smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(CC)NC(=O)c1nnc(Nc2cnn([C@@H]3CC3(F)F)c2)n1CCN1CCCCC1 ZINC001305800415 1069322776 /nfs/dbraw/zinc/32/27/76/1069322776.db2.gz IKZFXGWADNLQQI-QGZVFWFLSA-N 0 3 450.538 3.203 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H](c1ccc(C)cc1)N(C)C ZINC001305802456 1069325618 /nfs/dbraw/zinc/32/56/18/1069325618.db2.gz NOSOVRROUALJGJ-JQVVWYNYSA-N 0 3 456.635 3.421 20 0 JGADHN CC[C@H](Cn1c(C)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001305809710 1069339530 /nfs/dbraw/zinc/33/95/30/1069339530.db2.gz RROFXQSDGOSOGJ-HSZRJFAPSA-N 0 3 485.677 3.144 20 0 JGADHN CC[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC)C[C@@H]1CCCO1)N1CCCC1 ZINC001305816476 1069350120 /nfs/dbraw/zinc/35/01/20/1069350120.db2.gz SSSRMGCXDPHDAX-SFTDATJTSA-N 0 3 475.659 3.228 20 0 JGADHN CC[C@H](Cn1c(-c2ccccc2Cl)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1)N1CCCC1 ZINC001305820334 1069356164 /nfs/dbraw/zinc/35/61/64/1069356164.db2.gz CFGHMIXBHJBKEN-QZTJIDSGSA-N 0 3 466.051 3.486 20 0 JGADHN CC[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1)OC ZINC001305839161 1069384109 /nfs/dbraw/zinc/38/41/09/1069384109.db2.gz VGYWGQPQDIBDHR-VQTJNVASSA-N 0 3 476.616 3.177 20 0 JGADHN CCc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C(C)C)C2)N(C)C)cc1 ZINC001305915196 1069469755 /nfs/dbraw/zinc/46/97/55/1069469755.db2.gz HTJNPZKBIJXVHE-FCHUYYIVSA-N 0 3 456.635 3.143 20 0 JGADHN CCc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC(C)(C)OC[C@@H]2C)N(C)C)cc1 ZINC001305917501 1069471937 /nfs/dbraw/zinc/47/19/37/1069471937.db2.gz OYCGBDNEUOSPBE-RXVVDRJESA-N 0 3 456.635 3.285 20 0 JGADHN CCc1ccc([C@H](Cn2c(C3CCCC3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)N(C)C)cc1 ZINC001305918326 1069473157 /nfs/dbraw/zinc/47/31/57/1069473157.db2.gz LPEBYYSAUSRNRJ-CVDCTZTESA-N 0 3 488.702 3.271 20 0 JGADHN CCc1ccc([C@@H](Cn2c([C@@H]3CCOC3)nnc2N2CCCN(C(=O)C(C)C)CC2)N(C)C)cc1 ZINC001305920506 1069475751 /nfs/dbraw/zinc/47/57/51/1069475751.db2.gz SGPTWSLXQKIHMG-DNQXCXABSA-N 0 3 482.673 3.342 20 0 JGADHN CCc1ccc([C@H](Cn2c(Cc3ccccn3)nnc2N(C)Cc2cnn(C)c2)N(C)C)cc1 ZINC001305921143 1069476876 /nfs/dbraw/zinc/47/68/76/1069476876.db2.gz WUUNOMOTKOLFGX-DEOSSOPVSA-N 0 3 458.614 3.499 20 0 JGADHN CCc1ccc([C@H](Cn2c([C@H]3CCCO3)nnc2N2C[C@H](C)O[C@H](COC)C2)N(C)C)cc1 ZINC001305921629 1069477396 /nfs/dbraw/zinc/47/73/96/1069477396.db2.gz VEHUZZGZNVMZMA-FDTGPBLFSA-N 0 3 457.619 3.235 20 0 JGADHN CN(C)[C@@H](Cn1c(Cc2ccccn2)nnc1N(C)CC(=O)NC(C)(C)C)c1cccc(F)c1 ZINC001298214950 1064131161 /nfs/dbraw/zinc/13/11/61/1064131161.db2.gz WONRTWBAWYFUCR-NRFANRHFSA-N 0 3 467.593 3.057 20 0 JGADHN CN(CC(F)(F)F)c1nnc([C@H]2CCCO2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001298257779 1064154391 /nfs/dbraw/zinc/15/43/91/1064154391.db2.gz YCFBAZMEEKQOLQ-RTBURBONSA-N 0 3 453.509 3.419 20 0 JGADHN CN(Cc1cc(F)c(F)c(F)c1)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCCC1 ZINC001298267422 1064160167 /nfs/dbraw/zinc/16/01/67/1064160167.db2.gz YWOIPXPLIOTZCE-UHFFFAOYSA-N 0 3 459.476 3.075 20 0 JGADHN CC(C)(C)N1C(=O)C[C@H](C(=O)NC[C@H]2CCCCN2CCO)[C@H]1c1ccc(Cl)c(F)c1 ZINC001298288264 1064174357 /nfs/dbraw/zinc/17/43/57/1064174357.db2.gz IXPDFRUTIGQWMT-LLGFUMIMSA-N 0 3 453.986 3.130 20 0 JGADHN CN(Cc1ccc(F)c(C(F)(F)F)c1)c1nnc(CN2CCCC2=O)n1CCN1CC=CCC1 ZINC001298302606 1064183236 /nfs/dbraw/zinc/18/32/36/1064183236.db2.gz CPDBKKLUHIHGDA-UHFFFAOYSA-N 0 3 480.510 3.457 20 0 JGADHN CN(C)[C@H](Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1)c1cccs1 ZINC001298317393 1064193062 /nfs/dbraw/zinc/19/30/62/1064193062.db2.gz SLFMSVOTFUMCOU-AZUAARDMSA-N 0 3 489.667 3.186 20 0 JGADHN CN(C)[C@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1)c1ccsc1 ZINC001298318844 1064194526 /nfs/dbraw/zinc/19/45/26/1064194526.db2.gz DBIQLTAFKWMISV-GSTQUKTASA-N 0 3 481.651 3.473 20 0 JGADHN CN(C)[C@H](Cn1c(-c2cccnc2)nnc1N(C)Cc1cccc(C(N)=O)c1)c1cccs1 ZINC001298333474 1064207026 /nfs/dbraw/zinc/20/70/26/1064207026.db2.gz VAMTTWBZZYJDMO-HXUWFJFHSA-N 0 3 461.595 3.440 20 0 JGADHN COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)cc1OC ZINC001298379106 1064226434 /nfs/dbraw/zinc/22/64/34/1064226434.db2.gz ZAQVGFPJYXUAOH-KFKAGJAMSA-N 0 3 453.539 3.117 20 0 JGADHN CSc1ccc([C@@H](CNC(=O)CNC(=O)c2ccc(Br)cc2)N(C)C)cc1 ZINC001298405126 1064237623 /nfs/dbraw/zinc/23/76/23/1064237623.db2.gz XZPPUFCMRYETAH-GOSISDBHSA-N 0 3 450.402 3.320 20 0 JGADHN CN(C)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1ccsc1)C1CC1 ZINC001298427572 1064247569 /nfs/dbraw/zinc/24/75/69/1064247569.db2.gz XSGPQRBGTFUGBM-FQEVSTJZSA-N 0 3 459.641 3.387 20 0 JGADHN CC(C)c1nc(C(=O)N2CC(CN3CCN(C)CC3)C2)nn1-c1c(Cl)cccc1Cl ZINC001298437114 1064251179 /nfs/dbraw/zinc/25/11/79/1064251179.db2.gz BTSPPDCDJJVUNI-UHFFFAOYSA-N 0 3 451.402 3.017 20 0 JGADHN CN(C)[C@@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ncnn1CC(F)F)c1cccs1 ZINC001298462400 1064263610 /nfs/dbraw/zinc/26/36/10/1064263610.db2.gz KAHFHXGQNAHMSO-HOTGVXAUSA-N 0 3 480.589 3.377 20 0 JGADHN CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)CCCN3CCN(c4ccccc4)CC3)CC[C@@H]21 ZINC001298533609 1064295950 /nfs/dbraw/zinc/29/59/50/1064295950.db2.gz CYOPWHSAWPJCSQ-GGAORHGYSA-N 0 3 456.631 3.447 20 0 JGADHN CN(C)C1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@@H]2CCCOC2)CCCC1 ZINC001298559188 1064324159 /nfs/dbraw/zinc/32/41/59/1064324159.db2.gz RDDCSPIYKJOTQA-IBGZPJMESA-N 0 3 475.659 3.086 20 0 JGADHN CN(CCC(F)(F)F)c1nnc(-c2cnccn2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001298593917 1064368911 /nfs/dbraw/zinc/36/89/11/1064368911.db2.gz NPUQPFNICPOOQI-IBGZPJMESA-N 0 3 475.519 3.415 20 0 JGADHN CN(C)[C@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)CCC(F)F)c1ccsc1 ZINC001298609437 1064381357 /nfs/dbraw/zinc/38/13/57/1064381357.db2.gz HKPKJERLNIFCGK-OAHLLOKOSA-N 0 3 452.531 3.462 20 0 JGADHN CN(C)[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)CCC(F)F)c1ccsc1 ZINC001298609434 1064381487 /nfs/dbraw/zinc/38/14/87/1064381487.db2.gz HKPKJERLNIFCGK-HNNXBMFYSA-N 0 3 452.531 3.462 20 0 JGADHN CN(C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCc1cccs1)c1ccc(F)cc1 ZINC001298623722 1064396044 /nfs/dbraw/zinc/39/60/44/1064396044.db2.gz HBEPPVODSXNGBD-WOJBJXKFSA-N 0 3 456.591 3.412 20 0 JGADHN CN(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N(C)CCC1CCOCC1)c1ccc(F)cc1 ZINC001298649798 1064425281 /nfs/dbraw/zinc/42/52/81/1064425281.db2.gz YGQDOJGOLRPUCR-QFIPXVFZSA-N 0 3 472.609 3.095 20 0 JGADHN CN(CCCc1ccccn1)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001298654916 1064429957 /nfs/dbraw/zinc/42/99/57/1064429957.db2.gz PIQCKJIUGNNCTP-UHFFFAOYSA-N 0 3 483.064 3.484 20 0 JGADHN CN(CCCn1c(Cc2cccnc2)nnc1N1CCN(C(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC001298675345 1064462577 /nfs/dbraw/zinc/46/25/77/1064462577.db2.gz GIAYASVDVQKUJE-UHFFFAOYSA-N 0 3 471.650 3.441 20 0 JGADHN CN(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(F)(F)F)C1)Cc1ccccc1 ZINC001298706205 1064511697 /nfs/dbraw/zinc/51/16/97/1064511697.db2.gz QHYHLBSEPAUSMA-MSOLQXFVSA-N 0 3 450.509 3.140 20 0 JGADHN CN(CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)C1CCCC1 ZINC001298711596 1064517165 /nfs/dbraw/zinc/51/71/65/1064517165.db2.gz ABRWCCNVJNYDSB-FQEVSTJZSA-N 0 3 466.051 3.020 20 0 JGADHN CN(CCn1c(Cc2ccccn2)nnc1N1CCN(C(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC001298712924 1064520610 /nfs/dbraw/zinc/52/06/10/1064520610.db2.gz MUCDWIYMXYUOPJ-UHFFFAOYSA-N 0 3 457.623 3.051 20 0 JGADHN CN(CCn1c(CCOc2ccccc2)nnc1N1CCN(C(C)(C)C)CC1)CC(F)(F)F ZINC001298717418 1064527406 /nfs/dbraw/zinc/52/74/06/1064527406.db2.gz MJPWKLSRQHPFCA-UHFFFAOYSA-N 0 3 468.568 3.314 20 0 JGADHN CN(CCn1c(CCc2ccccc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1)C(=O)OC(C)(C)C ZINC001298717714 1064528356 /nfs/dbraw/zinc/52/83/56/1064528356.db2.gz QDNCSPNWHNZCNJ-QHCPKHFHSA-N 0 3 498.672 3.089 20 0 JGADHN CN(CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](C(N)=O)C1)Cc1ccccc1 ZINC001298721170 1064532598 /nfs/dbraw/zinc/53/25/98/1064532598.db2.gz XCCROLUBRPJEEH-BHDDXSALSA-N 0 3 468.646 3.030 20 0 JGADHN CN(CCN1CCN(c2nnc(Cc3cccnc3)n2CC(F)(F)F)CC1)Cc1ccccc1 ZINC001298727205 1064536052 /nfs/dbraw/zinc/53/60/52/1064536052.db2.gz AYLMTVJKBRONGW-UHFFFAOYSA-N 0 3 473.547 3.080 20 0 JGADHN CN(CCN1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CC(F)(F)CO2)CC1)Cc1ccccc1 ZINC001298728535 1064541567 /nfs/dbraw/zinc/54/15/67/1064541567.db2.gz VIQGPQHAJHLPQT-NRFANRHFSA-N 0 3 476.616 3.254 20 0 JGADHN CN(C)[C@@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCS(C)(=O)=O)C1CCCCC1 ZINC001298775979 1064582540 /nfs/dbraw/zinc/58/25/40/1064582540.db2.gz CIVHMYDSJYCTOW-QHCPKHFHSA-N 0 3 486.686 3.428 20 0 JGADHN CN(C[C@H]1CCCO1)c1nnc(COc2ccc(Cl)cc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001298790942 1064591968 /nfs/dbraw/zinc/59/19/68/1064591968.db2.gz SHXJQEMMHMNMHN-OAQYLSRUSA-N 0 3 477.053 3.152 20 0 JGADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCOC(C)(C)C)CC1 ZINC001298886373 1064693854 /nfs/dbraw/zinc/69/38/54/1064693854.db2.gz GDCJGGVPRCMXLE-NRFANRHFSA-N 0 3 489.064 3.080 20 0 JGADHN CN1CCCC(C)(C)[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001298886368 1064693978 /nfs/dbraw/zinc/69/39/78/1064693978.db2.gz GCWZHOXUITZVFK-IAGOWNOFSA-N 0 3 457.541 3.250 20 0 JGADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCC(F)(F)F)CC1 ZINC001298886845 1064695765 /nfs/dbraw/zinc/69/57/65/1064695765.db2.gz HUTZGAJMCXPMTF-IBGZPJMESA-N 0 3 482.526 3.093 20 0 JGADHN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCN(Cc4ccccc4)[C@H]3C)CC2)cc1 ZINC001298887766 1064697377 /nfs/dbraw/zinc/69/73/77/1064697377.db2.gz NEDSQQNDJWSIPX-GBXCKJPGSA-N 0 3 455.624 3.175 20 0 JGADHN CN1CCN(CCn2c(N3CCO[C@@H](Cc4ccccc4)C3)nnc2C(C)(C)C)CC1(C)C ZINC001298903389 1064708381 /nfs/dbraw/zinc/70/83/81/1064708381.db2.gz OIQRNHFEZLZBHI-QFIPXVFZSA-N 0 3 454.663 3.050 20 0 JGADHN CNC(=O)[C@]1(C)CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC001299029015 1064814431 /nfs/dbraw/zinc/81/44/31/1064814431.db2.gz QTNDNNICXMSVEY-PXDATVDWSA-N 0 3 481.670 3.208 20 0 JGADHN CNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](c2cccs2)N(C)C)CC1 ZINC001299118422 1064925777 /nfs/dbraw/zinc/92/57/77/1064925777.db2.gz KBSFABUAKVMNJD-FQEVSTJZSA-N 0 3 470.618 3.335 20 0 JGADHN CN(C)CCN(Cc1ccsc1)C(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC001299153474 1064947458 /nfs/dbraw/zinc/94/74/58/1064947458.db2.gz ICVYFYUESSWYBU-UHFFFAOYSA-N 0 3 457.621 3.431 20 0 JGADHN CO[C@]1(Cn2c(-c3ccccc3Br)nnc2N2CCN(C(C)(C)C)CC2)CCOC1 ZINC001299802000 1065000054 /nfs/dbraw/zinc/00/00/54/1065000054.db2.gz OZDUUMHJBJEISR-QFIPXVFZSA-N 0 3 478.435 3.434 20 0 JGADHN CC(C)N(C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001299818275 1065012706 /nfs/dbraw/zinc/01/27/06/1065012706.db2.gz NJGDTJQCRHJREF-MRXNPFEDSA-N 0 3 453.967 3.252 20 0 JGADHN COC1(Cn2c(N3C[C@H](N4CCCN(C(C)=O)CC4)[C@@H](C)C3)nnc2C(C)(C)C)CCCCC1 ZINC001299820003 1065013660 /nfs/dbraw/zinc/01/36/60/1065013660.db2.gz BLGBWMULJVPKRA-UNMCSNQZSA-N 0 3 474.694 3.304 20 0 JGADHN COc1cc(C)c(CN(C)c2nnc(CC(C)C)n2CCN2CCN(C)C(C)(C)C2)cc1OC ZINC001299828707 1065021413 /nfs/dbraw/zinc/02/14/13/1065021413.db2.gz ZPLOHHGUJQKKJE-UHFFFAOYSA-N 0 3 472.678 3.465 20 0 JGADHN COc1cc(-c2nnc(N(C)Cc3nccs3)n2CCN2CC=CCC2)cc(OC)c1OC ZINC001299840381 1065033509 /nfs/dbraw/zinc/03/35/09/1065033509.db2.gz NCFBGOJFCLDYFI-UHFFFAOYSA-N 0 3 470.599 3.326 20 0 JGADHN COc1cc(-c2nnc(N3CCN(CC(C)C)CC3)n2C[C@]2(C)COCCO2)ccc1OC(C)C ZINC001299856861 1065065479 /nfs/dbraw/zinc/06/54/79/1065065479.db2.gz GTLGELCFVXEJTG-AREMUKBSSA-N 0 3 487.645 3.324 20 0 JGADHN COc1cc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@H]2CCCCO2)cc(OC)c1OC ZINC001299858435 1065070406 /nfs/dbraw/zinc/07/04/06/1065070406.db2.gz NXMMCGPSJIDGCL-IBGZPJMESA-N 0 3 473.618 3.461 20 0 JGADHN COc1cc(Cn2c(C(C)C)nnc2N2CCN(C3CCOCC3)C[C@H]2C)cc(OC)c1OC ZINC001299878750 1065098490 /nfs/dbraw/zinc/09/84/90/1065098490.db2.gz QAVJPLFUIHHODX-GOSISDBHSA-N 0 3 473.618 3.165 20 0 JGADHN COc1cc(Cl)ccc1-c1nnc(N2CCN(C(C)(C)C)CC2)n1CC(=O)NCc1ccco1 ZINC001299907660 1065149898 /nfs/dbraw/zinc/14/98/98/1065149898.db2.gz JYACGZGWADGYGO-UHFFFAOYSA-N 0 3 487.004 3.437 20 0 JGADHN COc1cc(Cl)ccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001299916096 1065167267 /nfs/dbraw/zinc/16/72/67/1065167267.db2.gz KZYKZGLAPPVQLA-IBGZPJMESA-N 0 3 475.037 3.498 20 0 JGADHN COc1cc(OC)cc(N(C)c2nnc(C(C)(C)C)n2CCCN2CCC[C@H]2C(=O)N(C)C)c1 ZINC001299958961 1065238075 /nfs/dbraw/zinc/23/80/75/1065238075.db2.gz WXLRRARMVFTRQA-NRFANRHFSA-N 0 3 472.634 3.303 20 0 JGADHN Cc1ccc(F)c(CN(C)c2nnc([C@@H]3CCCOC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)c1 ZINC001492211435 1065324253 /nfs/dbraw/zinc/32/42/53/1065324253.db2.gz NQYUDSJYWRCGCV-OFNKIYASSA-N 0 3 486.636 3.199 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)OC(C)(C)C3)n2CCN2CCN(C)C(C)(C)C2)cc1C ZINC001492243207 1065341506 /nfs/dbraw/zinc/34/15/06/1065341506.db2.gz AYEDVSGSIMIIOF-NRFANRHFSA-N 0 3 497.688 3.177 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(C(C)(C)C)CC3)n2CC(C)(C)N2CCOCC2)cc1 ZINC001492383947 1065449564 /nfs/dbraw/zinc/44/95/64/1065449564.db2.gz ZVRJMJPGKCDZNQ-UHFFFAOYSA-N 0 3 470.662 3.197 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(C4CCOCC4)CC3)n2CCCOC(F)(F)F)cc1 ZINC001492385641 1065453849 /nfs/dbraw/zinc/45/38/49/1065453849.db2.gz SZBKXIGDBCKFSD-UHFFFAOYSA-N 0 3 483.535 3.393 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2C[C@@H](c2cccs2)N(C)C)cc1C ZINC001492390857 1065455726 /nfs/dbraw/zinc/45/57/26/1065455726.db2.gz DIWJCIVHFPNBSW-FQEVSTJZSA-N 0 3 468.627 3.165 20 0 JGADHN Cc1ccc(OCCN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H]2N(C)CCCC2(C)C)cc1 ZINC001492418815 1065479443 /nfs/dbraw/zinc/47/94/43/1065479443.db2.gz NCEWFDNMJISMOP-JOCHJYFZSA-N 0 3 468.646 3.458 20 0 JGADHN Cc1ccc(OCCN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN(C(C)C)C2)cc1 ZINC001492421499 1065481944 /nfs/dbraw/zinc/48/19/44/1065481944.db2.gz QPQIDTPBSHRFCH-FCHUYYIVSA-N 0 3 489.686 3.124 20 0 JGADHN Cc1ccc(OCCN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN(C(C)C)C2)cc1 ZINC001492421502 1065482987 /nfs/dbraw/zinc/48/29/87/1065482987.db2.gz QPQIDTPBSHRFCH-YADHBBJMSA-N 0 3 489.686 3.124 20 0 JGADHN COCC(=O)NC1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)N2CCc3ccccc3C2)CC1 ZINC001300910126 1065707828 /nfs/dbraw/zinc/70/78/28/1065707828.db2.gz CXJLCGIFOYPXEF-HXUWFJFHSA-N 0 3 482.673 3.045 20 0 JGADHN COCC(C)(C)CCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001300925753 1065723781 /nfs/dbraw/zinc/72/37/81/1065723781.db2.gz OGVRHDSQHBIUDQ-LEWJYISDSA-N 0 3 463.667 3.314 20 0 JGADHN COC[C@H](C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001300957318 1065762430 /nfs/dbraw/zinc/76/24/30/1065762430.db2.gz FEAYLYHWXZKVCP-QZTJIDSGSA-N 0 3 478.435 3.149 20 0 JGADHN COC[C@@H](C)Cn1c(-c2ccccc2Br)nnc1N1CCN(C2CCOCC2)CC1 ZINC001300961029 1065768990 /nfs/dbraw/zinc/76/89/90/1065768990.db2.gz AYNJECIEDRBDRU-KRWDZBQOSA-N 0 3 478.435 3.291 20 0 JGADHN COC[C@@H](F)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001301045787 1065891358 /nfs/dbraw/zinc/89/13/58/1065891358.db2.gz SGRWHHCQLPEWGK-FQEVSTJZSA-N 0 3 451.974 3.132 20 0 JGADHN COC[C@H](F)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001301066279 1065916907 /nfs/dbraw/zinc/91/69/07/1065916907.db2.gz JFJZJROGIMJKFW-WIYYLYMNSA-N 0 3 461.582 3.333 20 0 JGADHN COC[C@H](F)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001301066274 1065917002 /nfs/dbraw/zinc/91/70/02/1065917002.db2.gz JFJZJROGIMJKFW-NQIIRXRSSA-N 0 3 461.582 3.333 20 0 JGADHN COC[C@@H](F)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001301082090 1065931881 /nfs/dbraw/zinc/93/18/81/1065931881.db2.gz LAEKLOMFKWKSOU-HKUYNNGSSA-N 0 3 484.041 3.367 20 0 JGADHN COCC1(C)CCN(c2nnc(Cc3ccsc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001301098580 1065945628 /nfs/dbraw/zinc/94/56/28/1065945628.db2.gz HXZYRNIXKLVJLQ-NRFANRHFSA-N 0 3 488.702 3.126 20 0 JGADHN COC[C@H]1CCCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N(C)Cc2ccccc2)C1 ZINC001301226956 1066046355 /nfs/dbraw/zinc/04/63/55/1066046355.db2.gz DXPBEKVBKPUDOR-GMAHTHKFSA-N 0 3 468.646 3.288 20 0 JGADHN COC[C@@H]1CCCCN(c2nnc(CCc3ccccc3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001301249950 1066067342 /nfs/dbraw/zinc/06/73/42/1066067342.db2.gz PPOIJRZAHNIRAA-XMMPIXPASA-N 0 3 468.690 3.342 20 0 JGADHN COC[C@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2CCC(C)CC2)C1 ZINC001301262959 1066077982 /nfs/dbraw/zinc/07/79/82/1066077982.db2.gz AUGWHNDFCQOLNU-NRFANRHFSA-N 0 3 489.686 3.333 20 0 JGADHN COC[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2cccc(OC)c2)N(C)C)C1 ZINC001301329031 1066122090 /nfs/dbraw/zinc/12/20/90/1066122090.db2.gz OMZFCEVHHMAYKX-OFNKIYASSA-N 0 3 450.587 3.048 20 0 JGADHN CCCN1CC[C@@H](NC(=O)c2cc(S(=O)(=O)N(C)c3ccc(OCC)cc3)ccc2C)C1 ZINC001301380007 1066172084 /nfs/dbraw/zinc/17/20/84/1066172084.db2.gz VITIDBSNQNMGSW-LJQANCHMSA-N 0 3 459.612 3.433 20 0 JGADHN COC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCN(C)Cc2ccc(F)cc2)C[C@@H](C)O1 ZINC001301386360 1066173563 /nfs/dbraw/zinc/17/35/63/1066173563.db2.gz CWSQEEMUUTZGMY-BVYCBKJFSA-N 0 3 461.582 3.031 20 0 JGADHN COC[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CCN2CCCCC2)C[C@H](C)O1 ZINC001301404849 1066186955 /nfs/dbraw/zinc/18/69/55/1066186955.db2.gz HGKXPJYIPYPQFX-VXKWHMMOSA-N 0 3 457.619 3.200 20 0 JGADHN COCCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCN(C(C)(C)C)CC1 ZINC001301427092 1066222127 /nfs/dbraw/zinc/22/21/27/1066222127.db2.gz QVUNMTVCYSMPOG-UHFFFAOYSA-N 0 3 481.645 3.175 20 0 JGADHN COCCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2cccs2)N(C)C)CC1 ZINC001301955491 1066259654 /nfs/dbraw/zinc/25/96/54/1066259654.db2.gz YSQOTJYQAAMTBL-IBGZPJMESA-N 0 3 476.691 3.210 20 0 JGADHN COCCC1(Cn2c(CC(C)C)nnc2N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)CCCC1 ZINC001301480139 1066301357 /nfs/dbraw/zinc/30/13/57/1066301357.db2.gz KMMKBRJCBIWHEV-ISKFKSNPSA-N 0 3 488.721 3.452 20 0 JGADHN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](C1CC1)N(C)C ZINC001301988470 1066304210 /nfs/dbraw/zinc/30/42/10/1066304210.db2.gz DUGXARWFPCDIFI-ZOCZFRKYSA-N 0 3 458.632 3.024 20 0 JGADHN O=C(Nc1cc(-c2cccnc2)nn1CCO)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001301494578 1066319495 /nfs/dbraw/zinc/31/94/95/1066319495.db2.gz UYBBKHCRCNUGAK-JOCHJYFZSA-N 0 3 459.472 3.331 20 0 JGADHN O=C(Nc1cc(-c2cccnc2)nn1CCO)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001301494581 1066319637 /nfs/dbraw/zinc/31/96/37/1066319637.db2.gz UYBBKHCRCNUGAK-QFIPXVFZSA-N 0 3 459.472 3.331 20 0 JGADHN C[C@H]([C@H](C)N(C)c1nnc(Cc2ccsc2)n1CC1(N(C)C)CCCC1)S(C)(=O)=O ZINC001301994890 1066321130 /nfs/dbraw/zinc/32/11/30/1066321130.db2.gz DWMUJYCLIDBBKT-DLBZAZTESA-N 0 3 453.678 3.063 20 0 JGADHN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccsc2)n1CC1(N(C)C)CCCC1 ZINC001301994894 1066321281 /nfs/dbraw/zinc/32/12/81/1066321281.db2.gz DWMUJYCLIDBBKT-IRXDYDNUSA-N 0 3 453.678 3.063 20 0 JGADHN COCC[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C(C)C)N2CCCC2)C1 ZINC001301507295 1066336269 /nfs/dbraw/zinc/33/62/69/1066336269.db2.gz ZSKYFUKBFVLSHX-REWPJTCUSA-N 0 3 489.686 3.332 20 0 JGADHN COCCCCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001301526948 1066354011 /nfs/dbraw/zinc/35/40/11/1066354011.db2.gz RSBTVMIJDRCNGB-BWKNWUBXSA-N 0 3 498.672 3.149 20 0 JGADHN CC(C)(C)C(=O)NCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC2CC2)CC1 ZINC001302017351 1066367261 /nfs/dbraw/zinc/36/72/61/1066367261.db2.gz WZSOBYOCDZFUGR-UHFFFAOYSA-N 0 3 463.001 3.432 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CC[C@@H]3OCCC[C@H]3C2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001302049603 1066433731 /nfs/dbraw/zinc/43/37/31/1066433731.db2.gz XGWIYKAUDVHWLW-IYSOMAHNSA-N 0 3 475.609 3.449 20 0 JGADHN C/C(=C/c1ccccc1)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@]1(N(C)C)CCSC1 ZINC001301623807 1066481987 /nfs/dbraw/zinc/48/19/87/1066481987.db2.gz OHJHFMYUBYYYLF-HLBBZWKBSA-N 0 3 468.671 3.491 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1CCc1ccn(-c2ccc(F)cc2)n1 ZINC001302077942 1066490631 /nfs/dbraw/zinc/49/06/31/1066490631.db2.gz DHJVDNVXCJHIMR-FQEVSTJZSA-N 0 3 499.635 3.490 20 0 JGADHN COCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001301632477 1066494546 /nfs/dbraw/zinc/49/45/46/1066494546.db2.gz JONOOPWEAYFJIM-IBGZPJMESA-N 0 3 465.017 3.379 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccc(-n2cccn2)cc1 ZINC001302080161 1066495929 /nfs/dbraw/zinc/49/59/29/1066495929.db2.gz OQXHNLBVTQVCFP-HXUWFJFHSA-N 0 3 467.618 3.157 20 0 JGADHN CC(=O)N(C)C1CCN(c2nnc(-c3cccn3C)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001301635074 1066497649 /nfs/dbraw/zinc/49/76/49/1066497649.db2.gz KOACJGDXSVGMAJ-HXUWFJFHSA-N 0 3 455.632 3.095 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@](C)(O)c1cc(C)oc1C ZINC001302080682 1066497815 /nfs/dbraw/zinc/49/78/15/1066497815.db2.gz UGEFCACQZVSFHC-NTKDMRAZSA-N 0 3 463.623 3.040 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccc2c(c1)OCCCO2 ZINC001302081226 1066500213 /nfs/dbraw/zinc/50/02/13/1066500213.db2.gz SAGOQHUQDIQYBC-IBGZPJMESA-N 0 3 473.618 3.132 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1Cc1ccc(Cl)cc1F ZINC001302089180 1066515730 /nfs/dbraw/zinc/51/57/30/1066515730.db2.gz LLJQSYQLOIXELU-MSOLQXFVSA-N 0 3 482.000 3.001 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCN(CC(C)C)CC2)n1Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001302092338 1066520755 /nfs/dbraw/zinc/52/07/55/1066520755.db2.gz ILHJEIIDYMOYAL-RBUKOAKNSA-N 0 3 476.691 3.410 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCN(CC(C)C)CC2)n1Cc1ccc2c(n1)CCCC2 ZINC001302094296 1066522727 /nfs/dbraw/zinc/52/27/27/1066522727.db2.gz PNROYNUXBZBVPI-HXUWFJFHSA-N 0 3 456.635 3.102 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1C[C@@H]1CCSC1(C)C