(-c2cccs2)no1)N1CCN(C(=O)NCc2ccc(C#N)c(Cl)c2)CC1 ZINC001312581047 1070026635 /nfs/dbraw/zinc/02/66/35/1070026635.db2.gz KAAREEIJQYWPNJ-CQSZACIVSA-N 0 0 456.959 3.912 20 30 JHEDRN N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@@H]3CCCO[C@H]3c3ccc(Cl)cc3)C2=O)cc1 ZINC001312626571 1070050238 /nfs/dbraw/zinc/05/02/38/1070050238.db2.gz PEWNUNIBQUGCMH-VSKRKVRLSA-N 0 0 452.942 3.532 20 30 JHEDRN CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)NCc1c(F)cc(F)c(F)c1F ZINC001312626699 1070050462 /nfs/dbraw/zinc/05/04/62/1070050462.db2.gz OTYAWUATZPHQGI-JTQLQIEISA-N 0 0 454.342 3.843 20 30 JHEDRN CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC001312631716 1070054467 /nfs/dbraw/zinc/05/44/67/1070054467.db2.gz IDOPLPVKQINHJQ-QGZVFWFLSA-N 0 0 457.575 3.564 20 30 JHEDRN CCOCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC001314286247 1070059285 /nfs/dbraw/zinc/05/92/85/1070059285.db2.gz RXOWVWJAUWNSOO-RUZDIDTESA-N 0 0 453.587 3.654 20 30 JHEDRN CCOCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(c2ncccc2C#N)CC1 ZINC001314289792 1070068617 /nfs/dbraw/zinc/06/86/17/1070068617.db2.gz MJLZQMUJOXHVOJ-UHFFFAOYSA-N 0 0 493.587 3.652 20 30 JHEDRN C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC001307675172 1070117911 /nfs/dbraw/zinc/11/79/11/1070117911.db2.gz LTAAMIWPOHVSLZ-RISCZKNCSA-N 0 0 456.390 3.731 20 30 JHEDRN C=CCN(C(=O)CN1CCN(C)C(=O)[C@@H]1C)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001307702203 1070135172 /nfs/dbraw/zinc/13/51/72/1070135172.db2.gz IENZKCTZCKHORU-ZDUSSCGKSA-N 0 0 453.395 3.798 20 30 JHEDRN C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001307723975 1070148531 /nfs/dbraw/zinc/14/85/31/1070148531.db2.gz DGTZAXGUIBMPKX-KRWDZBQOSA-N 0 0 459.468 3.823 20 30 JHEDRN CCOCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCC(=O)NC1CCCCC1 ZINC001314348101 1070156630 /nfs/dbraw/zinc/15/66/30/1070156630.db2.gz BWEDEACNPHPUEG-UHFFFAOYSA-N 0 0 480.613 3.573 20 30 JHEDRN CCOCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@](C)(O)c1cc(C)oc1C ZINC001314349257 1070162687 /nfs/dbraw/zinc/16/26/87/1070162687.db2.gz NPNSNYFBARMKNK-AREMUKBSSA-N 0 0 479.581 3.852 20 30 JHEDRN 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CN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001314739968 1070974222 /nfs/dbraw/zinc/97/42/22/1070974222.db2.gz LKAVXOLNAFCHFW-IBGZPJMESA-N 0 0 490.612 3.834 20 30 JHEDRN CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ccn(C)n1 ZINC001314741611 1070979212 /nfs/dbraw/zinc/97/92/12/1070979212.db2.gz VAWWOONRFANEQD-NRFANRHFSA-N 0 0 476.585 3.640 20 30 JHEDRN CCN([C@@H]1CCN(CC(F)(F)F)C1)S(=O)(=O)c1ccc(C(F)(F)C(F)(F)F)cc1 ZINC001309833108 1070989438 /nfs/dbraw/zinc/98/94/38/1070989438.db2.gz MTVQEIHGKIEDQZ-GFCCVEGCSA-N 0 0 454.383 3.988 20 30 JHEDRN COc1c(S(=O)(=O)N[C@@H](C)c2cccc(C#N)c2)cc(Br)c(C)c1[N+](=O)[O-] ZINC001309845594 1070994629 /nfs/dbraw/zinc/99/46/29/1070994629.db2.gz KYHDXCBWKICCPN-NSHDSACASA-N 0 0 454.302 3.586 20 30 JHEDRN N#Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC001309867135 