smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCSC2)CCN1CCOC ZINC001306623677 1069316007 /nfs/dbraw/zinc/31/60/07/1069316007.db2.gz ULQWCRVMWBBQJK-GGAORHGYSA-N 0 3 468.671 3.897 20 30 JHEDHN CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCSC2)CCN1CCOC ZINC001306623679 1069316183 /nfs/dbraw/zinc/31/61/83/1069316183.db2.gz ULQWCRVMWBBQJK-JTHBVZDNSA-N 0 3 468.671 3.897 20 30 JHEDHN C#C[C@@H]1CCCN(C(=O)NCC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)C1 ZINC001312850977 1070155182 /nfs/dbraw/zinc/15/51/82/1070155182.db2.gz IGUCPYZSZNXACI-OAQYLSRUSA-N 0 3 454.615 3.601 20 30 JHEDHN O=C(N1CCc2ccc([C@@H](O)CN3CCC4(CC3)C(F)(F)C4(F)F)cc2C1)C(F)(F)F ZINC001307902825 1070232611 /nfs/dbraw/zinc/23/26/11/1070232611.db2.gz BVMIIGDFZZKFSW-HNNXBMFYSA-N 0 3 454.386 3.533 20 30 JHEDHN C#CCOc1ccc(Br)cc1CNC[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1 ZINC001308514135 1070383917 /nfs/dbraw/zinc/38/39/17/1070383917.db2.gz VKINAWGNGSUMSR-NRFANRHFSA-N 0 3 453.377 3.577 20 30 JHEDHN CN(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)c1ccsc1 ZINC001314647745 1070750681 /nfs/dbraw/zinc/75/06/81/1070750681.db2.gz DCQXEMNFNPLSMY-QFIPXVFZSA-N 0 3 491.665 3.876 20 30 JHEDHN CN(C)[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](C#N)C1)c1cccs1 ZINC001314650261 1070757933 /nfs/dbraw/zinc/75/79/33/1070757933.db2.gz ZFIRTBWLCPTDRE-ZWKOTPCHSA-N 0 3 487.427 3.801 20 30 JHEDHN CN(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)(C)C)c1cccs1 ZINC001314708026 1070880605 /nfs/dbraw/zinc/88/06/05/1070880605.db2.gz ZYRRCUOCHVIIGJ-IBGZPJMESA-N 0 3 465.627 3.532 20 30 JHEDHN CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2cc(C)oc2C)C[C@@H]1C ZINC001313868328 1071404660 /nfs/dbraw/zinc/40/46/60/1071404660.db2.gz NWQRTGZUTAQUFT-QSAFDGGLSA-N 0 3 462.598 3.853 20 30 JHEDHN CCN1CCN(Cc2ccc(CNC(=O)N[C@@H](c3cccc(C#N)c3)C(F)(F)F)cc2)CC1 ZINC001311144477 1069283503 /nfs/dbraw/zinc/28/35/03/1069283503.db2.gz IFQVSDKGJCPGFN-QFIPXVFZSA-N 0 3 459.516 3.799 20 30 JHEDHN N#CC(c1nc2ccccc2nc1N1CCN(C2CCCC2)CC1)S(=O)(=O)c1ccccc1 ZINC001165032629 721860161 /nfs/dbraw/zinc/86/01/61/721860161.db2.gz VCNPIUKZRMADOL-HSZRJFAPSA-N 0 3 461.591 3.733 20 30 JHEDHN Cc1ccc([C@H](C#N)c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nn2)cc1 ZINC001164984284 722102681 /nfs/dbraw/zinc/10/26/81/722102681.db2.gz SBROEIYUKBPFNQ-RMTZWNOUSA-N 0 3 454.578 3.563 20 30 JHEDHN CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CC(F)(F)C2)CCN1CCOC ZINC001306622052 1069311504 /nfs/dbraw/zinc/31/15/04/1069311504.db2.gz GXNZXAXUADWYCH-NRFANRHFSA-N 0 3 458.557 3.799 20 30 JHEDHN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](NCC(=O)NCc2ccc(C#N)cc2)C1 ZINC001307919420 1070241481 /nfs/dbraw/zinc/24/14/81/1070241481.db2.gz SZLHVFUCJIASDB-DHIUTWEWSA-N 0 3 466.557 3.696 20 30 JHEDHN CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@H](c1cccs1)N(C)C ZINC001314392442 1070248475 /nfs/dbraw/zinc/24/84/75/1070248475.db2.gz YQXKYPXNVLMMOL-OAQYLSRUSA-N 0 3 483.617 3.516 20 30 JHEDHN CN(C)c1ccc([C@@H](CNC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)N(C)C)cc1 ZINC001313410809 1070351646 /nfs/dbraw/zinc/35/16/46/1070351646.db2.gz FMMPBIRKWLAPQL-HSZRJFAPSA-N 0 3 453.562 3.619 20 30 JHEDHN CN(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C#N)CC1)c1cccs1 ZINC001314656768 1070775611 /nfs/dbraw/zinc/77/56/11/1070775611.db2.gz SDGPJDRIMCRTKT-HXUWFJFHSA-N 0 3 478.670 3.824 20 30 JHEDHN CCN(CC)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC1)c1ccsc1 ZINC001313672856 1070905094 /nfs/dbraw/zinc/90/50/94/1070905094.db2.gz BNHPWXWAELQYPU-JOCHJYFZSA-N 0 3 466.611 3.710 20 30 JHEDHN CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2cc(C)oc2C)C[C@H]1C ZINC001313868330 1071404496 /nfs/dbraw/zinc/40/44/96/1071404496.db2.gz NWQRTGZUTAQUFT-ZENTWMBTSA-N 0 3 462.598 3.853 20 30 JHEDHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(Br)s3)nnc2N(C)[C@H](C)CC#N)CC1 ZINC001313922345 1071564339 /nfs/dbraw/zinc/56/43/39/1071564339.db2.gz WAAVAPPWPRFQHT-CVEARBPZSA-N 0 3 480.480 3.533 20 30 JHEDHN CCN1CCN([C@@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[C@](C)(C#N)C2)CC1 ZINC001313929969 1071588109 /nfs/dbraw/zinc/58/81/09/1071588109.db2.gz UMNNLURVSRCDJN-NBGIEHNGSA-N 0 3 470.065 3.678 20 30 JHEDHN CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001314028088 1071794301 /nfs/dbraw/zinc/79/43/01/1071794301.db2.gz PVECORUCBQRGTC-ZRCGQRJVSA-N 0 3 481.645 3.896 20 30 JHEDHN CCOC(=O)c1c(NC(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)c(C#N)cn1CC ZINC001310893332 1069212225 /nfs/dbraw/zinc/21/22/25/1069212225.db2.gz LLTSOOUNNJHOOV-HXUWFJFHSA-N 0 3 455.559 3.768 20 30 JHEDHN CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncccc2C)CCN1CCOC ZINC001306620300 1069305859 /nfs/dbraw/zinc/30/58/59/1069305859.db2.gz OKLIOHPKPFOIPV-HSZRJFAPSA-N 0 3 459.598 3.506 20 30 JHEDHN CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOC(C)(C)C)CCN1CCOC ZINC001306621317 1069309626 /nfs/dbraw/zinc/30/96/26/1069309626.db2.gz AKGYGKHRIIXTHS-QFIPXVFZSA-N 0 3 454.619 3.569 20 30 JHEDHN Cc1ccc([C@H](C#N)c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)cc1 ZINC001164984282 722102448 /nfs/dbraw/zinc/10/24/48/722102448.db2.gz SBROEIYUKBPFNQ-GNKBHMEESA-N 0 3 454.578 3.563 20 30 JHEDHN N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973039 722155446 /nfs/dbraw/zinc/15/54/46/722155446.db2.gz KJBOEUUFHYRDPH-NZQKXSOJSA-N 0 3 476.968 3.916 20 30 JHEDHN CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CC(F)(F)C2)CCN1CCOC ZINC001306622053 1069311381 /nfs/dbraw/zinc/31/13/81/1069311381.db2.gz GXNZXAXUADWYCH-OAQYLSRUSA-N 0 3 458.557 3.799 20 30 JHEDHN C=C(C)CN1CCC(NC(=O)N[C@H](C)CCc2ccc(I)cc2)CC1 ZINC001311891406 1069600504 /nfs/dbraw/zinc/60/05/04/1069600504.db2.gz LFADFXVOOFDTCN-MRXNPFEDSA-N 0 3 455.384 3.952 20 30 JHEDHN CCOC1CC(CCn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)N(CC)C[C@@H]2C)C1 ZINC001314237703 1069936069 /nfs/dbraw/zinc/93/60/69/1069936069.db2.gz FVZBGPGIHHWWRW-XIXYPUAESA-N 0 3 466.630 3.853 20 30 JHEDHN Cc1cc(S(=O)(=O)NCCNCc2cccc(OCc3cccc(C#N)c3)c2)c(C)s1 ZINC001308337313 1070358696 /nfs/dbraw/zinc/35/86/96/1070358696.db2.gz OBPGVNYTNBLZKG-UHFFFAOYSA-N 0 3 455.605 3.884 20 30 JHEDHN CN(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)c1ccsc1 ZINC001314647744 1070750801 /nfs/dbraw/zinc/75/08/01/1070750801.db2.gz DCQXEMNFNPLSMY-JOCHJYFZSA-N 0 3 491.665 3.876 20 30 JHEDHN CN(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C#N)CC1)c1cccs1 ZINC001314656767 1070775634 /nfs/dbraw/zinc/77/56/34/1070775634.db2.gz SDGPJDRIMCRTKT-FQEVSTJZSA-N 0 3 478.670 3.824 20 30 JHEDHN CCN(CC)[C@@H](Cn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)c1ccsc1 ZINC001313666141 1070883532 /nfs/dbraw/zinc/88/35/32/1070883532.db2.gz ULWAXJWBVGITOQ-KNQAVFIVSA-N 0 3 493.685 3.923 20 30 JHEDHN CCN1C[C@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2ccc(C#N)o2)C[C@H]1C ZINC001313859190 1071362670 /nfs/dbraw/zinc/36/26/70/1071362670.db2.gz FLCYFHATRKRJMH-CVEARBPZSA-N 0 3 456.497 3.978 20 30 JHEDHN CCN1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCCC(F)(F)F)C[C@H]1C ZINC001313873561 1071425811 /nfs/dbraw/zinc/42/58/11/1071425811.db2.gz DDAHYSSGNCCJFX-IAGOWNOFSA-N 0 3 450.509 3.990 20 30 JHEDHN CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001313924438 1071570149 /nfs/dbraw/zinc/57/01/49/1071570149.db2.gz FVRNXAPQPDPUKB-RXVVDRJESA-N 0 3 475.563 3.621 20 30 JHEDHN CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001313924439 1071570450 /nfs/dbraw/zinc/57/04/50/1071570450.db2.gz FVRNXAPQPDPUKB-WIYYLYMNSA-N 0 3 475.563 3.621 20 30 JHEDHN CCN1CCN([C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001313927230 1071579333 /nfs/dbraw/zinc/57/93/33/1071579333.db2.gz JAQPSEHIAXRKKE-QHCPKHFHSA-N 0 3 479.673 3.630 20 30 JHEDHN CCN1CCN(CCCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCC[C@H](C)C2)CC1 ZINC001313961520 1071672729 /nfs/dbraw/zinc/67/27/29/1071672729.db2.gz UCKLOHGDOKQJCN-UPVQGACJSA-N 0 3 479.673 3.771 20 30 JHEDHN CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001314028086 1071794330 /nfs/dbraw/zinc/79/43/30/1071794330.db2.gz PVECORUCBQRGTC-SXWKCWPCSA-N 0 3 481.645 3.896 20 30 JHEDHN COc1cc(C(F)(F)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c(C#N)c(Cl)n1 ZINC001164962382 722057608 /nfs/dbraw/zinc/05/76/08/722057608.db2.gz DKHZTWKYDNZXMW-UHFFFAOYSA-N 0 3 477.943 3.674 20 30 JHEDHN N#CCc1ccc(OCc2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc2)cc1 ZINC001164977037 722143675 /nfs/dbraw/zinc/14/36/75/722143675.db2.gz HYJBOYUQPPPJIM-VPUSJEBWSA-N 0 3 469.589 3.849 20 30 JHEDHN C=CCN(C)CCN(CC)Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1 