ZINC001302095739 1066525722 /nfs/dbraw/zinc/52/57/22/1066525722.db2.gz WNQGWXLARYPJQP-UFYCRDLUSA-N 0 3 481.707 3.223 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCN(C3CCC(C)CC3)CC2)n1C[C@](C)(O)c1ccco1 ZINC001302096215 1066526648 /nfs/dbraw/zinc/52/66/48/1066526648.db2.gz YEOXFPKLZRIUDF-FTZALPFQSA-N 0 3 475.634 3.204 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@@H](c1ccccc1)N(C)C ZINC001302100202 1066533427 /nfs/dbraw/zinc/53/34/27/1066533427.db2.gz WZUNBRMKBBNRDF-NEWSRXKRSA-N 0 3 471.524 3.073 20 0 JGADHN CC(C)(C)Cc1nnc(N2CCC(CN3CCOCC3)CC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001302135999 1066581866 /nfs/dbraw/zinc/58/18/66/1066581866.db2.gz OUWQHTLYWBJVMM-HXUWFJFHSA-N 0 3 486.627 3.300 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3CCc3cccs3)C[C@H]2C)CC1 ZINC001301707064 1066596784 /nfs/dbraw/zinc/59/67/84/1066596784.db2.gz AYURTEOKLHBSHG-WIYYLYMNSA-N 0 3 458.676 3.259 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3CC(=O)Nc3c(C)cccc3C)C[C@H]2C)CC1 ZINC001301707108 1066597034 /nfs/dbraw/zinc/59/70/34/1066597034.db2.gz BHKPKTKVWUXCNS-FYYLOGMGSA-N 0 3 495.672 3.036 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)C)n3Cc3ccc(C)cc3C)C[C@@H]2C)CC1 ZINC001301707301 1066597450 /nfs/dbraw/zinc/59/74/50/1066597450.db2.gz BSPIMKGJEPVBJW-URXFXBBRSA-N 0 3 452.647 3.446 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)(C)C)n3Cc3nc(C)c(C)s3)C[C@@H]2C)CC1 ZINC001301707586 1066598139 /nfs/dbraw/zinc/59/81/39/1066598139.db2.gz DIKUQEVNTQWCOF-LAUBAEHRSA-N 0 3 487.718 3.367 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)C)n3CCCOc3ccccc3)C[C@@H]2C)CC1 ZINC001301708295 1066600146 /nfs/dbraw/zinc/60/01/46/1066600146.db2.gz KVVNWQHAKNDLJJ-URXFXBBRSA-N 0 3 468.646 3.250 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3C[C@@H](C)Oc3ccccc3F)C[C@H]2C)CC1 ZINC001301708286 1066600173 /nfs/dbraw/zinc/60/01/73/1066600173.db2.gz KTWABRMWDZVYRF-TXTKFYIRSA-N 0 3 486.636 3.387 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C)n3CC(C)(C)c3ccccc3F)C[C@H]2C)CC1 ZINC001301708275 1066600191 /nfs/dbraw/zinc/60/01/91/1066600191.db2.gz KPAXBXMSARKVFR-WZONZLPQSA-N 0 3 456.610 3.082 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3C[C@@H](C)N(C)c3ccccc3)C[C@H]2C)CC1 ZINC001301708337 1066600693 /nfs/dbraw/zinc/60/06/93/1066600693.db2.gz LRIMZIFRAKPRAY-TZBSWOFLSA-N 0 3 481.689 3.305 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3CCCOCCC(C)C)C[C@@H]2C)CC1 ZINC001301708740 1066601972 /nfs/dbraw/zinc/60/19/72/1066601972.db2.gz PSCSXEGZXYVYQH-JTHBVZDNSA-N 0 3 462.683 3.233 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC4CCCC4)n3CCOC(C)(C)C)C[C@@H]2C)CC1 ZINC001301709650 1066603654 /nfs/dbraw/zinc/60/36/54/1066603654.db2.gz VPAAXHVZKARLPO-NZQKXSOJSA-N 0 3 474.694 3.205 20 0 JGADHN CC(C)(C)Cc1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CCCN1CCc2ccccc2C1 ZINC001302153555 1066607529 /nfs/dbraw/zinc/60/75/29/1066607529.db2.gz DVRKSEQUJYUUMB-FQEVSTJZSA-N 0 3 452.647 3.407 20 0 JGADHN CC(C)(C)Cc1nnc(N2CCCN(S(=O)(=O)c3ccccc3)CC2)n1CCN1CC=CCC1 ZINC001302163941 1066624391 /nfs/dbraw/zinc/62/43/91/1066624391.db2.gz UJILQHTWUZOKMR-UHFFFAOYSA-N 0 3 486.686 3.030 20 0 JGADHN CC(C)(C)Cc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1Cc1cccc(C(F)(F)F)n1 ZINC001302175320 1066648605 /nfs/dbraw/zinc/64/86/05/1066648605.db2.gz DTECNRICEVCWCT-QGZVFWFLSA-N 0 3 466.552 3.487 20 0 JGADHN COCCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2ccsc2)N(C)C)C1 ZINC001302176878 1066651882 /nfs/dbraw/zinc/65/18/82/1066651882.db2.gz WNKVQAAPOCGMAT-PZJWPPBQSA-N 0 3 456.616 3.255 20 0 JGADHN COCCN(C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)C[C@@H](C)C1 ZINC001301732128 1066652068 /nfs/dbraw/zinc/65/20/68/1066652068.db2.gz REPSAGJKUQYOLG-WOJBJXKFSA-N 0 3 478.682 3.453 20 0 JGADHN COCCN(C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](n2cc(C)cn2)C1 ZINC001301733489 1066654031 /nfs/dbraw/zinc/65/40/31/1066654031.db2.gz GMAPMDXBEMYAIU-IBGZPJMESA-N 0 3 473.572 3.072 20 0 JGADHN COCCN(C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](c2nc(C)cs2)C1 ZINC001301734961 1066656626 /nfs/dbraw/zinc/65/66/26/1066656626.db2.gz TZIKGMBZLFZMEH-FQEVSTJZSA-N 0 3 492.596 3.068 20 0 JGADHN COCCN(C)CCn1c(Cc2cccnc2)nnc1N1Cc2cccc(Br)c2C1 ZINC001301735217 1066656656 /nfs/dbraw/zinc/65/66/56/1066656656.db2.gz XGUMPLAFWRJUFK-UHFFFAOYSA-N 0 3 471.403 3.125 20 0 JGADHN COCCN(C)CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCOCC2(CC2)C1 ZINC001301735939 1066657886 /nfs/dbraw/zinc/65/78/86/1066657886.db2.gz GRAWAPLVPBAZSL-UHFFFAOYSA-N 0 3 484.428 3.359 20 0 JGADHN COCCN(C)CCn1c(COc2ccc(Br)cc2)nnc1N1CCSC[C@H]1C ZINC001301736906 1066659258 /nfs/dbraw/zinc/65/92/58/1066659258.db2.gz QFIGNEHFLANATQ-MRXNPFEDSA-N 0 3 484.464 3.140 20 0 JGADHN CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 ZINC001301743488 1066667557 /nfs/dbraw/zinc/66/75/57/1066667557.db2.gz TWYLLJUHEQFPGN-NRFANRHFSA-N 0 3 456.591 3.041 20 0 JGADHN COCCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCCC1)[C@H]1CC[C@H](C)C1 ZINC001301757176 1066689660 /nfs/dbraw/zinc/68/96/60/1066689660.db2.gz KVDVUFRDNGGCRO-HBMCJLEFSA-N 0 3 481.707 3.086 20 0 JGADHN COCCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCCC1)[C@@H]1CC[C@H](C)C1 ZINC001301757179 1066690282 /nfs/dbraw/zinc/69/02/82/1066690282.db2.gz KVDVUFRDNGGCRO-PWRODBHTSA-N 0 3 481.707 3.086 20 0 JGADHN COCCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCCC1)[C@H]1CC[C@@H](C)C1 ZINC001301757178 1066690477 /nfs/dbraw/zinc/69/04/77/1066690477.db2.gz KVDVUFRDNGGCRO-NJYVYQBISA-N 0 3 481.707 3.086 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(CCCc3ccccc3)n2CC(=O)NCC(F)(F)F)CC1 ZINC001302202169 1066697937 /nfs/dbraw/zinc/69/79/37/1066697937.db2.gz GCFRWKZHAQDACC-UHFFFAOYSA-N 0 3 466.552 3.052 20 0 JGADHN CC(C)(C)N1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(Br)n2)CC1 ZINC001302203081 1066699270 /nfs/dbraw/zinc/69/92/70/1066699270.db2.gz NTFVXHLJNKWGKJ-INIZCTEOSA-N 0 3 463.424 3.298 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCSC2)CC1 ZINC001302203701 1066700035 /nfs/dbraw/zinc/70/00/35/1066700035.db2.gz VUSFBEDUCRXRTO-KRWDZBQOSA-N 0 3 462.689 3.333 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(Cc3ccccc3F)n2CCCOC[C@@H]2CCOC2)CC1 ZINC001302203541 1066700049 /nfs/dbraw/zinc/70/00/49/1066700049.db2.gz UCYYOYWKNJULOD-FQEVSTJZSA-N 0 3 459.610 3.372 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(COc3ccccc3F)n2CCNC(=O)c2cccs2)CC1 ZINC001302203994 1066701182 /nfs/dbraw/zinc/70/11/82/1066701182.db2.gz BJNACGRDWSRFIL-UHFFFAOYSA-N 0 3 486.617 3.408 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@@]2(O)CCOC2)CC1 ZINC001302204163 1066701414 /nfs/dbraw/zinc/70/14/14/1066701414.db2.gz XGXMVGTVOWMSOM-NRFANRHFSA-N 0 3 498.853 3.433 20 0 JGADHN CC(C)(C)NC(=O)CCn1c(-c2cccnc2)nnc1N1CCN(CCc2ccccc2)CC1 ZINC001302212533 1066714572 /nfs/dbraw/zinc/71/45/72/1066714572.db2.gz OVUKHMPGLHPLDP-UHFFFAOYSA-N 0 3 461.614 3.010 20 0 JGADHN COCCN(Cc1ccc(C)o1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1N(C)CCCC1(C)C ZINC001301779102 1066727064 /nfs/dbraw/zinc/72/70/64/1066727064.db2.gz ZOAXVDFCFFGSHI-FQEVSTJZSA-N 0 3 460.623 3.091 20 0 JGADHN CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCN(C(C)(C)C)CC3)n2CCc2cn[nH]c2)C1 ZINC001302223954 1066734796 /nfs/dbraw/zinc/73/47/96/1066734796.db2.gz ILKBUFTWMOGDEZ-HXUWFJFHSA-N 0 3 486.665 3.279 20 0 JGADHN CC(=O)Nc1ccc(Cn2c(Cc3ccccc3C)nnc2N2CCN(C(C)(C)C)CC2)cn1 ZINC001301788667 1066738568 /nfs/dbraw/zinc/73/85/68/1066738568.db2.gz PJKYGMLQKZHTFM-UHFFFAOYSA-N 0 3 461.614 3.500 20 0 JGADHN CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCN(C)Cc2ccc(F)cc2)C1 ZINC001301817629 1066776489 /nfs/dbraw/zinc/77/64/89/1066776489.db2.gz FVISHZZONJZRQX-NRFANRHFSA-N 0 3 485.995 3.370 20 0 JGADHN CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CCN(C)Cc2ccc(F)cc2)C1 ZINC001301819223 1066780082 /nfs/dbraw/zinc/78/00/82/1066780082.db2.gz SOJKJRPKVAFYIN-OAQYLSRUSA-N 0 3 454.550 3.223 20 0 JGADHN COCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001301826823 1066791586 /nfs/dbraw/zinc/79/15/86/1066791586.db2.gz ZXQMXBRBKZXAEB-UHFFFAOYSA-N 0 3 482.398 3.042 20 0 JGADHN CC(=O)N[C@@H]1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](c2cccc(F)c2)N(C)C)C1 ZINC001301830424 1066796446 /nfs/dbraw/zinc/79/64/46/1066796446.db2.gz YGUPFKPNRKKURE-IRLDBZIGSA-N 0 3 485.633 3.181 20 0 JGADHN CC(=O)NC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 ZINC001301840727 1066812102 /nfs/dbraw/zinc/81/21/02/1066812102.db2.gz NEFJKCQITDBXGV-QHCPKHFHSA-N 0 3 465.577 3.195 20 0 JGADHN COCCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001301844035 1066816589 /nfs/dbraw/zinc/81/65/89/1066816589.db2.gz GARVBOBCUBKYIJ-OAQYLSRUSA-N 0 3 458.676 3.130 20 0 JGADHN CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@@H](c2ccc(F)cc2)N(C)C)C1 ZINC001301856612 1066837262 /nfs/dbraw/zinc/83/72/62/1066837262.db2.gz GQEFZUCMSKOKRN-CVDCTZTESA-N 0 3 465.577 3.135 20 0 JGADHN CC(C)C[C@H](C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC001301866297 1066857431 /nfs/dbraw/zinc/85/74/31/1066857431.db2.gz BQMNKXIUMZRMPW-JGSPDANKSA-N 0 3 451.611 3.379 20 0 JGADHN CC(=O)NCC1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)N2CCc3ccccc3C2)CC1 ZINC001301873447 1066872157 /nfs/dbraw/zinc/87/21/57/1066872157.db2.gz YVLDKQTZSWPHAS-IBGZPJMESA-N 0 3 452.647 3.375 20 0 JGADHN COCCN1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccccc2OC)N2CCCC2)CC1 ZINC001301874856 1066875658 /nfs/dbraw/zinc/87/56/58/1066875658.db2.gz QLBKLOAKCWSQCO-JOCHJYFZSA-N 0 3 470.662 3.190 20 0 JGADHN CC(=O)NCC1CCN(c2nnc(CC(C)(C)C)n2CCN(C)Cc2ccc(F)cc2)CC1 ZINC001301885918 1066895520 /nfs/dbraw/zinc/89/55/20/1066895520.db2.gz BAZDRQQALUNCIE-UHFFFAOYSA-N 0 3 458.626 3.490 20 0 JGADHN COCCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCn2ccnc2C)CC1 ZINC001301886334 1066897083 /nfs/dbraw/zinc/89/70/83/1066897083.db2.gz VOWYICAUGLTAIZ-UHFFFAOYSA-N 0 3 488.434 3.071 20 0 JGADHN CC(C)(C)OCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)(C)C)CC1 ZINC001302310034 1066902757 /nfs/dbraw/zinc/90/27/57/1066902757.db2.gz VQOJBPWBVNFPGG-LJQANCHMSA-N 0 3 494.681 3.322 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(CC(C)C)CC2)n1C[C@H]1CCCO[C@H]1C(C)C ZINC001302310415 1066903511 /nfs/dbraw/zinc/90/35/11/1066903511.db2.gz ANLIGZGQBWUNLM-LDVJMBRRSA-N 0 3 463.667 3.231 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(CC(C)C)CC2)n1CCc1ccc(F)cc1C ZINC001302310949 1066904501 /nfs/dbraw/zinc/90/45/01/1066904501.db2.gz GASWDPPQXHDNFZ-GMAHTHKFSA-N 0 3 459.610 3.470 20 0 JGADHN COCCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CN(CC(C)C)CCO2)C[C@H]1C ZINC001301888784 1066904852 /nfs/dbraw/zinc/90/48/52/1066904852.db2.gz PHIGIMWNLZFYPZ-OFNKIYASSA-N 0 3 491.080 3.112 20 0 JGADHN CC(C)(C)[S@](=O)CCn1c(-c2ccccc2F)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001302325099 1066924340 /nfs/dbraw/zinc/92/43/40/1066924340.db2.gz WSTLFEVOZREHSE-MGBGTMOVSA-N 0 3 477.650 3.180 20 0 JGADHN COCCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2ccccc2Cl)N(C)C)C[C@@H]1C ZINC001301900104 1066924780 /nfs/dbraw/zinc/92/47/80/1066924780.db2.gz XBDMIUOTFOXQMM-AVRDEDQJSA-N 0 3 472.037 3.386 20 0 JGADHN CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](c2ccsc2)N(C)C)CCO1 ZINC001301900353 1066925329 /nfs/dbraw/zinc/92/53/29/1066925329.db2.gz LNMFUGKVGUXLEK-LEWJYISDSA-N 0 3 489.045 3.304 20 0 JGADHN CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1CCCCN1CCOCC1 ZINC001302334197 1066933163 /nfs/dbraw/zinc/93/31/63/1066933163.db2.gz AZIPHMMQGPVMNZ-FGZHOGPDSA-N 0 3 476.710 3.230 20 0 JGADHN COCCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](c2cccc(F)c2)N(C)C)C[C@@H]1C ZINC001301911969 1066938544 /nfs/dbraw/zinc/93/85/44/1066938544.db2.gz JABYNOZOBJLWHK-PMOQBDJRSA-N 0 3 474.625 3.119 20 0 JGADHN CC(C)(Cn1c(COc2ccc(Cl)cc2)nnc1N1CCS(=O)CC1)N1CCCCC1 ZINC001302345253 1066942626 /nfs/dbraw/zinc/94/26/26/1066942626.db2.gz NIGYCEIDKVAFCT-UHFFFAOYSA-N 0 3 466.051 3.344 20 0 JGADHN CC(C)(CN1CCCC1)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001302349671 1066944793 /nfs/dbraw/zinc/94/47/93/1066944793.db2.gz FWMVMPMVDCELFC-HXUWFJFHSA-N 0 3 477.650 3.143 20 0 JGADHN CC(C)(O)CCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001302353293 1066946467 /nfs/dbraw/zinc/94/64/67/1066946467.db2.gz HHQQWHKHTREWOG-UHFFFAOYSA-N 0 3 478.435 3.170 20 0 JGADHN CC(=O)NCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001301916388 1066946863 /nfs/dbraw/zinc/94/68/63/1066946863.db2.gz LDQLREACTKCNPS-RUZDIDTESA-N 0 3 495.716 3.374 20 0 JGADHN CO[C@@H]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN2CCCC(C)(C)C2)C1 ZINC001302367176 1066956533 /nfs/dbraw/zinc/95/65/33/1066956533.db2.gz VQLREWIMIOHBBP-OAQYLSRUSA-N 0 3 454.619 3.494 20 0 JGADHN CC(C)C(=O)N1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 ZINC001302394297 1066974241 /nfs/dbraw/zinc/97/42/41/1066974241.db2.gz XSRPBQKBUCYMSJ-JOCHJYFZSA-N 0 3 467.593 3.410 20 0 JGADHN CC(C)C(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001302404482 1066986112 /nfs/dbraw/zinc/98/61/12/1066986112.db2.gz QYHVCUGEHVYBQN-MOPGFXCFSA-N 0 3 460.648 3.189 20 0 JGADHN CC(C)C(=O)NC1CCN(c2nnc(-c3cccn3C)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 ZINC001302420536 1067005832 /nfs/dbraw/zinc/00/58/32/1067005832.db2.gz GGPBBUCXLLBPSJ-QHCPKHFHSA-N 0 3 481.620 3.467 20 0 JGADHN CS(=O)(=O)c1cccc(-c2nnc(N3CCC[C@@H](C(F)F)C3)n2CCCN2CCCC2)c1 ZINC001302428661 1067014361 /nfs/dbraw/zinc/01/43/61/1067014361.db2.gz APILYQHUKGDILS-GOSISDBHSA-N 0 3 467.586 3.316 20 0 JGADHN CC(C)C(=O)NC1CCN(c2nnc([C@H]3CCCO3)n2CCN(C)Cc2ccccc2)CC1 ZINC001302430548 1067016826 /nfs/dbraw/zinc/01/68/26/1067016826.db2.gz BNJYCPNMNTZYEM-JOCHJYFZSA-N 0 3 454.619 3.003 20 0 JGADHN CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2ccsc2)N(C)C)C1 ZINC001302432591 1067022452 /nfs/dbraw/zinc/02/24/52/1067022452.db2.gz YHXXNQSMGCDBKN-WIYYLYMNSA-N 0 3 484.674 3.032 20 0 JGADHN CS(=O)(=O)CCCn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(C2CCCC2)CC1 ZINC001302456294 1067057918 /nfs/dbraw/zinc/05/79/18/1067057918.db2.gz PRRCGTMKVCWYMH-UHFFFAOYSA-N 0 3 466.051 3.488 20 0 JGADHN Cc1nc(CN2CCN(c3nnc(C(C)C)n3CCN(C)Cc3ccccc3)CC2)oc1C ZINC001304042044 1067085137 /nfs/dbraw/zinc/08/51/37/1067085137.db2.gz QLIGGAHGCYOTRK-UHFFFAOYSA-N 0 3 451.619 3.461 20 0 JGADHN Cc1nc([C@H]2CCCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CC(C)(C)CN(C)C)C2)sc1C ZINC001304044205 1067086618 /nfs/dbraw/zinc/08/66/18/1067086618.db2.gz CUGPJXSWIQENOT-OALUTQOASA-N 0 3 494.731 3.225 20 0 JGADHN Cc1nc([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CCN3CCC[C@H]3C)C2)sc1C ZINC001304045433 1067087937 /nfs/dbraw/zinc/08/79/37/1067087937.db2.gz PQVKQYSPPUZADG-VQIMIIECSA-N 0 3 459.664 3.358 20 0 JGADHN Cc1nc(CCn2c(N3CCN(CC(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)sc1C ZINC001304050979 1067093055 /nfs/dbraw/zinc/09/30/55/1067093055.db2.gz VDVRTBMSQSBSAV-DEOSSOPVSA-N 0 3 476.691 3.413 20 0 JGADHN CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001302509843 1067116662 /nfs/dbraw/zinc/11/66/62/1067116662.db2.gz HRAYSIFYPQNDMA-OAQYLSRUSA-N 0 3 489.753 3.270 20 0 JGADHN CC(C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)N1CCCC1 ZINC001302515630 1067133825 /nfs/dbraw/zinc/13/38/25/1067133825.db2.gz ZPRPGOYZOGLVKP-RBUKOAKNSA-N 0 3 481.066 3.127 20 0 JGADHN CC(C)[C@H](Cn1c(Cc2ccsc2)nnc1N1CCC(S(C)(=O)=O)CC1)N1CCCC1 ZINC001302526361 1067150488 /nfs/dbraw/zinc/15/04/88/1067150488.db2.gz TWNGQRWCKXZKIZ-FQEVSTJZSA-N 0 3 465.689 3.064 20 0 JGADHN CC(C)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(F)c(F)c(F)c1)N1CCCC1 ZINC001302527539 1067154164 /nfs/dbraw/zinc/15/41/64/1067154164.db2.gz YIISHQKXVGREIA-FXAWDEMLSA-N 0 3 499.603 3.354 20 0 JGADHN CC(C)[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)N1CCCC1 ZINC001302529119 1067157782 /nfs/dbraw/zinc/15/77/82/1067157782.db2.gz RXZAZLBQOMFFAF-CTNGQTDRSA-N 0 3 496.077 3.254 20 0 JGADHN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@H](C(N)=O)C2)n1CCN1CCCCC1 ZINC001304141551 1067183583 /nfs/dbraw/zinc/18/35/83/1067183583.db2.gz QHXMDYZXMFBCKD-MOPGFXCFSA-N 0 3 475.037 3.486 20 0 JGADHN CS[C@@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001302548638 1067185506 /nfs/dbraw/zinc/18/55/06/1067185506.db2.gz RYGQWXALAUQPJZ-WMZOPIPTSA-N 0 3 496.523 3.392 20 0 JGADHN Cc1ccc(NC(=O)CSCC(=O)N2CCCN(Cc3ccccc3)CCOCC2)cc1 ZINC001304164902 1067211862 /nfs/dbraw/zinc/21/18/62/1067211862.db2.gz TUXBJATUHFVSOG-UHFFFAOYSA-N 0 3 455.624 3.418 20 0 JGADHN COc1cc(C(=O)N2CCCN(Cc3ccccc3)CCOCC2)cc(NC(C)=O)c1OC ZINC001304166066 1067212690 /nfs/dbraw/zinc/21/26/90/1067212690.db2.gz QFZDWRQYSONBRQ-UHFFFAOYSA-N 0 3 455.555 3.027 20 0 JGADHN CS[C@H](Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1)C(C)(C)C ZINC001302589829 1067226702 /nfs/dbraw/zinc/22/67/02/1067226702.db2.gz BWQFNSADZNGKOR-BDKRGJGYSA-N 0 3 492.734 3.286 20 0 JGADHN CC(C)c1nnc(N2CCC(CN3CCOCC3)CC2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001302629554 1067260005 /nfs/dbraw/zinc/26/00/05/1067260005.db2.gz PYDZTNKCMBETSB-UHFFFAOYSA-N 0 3 464.655 3.253 20 0 JGADHN CC(C)c1nnc(N2CCC(CN3CCOCC3)CC2)n1CCCCNC(=O)OC(C)(C)C ZINC001302629636 1067260168 /nfs/dbraw/zinc/26/01/68/1067260168.db2.gz SUGYYRZLRFLDJU-UHFFFAOYSA-N 0 3 464.655 3.255 20 0 JGADHN CC(C)c1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CCOc1ncccc1Cl ZINC001302633884 1067262667 /nfs/dbraw/zinc/26/26/67/1067262667.db2.gz RBBOFGCNGCNHTP-LJQANCHMSA-N 0 3 462.042 3.134 20 0 JGADHN CC(C)c1nnc(N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001302654057 1067281503 /nfs/dbraw/zinc/28/15/03/1067281503.db2.gz AVGUBBCYIBEHNA-FQEVSTJZSA-N 0 3 477.698 3.169 20 0 JGADHN Cc1cccc(OCCN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2N(C)CCCC2(C)C)c1 ZINC001304251140 1067286433 /nfs/dbraw/zinc/28/64/33/1067286433.db2.gz WNMXAGMFAIJZIF-OAQYLSRUSA-N 0 3 456.635 3.360 20 0 JGADHN Cc1ccc(C(=O)NCCn2c(CC(C)(C)C)nnc2N2CCN(CC3CCOCC3)CC2)cc1 ZINC001304267607 1067300072 /nfs/dbraw/zinc/30/00/72/1067300072.db2.gz VAYXJIQYUUTPSF-UHFFFAOYSA-N 0 3 482.673 3.154 20 0 JGADHN CC(C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@H](c1ccccc1Cl)N(C)C ZINC001302675582 1067301148 /nfs/dbraw/zinc/30/11/48/1067301148.db2.gz YROGVQAYAQGTRV-JOCHJYFZSA-N 0 3 488.080 3.102 20 0 JGADHN Cc1ccc([C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC3(CCCC3)C2)N(C)C)cc1 ZINC001304272731 1067308527 /nfs/dbraw/zinc/30/85/27/1067308527.db2.gz HTPWMFJFSMWWRX-FPOVZHCZSA-N 0 3 474.675 3.270 20 0 JGADHN Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(C4CCOCC4)CC3)n2CC(C)(C)O)c1 ZINC001304274266 1067310712 /nfs/dbraw/zinc/31/07/12/1067310712.db2.gz NPQAQGDOJZXDBB-UHFFFAOYSA-N 0 3 471.646 3.361 20 0 JGADHN Cc1ccc([C@@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC=C(Br)C2)N(C)C)cc1 ZINC001304275985 1067314053 /nfs/dbraw/zinc/31/40/53/1067314053.db2.gz RDICLZLKEAZINO-RBUKOAKNSA-N 0 3 473.419 3.329 20 0 JGADHN Cc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)N(C)C)cc1 ZINC001304276740 1067315423 /nfs/dbraw/zinc/31/54/23/1067315423.db2.gz URUHZZSHOVECIU-SFTDATJTSA-N 0 3 499.660 3.131 20 0 JGADHN Cc1ccc([C@H](C)Cn2c(CC(C)C)nnc2N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC001304276731 1067315494 /nfs/dbraw/zinc/31/54/94/1067315494.db2.gz UQPCVCFVQMNDOX-JOCHJYFZSA-N 0 3 452.647 3.333 20 0 JGADHN Cc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H]2c2cnn(C)c2)N(C)C)cc1 ZINC001304277597 1067316120 /nfs/dbraw/zinc/31/61/20/1067316120.db2.gz XSJXMVCSXAAOCZ-YADHBBJMSA-N 0 3 464.618 3.103 20 0 JGADHN Cc1ccc([C@H](Cn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C(F)(F)F)C2)N(C)C)cc1 ZINC001304277798 1067316639 /nfs/dbraw/zinc/31/66/39/1067316639.db2.gz FXKYWXMVZRYXBD-FHWLQOOXSA-N 0 3 453.509 3.161 20 0 JGADHN CC(C)c1nnc(N2CCN(CC3CCOCC3)CC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001302692871 1067318208 /nfs/dbraw/zinc/31/82/08/1067318208.db2.gz PNIBKBKXCMXNBG-LJQANCHMSA-N 0 3 464.655 3.206 20 0 JGADHN Cc1ccc([C@H](Cn2c(N3CCC(CO)CC3)nnc2[C@@]2(OC(C)C)CCOC2)N(C)C)cc1 ZINC001304278566 1067318596 /nfs/dbraw/zinc/31/85/96/1067318596.db2.gz SLBXADNLOOGYDS-JYFHCDHNSA-N 0 3 471.646 3.139 20 0 JGADHN Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@@H](C(C)C)N2CCCC2)c1 ZINC001304289123 1067334192 /nfs/dbraw/zinc/33/41/92/1067334192.db2.gz SNIZJUYSFJFJHI-YADHBBJMSA-N 0 3 489.686 3.218 20 0 JGADHN Cc1ccc(-c2nnc(N3CC[C@H](CN4CCCCC4)C3)n2CCS(=O)(=O)C(C)(C)C)o1 ZINC001304310404 1067358210 /nfs/dbraw/zinc/35/82/10/1067358210.db2.gz KISDHMVSRFEXLL-LJQANCHMSA-N 0 3 463.648 3.372 20 0 JGADHN CSCCCCCn1c(CC2CC2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001302757383 1067361196 /nfs/dbraw/zinc/36/11/96/1067361196.db2.gz UIEJORIBRKSXPN-DENIHFKCSA-N 0 3 462.708 3.143 20 0 JGADHN CC(C)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 ZINC001302760412 1067362600 /nfs/dbraw/zinc/36/26/00/1067362600.db2.gz GSAJLVPLMOXGOC-CTNGQTDRSA-N 0 3 451.681 3.173 20 0 JGADHN CC(C)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCCC[C@@H]2C)CC1 ZINC001302762181 1067363637 /nfs/dbraw/zinc/36/36/37/1067363637.db2.gz PXJOPQBOCCUYIO-PZJWPPBQSA-N 0 3 451.681 3.317 20 0 JGADHN CSCCCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCN(C)C(C)(C)C1 ZINC001302776367 1067373697 /nfs/dbraw/zinc/37/36/97/1067373697.db2.gz GLFOJCMJTCVXBL-UHFFFAOYSA-N 0 3 487.718 3.363 20 0 JGADHN Cc1ccc(-c2nnc(N3CCN(CCOC(C)C)CC3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)o1 ZINC001304325479 1067374458 /nfs/dbraw/zinc/37/44/58/1067374458.db2.gz VIYQFPRZCIYLHR-VXKWHMMOSA-N 0 3 488.677 3.281 20 0 JGADHN Cc1ccc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCN(CC(C)C)CC2)c(=O)n1C ZINC001304362997 1067401124 /nfs/dbraw/zinc/40/11/24/1067401124.db2.gz SBIVDZIDUGNMHK-UHFFFAOYSA-N 0 3 485.032 3.344 20 0 JGADHN CSCCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001302815595 1067402298 /nfs/dbraw/zinc/40/22/98/1067402298.db2.gz