1071000429 /nfs/dbraw/zinc/00/04/29/1071000429.db2.gz FQJOQSJWIOACJC-ZDUSSCGKSA-N 0 0 452.399 3.834 20 30 JHEDRN N#Cc1ccc(N[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3Cl)C2)nc1 ZINC001309879082 1071003705 /nfs/dbraw/zinc/00/37/05/1071003705.db2.gz LSWLQFTXWVGTTD-CQSZACIVSA-N 0 0 455.765 3.634 20 30 JHEDRN CC(C)(Cc1ccc(C#N)cc1)NS(=O)(=O)C[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C1 ZINC001309877392 1071002980 /nfs/dbraw/zinc/00/29/80/1071002980.db2.gz AMVUJKXNRHXXFN-PKTZIBPZSA-N 0 0 469.607 3.894 20 30 JHEDRN COC(=O)c1ccc2[nH]cc(C3CCN(S(=O)(=O)c4c(F)cc(C#N)cc4F)CC3)c2c1 ZINC001309877735 1071003249 /nfs/dbraw/zinc/00/32/49/1071003249.db2.gz RCDVMEPDJDXTMZ-UHFFFAOYSA-N 0 0 459.474 3.673 20 30 JHEDRN C#Cc1ccc(S(=O)(=O)N2CCC(CNC(=O)OC(C)(C)C)(c3ccccc3)CC2)cc1 ZINC001309908612 1071013458 /nfs/dbraw/zinc/01/34/58/1071013458.db2.gz FQJSDFIWCKWMSQ-UHFFFAOYSA-N 0 0 454.592 3.915 20 30 JHEDRN CN(Cc1cnn(C)c1)c1nnc(COc2ccc(C#N)cc2)n1CCOC1CCCCCC1 ZINC001314761053 1071017990 /nfs/dbraw/zinc/01/79/90/1071017990.db2.gz VZAAPXIDSWMBIK-UHFFFAOYSA-N 0 0 463.586 3.838 20 30 JHEDRN CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CCN(S(=O)(=O)c1ccc(C#N)cc1F)CC2 ZINC001309946231 1071025962 /nfs/dbraw/zinc/02/59/62/1071025962.db2.gz MWPIFZSWCUKHLX-LJQANCHMSA-N 0 0 451.564 3.744 20 30 JHEDRN CN(Cc1cnccn1)c1nnc(-c2cccc(C#N)c2)n1CCCCn1cc(Br)cn1 ZINC001314764164 1071024254 /nfs/dbraw/zinc/02/42/54/1071024254.db2.gz RCCFFEMXYVKMLV-UHFFFAOYSA-N 0 0 492.385 3.683 20 30 JHEDRN CN(Cc1ncnn1CC(F)F)c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1CCCCO1 ZINC001314776794 1071049111 /nfs/dbraw/zinc/04/91/11/1071049111.db2.gz BSNUGQFJQYKNLB-IBGZPJMESA-N 0 0 470.528 3.659 20 30 JHEDRN CN(Cc1ncnn1CC(F)F)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(F)(F)C1 ZINC001314778893 1071053293 /nfs/dbraw/zinc/05/32/93/1071053293.db2.gz BZUFHNQBMFARNN-INIZCTEOSA-N 0 0 492.481 3.657 20 30 JHEDRN C#CC[C@H]1CCCN(C(=O)Nc2ccc(NC(=O)c3cccc(S(C)(=O)=O)c3)c(C)c2)C1 ZINC001310013056 1071057837 /nfs/dbraw/zinc/05/78/37/1071057837.db2.gz JJPONIFFMADYNY-SFHVURJKSA-N 0 0 453.564 3.918 20 30 JHEDRN CN(CC1CC(F)C1)c1nnc(COc2ccc(C#N)cc2)n1CCn1cc(Br)cn1 ZINC001314786002 1071063261 /nfs/dbraw/zinc/06/32/61/1071063261.db2.gz RULVGGCYQJNERF-UHFFFAOYSA-N 0 0 488.365 3.572 20 30 JHEDRN CN(CC1CCCC1)c1nnc(COc2ccc(C#N)cc2)n1CC1(NC(=O)OC(C)(C)C)COC1 ZINC001314797450 1071075538 /nfs/dbraw/zinc/07/55/38/1071075538.db2.gz SVASBDMBPYOMRE-UHFFFAOYSA-N 0 0 496.612 3.649 20 30 JHEDRN CC(C)(C)OC(=O)N1CC[C@H](OCC2CCN(C(=O)Nc3ccc(OCC#N)cc3)CC2)C1 ZINC001310037624 1071076745 /nfs/dbraw/zinc/07/67/45/1071076745.db2.gz ZVVJLXLXDWKMJB-NRFANRHFSA-N 0 0 458.559 3.859 20 30 JHEDRN C=CC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001310041755 1071078739 /nfs/dbraw/zinc/07/87/39/1071078739.db2.gz LVGAPRYKJOJCAK-CNNODRBYSA-N 0 0 457.596 3.793 20 30 JHEDRN CN(C[C@H]1CCCOC1)c1nnc(-c2ccc(C#N)cc2)n1Cc1cccnc1OCC(F)F ZINC001314807623 1071096735 /nfs/dbraw/zinc/09/67/35/1071096735.db2.gz