ZINC001307729686 1070153912 /nfs/dbraw/zinc/15/39/12/1070153912.db2.gz NWABDDVXELRCPX-UHFFFAOYSA-N 0 3 458.198 3.800 20 30 JHEDHN CCN(CC)[C@H](CNS(=O)(=O)c1ccc(C#N)c(Br)c1)Cc1ccccc1 ZINC001309030486 1070496201 /nfs/dbraw/zinc/49/62/01/1070496201.db2.gz CDAARHQDOZJECJ-SFHVURJKSA-N 0 3 450.402 3.552 20 30 JHEDHN CCSCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001314614584 1070683626 /nfs/dbraw/zinc/68/36/26/1070683626.db2.gz ZKPBPBBARYRSSM-HSZRJFAPSA-N 0 3 467.687 3.565 20 30 JHEDHN CCN(CC)[C@H](Cn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1C(C)(C)C)c1ccco1 ZINC001313674463 1070912166 /nfs/dbraw/zinc/91/21/66/1070912166.db2.gz JWGFZLUDCQYZGV-OAQYLSRUSA-N 0 3 476.629 3.845 20 30 JHEDHN CCN(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)c1ccco1 ZINC001313678406 1070929083 /nfs/dbraw/zinc/92/90/83/1070929083.db2.gz OHHMUIDBWZYNTL-SFTDATJTSA-N 0 3 453.635 3.719 20 30 JHEDHN COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NS(=O)(=O)CC2(C#N)CCCC2)cc1 ZINC001309749051 1070952512 /nfs/dbraw/zinc/95/25/12/1070952512.db2.gz GCPJBDOUZULZGB-BJKOFHAPSA-N 0 3 453.608 3.667 20 30 JHEDHN CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCOc2ncccc2Cl)C[C@H]1C ZINC001313864954 1071389397 /nfs/dbraw/zinc/38/93/97/1071389397.db2.gz ZSRQEXCQUVTVBW-MSOLQXFVSA-N 0 3 465.989 3.863 20 30 JHEDHN CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2cc(C)oc2C)C[C@H]1C ZINC001313868327 1071404335 /nfs/dbraw/zinc/40/43/35/1071404335.db2.gz NWQRTGZUTAQUFT-FIAZIHOUSA-N 0 3 462.598 3.853 20 30 JHEDHN CCN1CCN([C@H](C)Cn2c(-c3cc(C)n(-c4ccccc4)c3C)nnc2N(C)C[C@@H](C)C#N)CC1 ZINC001313922504 1071564233 /nfs/dbraw/zinc/56/42/33/1071564233.db2.gz WTRXMHHYLHNROM-JTHBVZDNSA-N 0 3 488.684 3.975 20 30 JHEDHN CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](c2ccsc2)N(C)C)C[C@@H]1C ZINC001313942407 1071620305 /nfs/dbraw/zinc/62/03/05/1071620305.db2.gz IWKPILKLZGIRIY-CVDCTZTESA-N 0 3 479.654 3.624 20 30 JHEDHN CCN1CCN(CCCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC(CC#N)CC2)CC1 ZINC001313961226 1071672171 /nfs/dbraw/zinc/67/21/71/1071672171.db2.gz RQTDMGKXQDEQMF-OAQYLSRUSA-N 0 3 483.636 3.715 20 30 JHEDHN CCN1CCN(Cc2ccc(CNC(=O)N[C@H](c3cccc(C#N)c3)C(F)(F)F)cc2)CC1 ZINC001311144476 1069283574 /nfs/dbraw/zinc/28/35/74/1069283574.db2.gz IFQVSDKGJCPGFN-JOCHJYFZSA-N 0 3 459.516 3.799 20 30 JHEDHN N#Cc1cnc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c2cc(-c3ccccc3)sc21 ZINC001164738170 720707361 /nfs/dbraw/zinc/70/73/61/720707361.db2.gz ILSLZGUFTXEJIQ-UXHICEINSA-N 0 3 454.559 3.967 20 30 JHEDHN N#CCc1ccc(OCc2ccc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2)cc1 ZINC001164881144 721151653 /nfs/dbraw/zinc/15/16/53/721151653.db2.gz ZGZWTMWHLFANCR-AOYPEHQESA-N 0 3 455.562 3.601 20 30 JHEDHN N#CCc1ccc(OCc2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc2)cc1 ZINC001164977036 722144146 /nfs/dbraw/zinc/14/41/46/722144146.db2.gz HYJBOYUQPPPJIM-BDYUSTAISA-N 0 3 469.589 3.849 20 30 JHEDHN COc1cc(OC)cc(N2CCCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)c1 ZINC001307580401 1070062587 /nfs/dbraw/zinc/06/25/87/1070062587.db2.gz DEWXEFJSXMWZEO-UHFFFAOYSA-N 0 3 454.596 3.667 20 30 JHEDHN C#C[C@H]1CCCN(C(=O)NCC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)C1 ZINC001312850976 1070155250 /nfs/dbraw/zinc/15/52/50/1070155250.db2.gz IGUCPYZSZNXACI-NRFANRHFSA-N 0 3 454.615 3.601 20 30 JHEDHN C#C[C@H](NC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1)c1ccc(Cl)cc1 ZINC001312938752 1070190257 /nfs/dbraw/zinc/19/02/57/1070190257.db2.gz UHRSSJLTUMVGCD-OFNKIYASSA-N 0 3 452.002 3.653 20 30 JHEDHN CN(C)c1ccc([C@H](CNC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)N(C)C)cc1 ZINC001313410810 1070351358 /nfs/dbraw/zinc/35/13/58/1070351358.db2.gz FMMPBIRKWLAPQL-QHCPKHFHSA-N 0 3 453.562 3.619 20 30 JHEDHN Cc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2S(=O)(=O)NCc2cccc(OCC#N)c2)cc1 ZINC001309182573 1070589494 /nfs/dbraw/zinc/58/94/94/1070589494.db2.gz RMKSJIVFEJZKEJ-RRPNLBNLSA-N 0 3 475.614 3.985 20 30 JHEDHN CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC2CC2)CC1 ZINC001313543005 1070639189 /nfs/dbraw/zinc/63/91/89/1070639189.db2.gz HLUYXIGJOPSGMS-HXUWFJFHSA-N 0 3 493.656 3.994 20 30 JHEDHN CCN(CC)[C@@H](Cn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)c1ccsc1 ZINC001313666147 1070883399 /nfs/dbraw/zinc/88/33/99/1070883399.db2.gz ULWAXJWBVGITOQ-UGKGYDQZSA-N 0 3 493.685 3.923 20 30 JHEDHN CCN(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)c1ccco1 ZINC001313678401 1070929110 /nfs/dbraw/zinc/92/91/10/1070929110.db2.gz OHHMUIDBWZYNTL-LEWJYISDSA-N 0 3 453.635 3.719 20 30 JHEDHN CCN(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1)c1ccco1 ZINC001313678405 1070929137 /nfs/dbraw/zinc/92/91/37/1070929137.db2.gz OHHMUIDBWZYNTL-RTWAWAEBSA-N 0 3 453.635 3.719 20 30 JHEDHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2=CCCCC2)CC1 ZINC001313698970 1070972491 /nfs/dbraw/zinc/97/24/91/1070972491.db2.gz GMBONHIUOGXGTB-UHFFFAOYSA-N 0 3 475.641 3.698 20 30 JHEDHN CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCOC2)C1)CCC(F)(F)F ZINC001313805673 1071221488 /nfs/dbraw/zinc/22/14/88/1071221488.db2.gz NLVBKWKWKZFWPF-JOCHJYFZSA-N 0 3 462.520 3.708 20 30 JHEDHN CCN1C[C@@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2ccc(C#N)o2)C[C@H]1C ZINC001313868087 1071402597 /nfs/dbraw/zinc/40/25/97/1071402597.db2.gz LXTFRXPNNDHOMD-RTBURBONSA-N 0 3 497.644 3.824 20 30 JHEDHN CCN1CCN([C@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC(CC#N)CC2)CC1 ZINC001313921976 1071563095 /nfs/dbraw/zinc/56/30/95/1071563095.db2.gz UOWZZOKNWWQHCQ-LJQANCHMSA-N 0 3 487.599 3.703 20 30 JHEDHN CCN1CCN([C@H](C)Cn2c(-c3ccc(Br)s3)nnc2N(C)[C@@H](C)CC#N)CC1 ZINC001313922348 1071564480 /nfs/dbraw/zinc/56/44/80/1071564480.db2.gz WAAVAPPWPRFQHT-JKSUJKDBSA-N 0 3 480.480 3.533 20 30 JHEDHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)[C@H](C)CC#N)CC1 ZINC001313926995 1071578807 /nfs/dbraw/zinc/57/88/07/1071578807.db2.gz GXWWSBIXEIIFOH-YADHBBJMSA-N 0 3 481.689 3.919 20 30 JHEDHN CCN1CCN(CCCn2c(CSc3ccc(Cl)cc3)nnc2N2CCC(C#N)CC2)CC1 ZINC001313959480 1071666788 /nfs/dbraw/zinc/66/67/88/1071666788.db2.gz UKWALSQBJUBKCJ-UHFFFAOYSA-N 0 3 488.105 3.991 20 30 JHEDHN CN1CCN(Cc2cccc(CNC(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)c2)CC1 ZINC001310832225 1069183730 /nfs/dbraw/zinc/18/37/30/1069183730.db2.gz VDLIZZOWBSPMSD-UHFFFAOYSA-N 0 3 456.550 3.815 20 30 JHEDHN CCOC1CC(CCn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)N(CC)C[C@H]2C)C1 ZINC001314237701 1069936181 /nfs/dbraw/zinc/93/61/81/1069936181.db2.gz FVZBGPGIHHWWRW-JDJBWLAASA-N 0 3 466.630 3.853 20 30 JHEDHN CCCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001313517996 1070581668 /nfs/dbraw/zinc/58/16/68/1070581668.db2.gz JNQKUHPZHAOBPU-UHFFFAOYSA-N 0 3 459.598 3.969 20 30 JHEDHN CCSCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001314614585 1070683659 /nfs/dbraw/zinc/68/36/59/1070683659.db2.gz ZKPBPBBARYRSSM-QHCPKHFHSA-N 0 3 467.687 3.565 20 30 JHEDHN CN(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)c1cccs1 ZINC001314648745 1070753073 /nfs/dbraw/zinc/75/30/73/1070753073.db2.gz OUFWSGYEMXDGAB-OAQYLSRUSA-N 0 3 491.665 3.876 20 30 JHEDHN CCN(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1)c1ccco1 ZINC001313675440 1070915680 /nfs/dbraw/zinc/91/56/80/1070915680.db2.gz UHBPRAZETJTTFL-QHCPKHFHSA-N 0 3 475.597 3.551 20 30 JHEDHN CN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001314740615 1070976685 /nfs/dbraw/zinc/97/66/85/1070976685.db2.gz YAJMNCCRKMNTFD-UHFFFAOYSA-N 0 3 479.032 3.528 20 30 JHEDHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCC2(F)F)CC1 ZINC001313700963 1070978143 /nfs/dbraw/zinc/97/81/43/1070978143.db2.gz OTEQSYVWJVCQCZ-JOCHJYFZSA-N 0 3 499.610 3.633 20 30 JHEDHN CCN1C[C@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2ccc(C#N)o2)C[C@@H]1C ZINC001313868082 1071402436 /nfs/dbraw/zinc/40/24/36/1071402436.db2.gz LXTFRXPNNDHOMD-OALUTQOASA-N 0 3 497.644 3.824 20 30 JHEDHN CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001306181128 1068573225 /nfs/dbraw/zinc/57/32/25/1068573225.db2.gz SYPZSSRGRNFDGK-UHFFFAOYSA-N 0 3 481.645 3.681 20 30 JHEDHN CN(CCO)CCNC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC001310585283 1069031248 /nfs/dbraw/zinc/03/12/48/1069031248.db2.gz YCJFEQDCGMMDSC-LBPRGKRZSA-N 0 3 455.321 3.551 20 30 JHEDHN Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC001310961633 1069234417 /nfs/dbraw/zinc/23/44/17/1069234417.db2.gz VWGSEKRMYJEFMV-SANMLTNESA-N 0 3 457.534 3.813 20 30 JHEDHN N#CCc1ccc(OCc2ccc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)nc2)cc1 ZINC001164881145 721152663 /nfs/dbraw/zinc/15/26/63/721152663.db2.gz ZGZWTMWHLFANCR-AZGAKELHSA-N 0 3 455.562 3.601 20 30 JHEDHN Cn1cc(CN2CC[C@H]3CN(c4nc(C#C[Si](C)(C)C)ccc4NC(=O)C(C)(C)C)C[C@@H]3C2)cn1 ZINC001164762572 721174227 /nfs/dbraw/zinc/17/42/27/721174227.db2.gz CVEGCLSWCNPXJE-VXKWHMMOSA-N 0 3 492.744 3.987 20 30 JHEDHN N#Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164974677 722155234 /nfs/dbraw/zinc/15/52/34/722155234.db2.gz OUIJYQZIEPOOTJ-OFNKIYASSA-N 0 3 476.968 3.916 20 30 JHEDHN N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164973043 722155412 /nfs/dbraw/zinc/15/54/12/722155412.db2.gz KJBOEUUFHYRDPH-REWPJTCUSA-N 0 3 476.968 3.916 20 30 JHEDHN CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CCC(OC)CC2)CCN1CCOC ZINC001306623387 1069315344 /nfs/dbraw/zinc/31/53/44/1069315344.db2.gz SECLAGZHQDEEEB-QNVARPAVSA-N 0 3 480.657 3.959 20 30 JHEDHN CCOC(=O)C[C@@](C)(NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)C(C)C ZINC001307712828 1070140826 /nfs/dbraw/zinc/14/08/26/1070140826.db2.gz KKBUDKBLIHDWET-RUZDIDTESA-N 0 3 454.571 3.870 20 30 JHEDHN CC(C)(C)c1csc(CC2(O)C[C@H]3CC[C@@H](C2)N3C[C@H](O)COc2ccccc2C#N)n1 ZINC001308121102 1070320061 /nfs/dbraw/zinc/32/00/61/1070320061.db2.gz MYYWBFQXLVCTTC-MAELHVQTSA-N 0 3 455.624 3.653 20 30 JHEDHN C[C@@H](CC(=O)Nc1ccc(Br)cc1)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001308686951 1070418476 /nfs/dbraw/zinc/41/84/76/1070418476.db2.gz RWQKFRRBYBKWDM-MGPUTAFESA-N 0 3 455.356 3.823 20 30 JHEDHN CN(C)[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](C#N)C1)c1cccs1 ZINC001314650259 1070757987 /nfs/dbraw/zinc/75/79/87/1070757987.db2.gz ZFIRTBWLCPTDRE-ROUUACIJSA-N 0 3 487.427 3.801 20 30 JHEDHN COc1cc(C#N)ccc1S(=O)(=O)N1CC(C)(C)[C@@H]1C1CCN(Cc2ccccc2)CC1 ZINC001309517256 1070822322 /nfs/dbraw/zinc/82/23/22/1070822322.db2.gz UQDQGVYMNMYWRX-DEOSSOPVSA-N 0 3 453.608 3.878 20 30 JHEDHN CCN(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cnccn1)c1ccco1 ZINC001313672656 1070904689 /nfs/dbraw/zinc/90/46/89/1070904689.db2.gz IHSUJVPVJBHZQB-QFIPXVFZSA-N 0 3 456.554 3.919 20 30 JHEDHN CCN(CC)[C@H](Cn1c(CC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)c1ccco1 ZINC001313679476 1070935372 /nfs/dbraw/zinc/93/53/72/1070935372.db2.gz QUKJRQLADCCQQP-IFMALSPDSA-N 0 3 491.644 3.529 20 30 JHEDHN CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1)CCC(F)(F)F ZINC001313806848 1071226701 /nfs/dbraw/zinc/22/67/01/1071226701.db2.gz ZTTQWHOAUHPMTH-PXNSSMCTSA-N 0 3 464.536 3.952 20 30 JHEDHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2ccc(C#N)o2)C[C@@H]1C ZINC001313859193 1071362945 /nfs/dbraw/zinc/36/29/45/1071362945.db2.gz FLCYFHATRKRJMH-JKSUJKDBSA-N 0 3 456.497 3.978 20 30 JHEDHN CCN1C[C@@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2ccc(C#N)o2)C[C@@H]1C ZINC001313868085 1071402411 /nfs/dbraw/zinc/40/24/11/1071402411.db2.gz LXTFRXPNNDHOMD-RBUKOAKNSA-N 0 3 497.644 3.824 20 30 JHEDHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCCC2(C)C)C[C@@H]1C ZINC001313879118 1071447828 /nfs/dbraw/zinc/44/78/28/1071447828.db2.gz XXBNFCANPIOPNQ-DYLHXGEVSA-N 0 3 466.630 3.589 20 30 JHEDHN CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001306179710 1068570293 /nfs/dbraw/zinc/57/02/93/1068570293.db2.gz BBBVFZGMRNWPLF-HXUWFJFHSA-N 0 3 481.645 3.680 20 30 JHEDHN CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncccc2C)CCN1CCOC ZINC001306620301 1069305613 /nfs/dbraw/zinc/30/56/13/1069305613.db2.gz OKLIOHPKPFOIPV-QHCPKHFHSA-N 0 3 459.598 3.506 20 30 JHEDHN CC(C)N(C)Cc1nn(C(F)(F)c2cc(-c3ccc(C#N)cc3)nnc2Cl)c2c1CCNC2 ZINC001164685364 719653872 /nfs/dbraw/zinc/65/38/72/719653872.db2.gz ZPBHRWFSZFWGSE-UHFFFAOYSA-N 0 3 471.943 3.949 20 30 JHEDHN N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866423 721198233 /nfs/dbraw/zinc/19/82/33/721198233.db2.gz ADQZUWMTPPTVAV-HOTGVXAUSA-N 0 3 455.896 3.913 20 30 JHEDHN N#Cc1cc(-c2ccnc(Cl)n2)c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)cc1F ZINC001164971969 722121197 /nfs/dbraw/zinc/12/11/97/722121197.db2.gz DZXRZVVWSGSFJJ-UUOWRZLLSA-N 0 3 478.959 3.930 20 30 JHEDHN CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCSC2)CCN1CCOC ZINC001306623678 1069315872 /nfs/dbraw/zinc/31/58/72/1069315872.db2.gz ULQWCRVMWBBQJK-GMAHTHKFSA-N 0 3 468.671 3.897 20 30 JHEDHN CN(CCn1c(N2CCCN(Cc3ccc(C#N)cc3)CC2)nnc1C(C)(C)C)CC(F)(F)F ZINC001314866826 1071271848 /nfs/dbraw/zinc/27/18/48/1071271848.db2.gz CWWHOEYSMVNFRI-UHFFFAOYSA-N 0 3 477.579 3.654 20 30 JHEDHN CN(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1CCOC(C)(C)C1)c1ccsc1 ZINC001314870574 1071281179 /nfs/dbraw/zinc/28/11/79/1071281179.db2.gz DVDXHLJQDQQLRA-HSZRJFAPSA-N 0 3 493.681 3.728 20 30 JHEDHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCCC(F)(F)F)C[C@H]1C ZINC001313873763 1071425566 /nfs/dbraw/zinc/42/55/66/1071425566.db2.gz DDAHYSSGNCCJFX-SJORKVTESA-N 0 3 450.509 3.990 20 30 JHEDHN CN(CCN1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1)Cc1ccccc1 ZINC001310712395 1069128119 /nfs/dbraw/zinc/12/81/19/1069128119.db2.gz DLEBRKPXBXZARJ-UHFFFAOYSA-N 0 3 456.388 3.602 20 30 JHEDHN CCC[C@@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001306534534 1069178112 /nfs/dbraw/zinc/17/81/12/1069178112.db2.gz FWVWVVFHGAANRR-HHHXNRCGSA-N 0 3 473.625 3.784 20 30 JHEDHN CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOC(C)(C)C)CCN1CCOC ZINC001306621316 1069309728 /nfs/dbraw/zinc/30/97/28/1069309728.db2.gz AKGYGKHRIIXTHS-JOCHJYFZSA-N 0 3 454.619 3.569 20 30 JHEDHN CSc1nc(-c2ccccc2)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c1C#N ZINC001164866738 721108945 /nfs/dbraw/zinc/10/89/45/721108945.db2.gz UTXJQPCFEQWAQB-LEWJYISDSA-N 0 3 458.591 3.612 20 30 JHEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC3(CCCC3)OC[C@@H]2CN(C)C)c1C#N ZINC001307939143 1070250496 /nfs/dbraw/zinc/25/04/96/1070250496.db2.gz QVFCOOVJBTXVKF-QFIPXVFZSA-N 0 3 455.647 3.996 20 30 JHEDHN CCN(CC)[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1)c1ccsc1 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CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1Cc1cccnc1OCC(F)(F)F ZINC001306181192 1068573022 /nfs/dbraw/zinc/57/30/22/1068573022.db2.gz VZSIXFIZGAZOEH-UHFFFAOYSA-N 0 3 499.541 3.809 20 30 JHEDHN CSc1nc(Cl)c(C=N[O-])c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164838266 720676897 /nfs/dbraw/zinc/67/68/97/720676897.db2.gz GVHSYMDXMHURGG-QGZVFWFLSA-N 0 3 462.019 3.920 20 30 JHEDHN CSc1nc(Cl)c(C=N[O-])c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164838266 720676909 /nfs/dbraw/zinc/67/69/09/720676909.db2.gz GVHSYMDXMHURGG-QGZVFWFLSA-N 0 3 462.019 3.920 20 30 JHEDHN CCOC1CC(CCn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)N(CC)C[C@H]2C)C1 ZINC001314237702 1069935989 /nfs/dbraw/zinc/93/59/89/1069935989.db2.gz FVZBGPGIHHWWRW-MICDNJKTSA-N 0 3 466.630 3.853 20 30 JHEDHN CC(C)N(CC#CCN1C(=O)c2ccccc2C1=O)C[C@H](O)COc1cccc2ccccc21 ZINC001307458657 1069996732 /nfs/dbraw/zinc/99/67/32/1069996732.db2.gz JIIGFXAUHVAARY-QFIPXVFZSA-N 0 3 456.542 3.590 20 30 JHEDHN CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@H](c1cccs1)N(C)C ZINC001314392441 1070248526 /nfs/dbraw/zinc/24/85/26/1070248526.db2.gz YQXKYPXNVLMMOL-NRFANRHFSA-N 0 3 483.617 3.516 20 30 JHEDHN COC(=O)c1cnc(CC2CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)s1 ZINC001308044208 1070290598 /nfs/dbraw/zinc/29/05/98/1070290598.db2.gz UOOLVOAVCUEGBE-UHFFFAOYSA-N 0 3 458.609 3.635 20 30 JHEDHN C#CCCOc1ccc(CNC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C(F)(F)F)cc1 ZINC001308383526 1070365254 /nfs/dbraw/zinc/36/52/54/1070365254.db2.gz ZNCFEVJJVLGHCK-HXUWFJFHSA-N 0 3 455.521 3.662 20 30 JHEDHN C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001308686953 1070418287 /nfs/dbraw/zinc/41/82/87/1070418287.db2.gz RWQKFRRBYBKWDM-QRWLVFNGSA-N 0 3 455.356 3.823 20 30 JHEDHN N#Cc1cc(S(=O)(=O)NCC2CCN(Cc3cccs3)CC2)ccc1Br ZINC001309119166 1070549790 /nfs/dbraw/zinc/54/97/90/1070549790.db2.gz NWSNATNPZAQUPF-UHFFFAOYSA-N 0 3 454.415 3.573 20 30 JHEDHN CN(C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@](F)(C#N)C1)c1ccc(F)cc1 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CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccc(Br)n2)C[C@H]1C ZINC001313859963 1071366331 /nfs/dbraw/zinc/36/63/31/1071366331.db2.gz JJSZSHJYPLSQJG-IAGOWNOFSA-N 0 3 480.414 3.941 20 30 JHEDHN CN(CCNC(=O)C1CCN(C(=O)Nc2ccc(C#N)cc2Cl)CC1)Cc1ccccc1 ZINC001310422854 1071382064 /nfs/dbraw/zinc/38/20/64/1071382064.db2.gz DIVDFZNAIXYKLT-UHFFFAOYSA-N 0 3 453.974 3.704 20 30 JHEDHN CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2cccs2)N(C)C)CC1 ZINC001315020142 1071539679 /nfs/dbraw/zinc/53/96/79/1071539679.db2.gz AIQXUBGEJXJSAH-NRFANRHFSA-N 0 3 477.638 3.534 