WSXPQBIUGJROFZ-UHFFFAOYSA-N 0 3 465.614 3.449 20 0 JGADHN CC(C)C[C@@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](S(C)(=O)=O)C1)N(C)C ZINC001302818648 1067406626 /nfs/dbraw/zinc/40/66/26/1067406626.db2.gz NYGOKOTXNFTZCJ-OALUTQOASA-N 0 3 472.659 3.416 20 0 JGADHN Cc1ccc(CSCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CC(C)C)CC2)cc1 ZINC001304366941 1067406710 /nfs/dbraw/zinc/40/67/10/1067406710.db2.gz LXFQRVHEDQYRTC-NRFANRHFSA-N 0 3 456.660 3.249 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N(C)Cc3ccco3)n2C[C@H]2CCCN2CCCO)cc1C ZINC001304373971 1067412590 /nfs/dbraw/zinc/41/25/90/1067412590.db2.gz GXONFMBOMHCYRT-OAQYLSRUSA-N 0 3 466.586 3.223 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C)[C@H]3C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)cc1C ZINC001304376720 1067418610 /nfs/dbraw/zinc/41/86/10/1067418610.db2.gz AGEUURHULHSEHE-XKCSPQBFSA-N 0 3 495.672 3.325 20 0 JGADHN O=C(N[C@@H]1CCC[C@@H]1N1CCC(O)CC1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC001302835079 1067422462 /nfs/dbraw/zinc/42/24/62/1067422462.db2.gz NPBWEDVMIUTQOL-CABCVRRESA-N 0 3 451.283 3.455 20 0 JGADHN CC(C)Cc1nnc(N(C)C[C@H](c2cccs2)N2CCOCC2)n1CCN1CC=CCC1 ZINC001302839905 1067426418 /nfs/dbraw/zinc/42/64/18/1067426418.db2.gz JUFQBFQZUFEYDC-OAQYLSRUSA-N 0 3 458.676 3.310 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCN(CC(C)C)CC3)n2CC(C)(C)N2CCOCC2)cc1C ZINC001304382242 1067430548 /nfs/dbraw/zinc/43/05/48/1067430548.db2.gz FLTYBKOPTMOFQM-UHFFFAOYSA-N 0 3 497.688 3.036 20 0 JGADHN CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F ZINC001302853899 1067438207 /nfs/dbraw/zinc/43/82/07/1067438207.db2.gz ZDSIEBVLMPRQKA-XPNTWCBSSA-N 0 3 450.501 3.311 20 0 JGADHN C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCN(C)Cc2ccc(F)cc2)C[C@H]1C(F)(F)F ZINC001302856597 1067439537 /nfs/dbraw/zinc/43/95/37/1067439537.db2.gz TTYSRUVPMIYQJN-ZTFGCOKTSA-N 0 3 468.499 3.135 20 0 JGADHN Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(CC(C)C)n3CCN3CC=CCC3)C2)nc1 ZINC001304386308 1067440420 /nfs/dbraw/zinc/44/04/20/1067440420.db2.gz DFKNZLSTKGBKNT-OAQYLSRUSA-N 0 3 451.619 3.297 20 0 JGADHN Cc1ccc(NC(=O)[C@@H]2CCCN(c3nnc(C(C)(C)C)n3CCN3CCN(C)C(C)(C)C3)C2)nc1 ZINC001304386305 1067440438 /nfs/dbraw/zinc/44/04/38/1067440438.db2.gz CXEJNMPFCHXGJG-OAQYLSRUSA-N 0 3 496.704 3.160 20 0 JGADHN C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCN(C)Cc2ccc(F)cc2)C[C@@H]1F ZINC001302862977 1067445548 /nfs/dbraw/zinc/44/55/48/1067445548.db2.gz VBGQEQWHQDMURC-APWZRJJASA-N 0 3 474.581 3.335 20 0 JGADHN C[C@H](Cn1c(Cc2ccccc2F)nnc1N1CCN(CC2CC2)CC1)NC(=O)OC(C)(C)C ZINC001302870707 1067450795 /nfs/dbraw/zinc/45/07/95/1067450795.db2.gz FBTHQNYBLANQLL-GOSISDBHSA-N 0 3 472.609 3.453 20 0 JGADHN Cc1ccc(O[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CCCC3)CC2)cc1 ZINC001304394287 1067454994 /nfs/dbraw/zinc/45/49/94/1067454994.db2.gz ZBRUGJDPXCGNGF-HXUWFJFHSA-N 0 3 454.619 3.257 20 0 JGADHN C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C2CCCCC2)N(C)C)C[C@H](C)O1 ZINC001302882487 1067463892 /nfs/dbraw/zinc/46/38/92/1067463892.db2.gz IYVDOZPSROGLJT-SELNLUPBSA-N 0 3 489.686 3.473 20 0 JGADHN Cc1ccc(OCc2nnc(N(C)CC3CCOCC3)n2CCN2CCN(C)C(C)(C)C2)cc1C ZINC001304401916 1067464279 /nfs/dbraw/zinc/46/42/79/1067464279.db2.gz MULLBFNGSDGRDW-UHFFFAOYSA-N 0 3 484.689 3.363 20 0 JGADHN C[C@H]1CN(c2nnc(C3CCCC3)n2CCN2CCN(C)C(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC001302890312 1067469604 /nfs/dbraw/zinc/46/96/04/1067469604.db2.gz CMNOFLQJUYBFNM-FQEVSTJZSA-N 0 3 489.709 3.407 20 0 JGADHN Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)cc1 ZINC001304410469 1067476467 /nfs/dbraw/zinc/47/64/67/1067476467.db2.gz FQGHTYYKPINYNH-JLRUASKGSA-N 0 3 489.686 3.299 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(C(C)C)CC3)n2CCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001304417879 1067490790 /nfs/dbraw/zinc/49/07/90/1067490790.db2.gz GGEUAPWYEQDFKN-ZRZAMGCNSA-N 0 3 470.662 3.195 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(C[C@@H]4CCOC4)CC3)n2CC(F)(F)F)cc1C ZINC001304420368 1067495871 /nfs/dbraw/zinc/49/58/71/1067495871.db2.gz VABJFVJHALVGOS-SFHVURJKSA-N 0 3 453.509 3.195 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(CC(C)C)CC3)n2Cc2ccc(N(C)C)nc2)cc1 ZINC001304421373 1067497199 /nfs/dbraw/zinc/49/71/99/1067497199.db2.gz ZBHXUAGCVIBFFP-UHFFFAOYSA-N 0 3 463.630 3.453 20 0 JGADHN Cc1ccc(OCCN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C(C)C)N2CCCC2)cc1 ZINC001304429564 1067506859 /nfs/dbraw/zinc/50/68/59/1067506859.db2.gz QUALIODSFLSCPI-FYYLOGMGSA-N 0 3 489.686 3.124 20 0 JGADHN FC(F)(F)CSCCn1c(Cc2cccnc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001302940759 1067515126 /nfs/dbraw/zinc/51/51/26/1067515126.db2.gz AJRKRBQWFAGDRH-UHFFFAOYSA-N 0 3 484.592 3.108 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1ccc(C(F)(F)F)cc1 ZINC001302943871 1067516710 /nfs/dbraw/zinc/51/67/10/1067516710.db2.gz KHBURCUQOVSTDR-UHFFFAOYSA-N 0 3 478.563 3.288 20 0 JGADHN FC(F)C(F)(F)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CCCC2)CC1 ZINC001302947718 1067520867 /nfs/dbraw/zinc/52/08/67/1067520867.db2.gz HTZVZDZAZVXYSD-INIZCTEOSA-N 0 3 463.520 3.154 20 0 JGADHN FC(F)Oc1cccc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2CCN2CC=CCC2)c1 ZINC001302956062 1067527933 /nfs/dbraw/zinc/52/79/33/1067527933.db2.gz ZARKFWFMNQKJHU-UHFFFAOYSA-N 0 3 486.489 3.493 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C3CCOCC3)CC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001302956828 1067528616 /nfs/dbraw/zinc/52/86/16/1067528616.db2.gz KWESHWUAXDNMJK-UHFFFAOYSA-N 0 3 488.677 3.345 20 0 JGADHN CC(C)Cc1nnc(N2CCN(CCCOCC(F)(F)F)CC2)n1C[C@@H]1CCn2ccnc2C1 ZINC001302965461 1067535894 /nfs/dbraw/zinc/53/58/94/1067535894.db2.gz DPCZGTXOYKYPJR-LJQANCHMSA-N 0 3 483.583 3.027 20 0 JGADHN CC(C)Cc1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001302971676 1067539907 /nfs/dbraw/zinc/53/99/07/1067539907.db2.gz GMWAJCAJGNRMAW-NBGIEHNGSA-N 0 3 462.683 3.061 20 0 JGADHN Cc1cccc(-c2nnc(N(C)CCOCc3ccccc3)n2CCN2CCN(C)C(C)(C)C2)n1 ZINC001304462581 1067540766 /nfs/dbraw/zinc/54/07/66/1067540766.db2.gz XADWAICBZVXJHZ-UHFFFAOYSA-N 0 3 477.657 3.328 20 0 JGADHN CC(C)Cc1nnc(N2CCO[C@H](COC(C)C)C2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001302977108 1067542794 /nfs/dbraw/zinc/54/27/94/1067542794.db2.gz RJZRMRRZZBKQBB-DQEYMECFSA-N 0 3 485.673 3.398 20 0 JGADHN CC(C)Cc1nnc(N2CCO[C@H](COC(C)C)C2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001302977111 1067543152 /nfs/dbraw/zinc/54/31/52/1067543152.db2.gz RJZRMRRZZBKQBB-RPBOFIJWSA-N 0 3 485.673 3.398 20 0 JGADHN Cc1cccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CCN2CCC[C@H]2C)n1 ZINC001304465370 1067543670 /nfs/dbraw/zinc/54/36/70/1067543670.db2.gz LTIKSHHQPHWSOX-MRXNPFEDSA-N 0 3 450.509 3.481 20 0 JGADHN Cc1cccc(-c2nnc(N3CCN(C(=O)[C@@H]4CCCN4C)CC3)n2CCCC(C)(C)C)n1 ZINC001304478624 1067557376 /nfs/dbraw/zinc/55/73/76/1067557376.db2.gz XXWHUZJXMRHWMN-NRFANRHFSA-N 0 3 453.635 3.218 20 0 JGADHN Cc1cccc(-c2nnc(N3CCN(C(=O)[C@H]4CCCN4C)CC3)n2CCCC(C)(C)C)n1 ZINC001304478625 1067557414 /nfs/dbraw/zinc/55/74/14/1067557414.db2.gz XXWHUZJXMRHWMN-OAQYLSRUSA-N 0 3 453.635 3.218 20 0 JGADHN Cc1cccc(-c2nnc(N3CCN(C(=O)C(C)C)CC3)n2C[C@H](c2ccsc2)N(C)C)n1 ZINC001304478599 1067557426 /nfs/dbraw/zinc/55/74/26/1067557426.db2.gz WVVAKXQXGWCIIP-OAQYLSRUSA-N 0 3 467.643 3.318 20 0 JGADHN Cc1cccc(-c2nnc(N3CCN(CC(C)C)CC3)n2CCCN(C)CC(F)(F)F)n1 ZINC001304478845 1067557991 /nfs/dbraw/zinc/55/79/91/1067557991.db2.gz NQUNDYTZYWTERU-UHFFFAOYSA-N 0 3 453.557 3.311 20 0 JGADHN CC(C)CC[C@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001303017706 1067571199 /nfs/dbraw/zinc/57/11/99/1067571199.db2.gz UTHZYIVEXBJTIX-LVXARBLLSA-N 0 3 470.662 3.141 20 0 JGADHN Cc1nn(C)c(C)c1Cn1c(COc2cccc(C)c2)nnc1N1CCN(CC(C)C)CC1 ZINC001304512066 1067588253 /nfs/dbraw/zinc/58/82/53/1067588253.db2.gz KSPBQXIMTSEEFA-UHFFFAOYSA-N 0 3 451.619 3.342 20 0 JGADHN Cc1cccc(OCc2nnc(N3CCN(CCC(C)(C)C)CC3)n2C[C@H]2COCCO2)c1 ZINC001304512898 1067589995 /nfs/dbraw/zinc/58/99/95/1067589995.db2.gz XBLZYXOWAWOCRY-QFIPXVFZSA-N 0 3 457.619 3.139 20 0 JGADHN CC(C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001303067931 1067602690 /nfs/dbraw/zinc/60/26/90/1067602690.db2.gz JRUQRFCKMKHLFC-KRWDZBQOSA-N 0 3 465.440 3.251 20 0 JGADHN O=C(CN1CCCC1)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCOCC(F)F)CC1 ZINC001303080113 1067614143 /nfs/dbraw/zinc/61/41/43/1067614143.db2.gz NESOVZXAWUPPDU-UHFFFAOYSA-N 0 3 496.990 3.015 20 0 JGADHN Cc1ccccc1Cc1nnc(N(C)CCOC(C)(C)C)n1CCN1CCN(C)C(C)(C)C1 ZINC001304548101 1067617209 /nfs/dbraw/zinc/61/72/09/1067617209.db2.gz MIQYWOJGGVXCEC-UHFFFAOYSA-N 0 3 456.679 3.455 20 0 JGADHN Cc1ccccc1Cc1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CCN(C)CC(F)(F)F ZINC001304559387 1067628864 /nfs/dbraw/zinc/62/88/64/1067628864.db2.gz KXBXDQOJFWIYOX-FQEVSTJZSA-N 0 3 494.606 3.361 20 0 JGADHN Cc1ccccc1CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1C[C@H](C)C[C@H](C)C1 ZINC001304567069 1067635391 /nfs/dbraw/zinc/63/53/91/1067635391.db2.gz GIYBVZGTALRINF-MZKRTTBSSA-N 0 3 473.687 3.493 20 0 JGADHN CCOC(=O)c1csc(CC2CCN(C(=O)[C@H]3CCCN(Cc4cccnc4)C3)CC2)n1 ZINC001303115492 1067652588 /nfs/dbraw/zinc/65/25/88/1067652588.db2.gz MGWAIHGIOGMSKW-FQEVSTJZSA-N 0 3 456.612 3.408 20 0 JGADHN CC1=CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(N(C)C)CCSC2)C1 ZINC001304584151 1067653192 /nfs/dbraw/zinc/65/31/92/1067653192.db2.gz JGDALRZBDJTGRX-HSZRJFAPSA-N 0 3 475.062 3.455 20 0 JGADHN CC1=CCN(c2nnc(CCc3ccccc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001304596040 1067660238 /nfs/dbraw/zinc/66/02/38/1067660238.db2.gz HHYFXWFTCKNEJL-QHCPKHFHSA-N 0 3 450.631 3.162 20 0 JGADHN Cc1cnn([C@H]2CCCN(c3nnc(CC(C)(C)C)n3CCN3CCN(C)C(C)(C)C3)C2)c1 ZINC001304600600 1067664445 /nfs/dbraw/zinc/66/44/45/1067664445.db2.gz PHAXLEHYFUQPFS-NRFANRHFSA-N 0 3 456.683 3.239 20 0 JGADHN Cc1cnc([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CCC(C)(C)C)CC2)s1 ZINC001304609402 1067676970 /nfs/dbraw/zinc/67/69/70/1067676970.db2.gz ISANDAVLZMHFOJ-SJLPKXTDSA-N 0 3 459.664 3.356 20 0 JGADHN CC(C)CN(C)c1nnc(Cn2ccc3ccccc32)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001303141262 1067680564 /nfs/dbraw/zinc/68/05/64/1067680564.db2.gz CDGGITPCDGTMTF-HSZRJFAPSA-N 0 3 465.646 3.316 20 0 JGADHN OCCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C2CCOCC2)CC1 ZINC001303151052 1067688163 /nfs/dbraw/zinc/68/81/63/1067688163.db2.gz HFKBJTFOURWODQ-UHFFFAOYSA-N 0 3 451.974 3.201 20 0 JGADHN OCCCCCn1c(-c2ccc(Br)cc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001303152416 1067688707 /nfs/dbraw/zinc/68/87/07/1067688707.db2.gz SZKJJACKANZBHR-UHFFFAOYSA-N 0 3 478.435 3.171 20 0 JGADHN CC(C)CN1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)c2cccc(O)c2)C1 ZINC001303176709 1067709890 /nfs/dbraw/zinc/70/98/90/1067709890.db2.gz FGPVSJAFRHVXLK-ONTIZHBOSA-N 0 3 489.686 3.451 20 0 JGADHN CC(C)CN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccccc2OC(F)F)CC1 ZINC001303177330 1067710252 /nfs/dbraw/zinc/71/02/52/1067710252.db2.gz BWKGRRCPUWDKSW-UHFFFAOYSA-N 0 3 476.572 3.136 20 0 JGADHN CC(C)CN1CCN(c2nnc(C(=O)NC(C)C)n2CCOc2ccccc2C(C)C)CC1 ZINC001303178685 1067712085 /nfs/dbraw/zinc/71/20/85/1067712085.db2.gz SUVISOPOZJRYFS-UHFFFAOYSA-N 0 3 456.635 3.397 20 0 JGADHN CC(C)CN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](c2cccs2)N(C)C)CC1 ZINC001303178785 1067712493 /nfs/dbraw/zinc/71/24/93/1067712493.db2.gz VWGSECZDDNZDIU-IBGZPJMESA-N 0 3 482.658 3.068 20 0 JGADHN CC(C)CN1CCC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C2CCCCC2)C1 ZINC001303179425 1067713386 /nfs/dbraw/zinc/71/33/86/1067713386.db2.gz VPHWVDSXILONDF-WOJBJXKFSA-N 0 3 451.681 3.317 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 ZINC001303182885 1067714801 /nfs/dbraw/zinc/71/48/01/1067714801.db2.gz FXVJWRNFKXEUMC-LJQANCHMSA-N 0 3 489.462 3.400 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3cccc(Br)c3)n2Cc2cnn(C)c2)CC1 ZINC001303183420 1067716194 /nfs/dbraw/zinc/71/61/94/1067716194.db2.gz CPSQOHXEQJWWOC-UHFFFAOYSA-N 0 3 458.408 3.267 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[C@@](C)(O)c2ccccc2)CC1 ZINC001303183652 1067716556 /nfs/dbraw/zinc/71/65/56/1067716556.db2.gz FSDCMTKJRRYYIM-SXOMAYOGSA-N 0 3 485.673 3.395 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2CCS(=O)(=O)CC2)CC1 ZINC001303183631 1067716578 /nfs/dbraw/zinc/71/65/78/1067716578.db2.gz LJBVOPHJYOXJGO-UHFFFAOYSA-N 0 3 466.051 3.201 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(C)(C)N2CCOCC2)CC1 ZINC001303184792 1067718464 /nfs/dbraw/zinc/71/84/64/1067718464.db2.gz PFYNFIFSSTXAPN-UHFFFAOYSA-N 0 3 492.615 3.435 20 0 JGADHN Cc1nc(Cc2nnc(N(C)C[C@H](C)c3nccs3)n2CCN2CCN(C)C(C)(C)C2)cs1 ZINC001304650932 1067718680 /nfs/dbraw/zinc/71/86/80/1067718680.db2.gz MHEUQQBXOGPFSS-KRWDZBQOSA-N 0 3 488.731 3.356 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC(=O)Nc2ccccc2)CC1 ZINC001303185210 1067719495 /nfs/dbraw/zinc/71/94/95/1067719495.db2.gz WBZVDGJUJCOYKN-AREMUKBSSA-N 0 3 484.645 3.126 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC(=O)Nc2ccccc2)CC1 ZINC001303185211 1067719714 /nfs/dbraw/zinc/71/97/14/1067719714.db2.gz WBZVDGJUJCOYKN-SANMLTNESA-N 0 3 484.645 3.126 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCNC(=O)C2CCC2)CC1 ZINC001303185739 1067721366 /nfs/dbraw/zinc/72/13/66/1067721366.db2.gz LWCKXEONJNFATA-UHFFFAOYSA-N 0 3 460.026 3.078 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccc[nH]3)n2CC2CCN(CC(F)(F)F)CC2)CC1 ZINC001303189258 1067723504 /nfs/dbraw/zinc/72/35/04/1067723504.db2.gz LOBQZPPZRAKHMA-UHFFFAOYSA-N 0 3 453.557 3.326 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccccn3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001303190010 1067724565 /nfs/dbraw/zinc/72/45/65/1067724565.db2.gz XSKWLJQWHGGGBQ-UHFFFAOYSA-N 0 3 457.623 3.375 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@H]3CCCCO3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 ZINC001303191101 1067725370 /nfs/dbraw/zinc/72/53/70/1067725370.db2.gz TXVYCTKFVCDLPK-GOSISDBHSA-N 0 3 486.608 3.458 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@H]3CCCCO3)n2CCN(C)Cc2ccc(F)cc2)[C@H](C)C1=O ZINC001303192604 1067726967 /nfs/dbraw/zinc/72/69/67/1067726967.db2.gz WRROGCXAQWQAAQ-NFBKMPQASA-N 0 3 486.636 3.484 20 0 JGADHN O=C(CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001304659428 1067727267 /nfs/dbraw/zinc/72/72/67/1067727267.db2.gz GUSPVOJMNNLHMT-MSOLQXFVSA-N 0 3 453.370 3.424 20 0 JGADHN CC(C)CN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 ZINC001303194847 1067728032 /nfs/dbraw/zinc/72/80/32/1067728032.db2.gz AIXJXEOIIYRUOZ-UHFFFAOYSA-N 0 3 489.546 3.426 20 0 JGADHN CC(C)CN1CCN(c2nnc(CCc3ccccc3)n2CCNC(=O)c2cccs2)CC1 ZINC001303196407 1067730224 /nfs/dbraw/zinc/73/02/24/1067730224.db2.gz SDBCIRFWNMAVNW-UHFFFAOYSA-N 0 3 466.655 3.333 20 0 JGADHN CC(C)CN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@@]2(O)CCOC2)CC1 ZINC001303198446 1067733357 /nfs/dbraw/zinc/73/33/57/1067733357.db2.gz ARJAZDSYWDORPK-SANMLTNESA-N 0 3 471.646 3.084 20 0 JGADHN CC(C)CN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2C[C@]2(O)CCOC2)CC1 ZINC001303198445 1067733437 /nfs/dbraw/zinc/73/34/37/1067733437.db2.gz ARJAZDSYWDORPK-AREMUKBSSA-N 0 3 471.646 3.084 20 0 JGADHN CC(C)CN1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CC(F)(F)CO2)CC1 ZINC001303198724 1067734059 /nfs/dbraw/zinc/73/40/59/1067734059.db2.gz JNIJZMUXLGAYQN-QGZVFWFLSA-N 0 3 453.509 3.198 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)NCCc2ccccc2)CC1 ZINC001303198612 1067734232 /nfs/dbraw/zinc/73/42/32/1067734232.db2.gz GWWVUYFMRIGECF-ILBGXUMGSA-N 0 3 496.700 3.334 20 0 JGADHN Cc1nc(Cc2nnc(N3CCC[C@H](CNC(=O)C(C)(C)C)C3)n2CCN2CC=CCC2)cs1 ZINC001304668343 1067736211 /nfs/dbraw/zinc/73/62/11/1067736211.db2.gz CRNCEXOQWSXMPI-HXUWFJFHSA-N 0 3 485.702 3.274 20 0 JGADHN CC(C)COC(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2ccccc2)N(C)C)CC1 ZINC001303216497 1067753444 /nfs/dbraw/zinc/75/34/44/1067753444.db2.gz SOWZUSQMSPZKFC-DEOSSOPVSA-N 0 3 491.640 3.481 20 0 JGADHN CC(C)COc1ccc(Cn2c(N3CCN(C(=O)[C@@H]4CCCN4C)CC3)nnc2C(C)(C)C)cc1 ZINC001303222433 1067758930 /nfs/dbraw/zinc/75/89/30/1067758930.db2.gz WGQBHXWNLHPJLC-QHCPKHFHSA-N 0 3 482.673 3.402 20 0 JGADHN CN(C)CCn1c2cc(C(=O)NC[C@H]3CCCCCN3C(=O)OC(C)(C)C)ccc2[nH]c1=O ZINC001304706787 1067778952 /nfs/dbraw/zinc/77/89/52/1067778952.db2.gz VYACAJGBYOGZIF-GOSISDBHSA-N 0 3 459.591 3.213 20 0 JGADHN CC(C)N(C)C(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCN(C)Cc2ccc(F)cc2)CC1 ZINC001303254790 1067780066 /nfs/dbraw/zinc/78/00/66/1067780066.db2.gz KNHFXRBFBKDIDB-HSZRJFAPSA-N 0 3 486.636 3.484 20 0 JGADHN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(N(C)C)CCCC1 ZINC001304720682 1067791708 /nfs/dbraw/zinc/79/17/08/1067791708.db2.gz TVVFJJZECWTCMX-UHFFFAOYSA-N 0 3 499.685 3.210 20 0 JGADHN Cc1nn(C)c(C)c1CN(C)c1nnc(COc2ccc(F)cc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001304722148 1067793320 /nfs/dbraw/zinc/79/33/20/1067793320.db2.gz YHDXAKYLVZJNME-UHFFFAOYSA-N 0 3 498.651 3.009 20 0 JGADHN CC(C)N(C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC001303268161 1067795968 /nfs/dbraw/zinc/79/59/68/1067795968.db2.gz BUXNRDLDNGQHOS-HXUWFJFHSA-N 0 3 470.593 3.093 20 0 JGADHN CC(C)N(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](c2ccco2)C1 ZINC001303270404 1067799204 /nfs/dbraw/zinc/79/92/04/1067799204.db2.gz KDCOQRMJTDKLRU-IBGZPJMESA-N 0 3 457.600 3.276 20 0 JGADHN CC(C)N(Cc1ccco1)c1nnc([C@@H]2CCCCO2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001303287065 1067813242 /nfs/dbraw/zinc/81/32/42/1067813242.db2.gz GNBXSTSYKDMYRU-VXKWHMMOSA-N 0 3 472.634 3.470 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CCCN2CCC[C@H]2C(=O)N(C)C)n1 ZINC001304739701 1067814233 /nfs/dbraw/zinc/81/42/33/1067814233.db2.gz JSNNZINODKMFTR-PTUXOGIPSA-N 0 3 484.693 3.097 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N(C)C[C@H]3CCCO3)n2C[C@@H](c2cccc(F)c2)N(C)C)n1 ZINC001304744889 1067823731 /nfs/dbraw/zinc/82/37/31/1067823731.db2.gz CAMXKCYZGCNWQL-YADHBBJMSA-N 0 3 455.582 3.197 20 0 JGADHN CC(C)N1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC(F)(F)F)CC2CC2)C1 ZINC001303303854 1067829834 /nfs/dbraw/zinc/82/98/34/1067829834.db2.gz JUMUAGVASGSELF-OALUTQOASA-N 0 3 491.624 3.469 20 0 JGADHN CC(C)N1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCN2CCOC[C@@H]2C)CC1 ZINC001303310905 1067839477 /nfs/dbraw/zinc/83/94/77/1067839477.db2.gz MISMJVMJSGMNMC-KRWDZBQOSA-N 0 3 495.441 3.098 20 0 JGADHN CC(C)N1CCN(c2nnc(-c3cccn3C)n2C[C@H](c2c(F)cccc2F)N(C)C)CC1 ZINC001303311820 1067841172 /nfs/dbraw/zinc/84/11/72/1067841172.db2.gz NOCJETINFRWVPJ-OAQYLSRUSA-N 0 3 457.573 3.395 20 0 JGADHN CC(C)N1CCN([C@@H]2CCN(c3nnc(CC(C)(C)C)n3C[C@@](C)(O)c3ccsc3)C2)CC1 ZINC001303317767 1067847686 /nfs/dbraw/zinc/84/76/86/1067847686.db2.gz CRCCYECCGBKRBJ-PXDATVDWSA-N 0 3 474.719 3.441 20 0 JGADHN CC(C)N1CCN([C@@H]2CCN(c3nnc(Cc4ccccn4)n3CCSC(F)(F)F)C2)CC1 ZINC001303317939 1067848041 /nfs/dbraw/zinc/84/80/41/1067848041.db2.gz FYZLHTDGVDTXRO-LJQANCHMSA-N 0 3 483.608 3.122 20 0 JGADHN CC(C)N1CCN([C@H]2CCN(c3nnc(CC4CC4)n3C[C@H](C)N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001303318221 1067849215 /nfs/dbraw/zinc/84/92/15/1067849215.db2.gz LJJUEOIJWVSHTI-UNMCSNQZSA-N 0 3 489.709 3.091 20 0 JGADHN CC(C)N1CCN([C@@H]2CCN(c3nnc([C@@H]4CCCCO4)n3CCSC(F)(F)F)C2)CC1 ZINC001303318593 1067850283 /nfs/dbraw/zinc/85/02/83/1067850283.db2.gz VQIFNNVWZSKWRB-MSOLQXFVSA-N 0 3 476.613 3.377 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N3CCOC(C)(C)[C@@H]3C)n2C[C@@H](c2ccccc2)N(C)C)n1 ZINC001304763036 1067850885 /nfs/dbraw/zinc/85/08/85/1067850885.db2.gz NPGVQTJFRYBEJN-UNMCSNQZSA-N 0 3 451.619 3.446 20 0 JGADHN CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2ccco2)n1Cc1ccccc1CN1CCC(O)CC1 ZINC001303325097 1067854045 /nfs/dbraw/zinc/85/40/45/1067854045.db2.gz QDNQPNCGFATMCK-IBGZPJMESA-N 0 3 480.613 3.212 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCC(c3ccccc3CO)CC2)n1C[C@H]1N(C)CCCC1(C)C ZINC001303365503 1067892603 /nfs/dbraw/zinc/89/26/03/1067892603.db2.gz PUSVSRUXUNGAFD-HSZRJFAPSA-N 0 3 482.673 3.413 20 0 JGADHN Cc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CCc1ccc(Br)cc1 ZINC001304826793 1067895535 /nfs/dbraw/zinc/89/55/35/1067895535.db2.gz ZFTTUEXFGDQEBX-OAQYLSRUSA-N 0 3 461.452 3.196 20 0 JGADHN Cc1noc([C@@H](C)N2CCN(c3nnc(C(C)C)n3C[C@@H](c3cccc(F)c3)N(C)C)CC2)n1 ZINC001304872301 1067914421 /nfs/dbraw/zinc/91/44/21/1067914421.db2.gz JZIGVIMYMONJHR-UTKZUKDTSA-N 0 3 470.597 3.418 20 0 JGADHN Cc1noc(C)c1CN(C)c1nnc(C(=O)NC(C)C)n1C[C@H](c1ccccc1)N1CCCC1 ZINC001304880031 1067924941 /nfs/dbraw/zinc/92/49/41/1067924941.db2.gz BVFRTGPHQVQRAN-JOCHJYFZSA-N 0 3 465.602 3.495 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1CC1(c2ccc(F)cc2)CCOCC1 ZINC001303402204 1067930147 /nfs/dbraw/zinc/93/01/47/1067930147.db2.gz IADBYJRKOHFGHA-UHFFFAOYSA-N 0 3 486.636 3.224 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3F)CC2)n1C[C@H]1N(C)CCCC1(C)C ZINC001303404271 1067932925 /nfs/dbraw/zinc/93/29/25/1067932925.db2.gz RJNUEOIMXPLHSG-OAQYLSRUSA-N 0 3 471.625 3.002 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1C[C@H](c1ccco1)N(C)C ZINC001303408221 1067934906 /nfs/dbraw/zinc/93/49/06/1067934906.db2.gz PUPKKMGPKCSMGN-IFMALSPDSA-N 0 3 479.629 3.023 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@]1(C)CCO[C@@H]1C1CC1 ZINC001303410537 1067936978 /nfs/dbraw/zinc/93/69/78/1067936978.db2.gz UMFJUQFRZYLNLJ-NLFFAJNJSA-N 0 3 460.667 3.180 20 0 JGADHN Cc1cc(CN2CCN(c3nnc(C(C)C)n3C[C@@H](c3cccc(F)c3)N(C)C)CC2)on1 ZINC001304899287 1067943195 /nfs/dbraw/zinc/94/31/95/1067943195.db2.gz BWZVKNDBEBVNLC-QFIPXVFZSA-N 0 3 455.582 3.462 20 0 JGADHN C[C@@H]1C[C@H](C)CN(C(C)(C)Cn2c(C3CCCC3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001304911111 1067954509 /nfs/dbraw/zinc/95/45/09/1067954509.db2.gz KNDLHLXBXFSVOV-NSHGMRRFSA-N 0 3 451.681 3.316 20 0 JGADHN