VHSPYFHUEVQPDU-GOSISDBHSA-N 0 0 468.508 3.767 20 30 JHEDRN C#CCOc1ccccc1CNC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 ZINC001310072742 1071098400 /nfs/dbraw/zinc/09/84/00/1071098400.db2.gz SWDNLZRXMQMACZ-UHFFFAOYSA-N 0 0 455.580 3.893 20 30 JHEDRN CN(C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCO2)C1)C(=O)OC(C)(C)C ZINC001314808891 1071098991 /nfs/dbraw/zinc/09/89/91/1071098991.db2.gz AJAYMDYPESOMKN-TZIWHRDSSA-N 0 0 466.586 3.689 20 30 JHEDRN CN(C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)C1)C(=O)OC(C)(C)C ZINC001314810527 1071103335 /nfs/dbraw/zinc/10/33/35/1071103335.db2.gz DOSFJHDLONCXAY-SVFBPWRDSA-N 0 0 484.576 3.952 20 30 JHEDRN CCN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001313775700 1071132393 /nfs/dbraw/zinc/13/23/93/1071132393.db2.gz IWAJNKGSPSAKQI-GHTZIAJQSA-N 0 0 468.602 3.983 20 30 JHEDRN CN(CCC(F)(F)F)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1c1cnn(C)c1 ZINC001314822355 1071141439 /nfs/dbraw/zinc/14/14/39/1071141439.db2.gz HCKJGSKTOPNYNZ-GOSISDBHSA-N 0 0 458.492 3.608 20 30 JHEDRN CN1C(=O)NC2(CCN(C(=O)Nc3ccc([C@@H](C#N)c4ccccc4)c(Cl)c3)CC2)C1=O ZINC001310137684 1071146316 /nfs/dbraw/zinc/14/63/16/1071146316.db2.gz FXHWDQCTSHDQFN-SFHVURJKSA-N 0 0 451.914 3.544 20 30 JHEDRN CCN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@](C)(O)c1ccsc1 ZINC001313784398 1071155352 /nfs/dbraw/zinc/15/53/52/1071155352.db2.gz WKBHMKDDTUGALY-ZJSXRUAMSA-N 0 0 467.595 3.703 20 30 JHEDRN CCN(C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cccn2)C1)CC(F)(F)F ZINC001313784652 1071156065 /nfs/dbraw/zinc/15/60/65/1071156065.db2.gz FKMXFYOUZMYURW-HXUWFJFHSA-N 0 0 486.546 3.814 20 30 JHEDRN CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 ZINC001310161610 1071167752 /nfs/dbraw/zinc/16/77/52/1071167752.db2.gz HOKYQBOLARYTGT-UPBVQENGSA-N 0 0 450.605 3.557 20 30 JHEDRN C[S@@](=O)Cc1ccc(CNC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 ZINC001310162065 1071168454 /nfs/dbraw/zinc/16/84/54/1071168454.db2.gz UMOLTNLSJFHZJW-SSEXGKCCSA-N 0 0 457.606 3.902 20 30 JHEDRN CCCOC1(CNC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CCCCC1 ZINC001310162666 1071169138 /nfs/dbraw/zinc/16/91/38/1071169138.db2.gz UUGFCDKNVYEVDY-QQTULTPQSA-N 0 0 450.605 3.750 20 30 JHEDRN CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCCOCc2ccccc2)cc1 ZINC001310166892 1071174428 /nfs/dbraw/zinc/17/44/28/1071174428.db2.gz WIXLYEZAYFQELQ-ROMGYVFFSA-N 0 0 458.584 3.618 20 30 JHEDRN CCO[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 ZINC001310164621 1071171498 /nfs/dbraw/zinc/17/14/98/1071171498.db2.gz KODPPSNQBIGJFV-SCKPWGFFSA-N 0 0 450.605 3.749 20 30 JHEDRN CN(Cc1ccc(F)c(Cl)c1)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 ZINC001310166497 1071173396 /nfs/dbraw/zinc/17/33/96/1071173396.db2.gz JSKJPSMPXUJORK-CLCOLTQESA-N 0 0 452.939 3.956 20 30 JHEDRN C[C@H](O)[C@@H](NC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1)c1ccccc1 ZINC001310181113 1071186639 /nfs/dbraw/zinc/18/66/39/1071186639.db2.gz