20 30 JHEDHN CCN1CCN([C@H](C)Cn2c(-c3ccc(Br)s3)nnc2N(C)[C@H](C)CC#N)CC1 ZINC001313922347 1071564538 /nfs/dbraw/zinc/56/45/38/1071564538.db2.gz WAAVAPPWPRFQHT-HZPDHXFCSA-N 0 3 480.480 3.533 20 30 JHEDHN CCN1CCN([C@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(CC)(CC)SC)C2)CC1 ZINC001313945846 1071627443 /nfs/dbraw/zinc/62/74/43/1071627443.db2.gz VOBKVYQKZIUVKT-QHCPKHFHSA-N 0 3 481.714 3.955 20 30 JHEDHN CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCC(N2CCC(C(=O)OCC)CC2)CC1 ZINC001164617967 719028528 /nfs/dbraw/zinc/02/85/28/719028528.db2.gz STMVSKLYTOQQFJ-UHFFFAOYSA-N 0 3 498.958 3.572 20 30 JHEDHN N#Cc1cnc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)c2cc(-c3ccccc3)sc21 ZINC001164738141 720707867 /nfs/dbraw/zinc/70/78/67/720707867.db2.gz ILSLZGUFTXEJIQ-PMACEKPBSA-N 0 3 454.559 3.967 20 30 JHEDHN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982815 722101760 /nfs/dbraw/zinc/10/17/60/722101760.db2.gz PETTULMLBLRXNE-MAUKXSAKSA-N 0 3 468.335 3.927 20 30 JHEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1 ZINC001307920146 1070242528 /nfs/dbraw/zinc/24/25/28/1070242528.db2.gz XKUPXJANKLXRCA-OALHLCOBSA-N 0 3 460.594 3.951 20 30 JHEDHN C#CCOc1ccc(Br)cc1CNC[C@]1(C)CN(C(=O)OC(C)(C)C)CCO1 ZINC001308514473 1070383817 /nfs/dbraw/zinc/38/38/17/1070383817.db2.gz VKINAWGNGSUMSR-OAQYLSRUSA-N 0 3 453.377 3.577 20 30 JHEDHN CN(C)[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](C#N)C1)c1cccs1 ZINC001314650251 1070757954 /nfs/dbraw/zinc/75/79/54/1070757954.db2.gz ZFIRTBWLCPTDRE-MSOLQXFVSA-N 0 3 487.427 3.801 20 30 JHEDHN CN(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1)c1cccs1 ZINC001314657594 1070777399 /nfs/dbraw/zinc/77/73/99/1070777399.db2.gz YPUWJVBTKXVEBF-HXUWFJFHSA-N 0 3 478.670 3.824 20 30 JHEDHN CCN(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1)c1ccco1 ZINC001313678404 1070929166 /nfs/dbraw/zinc/92/91/66/1070929166.db2.gz OHHMUIDBWZYNTL-NHCUHLMSSA-N 0 3 453.635 3.719 20 30 JHEDHN CN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCCC2)CC1)C(=O)OC(C)(C)C ZINC001314859082 1071247128 /nfs/dbraw/zinc/24/71/28/1071247128.db2.gz XGIGJIUPASWBSC-UHFFFAOYSA-N 0 3 479.629 3.748 20 30 JHEDHN CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2cc(C)oc2C)C[C@@H]1C ZINC001313868329 1071404323 /nfs/dbraw/zinc/40/43/23/1071404323.db2.gz NWQRTGZUTAQUFT-XWXLMPLOSA-N 0 3 462.598 3.853 20 30 JHEDHN CCN1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001313924436 1071570369 /nfs/dbraw/zinc/57/03/69/1071570369.db2.gz FVRNXAPQPDPUKB-GHTZIAJQSA-N 0 3 475.563 3.621 20 30 JHEDHN CCN1CCN([C@@H](C)Cn2c(CSc3ccccc3OC)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001313928880 1071585443 /nfs/dbraw/zinc/58/54/43/1071585443.db2.gz WLEOYGROFGPDKH-NRFANRHFSA-N 0 3 497.713 3.735 20 30 JHEDHN CCN1CCN(C[C@H](C)Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001313951287 1071641655 /nfs/dbraw/zinc/64/16/55/1071641655.db2.gz SNEWECJTAWTFAT-VXKWHMMOSA-N 0 3 497.663 3.961 20 30 JHEDHN CCN1CCN(C[C@@H](C)Cn2c(CC(C)(C)C)nnc2N(C)Cc2cccc(C#N)c2)CC1 ZINC001313957269 1071660020 /nfs/dbraw/zinc/66/00/20/1071660020.db2.gz QFDSTZYMTMPMKE-OAQYLSRUSA-N 0 3 451.663 3.648 20 30 JHEDHN CCN1CCN(CCCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCC[C@@H](C)C2)CC1 ZINC001313961521 1071672832 /nfs/dbraw/zinc/67/28/32/1071672832.db2.gz UCKLOHGDOKQJCN-VWNXMTODSA-N 0 3 479.673 3.771 20 30 JHEDHN CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2ccsc2)N(C)C)C1 ZINC001314033800 1071815020 /nfs/dbraw/zinc/81/50/20/1071815020.db2.gz PUEPWJMIMFZBHT-YADHBBJMSA-N 0 3 493.637 3.896 20 30 JHEDHN CCc1nn(C)c(CC)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001306045016 1068464880 /nfs/dbraw/zinc/46/48/80/1068464880.db2.gz JZEOHFXOPASRSW-PMACEKPBSA-N 0 3 490.656 3.554 20 30 JHEDHN CN(C)C[C@H](NC(=O)Nc1ccc(C#N)cc1I)c1ccc(F)cc1 ZINC001311209353 1069298206 /nfs/dbraw/zinc/29/82/06/1069298206.db2.gz IPZZVWMPWQZWOX-KRWDZBQOSA-N 0 3 452.271 3.726 20 30 JHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001312633059 1070055222 /nfs/dbraw/zinc/05/52/22/1070055222.db2.gz SLHPHJVPRMJZBM-UHFFFAOYSA-N 0 3 455.603 3.589 20 30 JHEDHN C#CCCOc1ccc(CNC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C(F)(F)F)cc1 ZINC001308383516 1070365416 /nfs/dbraw/zinc/36/54/16/1070365416.db2.gz ZNCFEVJJVLGHCK-FQEVSTJZSA-N 0 3 455.521 3.662 20 30 JHEDHN C=CCOc1c(Br)cc(CN[C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)cc1OC ZINC001308479257 1070380255 /nfs/dbraw/zinc/38/02/55/1070380255.db2.gz HYLFKYUSVAFTLM-QZTJIDSGSA-N 0 3 473.433 3.505 20 30 JHEDHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)CCC(C)C)C[C@H]1C ZINC001313874195 1071428060 /nfs/dbraw/zinc/42/80/60/1071428060.db2.gz GUGKZKKMZCTQPV-YZIHRLCOSA-N 0 3 468.646 3.835 20 30 JHEDHN CCN1CCN([C@H](C)Cn2c(-c3sc(-c4ccccc4)nc3C)nnc2N(C)C[C@H](C)C#N)CC1 ZINC001313919700 1071557384 /nfs/dbraw/zinc/55/73/84/1071557384.db2.gz FHTRTWHQCCEPMQ-WOJBJXKFSA-N 0 3 492.697 3.999 20 30 JHEDHN CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](c2ccsc2)N(C)C)C[C@H]1C ZINC001313942409 1071620276 /nfs/dbraw/zinc/62/02/76/1071620276.db2.gz IWKPILKLZGIRIY-XXBNENTESA-N 0 3 479.654 3.624 20 30 JHEDHN CCN1CCN(C[C@@H](C)Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001313951286 1071641800 /nfs/dbraw/zinc/64/18/00/1071641800.db2.gz SNEWECJTAWTFAT-FGZHOGPDSA-N 0 3 497.663 3.961 20 30 JHEDHN CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001314028087 1071794201 /nfs/dbraw/zinc/79/42/01/1071794201.db2.gz PVECORUCBQRGTC-TXTKFYIRSA-N 0 3 481.645 3.896 20 30 JHEDHN CC(C)N(C)Cc1nn(C(F)(F)c2cc(-c3cccc(C#N)c3)nnc2Cl)c2c1CCNC2 ZINC001164680951 719654208 /nfs/dbraw/zinc/65/42/08/719654208.db2.gz JPVMVGFGWKFXNH-UHFFFAOYSA-N 0 3 471.943 3.949 20 30 JHEDHN CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164837412 720738153 /nfs/dbraw/zinc/73/81/53/720738153.db2.gz JAPQSLHBXUCKDX-UHFFFAOYSA-N 0 3 478.931 3.577 20 30 JHEDHN N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866424 721198305 /nfs/dbraw/zinc/19/83/05/721198305.db2.gz ADQZUWMTPPTVAV-HZPDHXFCSA-N 0 3 455.896 3.913 20 30 JHEDHN CN(Cc1ccco1)Cc1cncc2c1CCN(c1nccnc1C(C#N)C(=O)OC(C)(C)C)C2 ZINC001164910452 721763488 /nfs/dbraw/zinc/76/34/88/721763488.db2.gz GBJNAORUSYVSJA-QFIPXVFZSA-N 0 3 474.565 3.608 20 30 JHEDHN N#CCc1ccc(OCc2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc2)cc1 ZINC001164977038 722144224 /nfs/dbraw/zinc/14/42/24/722144224.db2.gz HYJBOYUQPPPJIM-XNMGPUDCSA-N 0 3 469.589 3.849 20 30 JHEDHN N#Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164974675 722155817 /nfs/dbraw/zinc/15/58/17/722155817.db2.gz OUIJYQZIEPOOTJ-NZQKXSOJSA-N 0 3 476.968 3.916 20 30 JHEDHN CCOCCCCn1c([C@H]2CCCOC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001314458364 1070359592 /nfs/dbraw/zinc/35/95/92/1070359592.db2.gz XFZUKOGYXAGPLL-DEOSSOPVSA-N 0 3 466.630 3.573 20 30 JHEDHN CN(C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@](F)(C#N)C1)c1ccc(F)cc1 ZINC001314649472 1070756098 /nfs/dbraw/zinc/75/60/98/1070756098.db2.gz WCJNVTCKVQIPJF-AVRDEDQJSA-N 0 3 457.916 3.877 20 30 JHEDHN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC001310132737 1071143319 /nfs/dbraw/zinc/14/33/19/1071143319.db2.gz WHBUTJGTCFLYQV-FQEVSTJZSA-N 0 3 456.612 3.621 20 30 JHEDHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2ccc(C#N)o2)C[C@H]1C ZINC001313859192 1071363059 /nfs/dbraw/zinc/36/30/59/1071363059.db2.gz FLCYFHATRKRJMH-HZPDHXFCSA-N 0 3 456.497 3.978 20 30 JHEDHN CCN1CCN([C@@H](C)Cn2c(-c3sc(-c4ccccc4)nc3C)nnc2N(C)C[C@H](C)C#N)CC1 ZINC001313919698 1071557423 /nfs/dbraw/zinc/55/74/23/1071557423.db2.gz FHTRTWHQCCEPMQ-UXHICEINSA-N 0 3 492.697 3.999 20 30 JHEDHN CCN1CCN([C@H](C)Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)[C@H](C)CC#N)CC1 ZINC001313926993 1071578677 /nfs/dbraw/zinc/57/86/77/1071578677.db2.gz GXWWSBIXEIIFOH-FGZHOGPDSA-N 0 3 481.689 3.919 20 30 JHEDHN CCN1CCN([C@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 ZINC001313929973 1071588010 /nfs/dbraw/zinc/58/80/10/1071588010.db2.gz UMNNLURVSRCDJN-NLFFAJNJSA-N 0 3 470.065 3.678 20 30 JHEDHN CCN1CCN(C[C@@H](C)Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001313951288 1071641842 /nfs/dbraw/zinc/64/18/42/1071641842.db2.gz SNEWECJTAWTFAT-YADHBBJMSA-N 0 3 497.663 3.961 20 30 JHEDHN CCN1CCN(CCCn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC(CC#N)CC2)CC1 ZINC001313961225 1071672396 /nfs/dbraw/zinc/67/23/96/1071672396.db2.gz RQTDMGKXQDEQMF-NRFANRHFSA-N 0 3 483.636 3.715 20 30 JHEDHN N#Cc1cnc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)c2cc(-c3ccccc3)sc21 ZINC001164738176 720708355 /nfs/dbraw/zinc/70/83/55/720708355.db2.gz ILSLZGUFTXEJIQ-WOJBJXKFSA-N 0 3 454.559 3.967 20 30 JHEDHN