C[C@@H]1C[C@@H](C)CN(C(C)(C)Cn2c(C3CCCC3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001304911116 1067954554 /nfs/dbraw/zinc/95/45/54/1067954554.db2.gz KNDLHLXBXFSVOV-QWFCFKBJSA-N 0 3 451.681 3.316 20 0 JGADHN CC(C)NC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C2CCCCC2)CC1 ZINC001303454908 1067975153 /nfs/dbraw/zinc/97/51/53/1067975153.db2.gz UJJYQVJOUWZZED-UHFFFAOYSA-N 0 3 475.037 3.490 20 0 JGADHN CC(C)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001304928398 1067976152 /nfs/dbraw/zinc/97/61/52/1067976152.db2.gz NOKNOPWBTKHNHA-SJBKTWHCSA-N 0 3 465.708 3.421 20 0 JGADHN CC(C)[C@H]1CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1C[C@H](C)C[C@H](C)C1 ZINC001304928479 1067976212 /nfs/dbraw/zinc/97/62/12/1067976212.db2.gz OARMKMBQERHZIH-JSXRDJHFSA-N 0 3 451.681 3.173 20 0 JGADHN C[C@@H]1C[C@H](CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CC(F)(F)F)CN1Cc1ccccc1 ZINC001304938997 1067988251 /nfs/dbraw/zinc/98/82/51/1067988251.db2.gz PMBIZSPXQJBPLQ-YZGWKJHDSA-N 0 3 499.603 3.479 20 0 JGADHN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001304957270 1068003017 /nfs/dbraw/zinc/00/30/17/1068003017.db2.gz DIXVSTISKULZCQ-AABGKKOBSA-N 0 3 488.702 3.350 20 0 JGADHN CC1CCC(N(C)c2nnc([C@H]3CCCCO3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001304973966 1068013878 /nfs/dbraw/zinc/01/38/78/1068013878.db2.gz DDKJRZYLASVINV-QZNJRLLKSA-N 0 3 460.667 3.477 20 0 JGADHN C[C@@H]1CCC[C@@](Cn2c(CC3CC3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)(N(C)C)C1 ZINC001304983480 1068025462 /nfs/dbraw/zinc/02/54/62/1068025462.db2.gz DYAKSHXKQYPXOT-QMHWCDLVSA-N 0 3 451.681 3.145 20 0 JGADHN CC(C)O[C@@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@H]2CSCCS2)CCOC1 ZINC001303501450 1068029665 /nfs/dbraw/zinc/02/96/65/1068029665.db2.gz GQJGMJBXKKJUCH-GCJKJVERSA-N 0 3 469.721 3.088 20 0 JGADHN CC(C)O[C@]1(c2nnc(N3CCC[C@H](C(C)C)C3)n2CCN2CCN(C)C(C)(C)C2)CCOC1 ZINC001303502264 1068031748 /nfs/dbraw/zinc/03/17/48/1068031748.db2.gz MDZVWGTYBJVEMF-BKMJKUGQSA-N 0 3 476.710 3.217 20 0 JGADHN CC(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCC[C@@H](C)C1)N1CCCC1 ZINC001304991237 1068033379 /nfs/dbraw/zinc/03/33/79/1068033379.db2.gz RIYXCLVIVHCVAX-CGXNFDGLSA-N 0 3 451.681 3.316 20 0 JGADHN CC(C)O[C@]1(c2nnc(N3CCN(CCC(C)(C)C)CC3)n2CC2=CCCOC2)CCOC1 ZINC001303504222 1068036797 /nfs/dbraw/zinc/03/67/97/1068036797.db2.gz GCJNURGROLJAAM-RUZDIDTESA-N 0 3 461.651 3.224 20 0 JGADHN CC(C)O[C@]1(c2nnc(N3CCN(CCC(C)(C)C)CC3)n2C[C@H]2CCC[C@H](O)C2)CCOC1 ZINC001303507775 1068042186 /nfs/dbraw/zinc/04/21/86/1068042186.db2.gz YTEZFDHHYFAYDF-AOJNWGRGSA-N 0 3 477.694 3.428 20 0 JGADHN CC(C)Oc1cccc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCC2)c1 ZINC001303517464 1068050853 /nfs/dbraw/zinc/05/08/53/1068050853.db2.gz VGZFZQDRVAJPMJ-OAQYLSRUSA-N 0 3 489.686 3.478 20 0 JGADHN C[C@H]1CCCCN1CCCn1c(-c2ccccc2Cl)nnc1N(C)CCS(C)(=O)=O ZINC001305014089 1068054997 /nfs/dbraw/zinc/05/49/97/1068054997.db2.gz DKADIQVUXOAWBU-KRWDZBQOSA-N 0 3 454.040 3.344 20 0 JGADHN C[C@@H]1CCCN(C(C)(C)Cn2c(Cc3ccsc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001305019897 1068066974 /nfs/dbraw/zinc/06/69/74/1068066974.db2.gz OBDGFIHWHSYGHW-MJGOQNOKSA-N 0 3 465.689 3.064 20 0 JGADHN CC(C)OCCCCn1c(Cc2cccnc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001303543581 1068071980 /nfs/dbraw/zinc/07/19/80/1068071980.db2.gz SGQBNQOAZISFAP-OAQYLSRUSA-N 0 3 456.635 3.159 20 0 JGADHN C[C@@H]1CCCN(C(C)(C)Cn2c(-c3ccccc3F)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001305022834 1068074188 /nfs/dbraw/zinc/07/41/88/1068074188.db2.gz OEFIAVRKHKTTGC-MSOLQXFVSA-N 0 3 463.623 3.218 20 0 JGADHN C[C@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(N(C)C)CCOCC2)CC1 ZINC001305031332 1068088993 /nfs/dbraw/zinc/08/89/93/1068088993.db2.gz OESWSMPYJMPKJC-IBGZPJMESA-N 0 3 475.659 3.086 20 0 JGADHN CC(C)NC(=O)c1nnc(N2C[C@@H](C)O[C@H](c3ccccc3)C2)n1CCN1CCC[C@@H](C)C1 ZINC001305042021 1068096841 /nfs/dbraw/zinc/09/68/41/1068096841.db2.gz HEEKFOFFRRNASK-SJBKTWHCSA-N 0 3 454.619 3.115 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CC[C@@H](COc3ccccc3)C2)n1CCN1CCC[C@H](C)C1 ZINC001305042855 1068099140 /nfs/dbraw/zinc/09/91/40/1068099140.db2.gz LQWNSVIMRPKYAX-LEWJYISDSA-N 0 3 454.619 3.054 20 0 JGADHN CC(C)SCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001303575100 1068100179 /nfs/dbraw/zinc/10/01/79/1068100179.db2.gz RLAIVHGGGDQCLV-QGZVFWFLSA-N 0 3 497.507 3.346 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCC(OCc3ccccc3)CC2)n1CCN1CCC[C@H](C)C1 ZINC001305044199 1068100778 /nfs/dbraw/zinc/10/07/78/1068100778.db2.gz XLJIMMCSZVGGOJ-NRFANRHFSA-N 0 3 468.646 3.334 20 0 JGADHN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(C(=O)N2CCCC2)n1CCN1CCC[C@@H](C)C1 ZINC001305044329 1068101492 /nfs/dbraw/zinc/10/14/92/1068101492.db2.gz ZSFDMZWGFRZFRF-WNGUMJTMSA-N 0 3 486.686 3.181 20 0 JGADHN C[C@@H](c1ccc(F)cc1)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCC1 ZINC001303590759 1068111083 /nfs/dbraw/zinc/11/10/83/1068111083.db2.gz DTZXEBDMNPGDHG-PKOBYXMFSA-N 0 3 463.623 3.391 20 0 JGADHN C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CCCc1ccccn1)N1CCC(C)CC1 ZINC001305062261 1068129441 /nfs/dbraw/zinc/12/94/41/1068129441.db2.gz CEMYQKCOVRSGIQ-OAQYLSRUSA-N 0 3 453.635 3.099 20 0 JGADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)CC2)n1C[C@@H](c1cccs1)N1CCCC1 ZINC001305070988 1068144519 /nfs/dbraw/zinc/14/45/19/1068144519.db2.gz QYJZRAOIBSYHMK-MSOLQXFVSA-N 0 3 466.677 3.023 20 0 JGADHN CN(Cc1nnc2n1C[C@H](C(F)(F)F)CC2)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001303614535 1068148734 /nfs/dbraw/zinc/14/87/34/1068148734.db2.gz PSZHARBSXIZXAH-IAGOWNOFSA-N 0 3 453.484 3.413 20 0 JGADHN C[C@H](c1ccco1)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C1CCCCC1)N(C)C ZINC001303622131 1068153860 /nfs/dbraw/zinc/15/38/60/1068153860.db2.gz QKPUQBDAXQETNU-HOJAQTOUSA-N 0 3 463.648 3.481 20 0 JGADHN CC1CCN(CCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)Cc2ccon2)CC1 ZINC001305104197 1068172010 /nfs/dbraw/zinc/17/20/10/1068172010.db2.gz BIPZBANIWQJPQU-UHFFFAOYSA-N 0 3 472.615 3.095 20 0 JGADHN CC1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCCc2ccccc2)CC1 ZINC001305104761 1068172524 /nfs/dbraw/zinc/17/25/24/1068172524.db2.gz XEBUCZDPEHNFBR-QHCPKHFHSA-N 0 3 473.687 3.371 20 0 JGADHN CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)n1CCN1CCC(C)CC1 ZINC001305106997 1068175816 /nfs/dbraw/zinc/17/58/16/1068175816.db2.gz MAGGGHTYHYZHCM-AONNBLCTSA-N 0 3 474.675 3.083 20 0 JGADHN C[C@H](CC(N)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](c1cccs1)N(C)C ZINC001303648100 1068176183 /nfs/dbraw/zinc/17/61/83/1068176183.db2.gz GUWNMFPTDVEMKK-XLIONFOSSA-N 0 3 478.626 3.195 20 0 JGADHN C[C@@H]1CCN(c2nnc(COc3ccccc3F)n2CCCN2CCC[C@@H]2C(=O)N(C)C)[C@@H]1C ZINC001305107577 1068176879 /nfs/dbraw/zinc/17/68/79/1068176879.db2.gz JRAYLTMAITVVKZ-SFHLNBCPSA-N 0 3 472.609 3.174 20 0 JGADHN C[C@H](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)(C)C)CC1)c1ccccc1 ZINC001303662997 1068193970 /nfs/dbraw/zinc/19/39/70/1068193970.db2.gz JUAYGMJUPMUGLM-MOPGFXCFSA-N 0 3 462.664 3.003 20 0 JGADHN C[C@H](CCn1c(-c2cccc(Br)c2)nnc1N(C)CCS(C)(=O)=O)N1CCCCC1 ZINC001303662966 1068194022 /nfs/dbraw/zinc/19/40/22/1068194022.db2.gz JEHVYLFQBYBXMH-QGZVFWFLSA-N 0 3 498.491 3.453 20 0 JGADHN C[C@@H]1CN(C(C)(C)Cn2c(-c3cccnc3)nnc2N(C)CC(C)(C)CN2CCOCC2)C[C@H](C)O1 ZINC001305115652 1068194358 /nfs/dbraw/zinc/19/43/58/1068194358.db2.gz ZGZHARQYGFPUHS-SZPZYZBQSA-N 0 3 499.704 3.023 20 0 JGADHN CC(C)N1CCN([C@@H]2CCN(c3nnc(C4CC4)n3C[C@H](C)CN(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001303671466 1068204864 /nfs/dbraw/zinc/20/48/64/1068204864.db2.gz BZEBKJFGRQVYMU-IFMALSPDSA-N 0 3 489.709 3.263 20 0 JGADHN CC(C)N1CCN([C@H]2CCN(c3nnc(C4CC4)n3C[C@@H](C)CN(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001303671469 1068205318 /nfs/dbraw/zinc/20/53/18/1068205318.db2.gz BZEBKJFGRQVYMU-UNMCSNQZSA-N 0 3 489.709 3.263 20 0 JGADHN C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2N(C)CCCC2(C)C)C[C@@H](C(F)(F)F)O1 ZINC001305123539 1068208339 /nfs/dbraw/zinc/20/83/39/1068208339.db2.gz GVPVOSYFNZVHSS-ZACQAIPSSA-N 0 3 495.550 3.202 20 0 JGADHN C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1)N(C)C ZINC001303685867 1068224011 /nfs/dbraw/zinc/22/40/11/1068224011.db2.gz FALAAUYZFLEOIT-VQIMIIECSA-N 0 3 469.977 3.107 20 0 JGADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCCC3)CC2)n1C[C@H](C)Sc1ccccc1 ZINC001303688887 1068228379 /nfs/dbraw/zinc/22/83/79/1068228379.db2.gz PQKGJGDAHNDGMS-RBUKOAKNSA-N 0 3 492.715 3.134 20 0 JGADHN CC(C)N1CCC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCS[C@@H](C)C2)C1 ZINC001305141929 1068238029 /nfs/dbraw/zinc/23/80/29/1068238029.db2.gz CAXOETXLMLMFHJ-RBUKOAKNSA-N 0 3 477.700 3.411 20 0 JGADHN C[C@H](Cn1c(-c2ccccc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1)N(C)C(=O)OC(C)(C)C ZINC001303698688 1068241454 /nfs/dbraw/zinc/24/14/54/1068241454.db2.gz FDAKIHSMZNNVFC-RTWAWAEBSA-N 0 3 484.645 3.359 20 0 JGADHN C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2cccs2)N(C)C)CCN1CC(F)(F)F ZINC001305165159 1068275409 /nfs/dbraw/zinc/27/54/09/1068275409.db2.gz YOQZFSGQRBHBLF-DOTOQJQBSA-N 0 3 482.580 3.116 20 0 JGADHN C[C@H]1CN(c2nnc(CCCc3ccccc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCS1 ZINC001305204274 1068328916 /nfs/dbraw/zinc/32/89/16/1068328916.db2.gz OXPUZIXIZINZSN-JTHBVZDNSA-N 0 3 484.714 3.338 20 0 JGADHN C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCN(C)Cc2ccccc2)C[C@@H](C)O1 ZINC001305207451 1068335186 /nfs/dbraw/zinc/33/51/86/1068335186.db2.gz GCAHJAWVKJHMHT-RTBURBONSA-N 0 3 468.627 3.015 20 0 JGADHN C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(Cc2cccnc2)nnc1N1CCN(C2CCCC2)CC1 ZINC001303767918 1068340536 /nfs/dbraw/zinc/34/05/36/1068340536.db2.gz FVEHDZSHXWPGMB-FQEVSTJZSA-N 0 3 483.661 3.489 20 0 JGADHN C[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](c2cccc(F)c2)N(C)C)CC(=O)N1C ZINC001305218041 1068354431 /nfs/dbraw/zinc/35/44/31/1068354431.db2.gz VHWSPJNGYUUYCT-XMXZMMKCSA-N 0 3 486.636 3.306 20 0 JGADHN C[C@H]1SCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCN(C)C(C)(C)C2)[C@H]1C ZINC001305254928 1068417427 /nfs/dbraw/zinc/41/74/27/1068417427.db2.gz MVFMVKNGUDLQAH-JKSUJKDBSA-N 0 3 496.523 3.392 20 0 JGADHN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)OC2CCCC2)n1C[C@H](c1cccs1)N1CCCC1 ZINC001303820212 1068436091 /nfs/dbraw/zinc/43/60/91/1068436091.db2.gz LTOHAWOETJVSHO-SJLPKXTDSA-N 0 3 482.676 3.097 20 0 JGADHN CC(C)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccccc2)N(C)C)CC1 ZINC001303828313 1068448954 /nfs/dbraw/zinc/44/89/54/1068448954.db2.gz MXTYFPXMMWEFQX-RXVVDRJESA-N 0 3 462.664 3.064 20 0 JGADHN CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@@H](c2ccsc2)N(C)C)C1 ZINC001305266863 1068451345 /nfs/dbraw/zinc/45/13/45/1068451345.db2.gz PKTVSSVHFMKQLZ-QUCCMNQESA-N 0 3 455.632 3.143 20 0 JGADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C3(CCC3)C2)n1C[C@H](c1cccs1)N(C)C ZINC001303832768 1068459986 /nfs/dbraw/zinc/45/99/86/1068459986.db2.gz ZXZCHDGNINMHRX-FGTMMUONSA-N 0 3 480.704 3.269 20 0 JGADHN CC[C@@](C)(O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C2CCCC2)CC1 ZINC001305290655 1068493673 /nfs/dbraw/zinc/49/36/73/1068493673.db2.gz ZKXHHYIFMPSAOU-RUZDIDTESA-N 0 3 454.619 3.373 20 0 JGADHN CC[C@](C)(O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001305293704 1068498236 /nfs/dbraw/zinc/49/82/36/1068498236.db2.gz IQULBFURVBUJSZ-UZINWLIJSA-N 0 3 488.652 3.323 20 0 JGADHN CC[C@](C)(O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001305293782 1068498359 /nfs/dbraw/zinc/49/83/59/1068498359.db2.gz LFRZZESGKSWSPI-QHCPKHFHSA-N 0 3 495.455 3.157 20 0 JGADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@H]1CCCC1(C)C ZINC001303865957 1068502996 /nfs/dbraw/zinc/50/29/96/1068502996.db2.gz WTXYDHWBPFGSFZ-RBUKOAKNSA-N 0 3 468.712 3.273 20 0 JGADHN CC[C@H](C)[C@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001305316868 1068532030 /nfs/dbraw/zinc/53/20/30/1068532030.db2.gz XXBUYRFWGGLFTK-UQBPGWFLSA-N 0 3 471.650 3.281 20 0 JGADHN C[C@@H](CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)N1CCCCC1 ZINC001303899808 1068542673 /nfs/dbraw/zinc/54/26/73/1068542673.db2.gz QJGSRAUUWZRIJV-IPJJNNNSSA-N 0 3 493.649 3.445 20 0 JGADHN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC(F)(F)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001303901992 1068545495 /nfs/dbraw/zinc/54/54/95/1068545495.db2.gz WBNLDJKMWQWVGP-KRWDZBQOSA-N 0 3 466.552 3.429 20 0 JGADHN CC[C@@H](C)[C@@](C)(O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(C)C)CC1 ZINC001305329272 1068553795 /nfs/dbraw/zinc/55/37/95/1068553795.db2.gz OJXWOFJHIXPDCU-RLWLMLJZSA-N 0 3 484.693 3.027 20 0 JGADHN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCNC(=O)C2)n1C[C@@H](c1cccs1)N(C)C ZINC001303914525 1068565015 /nfs/dbraw/zinc/56/50/15/1068565015.db2.gz ZXRDVIHBXMBQHZ-QAPCUYQASA-N 0 3 475.018 3.372 20 0 JGADHN CC[C@@H](C)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CCCC2)CC1)OC ZINC001305348300 1068589793 /nfs/dbraw/zinc/58/97/93/1068589793.db2.gz LZBQPFKCLIHJRH-XXBNENTESA-N 0 3 489.686 3.474 20 0 JGADHN CC[C@@H](C)[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CCOCC2)CC1)OC ZINC001305356851 1068605965 /nfs/dbraw/zinc/60/59/65/1068605965.db2.gz BEJYNBIDRZUANM-XXBNENTESA-N 0 3 475.609 3.358 20 0 JGADHN CC[C@@H](C)[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CCOCC2)CC1)OC ZINC001305356845 1068605991 /nfs/dbraw/zinc/60/59/91/1068605991.db2.gz BEJYNBIDRZUANM-AUSIDOKSSA-N 0 3 475.609 3.358 20 0 JGADHN CC[C@@H](C)[C@H](Cn1c(CCc2ccccc2)nnc1N1CCN(C2CCOCC2)CC1)OC ZINC001305358981 1068610711 /nfs/dbraw/zinc/61/07/11/1068610711.db2.gz MELXHXCORZVOIF-QPPBQGQZSA-N 0 3 455.647 3.425 20 0 JGADHN CC[C@H](C)c1nnc(N(C)C[C@H]2COc3ccccc3O2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001305390981 1068636110 /nfs/dbraw/zinc/63/61/10/1068636110.db2.gz GMRVWSKIGMNAFV-HBMCJLEFSA-N 0 3 456.635 3.094 20 0 JGADHN CC[C@H](C)c1nnc(N(CC)[C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CCc2ccccc2)C1 ZINC001305401944 1068643466 /nfs/dbraw/zinc/64/34/66/1068643466.db2.gz SSGQDCVWNJFYMD-ACIOBRDBSA-N 0 3 473.687 3.370 20 0 JGADHN CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1Cc1cc(F)ccc1OC ZINC001305409230 1068648038 /nfs/dbraw/zinc/64/80/38/1068648038.db2.gz BFFFCPOHJIJZIL-YCRNBWNJSA-N 0 3 486.636 3.367 20 0 JGADHN CC[C@H](C)c1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1Cc1cc(F)ccc1OC ZINC001305409231 1068648136 /nfs/dbraw/zinc/64/81/36/1068648136.db2.gz BFFFCPOHJIJZIL-YDHSSHFGSA-N 0 3 486.636 3.367 20 0 JGADHN CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1Cc1ccc(OC)cc1OC ZINC001305411767 1068650704 /nfs/dbraw/zinc/65/07/04/1068650704.db2.gz MBHGXRGCXZIZQR-DCLXLUIPSA-N 0 3 498.672 3.236 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305429149 1068667744 /nfs/dbraw/zinc/66/77/44/1068667744.db2.gz GISWQUMYRICZTI-VGOFRKELSA-N 0 3 474.616 3.347 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305429147 1068667974 /nfs/dbraw/zinc/66/79/74/1068667974.db2.gz GISWQUMYRICZTI-JTSKRJEESA-N 0 3 474.616 3.347 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC(c3cnn(CC)c3)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305434288 1068671205 /nfs/dbraw/zinc/67/12/05/1068671205.db2.gz OLQKJTNIIONHNA-FQEVSTJZSA-N 0 3 456.683 3.418 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC(NS(=O)(=O)CC)CC2)n1C[C@H](C)N1CCc2ccccc2C1 ZINC001305453234 1068690266 /nfs/dbraw/zinc/69/02/66/1068690266.db2.gz FINHXRIRFLWDNI-PMACEKPBSA-N 0 3 488.702 3.147 20 0 JGADHN CC[C@H](C)c1nnc(N2CC[C@H](N3CCN(CC)CC3)C2)n1Cc1ccc(NC(C)=O)cc1 ZINC001305454869 1068693252 /nfs/dbraw/zinc/69/32/52/1068693252.db2.gz APIZZXCTVOMJNX-CVDCTZTESA-N 0 3 453.635 3.015 20 0 JGADHN CC[C@@H](C)c1nnc(N2CC[C@@H](N3CCN(CC)CC3)C2)n1Cc1ccc(NC(C)=O)cc1 ZINC001305454868 1068693277 /nfs/dbraw/zinc/69/32/77/1068693277.db2.gz APIZZXCTVOMJNX-AUSIDOKSSA-N 0 3 453.635 3.015 20 0 JGADHN CC[C@H](C)c1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1C[C@@](C)(O)c1ccc(F)cc1 ZINC001305458909 1068701107 /nfs/dbraw/zinc/70/11/07/1068701107.db2.gz PTFHCCWXPLGXNX-VAPDBKPJSA-N 0 3 472.653 3.443 20 0 JGADHN CC[C@H](C)c1nnc(N2CC[C@@H](N3CCN(CC)CC3)C2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001305460983 1068704016 /nfs/dbraw/zinc/70/40/16/1068704016.db2.gz YRJSOFBGJAFBBL-LEEZEASISA-N 0 3 494.606 3.458 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1C[C@@H]1CCN(c2ccccc2F)C1 ZINC001305511505 1068751878 /nfs/dbraw/zinc/75/18/78/1068751878.db2.gz BQLFBSLNSHFENZ-FCHUYYIVSA-N 0 3 499.679 3.448 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)n1CC[NH+]1CCCCCC1 ZINC001305511246 1068752463 /nfs/dbraw/zinc/75/24/63/1068752463.db2.gz QGNMKNHOLLQUGF-FQEVSTJZSA-N 0 3 454.619 3.336 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCc1ccccc1OC(F)F ZINC001305512705 1068756276 /nfs/dbraw/zinc/75/62/76/1068756276.db2.gz DMBCOBQRGUJWGS-LJQANCHMSA-N 0 3 490.599 3.380 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCc1ccc(Cl)c(OC)c1 ZINC001305513186 1068757156 /nfs/dbraw/zinc/75/71/56/1068757156.db2.gz IZYCOWJLFFOFBI-GHTZIAJQSA-N 0 3 489.064 3.439 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@H](C)Oc1cccc(OC)c1 ZINC001305513803 1068758342 /nfs/dbraw/zinc/75/83/42/1068758342.db2.gz JDIHDQBCZSVSBO-RTWAWAEBSA-N 0 3 484.645 3.012 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@H](C)Oc1cccc(OC)c1 ZINC001305513798 1068758397 /nfs/dbraw/zinc/75/83/97/1068758397.db2.gz JDIHDQBCZSVSBO-LEWJYISDSA-N 0 3 484.645 3.012 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 ZINC001305514463 1068759938 /nfs/dbraw/zinc/75/99/38/1068759938.db2.gz PBBACTZSECFHHM-UXHICEINSA-N 0 3 498.672 3.162 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)OCc3ccccc3)CC2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001305517429 1068766239 /nfs/dbraw/zinc/76/62/39/1068766239.db2.gz FYBWONADGQPXNO-XZOQPEGZSA-N 0 3 497.688 3.276 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(c3ccc(F)c(OC)c3)CC2)n1CCCN1CCN(CC)CC1 ZINC001305523705 1068776572 /nfs/dbraw/zinc/77/65/72/1068776572.db2.gz BCFJBNDWKPETQF-OAQYLSRUSA-N 0 3 487.668 3.294 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C3CCOCC3)CC2)n1CCN(CC)C(=O)OC(C)(C)C ZINC001305529836 1068784888 /nfs/dbraw/zinc/78/48/88/1068784888.db2.gz HGGHVZZZKSAAPH-LJQANCHMSA-N 0 3 464.655 3.350 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C3CCOCC3)CC2)n1CCCn1cc(Br)cn1 ZINC001305531725 1068788487 /nfs/dbraw/zinc/78/84/87/1068788487.db2.gz XGOZHMNKFFQKQR-KRWDZBQOSA-N 0 3 480.455 3.142 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1CCN(C)Cc1ccccc1 ZINC001305537244 1068800877 /nfs/dbraw/zinc/80/08/77/1068800877.db2.gz QLIAGNWJLAWGTH-XMMPIXPASA-N 0 3 495.716 3.448 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(CC3CC3)CC2)n1CCCn1cc(Br)cn1 ZINC001305543989 1068818979 /nfs/dbraw/zinc/81/89/79/1068818979.db2.gz YPVQSEXEKFJMNB-MRXNPFEDSA-N 0 3 450.429 3.373 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1C[C@H](c1cccc(OC)c1)N(C)C ZINC001305551894 1068831140 /nfs/dbraw/zinc/83/11/40/1068831140.db2.gz MSSRWKBFWXVCPW-IQOKHDRSSA-N 0 3 456.591 3.134 20 0 JGADHN CC[C@@H](C)N(C)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCS(=O)(=O)CC1 ZINC001305604136 1068869342 /nfs/dbraw/zinc/86/93/42/1068869342.db2.gz CFHNCXZTRCKBCB-DLBZAZTESA-N 0 3 465.689 3.097 20 0 JGADHN CC[C@@H](C)N(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC2(C1)CCOCC2 ZINC001305604380 1068870051 /nfs/dbraw/zinc/87/00/51/1068870051.db2.gz BJZRHIFPNDONEG-LJQANCHMSA-N 0 3 475.659 3.086 20 0 JGADHN CC[C@H](C)N(C)CCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)c2ccccc2)CC1 ZINC001305606258 1068873743 /nfs/dbraw/zinc/87/37/43/1068873743.db2.gz SKXOXBGTWCUJAL-IBGZPJMESA-N 0 3 454.619 3.246 20 0 JGADHN CC[C@H](C)N(C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001305610603 1068884814 /nfs/dbraw/zinc/88/48/14/1068884814.db2.gz WPKFBYWTVSHRQP-INIZCTEOSA-N 0 3 454.040 3.342 20 0 JGADHN CC[C@H](C)N(C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001305619245 1068902961 /nfs/dbraw/zinc/90/29/61/1068902961.db2.gz FWTLBJSYXKBXBX-DOIPELPJSA-N 0 3 483.723 3.331 20 0 JGADHN CC[C@@H](C)N(C)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001305620934 1068906931 /nfs/dbraw/zinc/90/69/31/1068906931.db2.gz KYADYYNAASFZFN-QGZVFWFLSA-N 0 3 484.066 3.254 20 0 JGADHN CC[C@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1SC ZINC001305620909 1068907115 /nfs/dbraw/zinc/90/71/15/1068907115.db2.gz XSBFMKUASVHGTI-PKOBYXMFSA-N 0 3 465.689 3.269 20 0 JGADHN CC[C@@H](C)NC(=O)CCn1c([C@H](C)CC)nnc1N1CCN(C2Cc3ccccc3C2)CC1 ZINC001305625410 1068920249 /nfs/dbraw/zinc/92/02/49/1068920249.db2.gz KSZHITFXFQZPTB-WOJBJXKFSA-N 0 3 452.647 3.386 20 0 JGADHN CC[C@H](C)NC(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001305626630 1068923779 /nfs/dbraw/zinc/92/37/79/1068923779.db2.gz BXIRCWRFGODOHD-GBESFXJTSA-N 0 3 472.634 3.186 20 0 JGADHN CC[C@H](C)NC(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C2CCOCC2)CC1 ZINC001305641246 1068959117 /nfs/dbraw/zinc/95/91/17/1068959117.db2.gz KMQJIJGUJFSWBQ-QFIPXVFZSA-N 0 3 498.672 3.080 20 0 JGADHN CC[C@@H](c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1C[C@]1(O)CCC[C@@H]1C)c1ccccc1 ZINC001305672866 1069021654 /nfs/dbraw/zinc/02/16/54/1069021654.db2.gz NXYWFXPBQALFNZ-ZQIDGUAPSA-N 0 3 496.700 3.362 20 0 JGADHN CC[C@@H](c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1C[C@H]1CCC[C@@H](O)C1)c1ccccc1 ZINC001305673051 1069022015 /nfs/dbraw/zinc/02/20/15/1069022015.db2.gz PJUVMUCVGSJKQV-ICDZXHCJSA-N 0 3 496.700 3.362 20 0 JGADHN CC[C@@H](c1nnc(N2CCC[C@H](OC)C2)n1C[C@@H](C)N1CCN(CC)CC1)c1ccccc1 ZINC001305676586 1069030495 /nfs/dbraw/zinc/03/04/95/1069030495.db2.gz SSBQUNMAERYLAB-YFNKSVMNSA-N 0 3 454.663 3.461 20 0 JGADHN CCC(CC)(Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@@H]2CCOC2)CC1)SC ZINC001305689257 1069053466 /nfs/dbraw/zinc/05/34/66/1069053466.db2.gz RPBUDQRQXABXFZ-IBGZPJMESA-N 0 3 487.674 3.006 20 0 JGADHN CCC(CC)[C@@H](Cn1c(-c2ccccc2OC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)N(C)C ZINC001305707774 1069098639 /nfs/dbraw/zinc/09/86/39/1069098639.db2.gz GEAKQDSJTIRIQD-PXDATVDWSA-N 0 3 489.686 3.335 20 0 JGADHN CCC(CC)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CC[C@](C)(C(N)=O)C1)N1CCOCC1 ZINC001305710346 1069107321 /nfs/dbraw/zinc/10/73/21/1069107321.db2.gz VAVAFZRAXCRWAY-GJZUVCINSA-N 0 3 468.646 3.092 20 0 JGADHN CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC)[C@H](C)C1)N1CCOCC1 ZINC001305715629 1069121032 /nfs/dbraw/zinc/12/10/32/1069121032.db2.gz NGGKDAQJIZIHKH-PUHATCMVSA-N 0 3 462.683 3.187 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N(C)C2Cc3ccccc3C2)n1C[C@@]1(N(C)C)CCSC1 ZINC001305721248 1069131081 /nfs/dbraw/zinc/13/10/81/1069131081.db2.gz WJEQGJZQZGTKKR-VWLOTQADSA-N 0 3 470.687 3.237 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N(C)Cc2nc3ccccc3c(=O)[nH]2)n1CCN1CCC[C@H](C)C1 ZINC001305724207 1069138575 /nfs/dbraw/zinc/13/85/75/1069138575.db2.gz IYRCERVEVVIFEC-SFHVURJKSA-N 0 3 494.644 3.214 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N(C)Cc2cccs2)n1C[C@]1(N(C)C)CCSC1 ZINC001305725618 1069141635 /nfs/dbraw/zinc/14/16/35/1069141635.db2.gz SNQFIILHQVEPIY-OAQYLSRUSA-N 0 3 450.678 3.332 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc3c(c2)OCO3)n1CCN1CCC[C@@H]1C ZINC001305726627 1069143965 /nfs/dbraw/zinc/14/39/65/1069143965.db2.gz QQYWRJRCGKIBSS-KRWDZBQOSA-N 0 3 456.591 3.046 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)N(CC)C[C@@H]2C)n1Cc1ccccc1-n1cccn1 ZINC001305737202 1069160411 /nfs/dbraw/zinc/16/04/11/1069160411.db2.gz GLOSIGKPNZSMEI-UXHICEINSA-N 0 3 478.645 3.349 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1C[C@@](C)(O)C1CCCCC1 ZINC001305740644 1069170925 /nfs/dbraw/zinc/17/09/25/1069170925.db2.gz QKHIAMPWVGMJIP-OSWQYVSFSA-N 0 3 462.683 3.447 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)N(CC)C[C@@H]2C)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001305743732 1069180540 /nfs/dbraw/zinc/18/05/40/1069180540.db2.gz YEHUYIOBFLYMDM-MOPGFXCFSA-N 0 3 498.676 3.257 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccccc3OC)C2)n1CCN1CCCC1 ZINC001305752985 1069201520 /nfs/dbraw/zinc/20/15/20/1069201520.db2.gz VHFSFVVAZVJWQB-IBGZPJMESA-N 0 3 454.619 3.295 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CC[C@H](Oc3ccccn3)C2)n1CCN1CCCC(C)(C)C1 ZINC001305757768 1069215423 /nfs/dbraw/zinc/21/54/23/1069215423.db2.gz DPXXYADYSRSMNA-NRFANRHFSA-N 0 3 483.661 3.371 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CC[C@]3(C2)CCCOC3)n1C[C@@H](C)N1CCC(C)CC1 ZINC001305759222 1069220620 /nfs/dbraw/zinc/22/06/20/1069220620.db2.gz CAJIGISCBLFNSI-NLFFAJNJSA-N 0 3 460.667 3.324 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCc3ccc(O)cc3C2)n1CC(C)(C)N1CCC(OC)CC1 ZINC001305761216 1069227268 /nfs/dbraw/zinc/22/72/68/1069227268.db2.gz IQKHKKMXGLYLIP-UHFFFAOYSA-N 0 3 498.672 3.354 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(=O)OC)C2)n1C[C@H]1CCCN1Cc1ccccc1 ZINC001305765671 1069236958 /nfs/dbraw/zinc/23/69/58/1069236958.db2.gz WPUSLVIKGCGAJQ-JTHBVZDNSA-N 0 3 496.656 3.251 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2ccc(C)o2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305768577 1069242379 /nfs/dbraw/zinc/24/23/79/1069242379.db2.gz CYLOEVNYXQPIOK-NRFANRHFSA-N 0 3 485.677 3.465 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1C[C@H](C)N1CCC(C)CC1 ZINC001305774540 1069255768 /nfs/dbraw/zinc/25/57/68/1069255768.db2.gz WGHHYJHNQYESLY-NRFANRHFSA-N 0 3 489.709 3.012 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2Cc2ccccc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305775055 1069257172 /nfs/dbraw/zinc/25/71/72/1069257172.db2.gz IVACRQFVURIYMF-DEOSSOPVSA-N 0 3 495.716 3.434 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]3CC[C@@H]32)n1CC(C)(C)N1CCC(OC)CC1 ZINC001305777907 1069264280 /nfs/dbraw/zinc/26/42/80/1069264280.db2.gz VVIBSDDPTFQFFT-NQIIRXRSSA-N 0 3 460.667 3.465 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C)cc3)CC2)n1CCN1CCC[C@H]1C ZINC001305784535 1069280851 /nfs/dbraw/zinc/28/08/51/1069280851.db2.gz WQZFPNHPJNQLJM-OAQYLSRUSA-N 0 3 467.662 3.316 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1C[C@@H](C)c1ccccc1 ZINC001305785169 1069284587 /nfs/dbraw/zinc/28/45/87/1069284587.db2.gz IKTKVERWAHXQFJ-HXUWFJFHSA-N 0 3 468.646 3.301 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCCCC3)CC2)n1C[C@H]1CCC[C@H]1OC ZINC001305786311 1069289714 /nfs/dbraw/zinc/28/97/14/1069289714.db2.gz UIXYXWHTYSKFQH-DENIHFKCSA-N 0 3 460.667 3.466 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCCCC3)CC2)n1C[C@@H]1CCC[C@@H]1OC ZINC001305786320 1069290202 /nfs/dbraw/zinc/29/02/02/1069290202.db2.gz UIXYXWHTYSKFQH-UGKGYDQZSA-N 0 3 460.667 3.466 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(CC3CCCCC3)CC2)n1C[C@H]1CCCOC1 ZINC001305786852 1069292027 /nfs/dbraw/zinc/29/20/27/1069292027.db2.gz BIKDMGJHDVKHKG-OAQYLSRUSA-N 0 3 460.667 3.325 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN3CCCC[C@@H]3C2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001305787455 1069294526 /nfs/dbraw/zinc/29/45/26/1069294526.db2.gz AFXCTEKMLMCAJT-PKTZIBPZSA-N 0 3 485.652 3.313 20 0 JGADHN CCOC(=O)c1cnc(C(F)(F)N2CCC(N3CCC(C(=O)OCC)CC3)CC2)nc1Cl ZINC001164614229 719021579 /nfs/dbraw/zinc/02/15/79/719021579.db2.gz PZIJOAFJCQFZOM-UHFFFAOYSA-N 0 3 474.936 3.096 20 0 JGADHN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3[nH]cc(C(=O)OC)c31)CC2 ZINC001164658031 719351876 /nfs/dbraw/zinc/35/18/76/719351876.db2.gz BLKFQXQGLXGFQQ-UHFFFAOYSA-N 0 3 471.565 3.439 20 0 JGADHN COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(S(=O)(=O)[N-]c3cc(F)ccc3F)cn1)C2 ZINC001164813746 720181792 /nfs/dbraw/zinc/18/17/92/720181792.db2.gz DWOWUVPJFXWXPE-KOSHJBKYSA-N 0 3 492.592 3.345 20 0 JGADHN COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(S(=O)(=O)[N-]c3cc(F)ccc3F)cn1)C2 ZINC001164813746 720181805 /nfs/dbraw/zinc/18/18/05/720181805.db2.gz DWOWUVPJFXWXPE-KOSHJBKYSA-N 0 3 492.592 3.345 20 0 JGADHN CCS(=O)(=O)c1cc(C(F)(F)N2CC[C@]3(CN(CC4CC4)C[C@H]3COC)C2)cnc1Cl ZINC001164812803 720205136 /nfs/dbraw/zinc/20/51/36/720205136.db2.gz MHPXDTUWPUPJGK-PXNSSMCTSA-N 0 3 478.005 3.258 20 0 JGADHN Fc1ccccc1N1CCN(c2cc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)ncn2)CC1 ZINC001164732830 720449976 /nfs/dbraw/zinc/44/99/76/720449976.db2.gz OMCQHHCSCAPRSP-ZEQRLZLVSA-N 0 3 459.573 3.191 20 0 JGADHN Fc1ccccc1N1CCN(c2cc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)ncn2)CC1 ZINC001164732828 720451124 /nfs/dbraw/zinc/45/11/24/720451124.db2.gz OMCQHHCSCAPRSP-DNQXCXABSA-N 0 3 459.573 3.191 20 0 JGADHN COc1ccc(-c2csc3ncnc(N4CCN5C[C@@H](Oc6cncnc6)C[C@H]5C4)c23)cc1 ZINC001164744792 720757976 /nfs/dbraw/zinc/75/79/76/720757976.db2.gz SSRFTOWOAFIGDU-HKUYNNGSSA-N 0 3 460.563 3.499 20 0 JGADHN Cc1sc2nc(CN3CCCC3)nc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1C ZINC001164737861 720762613 /nfs/dbraw/zinc/76/26/13/720762613.db2.gz DCRYEZOVVLGDNB-RTBURBONSA-N 0 3 465.627 3.036 20 0 JGADHN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164740952 720763877 /nfs/dbraw/zinc/76/38/77/720763877.db2.gz LNOZFBQQOOKLCV-RBUKOAKNSA-N 0 3 467.643 3.282 20 0 JGADHN COc1cccc(-c2nc3ccccc3c(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)c1 ZINC001164740463 720782895 /nfs/dbraw/zinc/78/28/95/720782895.db2.gz LFZPXYJUZHMDCD-TZIWHRDSSA-N 0 3 454.534 3.437 20 0 JGADHN c1cnc(-c2nc3sc4c(c3c(N3CCN5C[C@@H](Oc6cncnc6)C[C@H]5C3)n2)CCCC4)cn1 ZINC001164750336 720789568 /nfs/dbraw/zinc/78/95/68/720789568.db2.gz VDVROHJLHXZNIY-IRXDYDNUSA-N 0 3 486.605 3.159 20 0 JGADHN c1ccc(COc2ccc3c(c2)ncnc3N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)cc1 ZINC001164751955 720801496 /nfs/dbraw/zinc/80/14/96/720801496.db2.gz YHUMNXWYHVSPEH-IFMALSPDSA-N 0 3 454.534 3.341 20 0 JGADHN O=C(c1cc(Cl)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1)N1CCCCC1 ZINC001164867772 721062921 /nfs/dbraw/zinc/06/29/21/721062921.db2.gz KILKPOOYEGGKSL-RTWAWAEBSA-N 0 3 455.990 3.236 20 0 JGADHN O=C(c1cccnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1)N1CCc2ccccc21 ZINC001164872225 721139539 /nfs/dbraw/zinc/13/95/39/721139539.db2.gz GZLHBPBNPNXCJC-GOTSBHOMSA-N 0 3 455.562 3.159 20 0 JGADHN Cc1sc2nc(CN3CCOCC3)nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1C ZINC001164874532 721145727 /nfs/dbraw/zinc/14/57/27/721145727.db2.gz KKERNRILRDQAAN-YADHBBJMSA-N 0 3 494.665 3.015 20 0 JGADHN COc1ccc(-c2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)nn2)c(OC)c1OC ZINC001164879436 721172136 /nfs/dbraw/zinc/17/21/36/721172136.db2.gz SGBYAHRCAGYXGZ-PMACEKPBSA-N 0 3 477.565 3.044 20 0 JGADHN COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3[n-]c(C(=O)OC)cc31)CC2 ZINC001164786683 721462346 /nfs/dbraw/zinc/46/23/46/721462346.db2.gz PDRXUFVZNXSYLL-QGZVFWFLSA-N 0 3 492.020 3.132 20 0 JGADHN COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)nc3[n-]c(C(=O)OC)cc31)CC2 ZINC001164786683 721462348 /nfs/dbraw/zinc/46/23/48/721462348.db2.gz PDRXUFVZNXSYLL-QGZVFWFLSA-N 0 3 492.020 3.132 20 0 JGADHN CCC(C)(C)NS(=O)(=O)c1ccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164907241 721556185 /nfs/dbraw/zinc/55/61/85/721556185.db2.gz MYLRPCPDDRUIQR-QUCCMNQESA-N 0 3 462.591 3.030 20 0 JGADHN COc1cccc(CN2C[C@@H]3CCN(c4ccc(CN(C)C5CC5)cn4)CC[C@@H]3S2(=O)=O)c1 ZINC001164801481 721592854 /nfs/dbraw/zinc/59/28/54/721592854.db2.gz FBKWATBWRVHJHI-URXFXBBRSA-N 0 3 470.639 3.115 20 0 JGADHN O=C1NCCc2[nH]c(-c3ccnc(N4CCC(F)(F)[C@@]5(CCN(Cc6ccccn6)C5)C4)c3)cc21 ZINC001164903766 721701135 /nfs/dbraw/zinc/70/11/35/721701135.db2.gz CEYAOCMVTLDNSU-RUZDIDTESA-N 0 3 478.547 3.495 20 0 JGADHN COC(=O)c1cc2c(OC)[nH]c(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)cc-2n1 ZINC001164907450 721702484 /nfs/dbraw/zinc/70/24/84/721702484.db2.gz SYBKYRXRSJGXFL-QHCPKHFHSA-N 0 3 471.508 3.491 20 0 JGADHN O=c1ccccn1Cc1ccc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164911832 721726638 /nfs/dbraw/zinc/72/66/38/721726638.db2.gz KVNQLPDYBQNPOV-XMMPIXPASA-N 0 3 451.521 3.424 20 0 JGADHN CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3CCN(C4CCCC4)CC3)c2c1C ZINC001165031642 721859949 /nfs/dbraw/zinc/85/99/49/721859949.db2.gz GNPFSFWVZZQSBU-UHFFFAOYSA-N 0 3 473.643 3.073 20 0 JGADHN CCc1cc(N2CCC3(CC2)CN(Cc2ccc(C)cc2)CCO3)nc(N2CCOCC2)n1 ZINC001164939687 721928667 /nfs/dbraw/zinc/92/86/67/721928667.db2.gz OMIKLBQBDMTTFZ-UHFFFAOYSA-N 0 3 451.615 3.055 20 0 JGADHN CC(C)(C)C(=O)Nc1ccnc(N2CCN(CCOc3ccccc3)CC2)c1CN1CC[C@@H](CO)C1 ZINC001165044012 721958132 /nfs/dbraw/zinc/95/81/32/721958132.db2.gz CAIYWZFKRVRATH-JOCHJYFZSA-N 0 3 495.668 3.081 20 0 JGADHN FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164963465 722059798 /nfs/dbraw/zinc/05/97/98/722059798.db2.gz YYYKWJGCHJBSDX-UHFFFAOYSA-N 0 3 463.920 3.017 20 0 JGADHN c1ccc(CN2CCc3ncnc(N4CC[C@@H]5CN(Cc6cccnc6)CCO[C@H]5C4)c3C2)cc1 ZINC001164985255 722104844 /nfs/dbraw/zinc/10/48/44/722104844.db2.gz VRWOWWOSZXOAIH-SQHAQQRYSA-N 0 3 470.621 3.157 20 0 JGADHN FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164975465 722105197 /nfs/dbraw/zinc/10/51/97/722105197.db2.gz BVFQBGISJRPBFR-MOPGFXCFSA-N 0 3 478.975 3.397 20 0 JGADHN CCOC(Cc1c(Cl)ncnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1)OCC ZINC001164975103 722118706 /nfs/dbraw/zinc/11/87/06/722118706.db2.gz JKWWYCRERSEOAW-TZIWHRDSSA-N 0 3 476.021 3.194 20 0 JGADHN COC(=O)c1cc(Cl)nc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164983663 722124851 /nfs/dbraw/zinc/12/48/51/722124851.db2.gz YXLPLNORPHHPEQ-FUHWJXTLSA-N 0 3 466.916 3.189 20 0 JGADHN COC(=O)c1cc(Cl)nc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164983665 722125143 /nfs/dbraw/zinc/12/51/43/722125143.db2.gz YXLPLNORPHHPEQ-SJLPKXTDSA-N 0 3 466.916 3.189 20 0 JGADHN COC(=O)c1cc2c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)[nH]c(Cl)cc-2n1 ZINC001164980307 722132049 /nfs/dbraw/zinc/13/20/49/722132049.db2.gz MQSAXXMBHMPXHG-OXQOHEQNSA-N 0 3 455.946 3.125 20 0 JGADHN COC(=O)c1cnc(Cl)c(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164983799 722136697 /nfs/dbraw/zinc/13/66/97/722136697.db2.gz UZOJCZKXMWFJDM-APWZRJJASA-N 0 3 466.916 3.189 20 0 JGADHN COC(=O)c1cnc(Cl)cc1C(F)(F)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164973402 722139713 /nfs/dbraw/zinc/13/97/13/722139713.db2.gz CBXUEPIPYIACQE-LPHOPBHVSA-N 0 3 466.916 3.189 20 0 JGADHN COC(=O)c1cnc(Cl)cc1C(F)(F)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973407 722139956 /nfs/dbraw/zinc/13/99/56/722139956.db2.gz CBXUEPIPYIACQE-QFBILLFUSA-N 0 3 466.916 3.189 20 0 JGADHN FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975181 722150977 /nfs/dbraw/zinc/15/09/77/722150977.db2.gz FHRDLSJOWVMAHQ-ZWKOTPCHSA-N 0 3 476.915 3.452 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCS[C@H](C)C2)n1CC(C)(C)N1CCC(OC)CC1 ZINC001305800040 1069322156 /nfs/dbraw/zinc/32/21/56/1069322156.db2.gz JYUTURSVAFPJIW-QGZVFWFLSA-N 0 3 466.696 3.028 20 0 JGADHN CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCCCC2)CC1)NC(=O)OC(C)(C)C ZINC001305802286 1069325683 /nfs/dbraw/zinc/32/56/83/1069325683.db2.gz CHHCXLCXKGVFBW-IBGZPJMESA-N 0 3 491.681 3.174 20 0 JGADHN CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1)c1ccccc1 ZINC001305805806 1069333381 /nfs/dbraw/zinc/33/33/81/1069333381.db2.gz YVGQBUDIZRCRNV-LADGPHEKSA-N 0 3 481.689 3.215 20 0 JGADHN CC[C@H](Cn1c([C@H](C)OCCOC)nnc1N1CCCO[C@H](C)C1)N1CCc2ccccc2C1 ZINC001305810674 1069340579 /nfs/dbraw/zinc/34/05/79/1069340579.db2.gz PWQPNMXMRUZTOT-ZFGGDYGUSA-N 0 3 471.646 3.454 20 0 JGADHN CCC(O)(CC)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001305858427 1069413979 /nfs/dbraw/zinc/41/39/79/1069413979.db2.gz RYHPNWXFYFTBAC-CEMLEFRQSA-N 0 3 477.694 3.437 20 0 JGADHN CCc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](c3nc(C)no3)C2)N(C)C)cc1 ZINC001305914303 1069469150 /nfs/dbraw/zinc/46/91/50/1069469150.db2.gz BBIJEMURFDKJBG-VXKWHMMOSA-N 0 3 494.644 3.357 20 0 JGADHN CCc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](c3nc(C)no3)C2)N(C)C)cc1 ZINC001305914304 1069469182 /nfs/dbraw/zinc/46/91/82/1069469182.db2.gz BBIJEMURFDKJBG-YADHBBJMSA-N 0 3 494.644 3.357 20 0 JGADHN CCc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H](c3nc(C)no3)C2)N(C)C)cc1 ZINC001305914301 1069469206 /nfs/dbraw/zinc/46/92/06/1069469206.db2.gz BBIJEMURFDKJBG-FCHUYYIVSA-N 0 3 494.644 3.357 20 0 JGADHN CCc1ccc([C@H](Cn2c(C3CCC3)nnc2N2CCC(NS(=O)(=O)CC)CC2)N(C)C)cc1 ZINC001305915340 1069470341 /nfs/dbraw/zinc/47/03/41/1069470341.db2.gz AYCRIJVCHTUWQH-QHCPKHFHSA-N 0 3 488.702 3.319 20 0 JGADHN CCc1ccc([C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H]2CC)N(C)C)cc1 ZINC001305916798 1069471475 /nfs/dbraw/zinc/47/14/75/1069471475.db2.gz NGOYYJGHLFIOBW-WMQCIHAUSA-N 0 3 462.664 3.132 20 0 JGADHN CCc1ccc([C@H](Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)OC)N(C)C)cc1 ZINC001305916894 1069472000 /nfs/dbraw/zinc/47/20/00/1069472000.db2.gz FMBGKBGMXFJZHE-QFIPXVFZSA-N 0 3 464.618 3.315 20 0 JGADHN CCc1ccc(-c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2C[C@H](C)CN2CCCCC2)cc1 ZINC001305917759 1069472573 /nfs/dbraw/zinc/47/25/73/1069472573.db2.gz MGOYCWULGYGNSX-KNQAVFIVSA-N 0 3 459.660 3.253 20 0 JGADHN CCc1ccc([C@@H](Cn2c([C@H]3CCOC3)nnc2N2CCCN(C(=O)C(C)C)CC2)N(C)C)cc1 ZINC001305920503 1069475854 /nfs/dbraw/zinc/47/58/54/1069475854.db2.gz SGPTWSLXQKIHMG-BJKOFHAPSA-N 0 3 482.673 3.342 20 0 JGADHN CCc1ccc([C@H](Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@@H](CC(N)=O)C2)N(C)C)cc1 ZINC001305919254 1069474742 /nfs/dbraw/zinc/47/47/42/1069474742.db2.gz OBUAWMSEKJQSGN-ACIOBRDBSA-N 0 3 468.646 3.477 20 0 JGADHN CCc1ccc([C@H](Cn2c([C@H]3CCCCO3)nnc2N2CC(=O)N(C)C[C@H]2C)N(C)C)cc1 ZINC001305920801 1069476359 /nfs/dbraw/zinc/47/63/59/1069476359.db2.gz UQUJQODGKDEUTP-BVYCBKJFSA-N 0 3 454.619 3.052 20 0 JGADHN CN(C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N(C)CC(C)(C)CN1CCOCC1)c1ccccc1 ZINC001298239275 1064143340 /nfs/dbraw/zinc/14/33/40/1064143340.db2.gz GUANFEYRHDIRNX-XZOQPEGZSA-N 0 3 470.662 3.227 20 0 JGADHN CC(C)(C)N1C(=O)C[C@H](C(=O)NC[C@H]2CCCCN2CCO)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001298288265 1064174345 /nfs/dbraw/zinc/17/43/45/1064174345.db2.gz IXPDFRUTIGQWMT-WWMYMODYSA-N 0 3 453.986 3.130 20 0 JGADHN CN(Cc1ccc2c(c1)OCCO2)c1nnc(CC(C)(C)C)n1CCN1CCN(C)C(C)(C)C1 ZINC001298325433 1064201044 /nfs/dbraw/zinc/20/10/44/1064201044.db2.gz YDPWVMUQPZIOPX-UHFFFAOYSA-N 0 3 470.662 3.300 20 0 JGADHN COC(=O)[C@@H]1CN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)C[C@H]1c1ccc(O)cc1 ZINC001298362680 1064219653 /nfs/dbraw/zinc/21/96/53/1064219653.db2.gz FVHRLHDKTIZNME-PNTFMKQHSA-N 0 3 450.579 3.450 20 0 JGADHN CN1C[C@@H]2CCN(C(=O)c3ccccc3OCC(=O)Nc3ccc(Br)cc3)[C@@H]2C1 ZINC001298377117 1064225357 /nfs/dbraw/zinc/22/53/57/1064225357.db2.gz KBUABYYYVIUPIS-HNAYVOBHSA-N 0 3 458.356 3.243 20 0 JGADHN CN1C[C@@H]2CCN(C(=O)c3ccc(CNS(=O)(=O)c4ccc(C(C)(C)C)cc4)cc3)[C@@H]2C1 ZINC001298378289 1064225395 /nfs/dbraw/zinc/22/53/95/1064225395.db2.gz XIZIYSVASVMQQB-NZQKXSOJSA-N 0 3 455.624 3.239 20 0 JGADHN COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)cc1OC ZINC001298379104 1064226092 /nfs/dbraw/zinc/22/60/92/1064226092.db2.gz ZAQVGFPJYXUAOH-AYOQOUSVSA-N 0 3 453.539 3.117 20 0 JGADHN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)cc1 ZINC001298378619 1064226117 /nfs/dbraw/zinc/22/61/17/1064226117.db2.gz LWKULMREXVMRNH-PGRDOPGGSA-N 0 3 457.596 3.069 20 0 JGADHN CN(CC1CCN(c2nnc([C@H]3CCOC3)n2CCN2CC=CCC2)CC1)C(=O)OC(C)(C)C ZINC001298564862 1064333227 /nfs/dbraw/zinc/33/32/27/1064333227.db2.gz MQGCUNSPJRBAFM-NRFANRHFSA-N 0 3 474.650 3.127 20 0 JGADHN CN(C)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CC1COC(C)(C)OC1)c1ccccc1 ZINC001298587592 1064360457 /nfs/dbraw/zinc/36/04/57/1064360457.db2.gz JYTKUKWDPYNWIX-YADHBBJMSA-N 0 3 457.619 3.310 20 0 JGADHN CN(CCC(F)(F)F)c1nnc(CCOc2ccccc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001298600823 1064375332 /nfs/dbraw/zinc/37/53/32/1064375332.db2.gz PZBQZMFWNWLLFT-UHFFFAOYSA-N 0 3 468.568 3.314 20 0 JGADHN CN(C)[C@@H](Cn1c(-c2cnccn2)nnc1N(C)CCc1nccs1)c1cccc(F)c1 ZINC001298633711 1064408942 /nfs/dbraw/zinc/40/89/42/1064408942.db2.gz KRWXTGLIEGFMHK-IBGZPJMESA-N 0 3 452.563 3.313 20 0 JGADHN CN(CCc1cnccn1)c1nnc(-c2ccccc2Br)n1CCN1CC=CCC1 ZINC001298633468 1064409069 /nfs/dbraw/zinc/40/90/69/1064409069.db2.gz ZTVCHZUKVZUQKM-UHFFFAOYSA-N 0 3 468.403 3.438 20 0 JGADHN CN(CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCS(=O)(=O)CC1)C1CCCC1 ZINC001298698701 1064502020 /nfs/dbraw/zinc/50/20/20/1064502020.db2.gz XMDHRYPIFXSAMP-UHFFFAOYSA-N 0 3 472.442 3.361 20 0 JGADHN CN(CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccc(F)cc1 ZINC001298703846 1064505206 /nfs/dbraw/zinc/50/52/06/1064505206.db2.gz ARZXFZWPSFHNIE-UHFFFAOYSA-N 0 3 498.607 3.007 20 0 JGADHN CN(CCn1c(-c2cnccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)Cc1ccc(F)cc1 ZINC001298704147 1064506395 /nfs/dbraw/zinc/50/63/95/1064506395.db2.gz IZCHRXJAGUGOCI-HXUWFJFHSA-N 0 3 496.591 3.110 20 0 JGADHN CN(CCn1c(-c2cnccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)Cc1ccc(F)cc1 ZINC001298704146 1064506452 /nfs/dbraw/zinc/50/64/52/1064506452.db2.gz IZCHRXJAGUGOCI-FQEVSTJZSA-N 0 3 496.591 3.110 20 0 JGADHN CN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(F)(F)F)C1)C1CCCCC1 ZINC001298714216 1064523914 /nfs/dbraw/zinc/52/39/14/1064523914.db2.gz LGKTWWGWQGRBLJ-SJORKVTESA-N 0 3 477.597 3.223 20 0 JGADHN CN(CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)Cc1ccccc1 ZINC001298714811 1064524656 /nfs/dbraw/zinc/52/46/56/1064524656.db2.gz QMOGGWQNBKCVSR-FCHUYYIVSA-N 0 3 484.645 3.408 20 0 JGADHN CN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC=C(C(F)(F)F)CC1)C1CCCCC1 ZINC001298715968 1064525152 /nfs/dbraw/zinc/52/51/52/1064525152.db2.gz ZWXWWEYDLUKQED-MRXNPFEDSA-N 0 3 475.581 3.144 20 0 JGADHN CN(CCN1CCN(c2nnc(C3CCC3)n2CCC(=O)NC(C)(C)C)CC1)Cc1ccccc1 ZINC001298727654 1064536915 /nfs/dbraw/zinc/53/69/15/1064536915.db2.gz HDWABUBOLWGAQQ-UHFFFAOYSA-N 0 3 481.689 3.104 20 0 JGADHN CN(CCN1CCOCC1)c1nnc(CSc2ccc(Cl)cc2)n1CCN1CCCCC1 ZINC001298740462 1064555155 /nfs/dbraw/zinc/55/51/55/1064555155.db2.gz JWDCDGVNPXECKJ-UHFFFAOYSA-N 0 3 479.094 3.478 20 0 JGADHN CN(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N(C)CCOC(C)(C)C)c1ccc(F)cc1 ZINC001298754910 1064565149 /nfs/dbraw/zinc/56/51/49/1064565149.db2.gz WQCPXKWMTFYSDW-FQEVSTJZSA-N 0 3 460.598 3.094 20 0 JGADHN CN(C[C@H]1CCCO1)c1nnc(CCCc2ccccc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001298790014 1064591611 /nfs/dbraw/zinc/59/16/11/1064591611.db2.gz IQCJUPNMBUBIKA-HSZRJFAPSA-N 0 3 454.663 3.095 20 0 JGADHN CN1C[C@@](C)(Cn2c(-c3ccc(Br)cc3)nnc2N2CCN(C(C)(C)C)CC2)C1=O ZINC001298870466 1064674943 /nfs/dbraw/zinc/67/49/43/1064674943.db2.gz AOLRMKLKWDIWGV-QFIPXVFZSA-N 0 3 475.435 3.106 20 0 JGADHN C[C@@H]1[C@@H](NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)CCN1Cc1ccccc1 ZINC001298884942 1064691031 /nfs/dbraw/zinc/69/10/31/1064691031.db2.gz CLKJDYHMRJVMNE-DVECYGJZSA-N 0 3 451.592 3.287 20 0 JGADHN C[C@@H]1[C@H](NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)CCN1Cc1ccccc1 ZINC001298884943 1064691082 /nfs/dbraw/zinc/69/10/82/1064691082.db2.gz CLKJDYHMRJVMNE-NTKDMRAZSA-N 0 3 451.592 3.287 20 0 JGADHN CN1CCCC(C)(C)[C@@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCS(=O)CC1 ZINC001298885265 1064691215 /nfs/dbraw/zinc/69/12/15/1064691215.db2.gz IIRJMPJDUZPIRR-SFHVURJKSA-N 0 3 454.015 3.427 20 0 JGADHN CN1CCCC(C)(C)[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001298886371 1064694073 /nfs/dbraw/zinc/69/40/73/1064694073.db2.gz GCWZHOXUITZVFK-SJORKVTESA-N 0 3 457.541 3.250 20 0 JGADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCC(F)(F)F)CC1 ZINC001298886847 1064695965 /nfs/dbraw/zinc/69/59/65/1064695965.db2.gz HUTZGAJMCXPMTF-LJQANCHMSA-N 0 3 482.526 3.093 20 0 JGADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CCCCOc2ccc(F)cc2)CC1 