BDJXTVPZFNCTRJ-HKRHMITLSA-N 0 0 458.584 3.523 20 30 JHEDRN CN(CCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1)CC(F)(F)F ZINC001314850765 1071217851 /nfs/dbraw/zinc/21/78/51/1071217851.db2.gz LZMXVCWYASVZPP-JOCHJYFZSA-N 0 0 499.541 3.598 20 30 JHEDRN CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](COC)C1)C(=O)OC(C)(C)C ZINC001313807659 1071229566 /nfs/dbraw/zinc/22/95/66/1071229566.db2.gz UOYKVLTUCUOGGT-HXUWFJFHSA-N 0 0 468.602 3.937 20 30 JHEDRN N#Cc1ccc(OC(F)F)c(NC(=O)N[C@@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)c1 ZINC001310253232 1071239413 /nfs/dbraw/zinc/23/94/13/1071239413.db2.gz CEDJSSJRCUZLQR-CYBMUJFWSA-N 0 0 454.355 3.801 20 30 JHEDRN CN(CCn1c(-c2cccnc2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)CC(F)(F)F ZINC001314862790 1071257263 /nfs/dbraw/zinc/25/72/63/1071257263.db2.gz IXVKYWXOJWKACB-UHFFFAOYSA-N 0 0 485.514 3.754 20 30 JHEDRN CCN(CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C#N)CC1)C(=O)OC(C)(C)C ZINC001313817508 1071265714 /nfs/dbraw/zinc/26/57/14/1071265714.db2.gz WAZMJZKVEACVBY-UHFFFAOYSA-N 0 0 478.601 3.514 20 30 JHEDRN CN(CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCSC2)C1)C(=O)OC(C)(C)C ZINC001314866306 1071270115 /nfs/dbraw/zinc/27/01/15/1071270115.db2.gz GDHZLWGICNRCMJ-VWLOTQADSA-N 0 0 498.653 3.929 20 30 JHEDRN C#C[C@H](NC(=O)Nc1ccc(CNC(=O)c2ccc(Br)cc2)cc1)[C@@H]1CCCO1 ZINC001310316515 1071298806 /nfs/dbraw/zinc/29/88/06/1071298806.db2.gz JLDCNZLTQGCCSA-PMACEKPBSA-N 0 0 456.340 3.681 20 30 JHEDRN Cc1c(NC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cccc1S(=O)(=O)NC(C)(C)C ZINC001310336048 1071317923 /nfs/dbraw/zinc/31/79/23/1071317923.db2.gz KURPVSQOVGPOBI-FQEVSTJZSA-N 0 0 456.568 3.549 20 30 JHEDRN CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)C1 ZINC001310351016 1071331140 /nfs/dbraw/zinc/33/11/40/1071331140.db2.gz POPZAZGFCODKIU-QHCPKHFHSA-N 0 0 456.550 3.683 20 30 JHEDRN Cn1cc(Br)cc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CCOc1ccc(Cl)cn1 ZINC001314895451 1071328060 /nfs/dbraw/zinc/32/80/60/1071328060.db2.gz PXICEOJSKRXBPY-IBGZPJMESA-N 0 0 494.756 3.615 20 30 JHEDRN CCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)cn1 ZINC001313843614 1071331673 /nfs/dbraw/zinc/33/16/73/1071331673.db2.gz VABCMUAKVKIHCX-NRFANRHFSA-N 0 0 476.585 3.575 20 30 JHEDRN 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JHEDRN CCO[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2c(Cl)cccc2OC)CCOC1 ZINC001314118110 1072019027 /nfs/dbraw/zinc/01/90/27/1072019027.db2.gz BJTPSIDCRRIEAE-PKTZIBPZSA-N 0 0 459.978 3.771 20 30 JHEDRN CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCOc2cccc(Cl)c2)CCOC1 ZINC001314123559 1072028422 /nfs/dbraw/zinc/02/84/22/1072028422.db2.gz QVGWSSUDJROIRN-DHIUTWEWSA-N 0 0 459.978 3.793 20 30 JHEDRN CCO[C@]1(c2nnc(N3CCN(c4ccccc4C#N)CC3)n2CCSCC(C)C)CCOC1 ZINC001314133069 1072045183 /nfs/dbraw/zinc/04/51/83/1072045183.db2.gz GSVXLSMSPVSNKS-RUZDIDTESA-N 0 0 484.670 3.518 20 30 JHEDRN CCc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCCNC(=O)OC(C)(C)C)cc1 