Cn1cc(CN2CC[C@H]3CN(c4nc(C#C[Si](C)(C)C)ccc4NC(=O)C(C)(C)C)C[C@H]3C2)cn1 ZINC001164762567 721173292 /nfs/dbraw/zinc/17/32/92/721173292.db2.gz CVEGCLSWCNPXJE-FCHUYYIVSA-N 0 3 492.744 3.987 20 30 JHEDHN CC[C@H](C)N[C@@H](CNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccco1 ZINC001306841215 1069654323 /nfs/dbraw/zinc/65/43/23/1069654323.db2.gz ZEJSZIDANWZLID-LPHOPBHVSA-N 0 3 451.527 3.861 20 30 JHEDHN FC(F)(F)Oc1ccc(C#CCN2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)cc1 ZINC001307438214 1069984207 /nfs/dbraw/zinc/98/42/07/1069984207.db2.gz HVQSHHDJNKTEMT-QFIPXVFZSA-N 0 3 458.528 3.866 20 30 JHEDHN C=CCN(CC(=O)OCC)S(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001309113501 1070546486 /nfs/dbraw/zinc/54/64/86/1070546486.db2.gz ORQSEEJXNDEMEC-XZOQPEGZSA-N 0 3 477.026 3.689 20 30 JHEDHN CCN(CC)[C@H](Cn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)c1ccsc1 ZINC001313666144 1070883489 /nfs/dbraw/zinc/88/34/89/1070883489.db2.gz ULWAXJWBVGITOQ-SIKLNZKXSA-N 0 3 493.685 3.923 20 30 JHEDHN CCN(CC)[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1)c1ccsc1 ZINC001313675996 1070919433 /nfs/dbraw/zinc/91/94/33/1070919433.db2.gz SQPDWJUWTRNLAV-VXKWHMMOSA-N 0 3 484.601 3.870 20 30 JHEDHN CCN(CC)[C@H](Cn1c(CC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)c1ccco1 ZINC001313679480 1070935570 /nfs/dbraw/zinc/93/55/70/1070935570.db2.gz QUKJRQLADCCQQP-RBBKRZOGSA-N 0 3 491.644 3.529 20 30 JHEDHN CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1COC(C)(C)OC1)CCC(F)(F)F ZINC001313804478 1071215111 /nfs/dbraw/zinc/21/51/11/1071215111.db2.gz AOVXDBOVCSGXIO-UHFFFAOYSA-N 0 3 494.562 3.926 20 30 JHEDHN CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001315020145 1071539587 /nfs/dbraw/zinc/53/95/87/1071539587.db2.gz AIQXUBGEJXJSAH-OAQYLSRUSA-N 0 3 477.638 3.534 20 30 JHEDHN CCN1CCN([C@H](C)Cn2c(-c3sc(-c4ccccc4)nc3C)nnc2N(C)C[C@@H](C)C#N)CC1 ZINC001313919699 1071557635 /nfs/dbraw/zinc/55/76/35/1071557635.db2.gz FHTRTWHQCCEPMQ-VQTJNVASSA-N 0 3 492.697 3.999 20 30 JHEDHN CCN1CCN([C@@H](C)Cn2c(-c3cc(C)n(-c4ccccc4)c3C)nnc2N(C)C[C@H](C)C#N)CC1 ZINC001313922500 1071564406 /nfs/dbraw/zinc/56/44/06/1071564406.db2.gz WTRXMHHYLHNROM-GGAORHGYSA-N 0 3 488.684 3.975 20 30 JHEDHN CCN1CCN(C[C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001313957273 1071659974 /nfs/dbraw/zinc/65/99/74/1071659974.db2.gz QIKUZPLSBHLXKV-XMMPIXPASA-N 0 3 493.700 3.878 20 30 JHEDHN CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2ccsc2)N(C)C)C1 ZINC001314033777 1071815047 /nfs/dbraw/zinc/81/50/47/1071815047.db2.gz PUEPWJMIMFZBHT-FCHUYYIVSA-N 0 3 493.637 3.896 20 30 JHEDHN CCc1nn(C)c(CC)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001306045018 1068464862 /nfs/dbraw/zinc/46/48/62/1068464862.db2.gz JZEOHFXOPASRSW-VQTJNVASSA-N 0 3 490.656 3.554 20 30 JHEDHN CCN1CCN(c2cccc(NC(=O)N3CCN(c4ccc(C#N)cc4Cl)CC3)c2)CC1 ZINC001310595758 1069039278 /nfs/dbraw/zinc/03/92/78/1069039278.db2.gz CDCBLKOSSYVIAU-UHFFFAOYSA-N 0 3 452.990 3.708 20 30 JHEDHN Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC001310961632 1069234722 /nfs/dbraw/zinc/23/47/22/1069234722.db2.gz VWGSEKRMYJEFMV-AREMUKBSSA-N 0 3 457.534 3.813 20 30 JHEDHN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164982817 722101485 /nfs/dbraw/zinc/10/14/85/722101485.db2.gz PETTULMLBLRXNE-QAPCUYQASA-N 0 3 468.335 3.927 20 30 JHEDHN N#Cc1cc(-c2ccnc(Cl)n2)c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cc1F ZINC001164971961 722121755 /nfs/dbraw/zinc/12/17/55/722121755.db2.gz DZXRZVVWSGSFJJ-HOYKHHGWSA-N 0 3 478.959 3.930 20 30 JHEDHN COc1ccc([C@@H](CNC(=O)OC(C)(C)C)CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC001307808334 1070193179 /nfs/dbraw/zinc/19/31/79/1070193179.db2.gz WMYFNBMCDZEXFD-RBBKRZOGSA-N 0 3 452.555 3.723 20 30 JHEDHN Cc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2S(=O)(=O)NCc2ccc(OCC#N)cc2)cc1 ZINC001309146342 1070567183 /nfs/dbraw/zinc/56/71/83/1070567183.db2.gz LYEQXZNLDBWIAE-RRPNLBNLSA-N 0 3 475.614 3.985 20 30 JHEDHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCCN(C)CC(F)(F)F)C[C@H]1C ZINC001313869025 1071407493 /nfs/dbraw/zinc/40/74/93/1071407493.db2.gz PLUUHPGBNHISLH-QZTJIDSGSA-N 0 3 463.552 3.620 20 30 JHEDHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCCC(F)(F)F)C[C@@H]1C ZINC001313873754 1071425358 /nfs/dbraw/zinc/42/53/58/1071425358.db2.gz DDAHYSSGNCCJFX-IRXDYDNUSA-N 0 3 450.509 3.990 20 30 JHEDHN CCN1CCN([C@@H](C)Cn2c(-c3cc4c(s3)CCCCC4)nnc2N(C)C[C@H](C)C#N)CC1 ZINC001313920784 1071560004 /nfs/dbraw/zinc/56/00/04/1071560004.db2.gz MJGXRVGKRWZDOK-UXHICEINSA-N 0 3 469.703 3.897 20 30 JHEDHN CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@](C)(O)c1cc(C)oc1C ZINC001306180072 1068570683 /nfs/dbraw/zinc/57/06/83/1068570683.db2.gz DWDZVDURRMFQQP-SANMLTNESA-N 0 3 462.598 3.542 20 30 JHEDHN CSc1nc(-c2ccccc2)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1C#N ZINC001164866740 721108519 /nfs/dbraw/zinc/10/85/19/721108519.db2.gz UTXJQPCFEQWAQB-NHCUHLMSSA-N 0 3 458.591 3.612 20 30 JHEDHN N#CC(c1nc2ccccc2nc1N1CCN(C2CCCC2)CC1)S(=O)(=O)c1ccccc1 ZINC001165032630 721860134 /nfs/dbraw/zinc/86/01/34/721860134.db2.gz VCNPIUKZRMADOL-QHCPKHFHSA-N 0 3 461.591 3.733 20 30 JHEDHN C=CCN1CCN(c2c3c(cnc2Cl)C2(CCN(Cc4ccccc4)CC2)OC3=O)CC1 ZINC001165031959 721869637 /nfs/dbraw/zinc/86/96/37/721869637.db2.gz FHYQHLGGLMBMBT-UHFFFAOYSA-N 0 3 452.986 3.705 20 30 JHEDHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)CCc2ccc(I)cc2)CC1 ZINC001311891405 1069600446 /nfs/dbraw/zinc/60/04/46/1069600446.db2.gz LFADFXVOOFDTCN-INIZCTEOSA-N 0 3 455.384 3.952 20 30 JHEDHN Cc1ccc(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(OC[C@@H]2CCCO2)c1 ZINC001312257347 1069814873 /nfs/dbraw/zinc/81/48/73/1069814873.db2.gz YJNSLBGXMUALOR-DEOSSOPVSA-N 0 3 450.583 3.698 20 30 JHEDHN O=C(N1CCc2ccc([C@H](O)CN3CCC4(CC3)C(F)(F)C4(F)F)cc2C1)C(F)(F)F ZINC001307902826 1070232472 /nfs/dbraw/zinc/23/24/72/1070232472.db2.gz BVMIIGDFZZKFSW-OAHLLOKOSA-N 0 3 454.386 3.533 20 30 JHEDHN CCOCCCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001314458365 1070359437 /nfs/dbraw/zinc/35/94/37/1070359437.db2.gz XFZUKOGYXAGPLL-XMMPIXPASA-N 0 3 466.630 3.573 20 30 JHEDHN CCN(c1nnc(COc2ccc(C#N)cc2)n1CCN1CCN(C)C(C)(C)C1)C1CCCC1 ZINC001313619146 1070744843 /nfs/dbraw/zinc/74/48/43/1070744843.db2.gz JVDBGSFSVFBAJD-UHFFFAOYSA-N 0 3 465.646 3.524 20 30 JHEDHN CCN(CC)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC1)c1ccsc1 ZINC001313672859 1070905640 /nfs/dbraw/zinc/90/56/40/1070905640.db2.gz BNHPWXWAELQYPU-QFIPXVFZSA-N 0 3 466.611 3.710 20 30 JHEDHN CCN(CC)CCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC001309669771 1070914100 /nfs/dbraw/zinc/91/41/00/1070914100.db2.gz DNLMWZCYUWLEFL-UHFFFAOYSA-N 0 3 450.948 3.653 20 30 JHEDHN CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1)CCC(F)(F)F ZINC001313806850 1071226633 /nfs/dbraw/zinc/22/66/33/1071226633.db2.gz ZTTQWHOAUHPMTH-YLJYHZDGSA-N 0 3 464.536 3.952 20 30 JHEDHN CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccc(Br)n2)C[C@@H]1C ZINC001313859964 1071366400 /nfs/dbraw/zinc/36/64/00/1071366400.db2.gz JJSZSHJYPLSQJG-IRXDYDNUSA-N 0 3 480.414 3.941 20 30 JHEDHN CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccc(Br)n2)C[C@H]1C ZINC001313859966 1071366364 /nfs/dbraw/zinc/36/63/64/1071366364.db2.gz JJSZSHJYPLSQJG-SJORKVTESA-N 0 3 480.414 3.941 20 30 JHEDHN CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313869026 1071407365 /nfs/dbraw/zinc/40/73/65/1071407365.db2.gz PLUUHPGBNHISLH-ROUUACIJSA-N 0 3 463.552 3.620 20 30 JHEDHN CCN1CCN([C@@H](C)Cn2c(-c3sc(-c4ccccc4)nc3C)nnc2N(C)C[C@@H](C)C#N)CC1 ZINC001313919697 1071557352 /nfs/dbraw/zinc/55/73/52/1071557352.db2.gz FHTRTWHQCCEPMQ-PMACEKPBSA-N 0 3 492.697 3.999 20 30 JHEDHN CCN1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001313924437 1071570429 /nfs/dbraw/zinc/57/04/29/1071570429.db2.gz FVRNXAPQPDPUKB-NQIIRXRSSA-N 0 3 475.563 3.621 20 30 JHEDHN CCN1CCN(C[C@H](C)Cn2c(N(Cc3ccc(C#N)cc3)C3CC3)nnc2C(C)(C)C)CC1 ZINC001313953345 1071648379 /nfs/dbraw/zinc/64/83/79/1071648379.db2.gz XRPQIJVMLOMODB-NRFANRHFSA-N 0 3 463.674 3.890 20 30 JHEDHN CCN1CCN(C[C@@H](C)Cn2c(N(Cc3ccc(C#N)cc3)C3CC3)nnc2C(C)(C)C)CC1 ZINC001313953347 1071648497 /nfs/dbraw/zinc/64/84/97/1071648497.db2.gz XRPQIJVMLOMODB-OAQYLSRUSA-N 0 3 463.674 3.890 20 30 JHEDHN CCNC(=O)C(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001313963864 1071679087 /nfs/dbraw/zinc/67/90/87/1071679087.db2.gz ORKVLIAARHPBCN-FQEVSTJZSA-N 0 3 465.646 3.538 20 30 JHEDHN CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001314028085 1071794249 /nfs/dbraw/zinc/79/42/49/1071794249.db2.gz PVECORUCBQRGTC-MIZPHKNDSA-N 0 3 481.645 3.896 20 30 JHEDHN CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@H](c2ccc(CC)cc2)N(C)C)CCOC1 ZINC001314111189 1072004993 /nfs/dbraw/zinc/00/49/93/1072004993.db2.gz HNSHIVCJBQOCSY-SHQCIBLASA-N 0 3 480.657 3.926 20 30 JHEDHN CCC[C@H](Cn1c(-c2cccnc2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)OC ZINC001306591628 1069261313 /nfs/dbraw/zinc/26/13/13/1069261313.db2.gz XRWWONLFHBBVDI-XMMPIXPASA-N 0 3 459.598 3.739 20 30 JHEDHN CN(C)C[C@@H](NC(=O)Nc1ccc(C#N)cc1I)c1ccc(F)cc1 ZINC001311209356 1069298073 /nfs/dbraw/zinc/29/80/73/1069298073.db2.gz IPZZVWMPWQZWOX-QGZVFWFLSA-N 0 3 452.271 3.726 20 30 JHEDHN CSc1nc(Cl)c(C=N[O-])c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164838263 720677312 /nfs/dbraw/zinc/67/73/12/720677312.db2.gz GVHSYMDXMHURGG-KRWDZBQOSA-N 0 3 462.019 3.920 20 30 JHEDHN CSc1nc(Cl)c(C=N[O-])c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164838263 720677319 /nfs/dbraw/zinc/67/73/19/720677319.db2.gz GVHSYMDXMHURGG-KRWDZBQOSA-N 0 3 462.019 3.920 20 30 JHEDHN CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCSC2)CCN1CCOC ZINC001306623676 1069316056 /nfs/dbraw/zinc/31/60/56/1069316056.db2.gz ULQWCRVMWBBQJK-FYYLOGMGSA-N 0 3 468.671 3.897 20 30 JHEDHN C=CCC[C@@H](NC(=O)N1CCN(C(=O)CN(CC)CC)CC1)c1ccc(C(F)(F)F)cc1 ZINC001312344479 1069875917 /nfs/dbraw/zinc/87/59/17/1069875917.db2.gz ZIJHNHGUNHUQPB-HXUWFJFHSA-N 0 3 454.537 3.908 20 30 JHEDHN C=C[C@@H]1OCCC[C@H]1NC(=O)NCC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 ZINC001312731381 1070096406 /nfs/dbraw/zinc/09/64/06/1070096406.db2.gz DBLZGVURGQUUHV-YADHBBJMSA-N 0 3 472.630 3.579 20 30 JHEDHN COc1ccc([C@H](CNC(=O)OC(C)(C)C)CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC001307808332 1070193382 /nfs/dbraw/zinc/19/33/82/1070193382.db2.gz WMYFNBMCDZEXFD-IFMALSPDSA-N 0 3 452.555 3.723 20 30 JHEDHN N#Cc1ccccc1NC1CCN(CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CC1 ZINC001307967658 1070262316 /nfs/dbraw/zinc/26/23/16/1070262316.db2.gz QHMHCWXDZSNOPY-UHFFFAOYSA-N 0 3 451.596 3.503 20 30 JHEDHN CN(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)c1cccs1 ZINC001314648744 1070753241 /nfs/dbraw/zinc/75/32/41/1070753241.db2.gz OUFWSGYEMXDGAB-NRFANRHFSA-N 0 3 491.665 3.876 20 30 JHEDHN CN(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCSCC1)c1cccs1 ZINC001314655853 1070773867 /nfs/dbraw/zinc/77/38/67/1070773867.db2.gz UAZDPWBATJPCFK-LJQANCHMSA-N 0 3 454.625 3.646 20 30 JHEDHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCC2(C)C)CC1 ZINC001313699084 1070972632 /nfs/dbraw/zinc/97/26/32/1070972632.db2.gz GUTIQFANODJHEO-HSZRJFAPSA-N 0 3 477.657 3.633 20 30 JHEDHN CCN(CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](F)(C#N)C1)CCC(F)(F)F ZINC001313805627 1071220690 /nfs/dbraw/zinc/22/06/90/1071220690.db2.gz MJMXEZQPBJLJFV-IBGZPJMESA-N 0 3 469.443 3.570 20 30 JHEDHN CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C2CCCCC2)C[C@H]1C ZINC001313864125 1071385518 /nfs/dbraw/zinc/38/55/18/1071385518.db2.gz XGBDFRXACBWORB-UXHICEINSA-N 0 3 463.630 3.527 20 30 JHEDHN CCN1CCN([C@@H](C)Cn2c(-c3cc4c(s3)CCCCC4)nnc2N(C)C[C@@H](C)C#N)CC1 ZINC001313920776 1071560038 /nfs/dbraw/zinc/56/00/38/1071560038.db2.gz MJGXRVGKRWZDOK-PMACEKPBSA-N 0 3 469.703 3.897 20 30 JHEDHN CCN1CCN(CCCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001313961518 1071672889 /nfs/dbraw/zinc/67/28/89/1071672889.db2.gz UCKLOHGDOKQJCN-ISKFKSNPSA-N 0 3 479.673 3.771 20 30 JHEDHN CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@](C)(O)c1cc(C)oc1C ZINC001306180071 1068570490 /nfs/dbraw/zinc/57/04/90/1068570490.db2.gz DWDZVDURRMFQQP-AREMUKBSSA-N 0 3 462.598 3.542 20 30 JHEDHN CCS[C@@H](C)c1noc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)n1 ZINC001314577356 1070586508 /nfs/dbraw/zinc/58/65/08/1070586508.db2.gz PDNMOXCXNHUFKR-SFHVURJKSA-N 0 3 478.626 3.912 20 30 JHEDHN CN(C)[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](C#N)C1)c1cccs1 ZINC001314650257 1070758006 /nfs/dbraw/zinc/75/80/06/1070758006.db2.gz ZFIRTBWLCPTDRE-QZTJIDSGSA-N 0 3 487.427 3.801 20 30 JHEDHN CCN(CC)[C@H](Cn1c(C)nnc1N1CCN(c2cccc(F)c2C#N)CC1)c1ccco1 ZINC001313666994 1070887150 /nfs/dbraw/zinc/88/71/50/1070887150.db2.gz ZSUVLBOSQUFRDQ-JOCHJYFZSA-N 0 3 451.550 3.600 20 30 JHEDHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)Nc1cccc(C#Cc2ccccn2)c1 ZINC001310276782 1071260842 /nfs/dbraw/zinc/26/08/42/1071260842.db2.gz SDVOUYAYNPYAMZ-UHFFFAOYSA-N 0 3 453.590 3.811 20 30 JHEDHN CCN1C[C@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2ccc(C#N)o2)C[C@@H]1C ZINC001313859191 1071362412 /nfs/dbraw/zinc/36/24/12/1071362412.db2.gz FLCYFHATRKRJMH-HOTGVXAUSA-N 0 3 456.497 3.978 20 30 JHEDHN CCN(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(CC)C(=O)C1)c1ccco1 ZINC001313916679 1071553518 /nfs/dbraw/zinc/55/35/18/1071553518.db2.gz IAGSNMQCPAWFJQ-JOCHJYFZSA-N 0 3 475.597 3.551 20 30 JHEDHN CCN(CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(CC)C(=O)C1)c1ccco1 ZINC001313916680 1071553586 /nfs/dbraw/zinc/55/35/86/1071553586.db2.gz IAGSNMQCPAWFJQ-QFIPXVFZSA-N 0 3 475.597 3.551 20 30 JHEDHN CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](c2ccsc2)N(C)C)C[C@H]1C ZINC001313942406 1071620292 /nfs/dbraw/zinc/62/02/92/1071620292.db2.gz IWKPILKLZGIRIY-AUSIDOKSSA-N 0 3 479.654 3.624 20 30 JHEDHN CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2ccsc2)N(C)C)C1 ZINC001314033794 1071815077 /nfs/dbraw/zinc/81/50/77/1071815077.db2.gz PUEPWJMIMFZBHT-FGZHOGPDSA-N 0 3 493.637 3.896 20 30 JHEDHN CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001306179709 1068570204 /nfs/dbraw/zinc/57/02/04/1068570204.db2.gz BBBVFZGMRNWPLF-FQEVSTJZSA-N 0 3 481.645 3.680 20 30 JHEDHN N#CCc1ccc(OCc2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2)cc1 ZINC001164881142 721152988 /nfs/dbraw/zinc/15/29/88/721152988.db2.gz ZGZWTMWHLFANCR-AHWVRZQESA-N 0 3 455.562 3.601 20 30 JHEDHN N#CC1(c2ccc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)nc2)CCOCC1 ZINC001164906663 721721731 /nfs/dbraw/zinc/72/17/31/721721731.db2.gz NQGCMPHMLHHHQH-DEOSSOPVSA-N 0 3 453.537 3.786 20 30 JHEDHN CN(Cc1ccco1)Cc1cncc2c1CCN(c1nccnc1C(C#N)C(=O)OC(C)(C)C)C2 ZINC001164910450 721763953 /nfs/dbraw/zinc/76/39/53/721763953.db2.gz GBJNAORUSYVSJA-JOCHJYFZSA-N 0 3 474.565 3.608 20 30 JHEDHN Cc1ccc([C@H](C#N)c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)cc1 ZINC001164984285 722102564 /nfs/dbraw/zinc/10/25/64/722102564.db2.gz SBROEIYUKBPFNQ-USZFVNFHSA-N 0 3 454.578 3.563 20 30 JHEDHN C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001312841089 1070150463 /nfs/dbraw/zinc/15/04/63/1070150463.db2.gz ZNONNFOMHHBQLX-BJKOFHAPSA-N 0 3 465.569 3.780 20 30 JHEDHN C[C@H](CC(=O)Nc1ccc(Br)cc1)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001308686943 1070418430 /nfs/dbraw/zinc/41/84/30/1070418430.db2.gz RWQKFRRBYBKWDM-FOIQADDNSA-N 0 3 455.356 3.823 20 30 JHEDHN CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](OC)C1)CCC(F)(F)F ZINC001313807476 1071228878 /nfs/dbraw/zinc/22/88/78/1071228878.db2.gz OSPDKAQYGHUUSR-LJQANCHMSA-N 0 3 450.509 3.706 20 30 JHEDHN CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C2CCCCC2)C[C@@H]1C ZINC001313864124 1071385347 /nfs/dbraw/zinc/38/53/47/1071385347.db2.gz XGBDFRXACBWORB-PMACEKPBSA-N 0 3 463.630 3.527 20 30 JHEDHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313869027 1071407419 /nfs/dbraw/zinc/40/74/19/1071407419.db2.gz PLUUHPGBNHISLH-ZWKOTPCHSA-N 0 3 463.552 3.620 20 30 JHEDHN CCN1CCN([C@@H](C)Cn2c(-c3cc(C)n(-c4ccccc4)c3C)nnc2N(C)C[C@@H](C)C#N)CC1 ZINC001313922502 1071564391 /nfs/dbraw/zinc/56/43/91/1071564391.db2.gz WTRXMHHYLHNROM-GMAHTHKFSA-N 0 3 488.684 3.975 20 30 JHEDHN CCc1ccc([C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@@H](C#N)C2)N(C)C)cc1 ZINC001305922059 1068217581 /nfs/dbraw/zinc/21/75/81/1068217581.db2.gz YUEWCAZGNBQDIS-OLKYXYMISA-N 0 3 480.657 3.791 20 30 JHEDHN CC(C)(C)c1cc(NC(=O)N2CCN(CC3CCOCC3)CC2)n(-c2ccc(C#N)cc2)n1 ZINC001310722302 1069133849 /nfs/dbraw/zinc/13/38/49/1069133849.db2.gz LEAZUKCLUVUYEN-UHFFFAOYSA-N 0 3 450.587 3.618 20 30 JHEDHN CCOC(=O)c1c(NC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)c(C#N)cn1CC ZINC001310893323 1069212150 /nfs/dbraw/zinc/21/21/50/1069212150.db2.gz LLTSOOUNNJHOOV-FQEVSTJZSA-N 0 3 455.559 3.768 20 30 JHEDHN Cn1cc(CN2CC[C@@H]3CN(c4nc(C#C[Si](C)(C)C)ccc4NC(=O)C(C)(C)C)C[C@@H]3C2)cn1 ZINC001164762574 721173429 /nfs/dbraw/zinc/17/34/29/721173429.db2.gz CVEGCLSWCNPXJE-YADHBBJMSA-N 0 3 492.744 3.987 20 30 JHEDHN CCOC1CC(CCn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)N(CC)C[C@@H]2C)C1 ZINC001314237704 1069936100 /nfs/dbraw/zinc/93/61/00/1069936100.db2.gz FVZBGPGIHHWWRW-ZZOCVYOHSA-N 0 3 466.630 3.853 20 30 JHEDHN