ZINC001298890002 1064699398 /nfs/dbraw/zinc/69/93/98/1064699398.db2.gz YGJKLFXDEGGDKQ-JOCHJYFZSA-N 0 3 486.636 3.317 20 0 JGADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)C(F)(F)F)CC1 ZINC001298890167 1064700521 /nfs/dbraw/zinc/70/05/21/1064700521.db2.gz ZSQVUVLGKYVYNS-GOSISDBHSA-N 0 3 470.584 3.342 20 0 JGADHN CN1CCN(CCn2c(CC(C)(C)C)nnc2N2CCN(c3ccccc3)CC2)CC1(C)C ZINC001298896100 1064702614 /nfs/dbraw/zinc/70/26/14/1064702614.db2.gz FPYJUFBDYDMDGX-UHFFFAOYSA-N 0 3 453.679 3.219 20 0 JGADHN CN1CCN(CCn2c(C3CCC3)nnc2N2CCC([C@@](C)(O)C(F)(F)F)CC2)CC1(C)C ZINC001298896089 1064702946 /nfs/dbraw/zinc/70/29/46/1064702946.db2.gz FPGIUMIWWMBYDK-JOCHJYFZSA-N 0 3 472.600 3.101 20 0 JGADHN Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CCC(=O)NC[C@H](c1ccc(CC(C)C)cc1)N(C)C ZINC001298901562 1064705341 /nfs/dbraw/zinc/70/53/41/1064705341.db2.gz UIKWVINLBBLRFF-JOCHJYFZSA-N 0 3 451.615 3.429 20 0 JGADHN CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(OC)c2)n1C[C@@H](c1cccs1)N(C)C ZINC001298964170 1064751053 /nfs/dbraw/zinc/75/10/53/1064751053.db2.gz HRSBCAFYOILDPM-LPHOPBHVSA-N 0 3 456.616 3.136 20 0 JGADHN CNC(=O)[C@@H](C)CN(C)c1nnc([C@H]2CCCCO2)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001298986457 1064770209 /nfs/dbraw/zinc/77/02/09/1064770209.db2.gz XLZRMDBLESHNCG-SIKLNZKXSA-N 0 3 468.646 3.175 20 0 JGADHN CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](c1ccccc1)N(C)C ZINC001299003601 1064783875 /nfs/dbraw/zinc/78/38/75/1064783875.db2.gz VPCNNJUZIRYBJB-WSWWRLHASA-N 0 3 470.662 3.318 20 0 JGADHN CN(C)CCN1C[C@@H](C(=O)N2CCC(c3cccc(NC(=O)OC(C)(C)C)c3)CC2)CC1=O ZINC001299097339 1064901834 /nfs/dbraw/zinc/90/18/34/1064901834.db2.gz VXYHEUJOGMUIMK-FQEVSTJZSA-N 0 3 458.603 3.150 20 0 JGADHN CO[C@]1(C)CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001299775112 1064976365 /nfs/dbraw/zinc/97/63/65/1064976365.db2.gz VFZOOCJBCCGMLY-IPVFLDMMSA-N 0 3 476.710 3.228 20 0 JGADHN CO[C@@]1(Cn2c(-c3ccccc3Br)nnc2N2CCN(C(C)(C)C)CC2)CCOC1 ZINC001299801989 1065000091 /nfs/dbraw/zinc/00/00/91/1065000091.db2.gz OZDUUMHJBJEISR-JOCHJYFZSA-N 0 3 478.435 3.434 20 0 JGADHN COc1cc(-c2nnc(N3CCN(C4CCCC4)CC3)n2CCC(C)(C)O)cc(OC)c1OC ZINC001299859222 1065072205 /nfs/dbraw/zinc/07/22/05/1065072205.db2.gz ZQVSJUJGDZEJPD-UHFFFAOYSA-N 0 3 473.618 3.197 20 0 JGADHN COc1cc(Cn2c(C(C)C)nnc2N2CCN(CCC(C)(C)C)CC2)ccc1OCCO ZINC001299878510 1065098005 /nfs/dbraw/zinc/09/80/05/1065098005.db2.gz NEGJBEOPIWMGCT-UHFFFAOYSA-N 0 3 459.635 3.388 20 0 JGADHN COc1cc(Cl)ccc1-c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(C)C)C1 ZINC001299895216 1065126510 /nfs/dbraw/zinc/12/65/10/1065126510.db2.gz NBUPQNKEOYPUFF-MJGOQNOKSA-N 0 3 496.077 3.351 20 0 JGADHN COc1cc(Cl)ccc1-c1nnc(N2CCN(CC(C)C)CC2)n1C[C@@]1(O)CCSC1 ZINC001299909138 1065155561 /nfs/dbraw/zinc/15/55/61/1065155561.db2.gz OLYFNTDCSRJVDC-QFIPXVFZSA-N 0 3 466.051 3.253 20 0 JGADHN COc1cc(OC)cc(N(C)c2nnc(C(C)(C)C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001299958962 1065238198 /nfs/dbraw/zinc/23/81/98/1065238198.db2.gz WXLRRARMVFTRQA-OAQYLSRUSA-N 0 3 472.634 3.303 20 0 JGADHN COc1ccc(C(C)(C)Cn2c(C(C)C)nnc2N2CCN(C(=O)CN3CCCC3)CC2)cc1OC ZINC001299978744 1065276025 /nfs/dbraw/zinc/27/60/25/1065276025.db2.gz GCKCQQPWKABYGE-UHFFFAOYSA-N 0 3 498.672 3.141 20 0 JGADHN COc1ccc([C@@H](C)N(C)c2nnc(Cn3nc(C)cc3C)n2CCN2CCN(C)C(C)(C)C2)cc1 ZINC001299986963 1065288564 /nfs/dbraw/zinc/28/85/64/1065288564.db2.gz NGPQINAOJVHOPW-JOCHJYFZSA-N 0 3 494.688 3.372 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N(C)CC3CC3)n2CCN2CCN(C)C(C)(C)C2)cc1C ZINC001492237105 1065336784 /nfs/dbraw/zinc/33/67/84/1065336784.db2.gz GAIJVRGGXZFIFO-UHFFFAOYSA-N 0 3 453.635 3.019 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N(C)C[C@@H]3CCCOC3)n2C[C@]2(N(C)C)CCSC2)cc1C ZINC001492240404 1065338177 /nfs/dbraw/zinc/33/81/77/1065338177.db2.gz KSHXCGHHIYXBHJ-NBGIEHNGSA-N 0 3 486.686 3.447 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCC(F)(F)CC3)n2CCN2CCN(C)C(C)(C)C2)cc1C ZINC001492249845 1065349355 /nfs/dbraw/zinc/34/93/55/1065349355.db2.gz FKJUYDYGJHOOMK-UHFFFAOYSA-N 0 3 489.615 3.409 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCN(C4CCOCC4)CC3)n2CC(F)(F)F)cc1C ZINC001492266163 1065360967 /nfs/dbraw/zinc/36/09/67/1065360967.db2.gz KFUAJKFPLHMNRA-UHFFFAOYSA-N 0 3 466.508 3.011 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCN(C4CCCCC4)C(=O)C3)n2C[C@@H](C)N(C)C)cc1C ZINC001492268068 1065363568 /nfs/dbraw/zinc/36/35/68/1065363568.db2.gz RGTXOGYWRPTHBR-HXUWFJFHSA-N 0 3 481.645 3.079 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C(C)C)C3)n2CCN2CCN(C)C(C)(C)C2)cc1C ZINC001492274105 1065368484 /nfs/dbraw/zinc/36/84/84/1065368484.db2.gz UPTFRLHOOAECNL-QHCPKHFHSA-N 0 3 497.688 3.034 20 0 JGADHN Cc1ccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H](c2cccs2)N(C)C)cc1 ZINC001492288525 1065383078 /nfs/dbraw/zinc/38/30/78/1065383078.db2.gz YPRCSZJXUBKWRJ-FQEVSTJZSA-N 0 3 476.610 3.483 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCC[C@H](CN4CCCC[C@H]4C)C3)n2CCS(C)(=O)=O)cc1 ZINC001492372417 1065438105 /nfs/dbraw/zinc/43/81/05/1065438105.db2.gz ZQZHCDZIGSIXPT-FGZHOGPDSA-N 0 3 489.686 3.301 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(C(C)(C)C)CC3)n2CCNC(=O)c2ccco2)cc1 ZINC001492382772 1065444636 /nfs/dbraw/zinc/44/46/36/1065444636.db2.gz CNOHDYFUEMWRCZ-UHFFFAOYSA-N 0 3 466.586 3.109 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(C(=O)NC(C)(C)C)CC3)n2CCN2CCCCC2)cc1 ZINC001492383373 1065447887 /nfs/dbraw/zinc/44/78/87/1065447887.db2.gz REDKUWGWVRTYBP-UHFFFAOYSA-N 0 3 483.661 3.282 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(C4CCOCC4)C[C@H]3C)n2CCC(C)(C)O)cc1 ZINC001492385665 1065453936 /nfs/dbraw/zinc/45/39/36/1065453936.db2.gz UGGCXDNYOUFMDW-HXUWFJFHSA-N 0 3 457.619 3.016 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(C4CCOCC4)C[C@H]3C)n2CCOCC(F)F)cc1 ZINC001492385968 1065454846 /nfs/dbraw/zinc/45/48/46/1065454846.db2.gz WGTPLQDRWUOPLJ-LJQANCHMSA-N 0 3 479.572 3.137 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCS[C@@H](C)C3)n2CCN2CCN(C)C(C)(C)C2)cc1 ZINC001492400992 1065469946 /nfs/dbraw/zinc/46/99/46/1065469946.db2.gz HDIFSFIRFMYTIK-FQEVSTJZSA-N 0 3 458.676 3.133 20 0 JGADHN Cc1ccc(OCCN(C)c2nnc(C(=O)N3CCCC3)n2CCN2CCC[C@@H](C)C2)cc1 ZINC001492419354 1065480452 /nfs/dbraw/zinc/48/04/52/1065480452.db2.gz XBNLLBCJTQFXGX-OAQYLSRUSA-N 0 3 454.619 3.070 20 0 JGADHN Cc1ccc(OCCN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2cccs2)N(C)C)cc1 ZINC001492420544 1065481065 /nfs/dbraw/zinc/48/10/65/1065481065.db2.gz GSHNNOQSLAKZIE-WOJBJXKFSA-N 0 3 468.627 3.417 20 0 JGADHN Cc1ccc(OCCn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CCC(C)(C)C)CC2)cc1 ZINC001492427804 1065486286 /nfs/dbraw/zinc/48/62/86/1065486286.db2.gz VKLYQTAQCRIGSO-OAQYLSRUSA-N 0 3 454.619 3.175 20 0 JGADHN Cc1ccc(SCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)CN(C)C)cc1 ZINC001492436489 1065491237 /nfs/dbraw/zinc/49/12/37/1065491237.db2.gz ITWGEPFXLCBVOX-GOSISDBHSA-N 0 3 465.689 3.090 20 0 JGADHN Cc1ccc(SCc2nnc(N3CCC(CN4CCOCC4)CC3)n2CC(C)(C)O)cc1 ZINC001492459983 1065508138 /nfs/dbraw/zinc/50/81/38/1065508138.db2.gz MIQUIJKUDCBYJV-UHFFFAOYSA-N 0 3 459.660 3.198 20 0 JGADHN COC[C@H](C)Cn1c(-c2ccccc2Br)nnc1N1CCN(C2CCOCC2)CC1 ZINC001300961030 1065769838 /nfs/dbraw/zinc/76/98/38/1065769838.db2.gz AYNJECIEDRBDRU-QGZVFWFLSA-N 0 3 478.435 3.291 20 0 JGADHN COC[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CCCC2)CC1)OC ZINC001301035565 1065877128 /nfs/dbraw/zinc/87/71/28/1065877128.db2.gz VVHLKSMTCXFNMY-SFTDATJTSA-N 0 3 492.665 3.076 20 0 JGADHN C=Cc1ccc(CCn2c(CC(C)C)nnc2N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC001301103757 1065950284 /nfs/dbraw/zinc/95/02/84/1065950284.db2.gz RLBFGXYELWJIRD-UHFFFAOYSA-N 0 3 450.631 3.107 20 0 JGADHN COCC1(Cn2c(CC(C)(C)C)nnc2N(C)C2CCN(CCn3cccn3)CC2)CCC1 ZINC001301144500 1065982078 /nfs/dbraw/zinc/98/20/78/1065982078.db2.gz YORBQMUQHISXHA-UHFFFAOYSA-N 0 3 457.667 3.481 20 0 JGADHN COCC1=CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001301195910 1066022548 /nfs/dbraw/zinc/02/25/48/1066022548.db2.gz ZZLVADKNNSINRI-UHFFFAOYSA-N 0 3 473.065 3.331 20 0 JGADHN COC[C@H]1CCCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)N(C)Cc2ccccc2)C1 ZINC001301226955 1066046235 /nfs/dbraw/zinc/04/62/35/1066046235.db2.gz DXPBEKVBKPUDOR-GGAORHGYSA-N 0 3 468.646 3.288 20 0 JGADHN COC[C@@H]1CCCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2C[C@@H](C)C[C@H](C)C2)C1 ZINC001301244386 1066060698 /nfs/dbraw/zinc/06/06/98/1066060698.db2.gz KDOUIYRYEMFSBM-FNAHDJPLSA-N 0 3 495.734 3.190 20 0 JGADHN COC[C@@H]1CCCCN(c2nnc(C3CCCC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC001301247207 1066063893 /nfs/dbraw/zinc/06/38/93/1066063893.db2.gz ZHXCVOWDBVKCQE-IRLDBZIGSA-N 0 3 460.667 3.131 20 0 JGADHN COC[C@H]1CCCCN(c2nnc(C3CCCC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC001301247209 1066063936 /nfs/dbraw/zinc/06/39/36/1066063936.db2.gz ZHXCVOWDBVKCQE-UNMCSNQZSA-N 0 3 460.667 3.131 20 0 JGADHN COCC1CCN(c2nnc(C(=O)NC(C)C)n2CC2(N3CCSCC3)CCCCC2)CC1 ZINC001301287695 1066095776 /nfs/dbraw/zinc/09/57/76/1066095776.db2.gz UJYFHHVVCLTASI-UHFFFAOYSA-N 0 3 478.707 3.031 20 0 JGADHN COCC1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001301304270 1066108246 /nfs/dbraw/zinc/10/82/46/1066108246.db2.gz MTQLTVWYNOEAPI-UHFFFAOYSA-N 0 3 491.080 3.496 20 0 JGADHN COC[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@H](c2cccc(OC)c2)N(C)C)C1 ZINC001301329029 1066122168 /nfs/dbraw/zinc/12/21/68/1066122168.db2.gz OMZFCEVHHMAYKX-NFBKMPQASA-N 0 3 450.587 3.048 20 0 JGADHN COCCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001301423072 1066216650 /nfs/dbraw/zinc/21/66/50/1066216650.db2.gz AATVYQHVRZPMCB-NRFANRHFSA-N 0 3 489.064 3.404 20 0 JGADHN COCC[C@@](C)(O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C2CCCCC2)CC1 ZINC001301434780 1066234046 /nfs/dbraw/zinc/23/40/46/1066234046.db2.gz OTARYOCWTMQVEY-HHHXNRCGSA-N 0 3 498.672 3.389 20 0 JGADHN CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(C)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001301945965 1066236078 /nfs/dbraw/zinc/23/60/78/1066236078.db2.gz WSJZNIPUTZTKKP-XMMPIXPASA-N 0 3 496.681 3.390 20 0 JGADHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H](C1CC1)N(C)C ZINC001301983816 1066292934 /nfs/dbraw/zinc/29/29/34/1066292934.db2.gz QIYKAYRENWQIRR-VCBZYWHSSA-N 0 3 498.491 3.306 20 0 JGADHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CC(C)(C)CN(C)C ZINC001301991263 1066311156 /nfs/dbraw/zinc/31/11/56/1066311156.db2.gz MRLXXDGSFZKMGV-MSOLQXFVSA-N 0 3 474.675 3.282 20 0 JGADHN CN(C)CCn1c2cc(C(=O)N[C@@](C)(C(=O)OC(C)(C)C)c3ccccc3)ccc2[nH]c1=O ZINC001301488633 1066312136 /nfs/dbraw/zinc/31/21/36/1066312136.db2.gz LQAUSPUXFWWRPW-RUZDIDTESA-N 0 3 452.555 3.290 20 0 JGADHN COCCc1noc(CN(C)c2nnc(-c3ccc(Cl)cc3)n2CCN2CC=CCC2)n1 ZINC001301496612 1066323269 /nfs/dbraw/zinc/32/32/69/1066323269.db2.gz SMTWZBXKECIDMA-UHFFFAOYSA-N 0 3 457.966 3.069 20 0 JGADHN COCC[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC001301502987 1066328657 /nfs/dbraw/zinc/32/86/57/1066328657.db2.gz JAEUKHUYVPFSPE-IRLDBZIGSA-N 0 3 477.613 3.400 20 0 JGADHN COCC[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC001301502986 1066328820 /nfs/dbraw/zinc/32/88/20/1066328820.db2.gz JAEUKHUYVPFSPE-IFMALSPDSA-N 0 3 477.613 3.400 20 0 JGADHN CCC1(N2CCOCC2)CCN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1 ZINC001302008592 1066351267 /nfs/dbraw/zinc/35/12/67/1066351267.db2.gz INLGQQKUXSJDMO-QGZVFWFLSA-N 0 3 454.398 3.450 20 0 JGADHN CCC1(N2CCOCC2)CCN(C(=O)[C@@H](CC(C)C)NC(=O)NCc2ccc(C)cc2)CC1 ZINC001302010503 1066353660 /nfs/dbraw/zinc/35/36/60/1066353660.db2.gz VXFHODNNWCSZBP-HSZRJFAPSA-N 0 3 458.647 3.312 20 0 JGADHN COCCCCCn1c(C2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001301539158 1066366824 /nfs/dbraw/zinc/36/68/24/1066366824.db2.gz GAUFNWIOHZHDJD-OFNKIYASSA-N 0 3 460.667 3.131 20 0 JGADHN COCCCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001301582467 1066418078 /nfs/dbraw/zinc/41/80/78/1066418078.db2.gz SPOYSNNFPHIXIO-UHFFFAOYSA-N 0 3 454.663 3.247 20 0 JGADHN CC(C)(C)c1nnc(Cn2c(Cc3cccnc3)nnc2N2CCN(C(C)(C)C)CC2)s1 ZINC001302043999 1066424086 /nfs/dbraw/zinc/42/40/86/1066424086.db2.gz COELBTFZSBOZPF-UHFFFAOYSA-N 0 3 454.648 3.382 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CC[C@@H]3OCCC[C@@H]3C2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001302049605 1066433757 /nfs/dbraw/zinc/43/37/57/1066433757.db2.gz XGWIYKAUDVHWLW-URHOCTSQSA-N 0 3 475.609 3.449 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1C[C@H]1CCCCN1C1CC1 ZINC001302052952 1066443069 /nfs/dbraw/zinc/44/30/69/1066443069.db2.gz GQMLFAXGONEXHY-KCZVDYSFSA-N 0 3 490.693 3.150 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1C[C@@H]1CCCCN1C1CC1 ZINC001302052954 1066443108 /nfs/dbraw/zinc/44/31/08/1066443108.db2.gz GQMLFAXGONEXHY-SJBKTWHCSA-N 0 3 490.693 3.150 20 0 JGADHN C/C(=C\c1ccccc1)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(N(C)C)CCSC1 ZINC001301623816 1066482086 /nfs/dbraw/zinc/48/20/86/1066482086.db2.gz OHJHFMYUBYYYLF-XDKREJCVSA-N 0 3 468.671 3.491 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@](C)(O)c1cc(C)oc1C ZINC001302080683 1066497872 /nfs/dbraw/zinc/49/78/72/1066497872.db2.gz UGEFCACQZVSFHC-YADARESESA-N 0 3 463.623 3.040 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1csc([C@H](C)OC)n1 ZINC001302082373 1066502785 /nfs/dbraw/zinc/50/27/85/1066502785.db2.gz XUCXTDKOCGWJHU-IRXDYDNUSA-N 0 3 466.652 3.135 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccccc1C1OCCO1 ZINC001302083414 1066504690 /nfs/dbraw/zinc/50/46/90/1066504690.db2.gz ZVJZQNVCSPEDOG-LJQANCHMSA-N 0 3 473.618 3.016 20 0 JGADHN CC(=O)N(C)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 ZINC001301641414 1066505467 /nfs/dbraw/zinc/50/54/67/1066505467.db2.gz IUEGRJNQZGGQPX-XMMPIXPASA-N 0 3 479.604 3.153 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1Cc1ccc(Cl)cc1F ZINC001302089183 1066515507 /nfs/dbraw/zinc/51/55/07/1066515507.db2.gz LLJQSYQLOIXELU-ZWKOTPCHSA-N 0 3 482.000 3.001 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCN(C3CCC(C)CC3)CC2)n1Cc1ccc(NC(C)=O)nc1 ZINC001302094341 1066522907 /nfs/dbraw/zinc/52/29/07/1066522907.db2.gz QCJQXXQRCRQEFU-KQVJYAISSA-N 0 3 499.660 3.105 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1C/C=C\c1ccccc1 ZINC001302094861 1066523689 /nfs/dbraw/zinc/52/36/89/1066523689.db2.gz SLVZIVSRPDYOEL-YASLREEFSA-N 0 3 469.630 3.405 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1Cc1ccc(C)cc1OC ZINC001302094812 1066523743 /nfs/dbraw/zinc/52/37/43/1066523743.db2.gz RVYGPGBFUAKASM-HXUWFJFHSA-N 0 3 457.619 3.432 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCN(C3CCCCC3)CC2)n1CCN(C)C(=O)OC(C)(C)C ZINC001302094782 1066523769 /nfs/dbraw/zinc/52/37/69/1066523769.db2.gz RCDHUMPADRAUKA-FQEVSTJZSA-N 0 3 494.681 3.324 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1C/C=C/c1ccccc1 ZINC001302094858 1066523818 /nfs/dbraw/zinc/52/38/18/1066523818.db2.gz SLVZIVSRPDYOEL-ALQXMYAYSA-N 0 3 469.630 3.405 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCO[C@@H](C(C)C)C2)n1CC1(N2CCSCC2)CCCC1 ZINC001302096406 1066526168 /nfs/dbraw/zinc/52/61/68/1066526168.db2.gz GUMIWDKKKFLUCX-NHCUHLMSSA-N 0 3 481.707 3.225 20 0 JGADHN CC(C)(C)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCc1ccc(F)c(F)c1F ZINC001302097191 1066529047 /nfs/dbraw/zinc/52/90/47/1066529047.db2.gz RXFJCHUTDSMNIT-MRXNPFEDSA-N 0 3 451.537 3.394 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCO[C@H](c3ccc(F)cc3F)C2)n1CCN1CCCCC1 ZINC001302104546 1066539000 /nfs/dbraw/zinc/53/90/00/1066539000.db2.gz DBQUEMWEORIGKB-AVRDEDQJSA-N 0 3 479.572 3.344 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCSC3(CCCCC3)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001302111817 1066551880 /nfs/dbraw/zinc/55/18/80/1066551880.db2.gz MQYYHRJJKZSDDN-NRFANRHFSA-N 0 3 494.750 3.284 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1C[C@H](c1cccs1)N1CCCC1 ZINC001302112892 1066554275 /nfs/dbraw/zinc/55/42/75/1066554275.db2.gz SISYNWPUSKMCDX-WCIQWLHISA-N 0 3 463.648 3.108 20 0 JGADHN COCCOc1ccc(Cn2c(C(C)C)nnc2N2CCN(CC3CCOCC3)CC2)cc1 ZINC001302128808 1066571308 /nfs/dbraw/zinc/57/13/08/1066571308.db2.gz CMCSLWJAECIIDP-UHFFFAOYSA-N 0 3 457.619 3.024 20 0 JGADHN COCCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCN(C(C)(C)C)CC2)cc1 ZINC001302136352 1066581915 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/nfs/dbraw/zinc/59/94/99/1066599499.db2.gz JIXVPIISZWBDJJ-OFNKIYASSA-N 0 3 469.678 3.489 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C)n3CC(C)(C)c3ccccc3F)C[C@H]2C)CC1 ZINC001301708273 1066599880 /nfs/dbraw/zinc/59/98/80/1066599880.db2.gz KPAXBXMSARKVFR-JPYJTQIMSA-N 0 3 456.610 3.082 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3C[C@H](C)Oc3ccccc3F)C[C@H]2C)CC1 ZINC001301708287 1066600096 /nfs/dbraw/zinc/60/00/96/1066600096.db2.gz KTWABRMWDZVYRF-ZRCGQRJVSA-N 0 3 486.636 3.387 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4ccccc4C)n3CCCOC(C)C)C[C@@H]2C)CC1 ZINC001301708408 1066600792 /nfs/dbraw/zinc/60/07/92/1066600792.db2.gz MNHNLIFFYNHLEH-DHLKQENFSA-N 0 3 482.673 3.448 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)C)n3CC(C)(C)c3ccccn3)C[C@H]2C)CC1 ZINC001301708498 1066601312 /nfs/dbraw/zinc/60/13/12/1066601312.db2.gz OBYVNNVQYIWVKQ-FYYLOGMGSA-N 0 3 481.689 3.228 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)C)n3CC(C)(C)c3ccccn3)C[C@@H]2C)CC1 ZINC001301708501 1066601371 /nfs/dbraw/zinc/60/13/71/1066601371.db2.gz OBYVNNVQYIWVKQ-JTHBVZDNSA-N 0 3 481.689 3.228 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc([C@H]4CCCCO4)n3CCCC(F)(F)F)C[C@H]2C)CC1 ZINC001301708523 1066601384 /nfs/dbraw/zinc/60/13/84/1066601384.db2.gz OLOBEHRLVQDUTA-MISYRCLQSA-N 0 3 486.583 3.241 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)(C)C)n3Cc3cccc(F)c3)C[C@@H]2C)CC1 ZINC001301709353 1066602670 /nfs/dbraw/zinc/60/26/70/1066602670.db2.gz UDPPRMWERCTHST-AVRDEDQJSA-N 0 3 456.610 3.142 20 0 JGADHN COCCO[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC001302159220 1066616039 /nfs/dbraw/zinc/61/60/39/1066616039.db2.gz KZKBZLTUSMMASD-XPWALMASSA-N 0 3 457.619 3.373 20 0 JGADHN CC(C)(C)Cc1nnc(N2CCN(C(C)(C)C)CC2)n1CC[C@H](N1CCOCC1)C(F)(F)F ZINC001302165317 1066626730 /nfs/dbraw/zinc/62/67/30/1066626730.db2.gz IHQAATNUADQXCX-SFHVURJKSA-N 0 3 474.616 3.440 20 0 JGADHN CC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](c2ccc(F)cc2)N(C)C)[C@@H](C)C1 ZINC001301721872 1066627713 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SOJHVXWBRMYXRX-KRWDZBQOSA-N 0 3 460.007 3.026 20 0 JGADHN COCCN(C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001301723149 1066633578 /nfs/dbraw/zinc/63/35/78/1066633578.db2.gz XDJGFGOMVMYNRB-SQNIBIBYSA-N 0 3 451.612 3.466 20 0 JGADHN COCCN(C)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCCC[C@@H](C)C1 ZINC001301729077 1066647759 /nfs/dbraw/zinc/64/77/59/1066647759.db2.gz DIDJVSOUVWQNEQ-HXUWFJFHSA-N 0 3 481.645 3.441 20 0 JGADHN COCCN(C)CCn1c(C2CCCC2)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC001301730938 1066650090 /nfs/dbraw/zinc/65/00/90/1066650090.db2.gz GWGUIIGKBFVHGR-UHFFFAOYSA-N 0 3 487.624 3.444 20 0 JGADHN CC(C)(C)Cc1nnc(N2CCN(CC3CCOCC3)CC2)n1C[C@@](C)(O)c1ccc(F)cc1 ZINC001302176366 1066650544 /nfs/dbraw/zinc/65/05/44/1066650544.db2.gz MNIZRIDUOKSMDZ-AREMUKBSSA-N 0 3 473.637 3.462 20 0 JGADHN COCCN(C)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)c1ccc(C)cc1 ZINC001301734994 1066656589 /nfs/dbraw/zinc/65/65/89/1066656589.db2.gz USMDTSOWNFZMFO-NRFANRHFSA-N 0 3 488.633 3.241 20 0 JGADHN COCCN(C)CCn1c(COc2ccccc2F)nnc1N1CCOC2(CCCCC2)C1 ZINC001301736348 1066658672 /nfs/dbraw/zinc/65/86/72/1066658672.db2.gz LZQCPKMSHHEONH-UHFFFAOYSA-N 0 3 461.582 3.114 20 0 JGADHN COCCN(C)CCn1c(N2CCO[C@H](c3ccccc3Br)C2)nnc1C(C)(C)C ZINC001301739594 1066660895 /nfs/dbraw/zinc/66/08/95/1066660895.db2.gz BVEUNVFMEQYTOX-IBGZPJMESA-N 0 3 480.451 3.494 20 0 JGADHN COCCN(C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 ZINC001301741239 1066662497 /nfs/dbraw/zinc/66/24/97/1066662497.db2.gz PYLMISCDXMVYCL-YPAWHYETSA-N 0 3 473.666 3.121 20 0 JGADHN CC(C)(C)CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001302185271 1066663479 /nfs/dbraw/zinc/66/34/79/1066663479.db2.gz IIIHCZGTCAKTCI-UHFFFAOYSA-N 0 3 489.686 3.476 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C(C)(C)O)c2)CC1 ZINC001302190959 1066672814 /nfs/dbraw/zinc/67/28/14/1066672814.db2.gz KTVCPNFMGVUUEX-OAQYLSRUSA-N 0 3 468.646 3.063 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C(C)(C)O)c2)CC1 ZINC001302190958 1066672904 /nfs/dbraw/zinc/67/29/04/1066672904.db2.gz KTVCPNFMGVUUEX-NRFANRHFSA-N 0 3 468.646 3.063 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(F)(F)F)CC1 ZINC001302192824 1066677381 /nfs/dbraw/zinc/67/73/81/1066677381.db2.gz LSZHZZKZYIWXHA-UHFFFAOYSA-N 0 3 458.554 3.390 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(COc3ccccc3F)n2CC2(O)CCOCC2)CC1 ZINC001302193143 1066678291 /nfs/dbraw/zinc/67/82/91/1066678291.db2.gz NVEZKVUAPDKTOF-UHFFFAOYSA-N 0 3 475.609 3.096 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(CC3CC3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 ZINC001302193606 1066678723 /nfs/dbraw/zinc/67/87/23/1066678723.db2.gz SKXNXJQXHDXVCO-FQEVSTJZSA-N 0 3 468.637 3.145 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ncnn2C(C)(C)C)CC1 ZINC001302193146 1066678765 /nfs/dbraw/zinc/67/87/65/1066678765.db2.gz NWUBEIXTZSIHFJ-LJQANCHMSA-N 0 3 458.655 3.473 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCn2cc(Br)cn2)CC1 ZINC001302193685 1066679605 /nfs/dbraw/zinc/67/96/05/1066679605.db2.gz SWLZLIIMHXZHJJ-GOSISDBHSA-N 0 3 494.482 3.390 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc([C@H]3CCOC3)n2CCCn2cc(Br)cn2)CC1 ZINC001302193689 1066679623 /nfs/dbraw/zinc/67/96/23/1066679623.db2.gz SWLZLIIMHXZHJJ-SFHVURJKSA-N 0 3 494.482 3.390 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(COc3ccc(Br)cc3)n2CC2(O)CCC2)CC1 