ZINC001305948961 1068271085 /nfs/dbraw/zinc/27/10/85/1068271085.db2.gz IRWWIQCLLYLNOB-HXUWFJFHSA-N 0 0 454.575 3.541 20 30 JHEDRN CCc1ccccc1Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1 ZINC001305971832 1068306825 /nfs/dbraw/zinc/30/68/25/1068306825.db2.gz XBNPZIZVOMROAO-NLFFAJNJSA-N 0 0 484.576 3.639 20 30 JHEDRN CCc1nc(C)c(Cn2c(-c3ccc(C#N)cc3)nnc2N(CCNC(C)=O)Cc2ccsc2)o1 ZINC001306005081 1068382238 /nfs/dbraw/zinc/38/22/38/1068382238.db2.gz NZHHBTDVHNGKDG-UHFFFAOYSA-N 0 0 489.605 3.928 20 30 JHEDRN CCc1nc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@H](OC)C2)cs1 ZINC001306039952 1068451415 /nfs/dbraw/zinc/45/14/15/1068451415.db2.gz QLEFCCHOHRYXTG-OXQOHEQNSA-N 0 0 452.584 3.657 20 30 JHEDRN CCc1nn(C)c(CC)c1Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@@H](C)C#N ZINC001306043468 1068460708 /nfs/dbraw/zinc/46/07/08/1068460708.db2.gz QOOXXKXOPPUADA-ZDUSSCGKSA-N 0 0 459.396 3.538 20 30 JHEDRN CCc1nn(C)c(OC)c1Cn1c(-c2ccccc2Br)nnc1N(C)C[C@@H](C)C#N ZINC001306050712 1068482506 /nfs/dbraw/zinc/48/25/06/1068482506.db2.gz STWAFDYLLHPGTA-AWEZNQCLSA-N 0 0 472.391 3.656 20 30 JHEDRN CCc1nn(C)c(OC)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)CC[C@H]1C ZINC001306052100 1068487263 /nfs/dbraw/zinc/48/72/63/1068487263.db2.gz WVITUTGHGZOWOK-QZTJIDSGSA-N 0 0 463.586 3.706 20 30 JHEDRN CCc1nnc(Cn2c(COc3ccc(Br)cc3)nnc2N(C)C[C@@H](C)C#N)s1 ZINC001306061071 1068500092 /nfs/dbraw/zinc/50/00/92/1068500092.db2.gz MGUXQUXPOXFJKM-ZDUSSCGKSA-N 0 0 476.404 3.678 20 30 JHEDRN CCc1nnc(N(CCOC)Cc2ccc(C#N)cc2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001306102644 1068519634 /nfs/dbraw/zinc/51/96/34/1068519634.db2.gz UFFKMQHKXGYCEZ-UHFFFAOYSA-N 0 0 480.613 3.932 20 30 JHEDRN CCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001306217559 1068604760 /nfs/dbraw/zinc/60/47/60/1068604760.db2.gz COZJQHLHJDVCKF-MRXNPFEDSA-N 0 0 479.894 3.744 20 30 JHEDRN CCc1noc(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC[C@@H](COC)C1 ZINC001306238565 1068632295 /nfs/dbraw/zinc/63/22/95/1068632295.db2.gz HQUPORZFGXXJHB-HXUWFJFHSA-N 0 0 464.570 3.889 20 30 JHEDRN CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2ccc(Br)cc2)n1CCNC(=O)C1N=CC=CC1=O ZINC001306291195 1068708709 /nfs/dbraw/zinc/70/87/09/1068708709.db2.gz ZKNUCZPXUCPHCV-XJGHBGDUSA-N 0 0 499.413 3.859 20 30 JHEDRN CC[C@H]1CCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC001306312087 1068730398 /nfs/dbraw/zinc/73/03/98/1068730398.db2.gz METVHZNVSIIJTN-PMACEKPBSA-N 0 0 452.651 3.933 20 30 JHEDRN CC[C@@H]1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 ZINC001306317933 1068739804 /nfs/dbraw/zinc/73/98/04/1068739804.db2.gz TZJQVHYGWCOZOW-VWNXMTODSA-N 0 0 477.657 3.633 20 30 JHEDRN CC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC2CCCCC2)C1 ZINC001306381937 1068813048 /nfs/dbraw/zinc/81/30/48/1068813048.db2.gz IUOVKEVEUWNVDY-IBGZPJMESA-N 0 0 450.587 3.804 20 30 JHEDRN CC(C)Cn1ncc(NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c1C(F)F