CCOC(=O)C[C@](C)(NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)C(C)C ZINC001307712830 1070140441 /nfs/dbraw/zinc/14/04/41/1070140441.db2.gz KKBUDKBLIHDWET-VWLOTQADSA-N 0 3 454.571 3.870 20 30 JHEDHN C#C[C@H](NC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1)c1ccc(Cl)cc1 ZINC001312938753 1070190195 /nfs/dbraw/zinc/19/01/95/1070190195.db2.gz UHRSSJLTUMVGCD-REWPJTCUSA-N 0 3 452.002 3.653 20 30 JHEDHN CCN(CC)[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1)c1ccsc1 ZINC001313675994 1070918827 /nfs/dbraw/zinc/91/88/27/1070918827.db2.gz SQPDWJUWTRNLAV-FCHUYYIVSA-N 0 3 484.601 3.870 20 30 JHEDHN CN(CCn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C#N)CC1)Cc1ccc(F)cc1 ZINC001314865184 1071265758 /nfs/dbraw/zinc/26/57/58/1071265758.db2.gz YFIDYWRVZMGANL-UHFFFAOYSA-N 0 3 490.631 3.731 20 30 JHEDHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)CCC(C)C)C[C@@H]1C ZINC001313874194 1071427907 /nfs/dbraw/zinc/42/79/07/1071427907.db2.gz GUGKZKKMZCTQPV-WOVHNISZSA-N 0 3 468.646 3.835 20 30 JHEDHN CCN1CCN([C@@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(CC)(CC)SC)C2)CC1 ZINC001313945845 1071627287 /nfs/dbraw/zinc/62/72/87/1071627287.db2.gz VOBKVYQKZIUVKT-HSZRJFAPSA-N 0 3 481.714 3.955 20 30 JHEDHN CN(C)CCN(Cc1ccsc1)C(=O)Nc1ccc(C#N)cc1I ZINC001311208880 1069297499 /nfs/dbraw/zinc/29/74/99/1069297499.db2.gz AYEUCPHIHBFSRR-UHFFFAOYSA-N 0 3 454.337 3.820 20 30 JHEDHN N#CCc1ccc(OCc2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2)cc1 ZINC001164881146 721152005 /nfs/dbraw/zinc/15/20/05/721152005.db2.gz ZGZWTMWHLFANCR-RSXGOPAZSA-N 0 3 455.562 3.601 20 30 JHEDHN Cn1cc(CN2CC[C@@H]3CN(c4nc(C#C[Si](C)(C)C)ccc4NC(=O)C(C)(C)C)C[C@H]3C2)cn1 ZINC001164762570 721173510 /nfs/dbraw/zinc/17/35/10/721173510.db2.gz CVEGCLSWCNPXJE-FGZHOGPDSA-N 0 3 492.744 3.987 20 30 JHEDHN COc1ccc([C@H](CNC(=O)OC(C)(C)C)CN2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC001307808333 1070193197 /nfs/dbraw/zinc/19/31/97/1070193197.db2.gz WMYFNBMCDZEXFD-IRLDBZIGSA-N 0 3 452.555 3.723 20 30 JHEDHN Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC3(CCCC3)OC[C@H]2CN(C)C)c1C#N ZINC001307939142 1070250070 /nfs/dbraw/zinc/25/00/70/1070250070.db2.gz QVFCOOVJBTXVKF-JOCHJYFZSA-N 0 3 455.647 3.996 20 30 JHEDHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C2CCCCC2)C[C@H]1C ZINC001313864127 1071385471 /nfs/dbraw/zinc/38/54/71/1071385471.db2.gz XGBDFRXACBWORB-WOJBJXKFSA-N 0 3 463.630 3.527 20 30 JHEDHN CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCOc2ncccc2Cl)C[C@@H]1C ZINC001313864956 1071389186 /nfs/dbraw/zinc/38/91/86/1071389186.db2.gz ZSRQEXCQUVTVBW-ROUUACIJSA-N 0 3 465.989 3.863 20 30 JHEDHN CCN1C[C@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2ccc(C#N)o2)C[C@H]1C ZINC001313868048 1071402532 /nfs/dbraw/zinc/40/25/32/1071402532.db2.gz LXTFRXPNNDHOMD-MOPGFXCFSA-N 0 3 497.644 3.824 20 30 JHEDHN CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2ccsc2)N(C)C)C1 ZINC001314033796 1071814999 /nfs/dbraw/zinc/81/49/99/1071814999.db2.gz PUEPWJMIMFZBHT-VXKWHMMOSA-N 0 3 493.637 3.896 20 30 JHEDHN CCc1nnc(Cn2c(CC(C)C)nnc2N2CCCN(Cc3ccc(C#N)cc3)CC2)s1 ZINC001306058938 1068495946 /nfs/dbraw/zinc/49/59/46/1068495946.db2.gz NCBVUZNFYSVLND-UHFFFAOYSA-N 0 3 464.643 3.523 20 30 JHEDHN CSc1nc(-c2ccccc2)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1C#N ZINC001164866742 721109039 /nfs/dbraw/zinc/10/90/39/721109039.db2.gz UTXJQPCFEQWAQB-RTWAWAEBSA-N 0 3 458.591 3.612 20 30 JHEDHN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982811 722101689 /nfs/dbraw/zinc/10/16/89/722101689.db2.gz PETTULMLBLRXNE-CRAIPNDOSA-N 0 3 468.335 3.927 20 30 JHEDHN N#CCc1ccc(OCc2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc2)cc1 ZINC001164977035 722144265 /nfs/dbraw/zinc/14/42/65/722144265.db2.gz HYJBOYUQPPPJIM-AHKZPQOWSA-N 0 3 469.589 3.849 20 30 JHEDHN C=CCO[C@@H]1CCN(C(=O)NCCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC001311451772 1069384976 /nfs/dbraw/zinc/38/49/76/1069384976.db2.gz HXXZMGTUMBCABI-OAQYLSRUSA-N 0 3 454.537 3.594 20 30 JHEDHN N#Cc1ccc(N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)c(F)c1Br ZINC001306945389 1069687374 /nfs/dbraw/zinc/68/73/74/1069687374.db2.gz CFROPDYFAKGCEZ-KRWDZBQOSA-N 0 3 458.379 3.893 20 30 JHEDHN CN(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCSCC1)c1cccs1 ZINC001314655851 1070773912 /nfs/dbraw/zinc/77/39/12/1070773912.db2.gz UAZDPWBATJPCFK-IBGZPJMESA-N 0 3 454.625 3.646 20 30 JHEDHN CN(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)(C)C)c1cccs1 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ULWAXJWBVGITOQ-DENIHFKCSA-N 0 3 493.685 3.923 20 30 JHEDHN CCN(CC)[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1)c1ccsc1 ZINC001313675997 1070919609 /nfs/dbraw/zinc/91/96/09/1070919609.db2.gz SQPDWJUWTRNLAV-YADHBBJMSA-N 0 3 484.601 3.870 20 30 JHEDHN CCN(CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1)c1ccco1 ZINC001313675438 1070915595 /nfs/dbraw/zinc/91/55/95/1070915595.db2.gz UHBPRAZETJTTFL-HSZRJFAPSA-N 0 3 475.597 3.551 20 30 JHEDHN CCN1CCN([C@H](C)Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)[C@@H](C)CC#N)CC1 ZINC001313926992 1071578812 /nfs/dbraw/zinc/57/88/12/1071578812.db2.gz GXWWSBIXEIIFOH-FCHUYYIVSA-N 0 3 481.689 3.919 20 30 JHEDHN CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@H](c2ccc(CC)cc2)N(C)C)CCOC1 ZINC001314111193 1072005092 /nfs/dbraw/zinc/00/50/92/1072005092.db2.gz HNSHIVCJBQOCSY-SQHAQQRYSA-N 0 3 480.657 3.926 20 30 JHEDHN CCCCCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)CC1 ZINC001306634280 1069338870 /nfs/dbraw/zinc/33/88/70/1069338870.db2.gz HIFMHKTXADFICR-UHFFFAOYSA-N 0 3 475.641 3.744 20 30 JHEDHN CC[C@H](C)N[C@H](CNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccco1 ZINC001306841216 1069654345 /nfs/dbraw/zinc/65/43/45/1069654345.db2.gz ZEJSZIDANWZLID-QFBILLFUSA-N 0 3 451.527 3.861 20 30 JHEDHN N#Cc1ccc(N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)c(F)c1Br ZINC001306945390 1069687536 /nfs/dbraw/zinc/68/75/36/1069687536.db2.gz CFROPDYFAKGCEZ-QGZVFWFLSA-N 0 3 458.379 3.893 20 30 JHEDHN Cc1ccc(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(OC[C@H]2CCCO2)c1 ZINC001312257349 1069815255 /nfs/dbraw/zinc/81/52/55/1069815255.db2.gz YJNSLBGXMUALOR-XMMPIXPASA-N 0 3 450.583 3.698 20 30 JHEDHN O=C(CCN1CCC(F)(c2ccccc2OC(F)(F)F)CC1)NC(=O)NCC(F)(F)F ZINC001307726634 1070151370 /nfs/dbraw/zinc/15/13/70/1070151370.db2.gz XGUROFGHYKSADN-UHFFFAOYSA-N 0 3 459.362 3.624 20 30 JHEDHN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1 ZINC001307920147 1070242627 /nfs/dbraw/zinc/24/26/27/1070242627.db2.gz XKUPXJANKLXRCA-OFQSIMQFSA-N 0 3 460.594 3.951 20 30 JHEDHN CCN(CC)[C@@H](Cn1c(C)nnc1N1CCN(c2cccc(F)c2C#N)CC1)c1ccco1 ZINC001313666995 1070887477 /nfs/dbraw/zinc/88/74/77/1070887477.db2.gz ZSUVLBOSQUFRDQ-QFIPXVFZSA-N 0 3 451.550 3.600 20 30 JHEDHN CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1nncn1C)CCC(F)(F)F ZINC001313807743 1071230139 /nfs/dbraw/zinc/23/01/39/1071230139.db2.gz XKIVJNQCZOOHSA-IBGZPJMESA-N 0 3 487.534 3.561 20 30 JHEDHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)CCC(C)C)C[C@H]1C ZINC001313874193 1071428086 /nfs/dbraw/zinc/42/80/86/1071428086.db2.gz GUGKZKKMZCTQPV-SWYRRKHMSA-N 0 3 468.646 3.835 20 30 JHEDHN CCN1CCN([C@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCCSCC(C)C)C2)CC1 ZINC001313944435 1071624890 /nfs/dbraw/zinc/62/48/90/1071624890.db2.gz CAMBOZSGPWLBGR-DEOSSOPVSA-N 0 3 481.714 3.812 20 30 JHEDHN CCN1CCN(CCCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCC[C@H](C)C2)CC1 ZINC001313961519 1071672770 /nfs/dbraw/zinc/67/27/70/1071672770.db2.gz UCKLOHGDOKQJCN-LADGPHEKSA-N 0 3 479.673 3.771 20 30 JHEDHN CCc1nc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(CC(C)C)CC2)cs1 ZINC001306039713 1068450842 /nfs/dbraw/zinc/45/08/42/1068450842.db2.gz LTVHNSQZURALTN-UHFFFAOYSA-N 0 3 465.627 3.574 20 30 JHEDHN N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973037 722155286 /nfs/dbraw/zinc/15/52/86/722155286.db2.gz KJBOEUUFHYRDPH-NFBKMPQASA-N 0 3 476.968 3.916 20 30 JHEDHN N#Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164974679 722155531 /nfs/dbraw/zinc/15/55/31/722155531.db2.gz OUIJYQZIEPOOTJ-REWPJTCUSA-N 0 3 476.968 3.916 20 30 JHEDHN N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164973041 722155677 /nfs/dbraw/zinc/15/56/77/722155677.db2.gz KJBOEUUFHYRDPH-OFNKIYASSA-N 0 3 476.968 3.916 20 30 JHEDHN C=CCC[C@H](NC(=O)N1CCN(C(=O)CN(CC)CC)CC1)c1ccc(C(F)(F)F)cc1 ZINC001312344477 1069875682 /nfs/dbraw/zinc/87/56/82/1069875682.db2.gz ZIJHNHGUNHUQPB-FQEVSTJZSA-N 0 3 454.537 3.908 20 30 JHEDHN CC(C)(C)OC(=O)N1CC[C@@]2(NCC(=O)NCC#Cc3cccc(C(F)(F)F)c3)CCC[C@@H]12 ZINC001308178779 1070337403 /nfs/dbraw/zinc/33/74/03/1070337403.db2.gz