ZINC001302201706 1066696682 /nfs/dbraw/zinc/69/66/82/1066696682.db2.gz AOIFIMSNYJOWKI-UHFFFAOYSA-N 0 3 478.435 3.455 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2CC[C@H](CO)O2)CC1 ZINC001302202297 1066697495 /nfs/dbraw/zinc/69/74/95/1066697495.db2.gz DJGJUSCZVYSCRQ-DLBZAZTESA-N 0 3 451.974 3.198 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(-c3ccccc3Br)n2C[C@@H]2COCCO2)CC1 ZINC001302202439 1066697879 /nfs/dbraw/zinc/69/78/79/1066697879.db2.gz GCZIRVQZKZUMAP-MRXNPFEDSA-N 0 3 464.408 3.044 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@H]2CCCCO2)CC1 ZINC001302203228 1066699182 /nfs/dbraw/zinc/69/91/82/1066699182.db2.gz QFQZMQZZGRBMHD-GOSISDBHSA-N 0 3 460.648 3.149 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(CN3CCCC3=O)n2CCOc2ccccc2Cl)CC1 ZINC001302202953 1066699318 /nfs/dbraw/zinc/69/93/18/1066699318.db2.gz LQLAMQASCODEOJ-UHFFFAOYSA-N 0 3 461.010 3.053 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(F)cc2Cl)CC1 ZINC001302203530 1066700095 /nfs/dbraw/zinc/70/00/95/1066700095.db2.gz SZWYCDCLYOWCRV-UHFFFAOYSA-N 0 3 463.001 3.356 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(Cc3ccccc3F)n2CCCOC[C@H]2CCOC2)CC1 ZINC001302203544 1066700160 /nfs/dbraw/zinc/70/01/60/1066700160.db2.gz UCYYOYWKNJULOD-HXUWFJFHSA-N 0 3 459.610 3.372 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCCn2cc(CO)nn2)CC1 ZINC001302204160 1066701209 /nfs/dbraw/zinc/70/12/09/1066701209.db2.gz XCVIZNMRRROKAC-UHFFFAOYSA-N 0 3 493.443 3.347 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCn2cncn2)CC1 ZINC001302204180 1066701433 /nfs/dbraw/zinc/70/14/33/1066701433.db2.gz YDTCEEVVRBFSSB-UHFFFAOYSA-N 0 3 477.386 3.059 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(COc3ccccc3F)n2CCC(=O)N2CCCCC2)CC1 ZINC001302204924 1066702499 /nfs/dbraw/zinc/70/24/99/1066702499.db2.gz RCAUNMWWAPCIFQ-UHFFFAOYSA-N 0 3 472.609 3.319 20 0 JGADHN CC(=O)Nc1ccc(CCn2c(Cc3ccccn3)nnc2N2CCN(CC(C)C)CC2)cc1 ZINC001301779680 1066728226 /nfs/dbraw/zinc/72/82/26/1066728226.db2.gz ZIXKHRGZGVTLNV-UHFFFAOYSA-N 0 3 461.614 3.243 20 0 JGADHN COc1ccc(C(=O)N2CCC[C@H]2C(=O)N[C@H]2CCN(Cc3cccc(C)c3)C2)c(OC)c1 ZINC001301781685 1066731515 /nfs/dbraw/zinc/73/15/15/1066731515.db2.gz FTVFPKPLCZQXEQ-REWPJTCUSA-N 0 3 451.567 3.008 20 0 JGADHN CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@H]2CCCO2)C1 ZINC001302225883 1066739018 /nfs/dbraw/zinc/73/90/18/1066739018.db2.gz VWOPZDRTTCWXNS-PMACEKPBSA-N 0 3 476.666 3.492 20 0 JGADHN CC(=O)NC1CCC(N(C)c2nnc(Cc3cccnc3)n2C[C@@H](c2ccccc2)N(C)C)CC1 ZINC001301808225 1066763301 /nfs/dbraw/zinc/76/33/01/1066763301.db2.gz PLMVVFLJYVGNBQ-STEQJIOHSA-N 0 3 475.641 3.450 20 0 JGADHN CC(=O)N[C@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2N(C)CCCC2(C)C)C1 ZINC001301813613 1066768638 /nfs/dbraw/zinc/76/86/38/1066768638.db2.gz MPRXYNYNEPGNNS-XZOQPEGZSA-N 0 3 495.672 3.373 20 0 JGADHN CC(=O)N[C@@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2N(C)CCCC2(C)C)C1 ZINC001301813611 1066768660 /nfs/dbraw/zinc/76/86/60/1066768660.db2.gz MPRXYNYNEPGNNS-PKTZIBPZSA-N 0 3 495.672 3.373 20 0 JGADHN COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC2CCCCC2)CC1 ZINC001301816523 1066773240 /nfs/dbraw/zinc/77/32/40/1066773240.db2.gz PSMIWYGPGQZHCH-UHFFFAOYSA-N 0 3 454.619 3.496 20 0 JGADHN COc1ccc(Br)cc1-c1nc(C(=O)N[C@H]2CCN(CC(C)(C)O)C2)cs1 ZINC001302247398 1066778428 /nfs/dbraw/zinc/77/84/28/1066778428.db2.gz TVFSCAGUAVWTPN-ZDUSSCGKSA-N 0 3 454.390 3.156 20 0 JGADHN COCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001301825783 1066788312 /nfs/dbraw/zinc/78/83/12/1066788312.db2.gz CCAOKTKVKVADMD-GOSISDBHSA-N 0 3 495.441 3.098 20 0 JGADHN CN(C)CCSc1nc(CC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)cs1 ZINC001302257427 1066801980 /nfs/dbraw/zinc/80/19/80/1066801980.db2.gz QRXQQSLKCUVJKK-OAHLLOKOSA-N 0 3 456.996 3.054 20 0 JGADHN CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(Br)cc3)n2CCN2CC=CCC2)C1 ZINC001301854347 1066833272 /nfs/dbraw/zinc/83/32/72/1066833272.db2.gz VQCCEUYLMPVKBT-IBGZPJMESA-N 0 3 487.446 3.322 20 0 JGADHN CC(C)C[C@H](C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1C)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC001301866298 1066857482 /nfs/dbraw/zinc/85/74/82/1066857482.db2.gz BQMNKXIUMZRMPW-PFKOEMKTSA-N 0 3 451.611 3.379 20 0 JGADHN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001301870116 1066861375 /nfs/dbraw/zinc/86/13/75/1066861375.db2.gz YCQUSJJTCFYOSS-XGHQBKJUSA-N 0 3 450.004 3.034 20 0 JGADHN CC(=O)NCC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001301882872 1066891001 /nfs/dbraw/zinc/89/10/01/1066891001.db2.gz GWCVJDYRIVGGRA-DEOSSOPVSA-N 0 3 479.604 3.443 20 0 JGADHN COCCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCCn2ccnc2C)C[C@H]1C ZINC001301888542 1066904356 /nfs/dbraw/zinc/90/43/56/1066904356.db2.gz RPQJXVPIANTVSK-GOSISDBHSA-N 0 3 473.025 3.136 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(CC(C)C)CC2)n1C[C@](C)(O)c1cccc(Cl)c1 ZINC001302311411 1066905120 /nfs/dbraw/zinc/90/51/20/1066905120.db2.gz JDSHJGWVKZBLOX-JTJYXVOQSA-N 0 3 492.064 3.341 20 0 JGADHN COCCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](c2ccsc2)N(C)C)C[C@H]1C ZINC001301889470 1066907386 /nfs/dbraw/zinc/90/73/86/1066907386.db2.gz ZNAAOTMOEGIBNK-XLIONFOSSA-N 0 3 458.632 3.368 20 0 JGADHN COCCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](c2ccco2)N(C)C)CC1 ZINC001301897216 1066921202 /nfs/dbraw/zinc/92/12/02/1066921202.db2.gz ULPBMIRYOYKTNL-HXUWFJFHSA-N 0 3 458.994 3.263 20 0 JGADHN COCCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccccc2Cl)N(C)C)C[C@H]1C ZINC001301910469 1066935383 /nfs/dbraw/zinc/93/53/83/1066935383.db2.gz CNSCCGKWGHEVDS-VIZSFHNOSA-N 0 3 491.080 3.285 20 0 JGADHN CC(C)(Cn1c(Cc2ccccn2)nnc1N1CCN(C[C@@H]2CCOC2)CC1)C(F)(F)F ZINC001302341406 1066940069 /nfs/dbraw/zinc/94/00/69/1066940069.db2.gz HVPGTYLNAWYILM-KRWDZBQOSA-N 0 3 452.525 3.011 20 0 JGADHN CC(C)(CN1CCCC1)Cn1c(Cc2ccsc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001302350444 1066945321 /nfs/dbraw/zinc/94/53/21/1066945321.db2.gz LCSUGTVEAPGMMG-FQEVSTJZSA-N 0 3 479.716 3.456 20 0 JGADHN CON(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](c1ccc(C)cc1)N(C)C ZINC001302350032 1066945344 /nfs/dbraw/zinc/94/53/44/1066945344.db2.gz ZOVFPXUVXYNOKQ-UXHICEINSA-N 0 3 474.606 3.195 20 0 JGADHN CC(C)(O)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001302354615 1066948089 /nfs/dbraw/zinc/94/80/89/1066948089.db2.gz XFGJNXMDPNOVSX-UHFFFAOYSA-N 0 3 482.673 3.148 20 0 JGADHN COCCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccccc2Cl)N(C)C)C[C@@H]1C ZINC001301918341 1066948702 /nfs/dbraw/zinc/94/87/02/1066948702.db2.gz IIXCOIFOOUYEAG-RDPSFJRHSA-N 0 3 498.075 3.377 20 0 JGADHN CC(C)(O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001302362184 1066952892 /nfs/dbraw/zinc/95/28/92/1066952892.db2.gz CTBAJBOFVUHYGT-OAHLLOKOSA-N 0 3 454.402 3.181 20 0 JGADHN CO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)N2CCC[C@@H](C)C2)C1 ZINC001302363462 1066953646 /nfs/dbraw/zinc/95/36/46/1066953646.db2.gz FTYQHABPHBUBSG-UYAOXDASSA-N 0 3 475.659 3.084 20 0 JGADHN CC(C)(O)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(C2CCOCC2)CC1 ZINC001302371435 1066959422 /nfs/dbraw/zinc/95/94/22/1066959422.db2.gz OLONMZACVOQGKS-UHFFFAOYSA-N 0 3 484.428 3.236 20 0 JGADHN CC(C)C(=O)N1CCCN(c2nnc(Cc3ccncc3)n2CCN(C)Cc2ccc(F)cc2)CC1 ZINC001302398147 1066977954 /nfs/dbraw/zinc/97/79/54/1066977954.db2.gz JXOCTWCSLOGQFP-UHFFFAOYSA-N 0 3 493.631 3.230 20 0 JGADHN CC(C)C(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 ZINC001302404761 1066986250 /nfs/dbraw/zinc/98/62/50/1066986250.db2.gz VTOMCUAGQKAXDJ-QHCPKHFHSA-N 0 3 479.604 3.011 20 0 JGADHN COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@H]3CCCO3)n2C[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC001301944144 1066995960 /nfs/dbraw/zinc/99/59/60/1066995960.db2.gz LQDNOXJORXASHM-KELGSRBJSA-N 0 3 498.672 3.108 20 0 JGADHN CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CCN(C)Cc2ccc(F)cc2)C1 ZINC001302412068 1066997141 /nfs/dbraw/zinc/99/71/41/1066997141.db2.gz RKAKSVRTNITBTR-NRFANRHFSA-N 0 3 467.593 3.285 20 0 JGADHN CC(C)C(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@H](c2cccs2)N(C)C)C1 ZINC001302417386 1067000318 /nfs/dbraw/zinc/00/03/18/1067000318.db2.gz KSQFRDCJQHGQNE-NHCUHLMSSA-N 0 3 481.670 3.369 20 0 JGADHN CC(C)C(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccccc2)N(C)C)C1 ZINC001302436606 1067031577 /nfs/dbraw/zinc/03/15/77/1067031577.db2.gz YWNHQRTWJKJPTM-QTJGBDASSA-N 0 3 482.673 3.464 20 0 JGADHN CCN1C[C@H](NC(=O)[C@H]2CCCCN2C(=O)c2ccc(Br)c(F)c2)C(C)(C)C1 ZINC001304041949 1067085227 /nfs/dbraw/zinc/08/52/27/1067085227.db2.gz AHZPXPPEXDXUCG-MSOLQXFVSA-N 0 3 454.384 3.429 20 0 JGADHN Cc1nc(CCn2c(N3CCN(CC(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)sc1C ZINC001304050981 1067093125 /nfs/dbraw/zinc/09/31/25/1067093125.db2.gz VDVRTBMSQSBSAV-XMMPIXPASA-N 0 3 476.691 3.413 20 0 JGADHN Cc1c(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](c2ccccc2)N(C)C)cnn1C ZINC001304079697 1067124421 /nfs/dbraw/zinc/12/44/21/1067124421.db2.gz PSWJMFNFEMEVNP-OZXSUGGESA-N 0 3 481.645 3.300 20 0 JGADHN CC(C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)N1CCCC1 ZINC001302515631 1067134529 /nfs/dbraw/zinc/13/45/29/1067134529.db2.gz ZPRPGOYZOGLVKP-RTBURBONSA-N 0 3 481.066 3.127 20 0 JGADHN CC(C)[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)N1CCCC1 ZINC001302529120 1067157991 /nfs/dbraw/zinc/15/79/91/1067157991.db2.gz RXZAZLBQOMFFAF-FPOVZHCZSA-N 0 3 496.077 3.254 20 0 JGADHN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(Cc2cccnc2)n1CCN1CC=CCC1 ZINC001304135234 1067173798 /nfs/dbraw/zinc/17/37/98/1067173798.db2.gz FDSDUFBLMSFWRB-UHFFFAOYSA-N 0 3 459.598 3.218 20 0 JGADHN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@H](C(N)=O)C2)n1CCN1CCCCC1 ZINC001304141552 1067183448 /nfs/dbraw/zinc/18/34/48/1067183448.db2.gz QHXMDYZXMFBCKD-OALUTQOASA-N 0 3 475.037 3.486 20 0 JGADHN CS[C@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C2CCCC2)CC1 ZINC001302548313 1067184716 /nfs/dbraw/zinc/18/47/16/1067184716.db2.gz ORVQAPSXLAKEJJ-GOSISDBHSA-N 0 3 492.715 3.012 20 0 JGADHN CS[C@@H](C)Cn1c(Cc2csc(C)n2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001302560084 1067200513 /nfs/dbraw/zinc/20/05/13/1067200513.db2.gz BMAALHWLAGKEHA-KRWDZBQOSA-N 0 3 474.704 3.183 20 0 JGADHN CS[C@H](C)Cn1c(Cc2ccccc2C)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001302560424 1067201249 /nfs/dbraw/zinc/20/12/49/1067201249.db2.gz DOWZPYWXOOQVET-IMSXRSKXSA-N 0 3 484.714 3.308 20 0 JGADHN CC(C)c1nnc(N(C)[C@@H]2CCCN(c3ccccc3)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001302567939 1067207299 /nfs/dbraw/zinc/20/72/99/1067207299.db2.gz CIFLWSYVXIFGEW-DNQXCXABSA-N 0 3 481.689 3.449 20 0 JGADHN Cc1nc(COc2ccccc2C(=O)N2CCCN(Cc3ccccc3)CCOCC2)no1 ZINC001304163230 1067210260 /nfs/dbraw/zinc/21/02/60/1067210260.db2.gz CFYUJGRCHIXWOD-UHFFFAOYSA-N 0 3 450.539 3.322 20 0 JGADHN CC(C)c1nnc(N(C)CC(=O)N(C)[C@H](C)c2ccccc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001302571785 1067211696 /nfs/dbraw/zinc/21/16/96/1067211696.db2.gz GOHZSJMCHQVGNQ-OAQYLSRUSA-N 0 3 469.678 3.083 20 0 JGADHN CC(C)c1nnc(N(C)Cc2cnn(Cc3ccccc3)c2)n1CCN1CCN(C)C(C)(C)C1 ZINC001302577121 1067214803 /nfs/dbraw/zinc/21/48/03/1067214803.db2.gz JIGFGQLXPLGHGW-UHFFFAOYSA-N 0 3 464.662 3.309 20 0 JGADHN CS[C@H](Cn1c(Cc2ccccn2)nnc1N1CCN(C[C@H]2CCOC2)CC1)C(C)(C)C ZINC001302587809 1067224665 /nfs/dbraw/zinc/22/46/65/1067224665.db2.gz GBKWYLJEJQOMRN-TZIWHRDSSA-N 0 3 458.676 3.200 20 0 JGADHN Cc1cc(C)cc(OCc2nnc(N3CCN(C(C)(C)C)CC3)n2CC2(C(N)=O)CCCC2)c1 ZINC001304181998 1067231121 /nfs/dbraw/zinc/23/11/21/1067231121.db2.gz HHHRDCDWQXJZMY-UHFFFAOYSA-N 0 3 468.646 3.440 20 0 JGADHN CSc1cc(Cn2c(N3CCN(CC(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)ccn1 ZINC001302644601 1067273144 /nfs/dbraw/zinc/27/31/44/1067273144.db2.gz CUQZMDFCXDAJKX-DEOSSOPVSA-N 0 3 474.675 3.262 20 0 JGADHN CC(C)c1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001302654369 1067281941 /nfs/dbraw/zinc/28/19/41/1067281941.db2.gz HFMWYSKHERSRPG-FQEVSTJZSA-N 0 3 488.702 3.004 20 0 JGADHN CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1Cc1ccccc1OCC(F)(F)F ZINC001302674154 1067299800 /nfs/dbraw/zinc/29/98/00/1067299800.db2.gz JSYHLGLVGHEYHI-IBGZPJMESA-N 0 3 494.562 3.134 20 0 JGADHN Cc1ccc([C@@H](C)Cn2c(N3CCN(C(=O)CN4CCCC4)CC3)nnc2C(C)(C)C)cc1 ZINC001304271487 1067306883 /nfs/dbraw/zinc/30/68/83/1067306883.db2.gz FWSVHCDDAQQBFM-NRFANRHFSA-N 0 3 452.647 3.432 20 0 JGADHN Cc1ccc([C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](c3ccco3)C2)N(C)C)cc1 ZINC001304274979 1067312390 /nfs/dbraw/zinc/31/23/90/1067312390.db2.gz OWYMQWDOZVDKQY-NRSPTQNISA-N 0 3 486.642 3.087 20 0 JGADHN CC(C)c1nnc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1C[C@@H](c1ccccc1)N(C)C ZINC001302690100 1067314833 /nfs/dbraw/zinc/31/48/33/1067314833.db2.gz PKRGIBGUHQZQEE-VWNXMTODSA-N 0 3 481.689 3.227 20 0 JGADHN Cc1ccc([C@@H](Cn2c(CN3CCCC3=O)nnc2N(C)Cc2ncc(Cl)n2C)N(C)C)cc1 ZINC001304277868 1067317049 /nfs/dbraw/zinc/31/70/49/1067317049.db2.gz HIMNMFWLJHTUEC-LJQANCHMSA-N 0 3 485.036 3.035 20 0 JGADHN Cc1ccc([C@@H](Cn2c(N3CCCOCC3)nnc2[C@]2(OC(C)C)CCOC2)N(C)C)cc1 ZINC001304278390 1067318198 /nfs/dbraw/zinc/31/81/98/1067318198.db2.gz ONEZEOHOYSARFP-RDGATRHJSA-N 0 3 457.619 3.157 20 0 JGADHN CSC[C@@H]1CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H](C)N(C)Cc1ccccc1 ZINC001302708180 1067329975 /nfs/dbraw/zinc/32/99/75/1067329975.db2.gz VRZUJCCRVFQIQA-HJNYFJLDSA-N 0 3 491.727 3.423 20 0 JGADHN Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@@H]2CCCN(C(C)C)C2)c1 ZINC001304287770 1067330526 /nfs/dbraw/zinc/33/05/26/1067330526.db2.gz KBDHIRYYJSFPEW-FGZHOGPDSA-N 0 3 489.686 3.218 20 0 JGADHN Cc1ccc(C)c(OCc2nnc(N3CCN(CC4CCOCC4)CC3)n2C[C@](C)(O)C(C)C)c1 ZINC001304290832 1067338221 /nfs/dbraw/zinc/33/82/21/1067338221.db2.gz HYEIOBDLUNIKMK-MHZLTWQESA-N 0 3 485.673 3.430 20 0 JGADHN CSCCCCCn1c(CC2CC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001302757385 1067361339 /nfs/dbraw/zinc/36/13/39/1067361339.db2.gz UIEJORIBRKSXPN-KNQAVFIVSA-N 0 3 462.708 3.143 20 0 JGADHN CSCCCCCn1c(CC2CC2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001302757389 1067361400 /nfs/dbraw/zinc/36/14/00/1067361400.db2.gz UIEJORIBRKSXPN-UGKGYDQZSA-N 0 3 462.708 3.143 20 0 JGADHN CC(C)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN(C(C)C)C2)CC1 ZINC001302760414 1067362966 /nfs/dbraw/zinc/36/29/66/1067362966.db2.gz GSAJLVPLMOXGOC-PZJWPPBQSA-N 0 3 451.681 3.173 20 0 JGADHN CC(C)[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(N(C)C)CCC2)CCS1 ZINC001302771789 1067369452 /nfs/dbraw/zinc/36/94/52/1067369452.db2.gz CTDALEJPGVJVHB-FQEVSTJZSA-N 0 3 477.700 3.411 20 0 JGADHN CC(C)[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CCS1 ZINC001302775938 1067373247 /nfs/dbraw/zinc/37/32/47/1067373247.db2.gz CFRMOFJCSDOPKR-ACRUOGEOSA-N 0 3 478.707 3.040 20 0 JGADHN CC(C)[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H](c2cccs2)N(C)C)CCS1 ZINC001302781954 1067375912 /nfs/dbraw/zinc/37/59/12/1067375912.db2.gz DTALVGXSFWBPOO-MJGOQNOKSA-N 0 3 462.689 3.343 20 0 JGADHN CC(C)[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccc(F)cc2)N(C)C)CCS1 ZINC001302784729 1067377616 /nfs/dbraw/zinc/37/76/16/1067377616.db2.gz XLXCKYKGXQQHLG-SFTDATJTSA-N 0 3 474.650 3.420 20 0 JGADHN CSCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CC(C)C)CC1 ZINC001302799103 1067388053 /nfs/dbraw/zinc/38/80/53/1067388053.db2.gz HDDGONLUPVTNHC-UHFFFAOYSA-N 0 3 479.720 3.078 20 0 JGADHN CSCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001302803365 1067391836 /nfs/dbraw/zinc/39/18/36/1067391836.db2.gz RQAIZMNZGBVEBC-UHFFFAOYSA-N 0 3 451.040 3.295 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C)[C@H]3C)n2CCCN2CCC[C@H]2C(=O)N(C)C)cc1C ZINC001304376718 1067418538 /nfs/dbraw/zinc/41/85/38/1067418538.db2.gz AGEUURHULHSEHE-WPYKKVEZSA-N 0 3 495.672 3.325 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N(C)CC(=O)NC(C)C)n2C[C@@H]2CCCCN2C2CC2)cc1C ZINC001304376642 1067418674 /nfs/dbraw/zinc/41/86/74/1067418674.db2.gz BSLIMLVGEQGNRA-QFIPXVFZSA-N 0 3 481.645 3.125 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCN(CCC(C)(C)C)CC3)n2CC(=O)NC(C)C)cc1C ZINC001304381924 1067430258 /nfs/dbraw/zinc/43/02/58/1067430258.db2.gz DSHACDOGAYGFIU-UHFFFAOYSA-N 0 3 483.661 3.230 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2CCN2CCCCC2)cc1C ZINC001304382867 1067431956 /nfs/dbraw/zinc/43/19/56/1067431956.db2.gz IRIHGWCGTINPBK-QFIPXVFZSA-N 0 3 495.672 3.326 20 0 JGADHN C[C@@H]1CN(c2nnc(C3CCC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C[C@H]1C(F)(F)F ZINC001302856493 1067439514 /nfs/dbraw/zinc/43/95/14/1067439514.db2.gz QHGDSQSZJRGJBF-NXHRZFHOSA-N 0 3 456.557 3.123 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@@H](C)N2CCC(C)CC2)cc1C ZINC001304386426 1067440915 /nfs/dbraw/zinc/44/09/15/1067440915.db2.gz JUYHWNUVFRWFBR-LSWJPFSZSA-N 0 3 468.646 3.475 20 0 JGADHN C[C@@H]1CN(Cc2ccccc2)CCN1c1nnc(C(C)(C)C)n1CCCCN1CCOCC1 ZINC001302866784 1067447888 /nfs/dbraw/zinc/44/78/88/1067447888.db2.gz QYFOKJAUIHGAAN-JOCHJYFZSA-N 0 3 454.663 3.399 20 0 JGADHN C[C@@H]1CN(C2CCOCC2)CCN1c1nnc(COc2ccccc2F)n1CC(F)(F)F ZINC001302867412 1067448350 /nfs/dbraw/zinc/44/83/50/1067448350.db2.gz VAMBEIMRNAKKRA-OAHLLOKOSA-N 0 3 457.472 3.248 20 0 JGADHN CC(C)Cc1nnc(N2CCC(CN3CCOCC3)CC2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001302892508 1067472910 /nfs/dbraw/zinc/47/29/10/1067472910.db2.gz IFJHXDGUQYVNOV-QFIPXVFZSA-N 0 3 490.693 3.425 20 0 JGADHN C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](c2ccc(F)cc2)N(C)C)C[C@H](C)O1 ZINC001302898921 1067480740 /nfs/dbraw/zinc/48/07/40/1067480740.db2.gz OVGOZGXNZVGRIL-QKLQHJQFSA-N 0 3 486.617 3.325 20 0 JGADHN C[C@@H]1CN(CCN(C)c2nnc(-c3ccc(Cl)cc3)n2CCN2CCSCC2)C[C@H](C)O1 ZINC001302901854 1067485987 /nfs/dbraw/zinc/48/59/87/1067485987.db2.gz RQTFLGAPSYAJCK-KDURUIRLSA-N 0 3 479.094 3.193 20 0 JGADHN C[C@H]1CN(C2CCOCC2)CCN1c1nnc([C@H]2CCCOC2)n1CC(C)(C)C(F)(F)F ZINC001302902107 1067486394 /nfs/dbraw/zinc/48/63/94/1067486394.db2.gz CLAJZIBIIHPSHV-IRXDYDNUSA-N 0 3 459.557 3.450 20 0 JGADHN C[C@H]1CN(C2CCOCC2)CCN1c1nnc(CC(C)(C)C)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001302902973 1067488072 /nfs/dbraw/zinc/48/80/72/1067488072.db2.gz SCUIELZLXUNHPN-IBGZPJMESA-N 0 3 490.693 3.423 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(C(C)(C)C)CC3)n2CCN2CCOCC2(C)C)cc1 ZINC001304418102 1067491687 /nfs/dbraw/zinc/49/16/87/1067491687.db2.gz LGDYJWVAXHDASK-UHFFFAOYSA-N 0 3 470.662 3.197 20 0 JGADHN CC(C)Cc1nnc(N2CCCO[C@H](c3ccccc3)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001302937062 1067510301 /nfs/dbraw/zinc/51/03/01/1067510301.db2.gz HYWREIKTLPNODG-RPWUZVMVSA-N 0 3 482.673 3.387 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1Cc1ccccc1OC(C)C ZINC001302945279 1067518099 /nfs/dbraw/zinc/51/80/99/1067518099.db2.gz ZLTCDARQTTZXFV-QFIPXVFZSA-N 0 3 468.646 3.055 20 0 JGADHN CC(C)Cc1nnc(N2CCN([C@H](C)c3nc(C(C)C)no3)CC2)n1CCN1CC=CCC1 ZINC001302946306 1067519530 /nfs/dbraw/zinc/51/95/30/1067519530.db2.gz BCPGDRAJXHEGJW-HXUWFJFHSA-N 0 3 456.639 3.128 20 0 JGADHN CC(C)Cc1nnc(N2CCN(CC(C)C)C(=O)[C@H]2C)n1CCCN1CCN(c2ccccc2)CC1 ZINC001302959162 1067531189 /nfs/dbraw/zinc/53/11/89/1067531189.db2.gz PGOFDYIOCRZRPA-XMMPIXPASA-N 0 3 495.716 3.382 20 0 JGADHN CC(C)Cc1nnc(N2CCN(Cc3ccccc3)C[C@@H]2C)n1CCN1CCOCC1(C)C ZINC001302961318 1067532755 /nfs/dbraw/zinc/53/27/55/1067532755.db2.gz KEESQMSXBHJTEL-QFIPXVFZSA-N 0 3 454.663 3.298 20 0 JGADHN CC(C)Cc1nnc(N2CCN(CC3CCOCC3)CC2)n1Cc1nnc(C(C)(C)C)s1 ZINC001302964389 1067534572 /nfs/dbraw/zinc/53/45/72/1067534572.db2.gz DDWXZMFHIHLCOO-UHFFFAOYSA-N 0 3 461.680 3.223 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C[C@H]3CCCO3)CC2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001302964802 1067535058 /nfs/dbraw/zinc/53/50/58/1067535058.db2.gz JLSKXIVTPMUHIS-PKTZIBPZSA-N 0 3 458.626 3.220 20 0 JGADHN Cc1cccc(-c2nnc(N(C)CC(=O)NC(C)C)n2C[C@@H](c2ccc(F)cc2)N(C)C)n1 ZINC001304453648 1067535124 /nfs/dbraw/zinc/53/51/24/1067535124.db2.gz UBZGXWADEKPOIQ-NRFANRHFSA-N 0 3 453.566 3.051 20 0 JGADHN Cc1cccc(-c2nnc(N(C)CC(=O)NC(C)C)n2C[C@H](c2ccc(F)cc2)N(C)C)n1 ZINC001304453649 1067535186 /nfs/dbraw/zinc/53/51/86/1067535186.db2.gz UBZGXWADEKPOIQ-OAQYLSRUSA-N 0 3 453.566 3.051 20 0 JGADHN CC(C)CC[C@](C)(O)Cn1c(Cc2ccsc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001303018251 1067571508 /nfs/dbraw/zinc/57/15/08/1067571508.db2.gz ZBLRQLPBWJQXTJ-DEOSSOPVSA-N 0 3 461.676 3.419 20 0 JGADHN O=C(C1CCN(c2nnc(Cc3ccccn3)n2CCN2CCCCCC2)CC1)C(F)(F)F ZINC001303061252 1067596878 /nfs/dbraw/zinc/59/68/78/1067596878.db2.gz FLWFCNIUPZRUKA-UHFFFAOYSA-N 0 3 464.536 3.488 20 0 JGADHN CC(C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C2CCOCC2)CC1 ZINC001303067758 1067602186 /nfs/dbraw/zinc/60/21/86/1067602186.db2.gz HHHYCAXSKLBQAR-UHFFFAOYSA-N 0 3 465.440 3.393 20 0 JGADHN CC(C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001303081615 1067615217 /nfs/dbraw/zinc/61/52/17/1067615217.db2.gz LYGFBHDHJPAOGH-OAQYLSRUSA-N 0 3 459.038 3.311 20 0 JGADHN Cc1ccccc1CN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccsc2)N(C)C)CC1 ZINC001304571339 1067639443 /nfs/dbraw/zinc/63/94/43/1067639443.db2.gz ZCZJCBSVTPJTKG-QHCPKHFHSA-N 0 3 495.697 3.411 20 0 JGADHN Cc1ccccc1OCCCN(C)c1nnc(C(=O)N2CCCC2)n1CCN1CCC[C@H]1C ZINC001304575188 1067643777 /nfs/dbraw/zinc/64/37/77/1067643777.db2.gz WSLPQUQSAMTTKF-OAQYLSRUSA-N 0 3 454.619 3.212 20 0 JGADHN Cc1ccccc1O[C@H](C)Cn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1C(C)(C)C ZINC001304575274 1067643793 /nfs/dbraw/zinc/64/37/93/1067643793.db2.gz YUQSZCNTKFQEQR-NHCUHLMSSA-N 0 3 468.646 3.094 20 0 JGADHN CC(C)CCOC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)C2CCCC2)CC1 ZINC001303110410 1067648638 /nfs/dbraw/zinc/64/86/38/1067648638.db2.gz VGWRWEQDCUQXOU-HXUWFJFHSA-N 0 3 481.707 3.086 20 0 JGADHN