ZINC001310501316 1068985609 /nfs/dbraw/zinc/98/56/09/1068985609.db2.gz FUTPPUVRHZOVNH-UHFFFAOYSA-N 0 0 456.501 3.871 20 30 JHEDRN COc1cc(C#N)ccc1NC(=O)N1CCC([C@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)CC1 ZINC001310515042 1068995723 /nfs/dbraw/zinc/99/57/23/1068995723.db2.gz JKWRPCPYTDOVJO-UYAOXDASSA-N 0 0 458.559 3.883 20 30 JHEDRN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC001310520537 1068997489 /nfs/dbraw/zinc/99/74/89/1068997489.db2.gz DJOQCVNDOIHVTE-SCLBCKFNSA-N 0 0 455.316 3.799 20 30 JHEDRN CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C12CCC2 ZINC001310546158 1069008452 /nfs/dbraw/zinc/00/84/52/1069008452.db2.gz SXDJBQHMKIKYMQ-ZWKOTPCHSA-N 0 0 454.506 3.840 20 30 JHEDRN C#CCOc1ccccc1NC(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2Cl)CC1 ZINC001310573683 1069026071 /nfs/dbraw/zinc/02/60/71/1069026071.db2.gz ZXNKGPLRWZVPLU-SFHVURJKSA-N 0 0 455.942 3.804 20 30 JHEDRN C#CCOc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccc([C@H](C)CC)cc2)CC1 ZINC001310573587 1069026232 /nfs/dbraw/zinc/02/62/32/1069026232.db2.gz WGFXMBJZNUAVPF-LJQANCHMSA-N 0 0 455.580 3.751 20 30 JHEDRN CCCC(=O)Nc1ccc(Cn2c(N3CC[C@](F)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)cc1 ZINC001306495799 1069040985 /nfs/dbraw/zinc/04/09/85/1069040985.db2.gz UVCMWNSOPDGHNU-DQEYMECFSA-N 0 0 484.576 3.548 20 30 JHEDRN CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CCCS2)C1 ZINC001306498312 1069049473 /nfs/dbraw/zinc/04/94/73/1069049473.db2.gz OBQYKAJOKIDXRX-YKSBVNFPSA-N 0 0 452.628 3.988 20 30 JHEDRN CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(COC)CCC2)C1 ZINC001306500177 1069058591 /nfs/dbraw/zinc/05/85/91/1069058591.db2.gz POZQVNONTBPSIP-OAQYLSRUSA-N 0 0 450.587 3.519 20 30 JHEDRN C=CCN(C(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1CC)[C@@H]1CCS(=O)(=O)C1 ZINC001310681621 1069107159 /nfs/dbraw/zinc/10/71/59/1069107159.db2.gz PWUHVWCTZPLSBH-MRXNPFEDSA-N 0 0 456.490 3.661 20 30 JHEDRN CC[C@H](C#N)Oc1cc(CNC(=O)Nc2nnn(Cc3ccccc3F)c2C)ccc1OC ZINC001310724687 1069136353 /nfs/dbraw/zinc/13/63/53/1069136353.db2.gz LDPGUYXLTQHWMQ-GOSISDBHSA-N 0 0 452.490 3.785 20 30 JHEDRN CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2CCOCC2)C1 ZINC001306519646 1069137765 /nfs/dbraw/zinc/13/77/65/1069137765.db2.gz PZTDRISYGQFGJA-JOCHJYFZSA-N 0 0 464.614 3.766 20 30 JHEDRN CCCC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC[C@@H](F)C2)C1 ZINC001306522071 1069144797 /nfs/dbraw/zinc/14/47/97/1069144797.db2.gz KPQCKWTYZHAYFK-FDFHNCONSA-N 0 0 482.604 4.000 20 30 JHEDRN Cc1ccc(-n2nc(CCCNC(=O)Nc3ccnc(Br)c3)c(C#N)c2N)cc1 ZINC001310772138 1069155963 /nfs/dbraw/zinc/15/59/63/1069155963.db2.gz JUPMXVLOQDPIGJ-UHFFFAOYSA-N 0 0 454.332 3.546 20 30 JHEDRN CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001306530833 1069170421 /nfs/dbraw/zinc/17/04/21/1069170421.db2.gz OLPIXWMLXBTELP-NIYFSFCBSA-N 0 0 466.630 3.745 20 30 JHEDRN COC1(c2noc(CC3CCN(C(=O)Nc4nc(Cl)c(C#N)s4)CC3)n2)CCCC1 ZINC001310858175 1069196736 /nfs/dbraw/zinc/19/67/36/1069196736.db2.gz