ZEFPMSVOZRHYPA-XXBNENTESA-N 0 3 465.516 3.695 20 30 JHEDHN CCCOc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C(C)(C)C)CC2)cn1 ZINC001313512709 1070564784 /nfs/dbraw/zinc/56/47/84/1070564784.db2.gz RFWXMYMPZZXDJQ-UHFFFAOYSA-N 0 3 489.624 3.881 20 30 JHEDHN CCS[C@H](C)c1noc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)n1 ZINC001314577353 1070586681 /nfs/dbraw/zinc/58/66/81/1070586681.db2.gz PDNMOXCXNHUFKR-GOSISDBHSA-N 0 3 478.626 3.912 20 30 JHEDHN CCN(CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](F)(C#N)C1)CCC(F)(F)F ZINC001313805628 1071220501 /nfs/dbraw/zinc/22/05/01/1071220501.db2.gz MJMXEZQPBJLJFV-LJQANCHMSA-N 0 3 469.443 3.570 20 30 JHEDHN CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CCOCC2(CC2)C1)CCC(F)(F)F ZINC001313806657 1071225069 /nfs/dbraw/zinc/22/50/69/1071225069.db2.gz WOUFSPUQXLEVOM-UHFFFAOYSA-N 0 3 462.520 3.708 20 30 JHEDHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCOc2ncccc2Cl)C[C@H]1C ZINC001313864955 1071389489 /nfs/dbraw/zinc/38/94/89/1071389489.db2.gz ZSRQEXCQUVTVBW-QZTJIDSGSA-N 0 3 465.989 3.863 20 30 JHEDHN CCN1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCCC(F)(F)F)C[C@@H]1C ZINC001313873560 1071425538 /nfs/dbraw/zinc/42/55/38/1071425538.db2.gz DDAHYSSGNCCJFX-DLBZAZTESA-N 0 3 450.509 3.990 20 30 JHEDHN CCN1CCN([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2cccc(C#N)c2)CC1 ZINC001313927050 1071578787 /nfs/dbraw/zinc/57/87/87/1071578787.db2.gz YZDYORZYGUHTTH-LJQANCHMSA-N 0 3 479.032 3.528 20 30 JHEDHN CCOC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCCC2)CC1 ZINC001314055413 1071881587 /nfs/dbraw/zinc/88/15/87/1071881587.db2.gz VZRKPFUJFLVVTO-UHFFFAOYSA-N 0 3 452.603 3.608 20 30 JHEDHN CCc1ccc([C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@H](C#N)C2)N(C)C)cc1 ZINC001305922058 1068217651 /nfs/dbraw/zinc/21/76/51/1068217651.db2.gz YUEWCAZGNBQDIS-MOUTVQLLSA-N 0 3 480.657 3.791 20 30 JHEDHN N#Cc1cnc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c2cc(-c3ccccc3)sc21 ZINC001164738173 720707947 /nfs/dbraw/zinc/70/79/47/720707947.db2.gz ILSLZGUFTXEJIQ-VQTJNVASSA-N 0 3 454.559 3.967 20 30 JHEDHN FC(F)(F)Oc1ccc(C#CCN2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)cc1 ZINC001307438187 1069984056 /nfs/dbraw/zinc/98/40/56/1069984056.db2.gz HVQSHHDJNKTEMT-JOCHJYFZSA-N 0 3 458.528 3.866 20 30 JHEDHN CSc1ccc(CNC(=O)NC2CCN(Cc3ccc(NC(C)=O)cc3)CC2)cc1C#N ZINC001312718512 1070092823 /nfs/dbraw/zinc/09/28/23/1070092823.db2.gz CIPNLYZLJHJURH-UHFFFAOYSA-N 0 3 451.596 3.702 20 30 JHEDHN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1 ZINC001307920145 1070242339 /nfs/dbraw/zinc/24/23/39/1070242339.db2.gz XKUPXJANKLXRCA-GIMAVKCBSA-N 0 3 460.594 3.951 20 30 JHEDHN CCN(CC)[C@@H](CNS(=O)(=O)c1ccc(C#N)c(Br)c1)Cc1ccccc1 ZINC001309030485 1070496229 /nfs/dbraw/zinc/49/62/29/1070496229.db2.gz CDAARHQDOZJECJ-GOSISDBHSA-N 0 3 450.402 3.552 20 30 JHEDHN CN(C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@](F)(C#N)C1)c1ccc(F)cc1 ZINC001314649474 1070756276 /nfs/dbraw/zinc/75/62/76/1070756276.db2.gz WCJNVTCKVQIPJF-PGRDOPGGSA-N 0 3 457.916 3.877 20 30 JHEDHN CN(CCn1c(CC(C)(C)C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1)CC(F)(F)F ZINC001314864343 1071262317 /nfs/dbraw/zinc/26/23/17/1071262317.db2.gz RADUQFFQELHYNF-UHFFFAOYSA-N 0 3 491.606 3.945 20 30 JHEDHN CCN1CCN(C[C@H](C)Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001313951285 1071641687 /nfs/dbraw/zinc/64/16/87/1071641687.db2.gz SNEWECJTAWTFAT-FCHUYYIVSA-N 0 3 497.663 3.961 20 30 JHEDHN CCc1nn(C)c(CC)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001306045017 1068464811 /nfs/dbraw/zinc/46/48/11/1068464811.db2.gz JZEOHFXOPASRSW-UXHICEINSA-N 0 3 490.656 3.554 20 30 JHEDHN CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CCC(OC)CC2)CCN1CCOC ZINC001306623386 1069314629 /nfs/dbraw/zinc/31/46/29/1069314629.db2.gz SECLAGZHQDEEEB-OOAAYMRMSA-N 0 3 480.657 3.959 20 30 JHEDHN C=CCC[C@H](NCC(=O)Nc1cc(S(N)(=O)=O)ccc1C)c1ccc(C(F)(F)F)cc1 ZINC001307618633 1070083955 /nfs/dbraw/zinc/08/39/55/1070083955.db2.gz OYEFGFZMGQZCNQ-SFHVURJKSA-N 0 3 455.502 3.897 20 30 JHEDHN CC(C)(C)c1csc(CC2(O)C[C@H]3CC[C@@H](C2)N3C[C@@H](O)COc2ccccc2C#N)n1 ZINC001308121117 1070320168 /nfs/dbraw/zinc/32/01/68/1070320168.db2.gz MYYWBFQXLVCTTC-VZWWMUCISA-N 0 3 455.624 3.653 20 30 JHEDHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCC2(F)F)CC1 ZINC001313700964 1070978131 /nfs/dbraw/zinc/97/81/31/1070978131.db2.gz OTEQSYVWJVCQCZ-QFIPXVFZSA-N 0 3 499.610 3.633 20 30 JHEDHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C2CC(C(C)(C)C)C2)CC1 ZINC001313700795 1070978232 /nfs/dbraw/zinc/97/82/32/1070978232.db2.gz JJYOSGDYXRKLHR-UHFFFAOYSA-N 0 3 477.657 3.804 20 30 JHEDHN C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)cc1 ZINC001310132738 1071143360 /nfs/dbraw/zinc/14/33/60/1071143360.db2.gz WHBUTJGTCFLYQV-HXUWFJFHSA-N 0 3 456.612 3.621 20 30 JHEDHN CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCOC2)C1)CCC(F)(F)F ZINC001313805674 1071221423 /nfs/dbraw/zinc/22/14/23/1071221423.db2.gz NLVBKWKWKZFWPF-QFIPXVFZSA-N 0 3 462.520 3.708 20 30 JHEDHN CCN(CCn1c(-c2ccccc2)nnc1N1CCN(c2ncccc2C#N)CC1)CCC(F)(F)F ZINC001313807388 1071228081 /nfs/dbraw/zinc/22/80/81/1071228081.db2.gz LUOBFGZZJKWVRZ-UHFFFAOYSA-N 0 3 498.557 3.813 20 30 JHEDHN Cn1cccc1-c1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCCOC(F)(F)F ZINC001314917951 1071361200 /nfs/dbraw/zinc/36/12/00/1071361200.db2.gz PPSMTXDOBWEHFW-UHFFFAOYSA-N 0 3 487.530 3.794 20 30 JHEDHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccc(Br)n2)C[C@@H]1C ZINC001313859960 1071366603 /nfs/dbraw/zinc/36/66/03/1071366603.db2.gz JJSZSHJYPLSQJG-DLBZAZTESA-N 0 3 480.414 3.941 20 30 JHEDHN CCN1CCN(C[C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC(CC#N)CC2)CC1 ZINC001313955351 1071655415 /nfs/dbraw/zinc/65/54/15/1071655415.db2.gz GCOWTODBNVWHOX-JOCHJYFZSA-N 0 3 493.700 3.878 20 30 JHEDHN CSc1nc(-c2ccccc2)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1C#N ZINC001164866743 721108228 /nfs/dbraw/zinc/10/82/28/721108228.db2.gz UTXJQPCFEQWAQB-SFTDATJTSA-N 0 3 458.591 3.612 20 30 JHEDHN N#Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164974673 722155544 /nfs/dbraw/zinc/15/55/44/722155544.db2.gz OUIJYQZIEPOOTJ-NFBKMPQASA-N 0 3 476.968 3.916 20 30 JHEDHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001312358747 1069885377 /nfs/dbraw/zinc/88/53/77/1069885377.db2.gz JCTKZCPIKWXBKY-UHFFFAOYSA-N 0 3 457.619 3.669 20 30 JHEDHN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1 ZINC001307920148 1070242410 /nfs/dbraw/zinc/24/24/10/1070242410.db2.gz XKUPXJANKLXRCA-XXNSQIBZSA-N 0 3 460.594 3.951 20 30 JHEDHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C)(C#N)CC1 ZINC001314628209 1070723445 /nfs/dbraw/zinc/72/34/45/1070723445.db2.gz HISUOBMZSCWXLO-JOCHJYFZSA-N 0 3 498.075 3.595 20 30 JHEDHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C)(C#N)CC1 ZINC001314628210 1070723737 /nfs/dbraw/zinc/72/37/37/1070723737.db2.gz HISUOBMZSCWXLO-QFIPXVFZSA-N 0 3 498.075 3.595 20 30 JHEDHN CN(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1)c1cccs1 ZINC001314657593 1070777341 /nfs/dbraw/zinc/77/73/41/1070777341.db2.gz YPUWJVBTKXVEBF-FQEVSTJZSA-N 0 3 478.670 3.824 20 30 JHEDHN COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NS(=O)(=O)Cc2ccc(C#N)cc2)cc1 ZINC001309749085 1070952674 /nfs/dbraw/zinc/95/26/74/1070952674.db2.gz IEJRSEKVBBPJKB-IZZNHLLZSA-N 0 3 461.587 3.654 20 30 JHEDHN CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1nncn1C)CCC(F)(F)F ZINC001313807744 1071230083 /nfs/dbraw/zinc/23/00/83/1071230083.db2.gz XKIVJNQCZOOHSA-LJQANCHMSA-N 0 3 487.534 3.561 20 30 JHEDHN CCN1CCN(C[C@H](C)Cn2c(CC(C)(C)C)nnc2N(C)Cc2cccc(C#N)c2)CC1 ZINC001313957268 1071660146 /nfs/dbraw/zinc/66/01/46/1071660146.db2.gz QFDSTZYMTMPMKE-NRFANRHFSA-N 0 3 451.663 3.648 20 30 JHEDHN CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@H](c2ccc(CC)cc2)N(C)C)CCOC1 ZINC001314111187 1072005067 /nfs/dbraw/zinc/00/50/67/1072005067.db2.gz HNSHIVCJBQOCSY-RPLLCQBOSA-N 0 3 480.657 3.926 20 30 JHEDHN CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@H](c2ccc(CC)cc2)N(C)C)CCOC1 ZINC001314111181 1072005137 /nfs/dbraw/zinc/00/51/37/1072005137.db2.gz HNSHIVCJBQOCSY-IGKIAQTJSA-N 0 3 480.657 3.926 20 30 JHEDHN CCc1ccc([C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@H](C#N)C2)N(C)C)cc1 ZINC001305922057 1068217518 /nfs/dbraw/zinc/21/75/18/1068217518.db2.gz YUEWCAZGNBQDIS-JLLPCOHGSA-N 0 3 480.657 3.791 20 30 JHEDHN N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866422 721197425 /nfs/dbraw/zinc/19/74/25/721197425.db2.gz ADQZUWMTPPTVAV-CVEARBPZSA-N 0 3 455.896 3.913 20 30 JHEDHN