KMWGGTGTKKBFAR-UHFFFAOYSA-N 0 0 450.952 3.953 20 30 JHEDRN CCC[C@@](C)(O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 ZINC001306545122 1069199905 /nfs/dbraw/zinc/19/99/05/1069199905.db2.gz HBIXOSNDZRKEST-WHCXKFMVSA-N 0 0 480.657 3.946 20 30 JHEDRN CS(=O)(=O)N[C@@H]1CCN(C(=O)Nc2ccc(Sc3ccc(Cl)cc3C#N)cc2)C1 ZINC001310888276 1069211047 /nfs/dbraw/zinc/21/10/47/1069211047.db2.gz FAFMTVCQERYMPC-MRXNPFEDSA-N 0 0 450.973 3.518 20 30 JHEDRN CCn1cc(CNC(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)c(=O)[nH]c1=O ZINC001310924844 1069222822 /nfs/dbraw/zinc/22/28/22/1069222822.db2.gz ZTSNZBINAKWYLF-UHFFFAOYSA-N 0 0 456.318 3.580 20 30 JHEDRN Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 ZINC001310960358 1069234426 /nfs/dbraw/zinc/23/44/26/1069234426.db2.gz JOOUOLXXRWPFAG-UHFFFAOYSA-N 0 0 457.490 3.750 20 30 JHEDRN CCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC001306576122 1069242215 /nfs/dbraw/zinc/24/22/15/1069242215.db2.gz CKIRYXYWHQGRPZ-GJZGRUSLSA-N 0 0 453.486 3.854 20 30 JHEDRN N#Cc1cccnc1NCCNC(=O)Nc1cc(F)c(Cl)cc1I ZINC001311057835 1069260257 /nfs/dbraw/zinc/26/02/57/1069260257.db2.gz OMQXQVYWCZGQLT-UHFFFAOYSA-N 0 0 459.650 3.584 20 30 JHEDRN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(Br)c(C#N)n1 ZINC001311071592 1069264327 /nfs/dbraw/zinc/26/43/27/1069264327.db2.gz HZUMLXPHJZKFNB-GXTWGEPZSA-N 0 0 452.353 3.921 20 30 JHEDRN CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CCCN2C(=O)Nc1ccc(Br)c(C#N)n1 ZINC001311075032 1069264967 /nfs/dbraw/zinc/26/49/67/1069264967.db2.gz VYIFXBHWCKGPDC-GJZGRUSLSA-N 0 0 450.337 3.721 20 30 JHEDRN CCCC(O)(CCC)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC001306597427 1069272766 /nfs/dbraw/zinc/27/27/66/1069272766.db2.gz OWYHWVWCPULJKH-YADHBBJMSA-N 0 0 453.587 3.563 20 30 JHEDRN CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1 ZINC001311127043 1069279856 /nfs/dbraw/zinc/27/98/56/1069279856.db2.gz SSWTVIZKFCRRST-NHCUHLMSSA-N 0 0 450.543 3.809 20 30 JHEDRN N#Cc1cccc([C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C(F)(F)F)c1 ZINC001311144922 1069283587 /nfs/dbraw/zinc/28/35/87/1069283587.db2.gz MQZHFEOFIQKCOC-HXUWFJFHSA-N 0 0 450.436 3.761 20 30 JHEDRN CCCc1nc(C)c(Cn2c(CSc3ccc(C)cc3)nnc2N2CCO[C@@H](C#N)C2)o1 ZINC001306612769 1069291265 /nfs/dbraw/zinc/29/12/65/1069291265.db2.gz NZCINYSSYZRDKP-SFHVURJKSA-N 0 0 452.584 3.905 20 30 JHEDRN C=CCn1c2nnc(SCC(=O)N3CCC[C@H]3c3cccs3)n2c2ccccc2c1=O ZINC000021844993 519273508 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N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1C[C@@H]2COC[C@@H](CC(=O)N3CCC(F)CC3)[C@@H]2C1 ZINC001164897025 721476541 /nfs/dbraw/zinc/47/65/41/721476541.db2.gz ZRPVSQATWACVSV-IOASZLSFSA-N 0 0 491.341 3.854 20 30 JHEDRN N#Cc1ccc(-c2cc(C(F)(F)N3Cc4nccn4C[C@H](Cn4cccn4)C3)c(Cl)nn2)cc1 ZINC001164895954 721487969 /nfs/dbraw/zinc/48/79/69/721487969.db2.gz ONVOGAOYGYPBEC-KRWDZBQOSA-N 0 0 480.910 3.943 20 30 JHEDRN COc1cccc(CN2C[C@H]3CCN(C(F)(F)c4cc(Cl)nc(C#N)c4)CC[C@H]3S2(=O)=O)c1 ZINC001164811886 721592629 /nfs/dbraw/zinc/59/26/29/721592629.db2.gz YWBYVFDCHNMZDG-OXQOHEQNSA-N 0 0 496.967 3.591 20 30 JHEDRN COc1cccc(CN2C[C@@H]3CCN(C(F)(F)c4cnc(Cl)cc4C#N)CC[C@@H]3S2(=O)=O)c1 ZINC001164801768 721592712 /nfs/dbraw/zinc/59/27/12/721592712.db2.gz FPVNJAQBSGVNDQ-JXFKEZNVSA-N 0 0 496.967 3.591 20 30 JHEDRN CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[C@@]2(CCCN2C(=O)C(C)C)C1 ZINC001165009115 721725763 /nfs/dbraw/zinc/72/57/63/721725763.db2.gz UOAQKGXFHBODQP-FQEVSTJZSA-N 0 0 454.905 3.556 20 30 JHEDRN COc1cc(C(F)(F)N2CCO[C@@H]3[C@@H](COCc4nccs4)CC[C@@H]32)c(C#N)c(Cl)n1 ZINC001164917604 721810478 /nfs/dbraw/zinc/81/04/78/721810478.db2.gz NTFZSBTXAVPXAI-HNJNHCNJSA-N 0 0 470.929 3.817 20 30 JHEDRN COCCN1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(C#N)c4)c3)CC[C@H]2C1=O ZINC001164922911 721845405 /nfs/dbraw/zinc/84/54/05/721845405.db2.gz SGOSGXLRPNXMLA-TZIWHRDSSA-N 0 0 490.938 3.519 20 30 JHEDRN CN(C)C(=O)N[C@@H]1CCO[C@@]2(CCN(C(F)(F)c3cc(-c4ccc(C#N)cc4)nnc3Cl)C2)C1 ZINC001164952779 722011186 /nfs/dbraw/zinc/01/11/86/722011186.db2.gz BHNIQKUYQHRRAG-VGSWGCGISA-N 0 0 490.942 3.613 20 30 JHEDRN CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCO[C@@H]2[C@H](Oc3ncccc3F)CC[C@@H]21 ZINC001164956299 722029138 /nfs/dbraw/zinc/02/91/38/722029138.db2.gz DLZWTSUOHFNIOI-BBWFWOEESA-N 0 0 496.873 3.678 20 30 JHEDRN CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCC2(CC1)Cc1ccccc1CNC2=O ZINC001164967710 722078452 /nfs/dbraw/zinc/07/84/52/722078452.db2.gz JZGBEPYNMFNDQM-UHFFFAOYSA-N 0 0 488.922 3.787 20 30 JHEDRN CN1c2ccccc2[C@]2(CCN(C(F)(F)c3nc(Cl)c(C#N)c(C(F)(F)F)n3)C2)C1=O ZINC001164981897 722163024 /nfs/dbraw/zinc/16/30/24/722163024.db2.gz SVXZQICBHJEFKF-QGZVFWFLSA-N 0 0 457.790 3.690 20 30 JHEDRN C=CCOC[C@H]1CCC[C@@]12CN(c1nc(CN3CCOCC3)nc3sc4c(c31)CCCC4)CCO2 ZINC001164976960 722168983 /nfs/dbraw/zinc/16/89/83/722168983.db2.gz LQJKKATVHZGGCH-NFQMXDRXSA-N 0 0 498.693 3.980 20 30 JHEDRN COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CC[C@@H]2[C@H](CC1)OCCN2Cc1csc(C)n1 ZINC001164994143 722184057 /nfs/dbraw/zinc/18/40/57/722184057.db2.gz YJAJIVUFBDEZEH-YADHBBJMSA-N 0 0 498.725 3.732 20 30 JHEDRN Cc1nc(CN2CCO[C@@H]3CCN(c4cc(C#N)c5cc([N+](=O)[O-])ccc5n4)CC[C@@H]32)cs1 ZINC001164993075 722186405 /nfs/dbraw/zinc/18/64/05/722186405.db2.gz YSBNFECNWXHXCY-FCHUYYIVSA-N 0 0 464.551 3.649 20 30 JHEDRN CC(C)NC(=O)[C@H]1C[C@@H]2[C@H](C1)OCCN2C(F)(F)c1cc(-c2cccc(C#N)c2)nnc1Cl ZINC001164997501 722217161 /nfs/dbraw/zinc/21/71/61/722217161.db2.gz QXQHEFOLGKYTIK-DBVUQKKJSA-N 0 0 475.927 3.722 20 30 JHEDRN N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(F)(F)COc4ccc(Cl)nn4)C3)C2)c1 ZINC001165004612 722258885 /nfs/dbraw/zinc/25/88/85/722258885.db2.gz QXPPLRBVNXGDPY-NRFANRHFSA-N 0 0 463.916 3.592 20 30 JHEDRN C[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C#N)c2)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165010422 722274363 /nfs/dbraw/zinc/27/43/63/722274363.db2.gz WHDQUGVCAXQSNE-CFCCAZDESA-N 0 0 461.900 3.949 20 30 JHEDRN