Cc1cccnc1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001304580009 1067649058 /nfs/dbraw/zinc/64/90/58/1067649058.db2.gz VLCOVWDTRPQOFP-UHFFFAOYSA-N 0 3 468.627 3.021 20 0 JGADHN Cc1ccccc1OCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001304581046 1067650360 /nfs/dbraw/zinc/65/03/60/1067650360.db2.gz NIXKOSSERQBLBN-HXUWFJFHSA-N 0 3 454.619 3.175 20 0 JGADHN CC(C)CCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001303123540 1067664124 /nfs/dbraw/zinc/66/41/24/1067664124.db2.gz KKAOKVJQPDMDDX-UHFFFAOYSA-N 0 3 453.635 3.500 20 0 JGADHN Cc1csc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(N(C)C)CCSC2)c1 ZINC001304626151 1067696605 /nfs/dbraw/zinc/69/66/05/1067696605.db2.gz NPDLJRMMXMBOBW-JOCHJYFZSA-N 0 3 471.656 3.369 20 0 JGADHN CC(C)CN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCSc2ccccc2)CC1 ZINC001303178009 1067710582 /nfs/dbraw/zinc/71/05/82/1067710582.db2.gz IKXUTGTWOKHZQC-UHFFFAOYSA-N 0 3 456.660 3.475 20 0 JGADHN CC(C)CN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2cccc(F)c2F)CC1 ZINC001303178291 1067711084 /nfs/dbraw/zinc/71/10/84/1067711084.db2.gz KUKFDVXLSASYPS-UHFFFAOYSA-N 0 3 469.540 3.224 20 0 JGADHN CC(C)CN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(F)cc2F)CC1 ZINC001303178593 1067711976 /nfs/dbraw/zinc/71/19/76/1067711976.db2.gz PZHCMPKUVDFHNZ-UHFFFAOYSA-N 0 3 455.513 3.030 20 0 JGADHN CC(C)CN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccsc2Br)CC1 ZINC001303178973 1067712786 /nfs/dbraw/zinc/71/27/86/1067712786.db2.gz ZXMCWPKDNUUZOC-UHFFFAOYSA-N 0 3 469.453 3.067 20 0 JGADHN CC(C)CN1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccc2F)C1 ZINC001303179074 1067712886 /nfs/dbraw/zinc/71/28/86/1067712886.db2.gz PYXMKPLTXRBTSY-PZJWPPBQSA-N 0 3 477.650 3.324 20 0 JGADHN CC(C)CN1CCC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001303179892 1067713677 /nfs/dbraw/zinc/71/36/77/1067713677.db2.gz ZTYHCTRCJZSSDK-FQEVSTJZSA-N 0 3 480.078 3.125 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCC(=O)N2CCOCC2)CC1 ZINC001303182917 1067715350 /nfs/dbraw/zinc/71/53/50/1067715350.db2.gz GXAUWFOFSCDOAX-UHFFFAOYSA-N 0 3 482.673 3.270 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 ZINC001303184154 1067717278 /nfs/dbraw/zinc/71/72/78/1067717278.db2.gz IYDWYLAXZNOSLI-BVYCBKJFSA-N 0 3 478.037 3.389 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(F)(F)Br)CC1 ZINC001303184415 1067717755 /nfs/dbraw/zinc/71/77/55/1067717755.db2.gz MBHVSYYOBAMOBC-GOSISDBHSA-N 0 3 480.398 3.084 20 0 JGADHN Cc1nc(Cc2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@H](c2cccs2)N(C)C)cs1 ZINC001304650456 1067718330 /nfs/dbraw/zinc/71/83/30/1067718330.db2.gz YRDMYPRKHVVEDH-QGZVFWFLSA-N 0 3 475.688 3.349 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@]2(C)CN(C)C2=O)CC1 ZINC001303184824 1067718966 /nfs/dbraw/zinc/71/89/66/1067718966.db2.gz WGJDOMUUWKFXMJ-HXUWFJFHSA-N 0 3 481.464 3.025 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2cccs2)N(C)C)[C@@H](C)C1=O ZINC001303188041 1067722083 /nfs/dbraw/zinc/72/20/83/1067722083.db2.gz BKMKVPRBFLHPSZ-HKUYNNGSSA-N 0 3 455.632 3.331 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 ZINC001303188939 1067723414 /nfs/dbraw/zinc/72/34/14/1067723414.db2.gz OFAKWMSPGYUQMA-UHFFFAOYSA-N 0 3 462.602 3.260 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3cnccn3)n2CCCN(C)c2ccccc2F)CC1 ZINC001303189284 1067723538 /nfs/dbraw/zinc/72/35/38/1067723538.db2.gz LUKCNPZSUGWQSI-UHFFFAOYSA-N 0 3 452.582 3.179 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3cccnc3)n2CCNc2nccc(C(F)(F)F)n2)CC1 ZINC001303190159 1067724518 /nfs/dbraw/zinc/72/45/18/1067724518.db2.gz ZAOYZEQLAZRIHW-UHFFFAOYSA-N 0 3 475.523 3.039 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccc(F)cc2)N(C)C)[C@@H](C)C1=O ZINC001303191541 1067725754 /nfs/dbraw/zinc/72/57/54/1067725754.db2.gz CQQVOGAITMNPAS-WPYKKVEZSA-N 0 3 486.636 3.307 20 0 JGADHN O=C(CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001304659429 1067727438 /nfs/dbraw/zinc/72/74/38/1067727438.db2.gz GUSPVOJMNNLHMT-QZTJIDSGSA-N 0 3 453.370 3.424 20 0 JGADHN O=C(CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001304659430 1067727501 /nfs/dbraw/zinc/72/75/01/1067727501.db2.gz GUSPVOJMNNLHMT-ROUUACIJSA-N 0 3 453.370 3.424 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(C)(F)F)CC1 ZINC001303195347 1067728447 /nfs/dbraw/zinc/72/84/47/1067728447.db2.gz AMKPMUXPHZPPJE-SFHVURJKSA-N 0 3 486.608 3.410 20 0 JGADHN CC(C)CN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C(C)C)N2CCOCC2)CC1 ZINC001303197327 1067731851 /nfs/dbraw/zinc/73/18/51/1067731851.db2.gz PCYFWQCZVYZPNJ-DEOSSOPVSA-N 0 3 490.643 3.282 20 0 JGADHN CC(C)CN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C(C)C)N2CCOCC2)CC1 ZINC001303197328 1067732007 /nfs/dbraw/zinc/73/20/07/1067732007.db2.gz PCYFWQCZVYZPNJ-XMMPIXPASA-N 0 3 490.643 3.282 20 0 JGADHN CC(C)CN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CC(=O)NC(C)C)CC1 ZINC001303198837 1067734621 /nfs/dbraw/zinc/73/46/21/1067734621.db2.gz MWVPPVMUYBLPCN-UHFFFAOYSA-N 0 3 483.444 3.467 20 0 JGADHN Cc1nc(Cc2nnc(N3CCN(CC(C)C)C(=O)C3)n2CCN(C)Cc2ccc(F)cc2)cs1 ZINC001304670143 1067738809 /nfs/dbraw/zinc/73/88/09/1067738809.db2.gz LGQSPPFVEIXLTC-UHFFFAOYSA-N 0 3 499.660 3.210 20 0 JGADHN Cc1nc(Cc2nnc(N3CCN(CCC(C)(C)C)CC3)n2CCC(=O)NC(C)C)cs1 ZINC001304674527 1067745036 /nfs/dbraw/zinc/74/50/36/1067745036.db2.gz QQWQKHGKSQRVNF-UHFFFAOYSA-N 0 3 461.680 3.107 20 0 JGADHN Cc1nc(C[C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@H](C)N(C)Cc3ccccc3)C2)no1 ZINC001304676999 1067748980 /nfs/dbraw/zinc/74/89/80/1067748980.db2.gz NGJQHLBPQGIJAR-UGKGYDQZSA-N 0 3 494.644 3.087 20 0 JGADHN Cc1nc(CCn2c(N3CCN(CC(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)cs1 ZINC001304685476 1067758045 /nfs/dbraw/zinc/75/80/45/1067758045.db2.gz FPFLCHWVRHMFAO-HSZRJFAPSA-N 0 3 462.664 3.104 20 0 JGADHN COC1(c2nccn2C)CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC001303254528 1067779707 /nfs/dbraw/zinc/77/97/07/1067779707.db2.gz ZUMOGEQEWOJZJW-NRFANRHFSA-N 0 3 450.505 3.339 20 0 JGADHN CC(C)N(C)CCn1c(-c2cc3ccccc3o2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001303271329 1067800111 /nfs/dbraw/zinc/80/01/11/1067800111.db2.gz QIDGROMIMOHNLO-IBGZPJMESA-N 0 3 459.616 3.435 20 0 JGADHN CC(C)N(C)CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001303272036 1067800998 /nfs/dbraw/zinc/80/09/98/1067800998.db2.gz XTCKYHWZJKCPNT-MSOLQXFVSA-N 0 3 460.648 3.035 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)n1 ZINC001304739703 1067813987 /nfs/dbraw/zinc/81/39/87/1067813987.db2.gz JSNNZINODKMFTR-WWPVKYPJSA-N 0 3 484.693 3.097 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCSC3)n2CCN(C)Cc2ccc(F)cc2)n1 ZINC001304740683 1067816096 /nfs/dbraw/zinc/81/60/96/1067816096.db2.gz QTACGYDXUYGIQF-OAQYLSRUSA-N 0 3 457.623 3.353 20 0 JGADHN CC(C)N(CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)C(C)C ZINC001303297672 1067821947 /nfs/dbraw/zinc/82/19/47/1067821947.db2.gz UPTFZZSHFVGCTO-XMMPIXPASA-N 0 3 495.640 3.281 20 0 JGADHN CC(C)N1CCC[C@H](Cn2c(Cc3ccsc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001303304641 1067832217 /nfs/dbraw/zinc/83/22/17/1067832217.db2.gz IXEHKJNMMZLFOC-VQTJNVASSA-N 0 3 465.689 3.064 20 0 JGADHN CC(C)N1CCC[C@@H](Cn2c(Cc3ccsc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001303304642 1067832456 /nfs/dbraw/zinc/83/24/56/1067832456.db2.gz IXEHKJNMMZLFOC-WOJBJXKFSA-N 0 3 465.689 3.064 20 0 JGADHN CC(C)N1CCC[C@H](Cn2c(C3CCCC3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001303305961 1067834180 /nfs/dbraw/zinc/83/41/80/1067834180.db2.gz XBBFYPXHNYIWAK-PZJWPPBQSA-N 0 3 451.681 3.460 20 0 JGADHN CC(C)N1CCN([C@@H]2CCN(c3nnc(C4CCCC4)n3CCCNC(=O)OC(C)(C)C)C2)CC1 ZINC001303318246 1067849039 /nfs/dbraw/zinc/84/90/39/1067849039.db2.gz MJDHLYKSMAXADK-JOCHJYFZSA-N 0 3 489.709 3.455 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N3CCN(CC(C)C)CC3)n2C[C@H](C)CNC(=O)OC(C)(C)C)n1 ZINC001304761767 1067849184 /nfs/dbraw/zinc/84/91/84/1067849184.db2.gz ZJEDSMHAFIXFFA-LJQANCHMSA-N 0 3 488.681 3.079 20 0 JGADHN CC(C)N1CCN([C@@H]2CCN(c3nnc(Cc4cccnc4)n3CCSC(F)(F)F)C2)CC1 ZINC001303318355 1067849200 /nfs/dbraw/zinc/84/92/00/1067849200.db2.gz PHFKASPEJJQYCK-LJQANCHMSA-N 0 3 483.608 3.122 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N3CCN(CC(C)C)CC3)n2C[C@H](C)Oc2ccccc2)n1 ZINC001304761764 1067849372 /nfs/dbraw/zinc/84/93/72/1067849372.db2.gz ZHQCIRBVCYTAOW-QFIPXVFZSA-N 0 3 451.619 3.385 20 0 JGADHN CC(C)N1CCN([C@H]2CCN(c3nnc([C@@H]4CCCOC4)n3CC(C)(C)C(F)(F)F)C2)CC1 ZINC001303318569 1067850031 /nfs/dbraw/zinc/85/00/31/1067850031.db2.gz VANSLBWHDZVGNB-MOPGFXCFSA-N 0 3 472.600 3.365 20 0 JGADHN CC(C)N1CCN([C@H]2CCN(c3nnc([C@H]4CCCCO4)n3CCSC(F)(F)F)C2)CC1 ZINC001303318596 1067850153 /nfs/dbraw/zinc/85/01/53/1067850153.db2.gz VQIFNNVWZSKWRB-ZWKOTPCHSA-N 0 3 476.613 3.377 20 0 JGADHN CC(C)N1CCN([C@@H]2CCN(c3nnc([C@H]4CCCCO4)n3CCSC(F)(F)F)C2)CC1 ZINC001303318594 1067850306 /nfs/dbraw/zinc/85/03/06/1067850306.db2.gz VQIFNNVWZSKWRB-QZTJIDSGSA-N 0 3 476.613 3.377 20 0 JGADHN CC(C)N1CCN([C@H]2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCN(CC(F)(F)F)C3)C2)CC1 ZINC001303318687 1067850804 /nfs/dbraw/zinc/85/08/04/1067850804.db2.gz YIYMBSLRDANRGO-SFTDATJTSA-N 0 3 499.670 3.356 20 0 JGADHN Cc1nnc(N(C)Cc2cccc(C(F)(F)F)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001304796510 1067884487 /nfs/dbraw/zinc/88/44/87/1067884487.db2.gz VDNCQAZSPBWVFO-LJQANCHMSA-N 0 3 452.525 3.184 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1CCN1CCC[C@H]1C ZINC001303359526 1067887290 /nfs/dbraw/zinc/88/72/90/1067887290.db2.gz YDTSRBFBEDYBTB-CYBMUJFWSA-N 0 3 470.462 3.222 20 0 JGADHN Cc1nnc(N2CCN(C(=O)c3ccccc3[O-])CC2)n1CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001304849523 1067903190 /nfs/dbraw/zinc/90/31/90/1067903190.db2.gz ZFHWQIOMTPIMFP-PMACEKPBSA-N 0 3 454.619 3.013 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCc3c(F)ccc(F)c3C2)n1C[C@@H]1N(C)CCCC1(C)C ZINC001303379743 1067909394 /nfs/dbraw/zinc/90/93/94/1067909394.db2.gz PYUTZJCCTTXPBI-FQEVSTJZSA-N 0 3 460.573 3.378 20 0 JGADHN Cc1nnc(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001304867522 1067912304 /nfs/dbraw/zinc/91/23/04/1067912304.db2.gz QZSCLIZHHYBQRF-RTWAWAEBSA-N 0 3 494.562 3.126 20 0 JGADHN Cc1noc([C@@H](C)N2CCN(c3nnc(CC(C)C)n3C[C@H](c3cccs3)N(C)C)CC2)n1 ZINC001304875000 1067917640 /nfs/dbraw/zinc/91/76/40/1067917640.db2.gz KYELNMRBMSRAOP-IEBWSBKVSA-N 0 3 472.663 3.416 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCCN(Cc3ccccc3)CC2)n1CC1C[C@H](C)O[C@@H](C)C1 ZINC001303397397 1067926122 /nfs/dbraw/zinc/92/61/22/1067926122.db2.gz HZIOIWNKGKJFRD-SFTDATJTSA-N 0 3 468.646 3.332 20 0 JGADHN Cc1noc(C)c1CN(C)c1nnc(Cc2ccc(F)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001304885410 1067929378 /nfs/dbraw/zinc/92/93/78/1067929378.db2.gz XLMCXYYSCADPIF-HSZRJFAPSA-N 0 3 497.619 3.192 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3F)C[C@@H]2C)n1CCN1CCCC(C)(C)C1 ZINC001303404585 1067932989 /nfs/dbraw/zinc/93/29/89/1067932989.db2.gz WXNJXSVBTKDQIY-FQEVSTJZSA-N 0 3 485.652 3.393 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCN(CC3CCOCC3)CC2)n1CC(C)(C)c1cccc(F)c1 ZINC001303409492 1067936020 /nfs/dbraw/zinc/93/60/20/1067936020.db2.gz IERRPLCOSDPHKT-UHFFFAOYSA-N 0 3 486.636 3.082 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCN(CC3CCOCC3)CC2)n1CCOc1ccccc1C(C)C ZINC001303409717 1067936117 /nfs/dbraw/zinc/93/61/17/1067936117.db2.gz JUCQUDRCBDFLJF-UHFFFAOYSA-N 0 3 498.672 3.167 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCN(CC3CCCCC3)CC2)n1CCSCC(F)(F)F ZINC001303409411 1067936163 /nfs/dbraw/zinc/93/61/63/1067936163.db2.gz GVHTUVBHTRGQOJ-UHFFFAOYSA-N 0 3 476.613 3.414 20 0 JGADHN Cc1noc(CCCn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCN(CC(C)C)CC2)n1 ZINC001304891933 1067936454 /nfs/dbraw/zinc/93/64/54/1067936454.db2.gz JMKITHJDUWOVBP-UHFFFAOYSA-N 0 3 480.617 3.249 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCO[C@H](c3ccc(F)cc3)C2)n1CCN1CCCC(C)(C)C1 ZINC001303415369 1067943114 /nfs/dbraw/zinc/94/31/14/1067943114.db2.gz WDUPIGBRHQCVHX-NRFANRHFSA-N 0 3 472.609 3.255 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCO[C@H](CCc3ccccc3)C2)n1CCN1CCCC(C)(C)C1 ZINC001303416177 1067944036 /nfs/dbraw/zinc/94/40/36/1067944036.db2.gz MIDFQBFNTYLSGG-HSZRJFAPSA-N 0 3 482.673 3.376 20 0 JGADHN C[C@H]1C(=O)N(C)CCN1c1nnc(CC(C)(C)C)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001304907472 1067950862 /nfs/dbraw/zinc/95/08/62/1067950862.db2.gz KWFODSQFMJEUDG-IBGZPJMESA-N 0 3 452.647 3.371 20 0 JGADHN C[C@@H]1C[C@H](C)CN(C(C)(C)Cn2c(CC3CC3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001304909124 1067952578 /nfs/dbraw/zinc/95/25/78/1067952578.db2.gz AYRBHMUHKAKZDW-HDICACEKSA-N 0 3 451.681 3.001 20 0 JGADHN C[C@@H]1C[C@@H](C)CN(C(C)(C)Cn2c(CC3CC3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001304909126 1067952585 /nfs/dbraw/zinc/95/25/85/1067952585.db2.gz AYRBHMUHKAKZDW-QZTJIDSGSA-N 0 3 451.681 3.001 20 0 JGADHN C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2ccc(F)cc2)n1C[C@@H](c1cccs1)N(C)C ZINC001304911593 1067955289 /nfs/dbraw/zinc/95/52/89/1067955289.db2.gz MIHHUPAUQYNDML-APWZRJJASA-N 0 3 456.591 3.039 20 0 JGADHN C[C@@H]1c2cc(F)cc(F)c2CCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN(C)C ZINC001304911623 1067955380 /nfs/dbraw/zinc/95/53/80/1067955380.db2.gz KXBLCKYRJYXGIH-CVEARBPZSA-N 0 3 481.613 3.170 20 0 JGADHN CC(C)NC(=O)CN(C)c1nnc(COc2ccc(Br)cc2)n1CCN1CCCCC1 ZINC001303443278 1067965115 /nfs/dbraw/zinc/96/51/15/1067965115.db2.gz JQJYKWFIOUFTAB-UHFFFAOYSA-N 0 3 493.450 3.066 20 0 JGADHN C[C@@H]1C[C@@H](C)CN(CCCn2c(CCc3ccccc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001304926676 1067971263 /nfs/dbraw/zinc/97/12/63/1067971263.db2.gz GTSBHBQRKYWBPN-XPNTWCBSSA-N 0 3 473.687 3.055 20 0 JGADHN C[C@@H]1C[C@H](C)CN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@H](C)CC(C)(C)C2)C1 ZINC001304928107 1067975206 /nfs/dbraw/zinc/97/52/06/1067975206.db2.gz MHGXMBKJLLGISK-PLACYPQZSA-N 0 3 465.708 3.421 20 0 JGADHN C[C@H]1CC(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCN(C(C)(C)C)CC2)C[C@H](C)O1 ZINC001304936057 1067984819 /nfs/dbraw/zinc/98/48/19/1067984819.db2.gz UEXQIWWNJWRBAY-OALUTQOASA-N 0 3 489.686 3.473 20 0 JGADHN CC1CCC(N(C)c2nnc([C@@H]3CCCCO3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001304973967 1068014071 /nfs/dbraw/zinc/01/40/71/1068014071.db2.gz DDKJRZYLASVINV-UJKMTWAASA-N 0 3 460.667 3.477 20 0 JGADHN CC1CCC(N2CCN(c3nnc([C@@H]4CCCCO4)n3CCCCCS(C)(=O)=O)CC2)CC1 ZINC001304980418 1068019468 /nfs/dbraw/zinc/01/94/68/1068019468.db2.gz LPMDOAFENSCCKD-HRTMPFAESA-N 0 3 481.707 3.435 20 0 JGADHN C[C@@H]1CCC[C@](Cn2c(CC3CC3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)(N(C)C)C1 ZINC001304983482 1068025495 /nfs/dbraw/zinc/02/54/95/1068025495.db2.gz DYAKSHXKQYPXOT-RFWXGWTQSA-N 0 3 451.681 3.145 20 0 JGADHN C[C@@H]1CCC[C@](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@H](C)[C@H](C)C2)(N(C)C)C1 ZINC001304983752 1068026123 /nfs/dbraw/zinc/02/61/23/1068026123.db2.gz FMBFLDCNZYIYFV-ZFVCPDAYSA-N 0 3 451.681 3.173 20 0 JGADHN C[C@@H]1CCC[C@](Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)(N(C)C)C1 ZINC001304988684 1068031162 /nfs/dbraw/zinc/03/11/62/1068031162.db2.gz QFNNKBCMSGSLNI-PWHSHALESA-N 0 3 453.697 3.391 20 0 JGADHN CC(C)O[C@@]1(c2nnc(N3CCC[C@@H](C(C)C)C3)n2CCN2CCN(C)C(C)(C)C2)CCOC1 ZINC001303502265 1068031631 /nfs/dbraw/zinc/03/16/31/1068031631.db2.gz MDZVWGTYBJVEMF-GJZUVCINSA-N 0 3 476.710 3.217 20 0 JGADHN CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@H](c2ccccc2)N(C)C)CCOC1 ZINC001303507308 1068041537 /nfs/dbraw/zinc/04/15/37/1068041537.db2.gz UIAVXWLZOHWNHM-TXTKFYIRSA-N 0 3 497.562 3.389 20 0 JGADHN C[C@@H]1CCCCN1CCCn1c(-c2ccccc2Cl)nnc1N(C)CCS(C)(=O)=O ZINC001305014090 1068054920 /nfs/dbraw/zinc/05/49/20/1068054920.db2.gz DKADIQVUXOAWBU-QGZVFWFLSA-N 0 3 454.040 3.344 20 0 JGADHN C[C@@H]1CCCCN1C[C@@H]1CCCN(c2nnc(Cc3ccccc3F)n2CCS(C)(=O)=O)C1 ZINC001305013996 1068055046 /nfs/dbraw/zinc/05/50/46/1068055046.db2.gz OWBQZWJGDONGJU-UXHICEINSA-N 0 3 477.650 3.143 20 0 JGADHN C[C@@H]1CCCCN1C[C@@H]1CCCN(c2nnc(Cc3ccsc3)n2CCS(C)(=O)=O)C1 ZINC001305014335 1068055646 /nfs/dbraw/zinc/05/56/46/1068055646.db2.gz RLVFSYDRNIJXBF-QUCCMNQESA-N 0 3 465.689 3.066 20 0 JGADHN CC(C)OC[C@@H]1CN(c2nnc(C(C)(C)C)n2C[C@H]2CN(Cc3ccccc3)CCCO2)CCO1 ZINC001303531959 1068061246 /nfs/dbraw/zinc/06/12/46/1068061246.db2.gz UVPIBOZXKZWJCP-RPWUZVMVSA-N 0 3 485.673 3.497 20 0 JGADHN C[C@H]1CCCCN1CCCn1c(-c2cccc(Br)c2)nnc1N1CCS(=O)(=O)CC1 ZINC001305019729 1068066278 /nfs/dbraw/zinc/06/62/78/1068066278.db2.gz RPNMLWZRLMEPBV-KRWDZBQOSA-N 0 3 496.475 3.207 20 0 JGADHN C[C@H]1CCCN(C(C)(C)Cn2c(Cc3ccsc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001305019898 1068066640 /nfs/dbraw/zinc/06/66/40/1068066640.db2.gz OBDGFIHWHSYGHW-PKOBYXMFSA-N 0 3 465.689 3.064 20 0 JGADHN C[C@@H]1CCCN(C(C)(C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCCS(C)(=O)=O)C1 ZINC001305022986 1068074771 /nfs/dbraw/zinc/07/47/71/1068074771.db2.gz OQIUBIXEKLCHHJ-QGZVFWFLSA-N 0 3 483.082 3.375 20 0 JGADHN CC(C)OCCCn1c(Cc2ccsc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001303552704 1068078250 /nfs/dbraw/zinc/07/82/50/1068078250.db2.gz WFGZRUPLVWTMHY-JOCHJYFZSA-N 0 3 460.692 3.350 20 0 JGADHN CC(C)OCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001303552549 1068078328 /nfs/dbraw/zinc/07/83/28/1068078328.db2.gz UOWHKZZKSJXBBJ-JOCHJYFZSA-N 0 3 489.064 3.080 20 0 JGADHN CC(C)OCCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN2CCSCC2)CC1 ZINC001303566770 1068089688 /nfs/dbraw/zinc/08/96/88/1068089688.db2.gz KJKNAYGTYNQUMM-UHFFFAOYSA-N 0 3 479.094 3.194 20 0 JGADHN CC(C)NC(=O)c1nnc(N2C[C@H](C)O[C@@H](c3ccccc3)C2)n1CCN1CCC[C@@H](C)C1 ZINC001305042020 1068097010 /nfs/dbraw/zinc/09/70/10/1068097010.db2.gz HEEKFOFFRRNASK-RZUBCFFCSA-N 0 3 454.619 3.115 20 0 JGADHN CC(C)SCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001303575562 1068100697 /nfs/dbraw/zinc/10/06/97/1068100697.db2.gz YNOXJYZYQKACLE-UHFFFAOYSA-N 0 3 494.731 3.258 20 0 JGADHN CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccc([S@](C)=O)cc2)n1CCN1CCC[C@@H](C)C1 ZINC001305044260 1068100770 /nfs/dbraw/zinc/10/07/70/1068100770.db2.gz YRKSHPUXYGAPEL-OKZYMOFSSA-N 0 3 474.675 3.083 20 0 JGADHN C[C@@H]1CCCN1CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cccc(Br)c1 ZINC001305059408 1068123042 /nfs/dbraw/zinc/12/30/42/1068123042.db2.gz MFWOQNNHVLMDJX-QGZVFWFLSA-N 0 3 475.435 3.397 20 0 JGADHN C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(F)(F)F)C1)N1CCC(C)CC1 ZINC001305063208 1068131362 /nfs/dbraw/zinc/13/13/62/1068131362.db2.gz FPFKWXYOAPSHAC-MSOLQXFVSA-N 0 3 456.557 3.413 20 0 JGADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)CC2)n1C[C@@H](c1cccs1)N1CCCC1 ZINC001305070990 1068144541 /nfs/dbraw/zinc/14/45/41/1068144541.db2.gz QYJZRAOIBSYHMK-ROUUACIJSA-N 0 3 466.677 3.023 20 0 JGADHN CN(Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001303614536 1068148700 /nfs/dbraw/zinc/14/87/00/1068148700.db2.gz PSZHARBSXIZXAH-IRXDYDNUSA-N 0 3 453.484 3.413 20 0 JGADHN C[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H](c2cccs2)N(C)C)C1 ZINC001305079283 1068152946 /nfs/dbraw/zinc/15/29/46/1068152946.db2.gz LMWYTRPYKAARBL-PXNSSMCTSA-N 0 3 488.683 3.406 20 0 JGADHN C[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H](c2cccs2)N(C)C)C1 ZINC001305079286 1068152954 /nfs/dbraw/zinc/15/29/54/1068152954.db2.gz LMWYTRPYKAARBL-YLJYHZDGSA-N 0 3 488.683 3.406 20 0 JGADHN CC1CCN(CCCn2c(Cc3ccsc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC001305103409 1068170544 /nfs/dbraw/zinc/17/05/44/1068170544.db2.gz IUDDKWMTZSURRN-FQEVSTJZSA-N 0 3 465.689 3.066 20 0 JGADHN C[C@@H]1CN(C(C)(C)Cn2c(N3CCC[C@@H](CN4CCOCC4)C3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001305112212 1068185996 /nfs/dbraw/zinc/18/59/96/1068185996.db2.gz KHSIHIKOMMXHPV-BDTNDASRSA-N 0 3 476.710 3.012 20 0 JGADHN C[C@@H](CCn1c(-c2cccc(Br)c2)nnc1N(C)CCS(C)(=O)=O)N1CCCCC1 ZINC001303662965 1068194009 /nfs/dbraw/zinc/19/40/09/1068194009.db2.gz JEHVYLFQBYBXMH-KRWDZBQOSA-N 0 3 498.491 3.453 20 0 JGADHN C[C@@H](CCn1c(-c2cnccn2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)N(C)Cc1ccccc1 ZINC001303666026 1068199430 /nfs/dbraw/zinc/19/94/30/1068199430.db2.gz WELSZPYATWIAIM-UNMCSNQZSA-N 0 3 497.669 3.049 20 0 JGADHN C[C@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccccc1F)N1CCCCC1 ZINC001303667075 1068201533 /nfs/dbraw/zinc/20/15/33/1068201533.db2.gz FVTXCZJQAXXCGV-WOJBJXKFSA-N 0 3 493.649 3.099 20 0 JGADHN C[C@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)C(C)(C)C1)N1CCCCC1 ZINC001303668823 1068203443 /nfs/dbraw/zinc/20/34/43/1068203443.db2.gz QELKXOKZNPMOJA-VAMGGRTRSA-N 0 3 451.681 3.317 20 0 JGADHN C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001303673183 1068209958 /nfs/dbraw/zinc/20/99/58/1068209958.db2.gz ZNLHZYUVXYEOSQ-SFHVURJKSA-N 0 3 474.654 3.102 20 0 JGADHN C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(Cc2ccncc2)nnc1N1CCN(CC2CC2)CC1 ZINC001303675483 1068214560 /nfs/dbraw/zinc/21/45/60/1068214560.db2.gz UCSWWDCNYIGPEU-HXUWFJFHSA-N 0 3 483.661 3.299 20 0 JGADHN C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)(C)C)CC1)Oc1cccc(F)c1 ZINC001303683705 1068221295 /nfs/dbraw/zinc/22/12/95/1068221295.db2.gz DIQACIWLAJCDLV-GOSISDBHSA-N 0 3 458.582 3.041 20 0 JGADHN C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CCCC2)CC1)N(C)C(=O)OC(C)(C)C ZINC001303716861 1068264626 /nfs/dbraw/zinc/26/46/26/1068264626.db2.gz JHYJGOVTMALYSZ-WOJBJXKFSA-N 0 3 476.666 3.492 20 0 JGADHN C[C@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2cccs2)N(C)C)CCN1CC(F)(F)F ZINC001305165161 1068275468 /nfs/dbraw/zinc/27/54/68/1068275468.db2.gz YOQZFSGQRBHBLF-RDJZCZTQSA-N 0 3 482.580 3.116 20 0 JGADHN C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCN(C)Cc2ccc(F)cc2)CCN1CC(F)(F)F ZINC001305165777 1068276640 /nfs/dbraw/zinc/27/66/40/1068276640.db2.gz QZSNCHQRFZOOIF-QGZVFWFLSA-N 0 3 492.525 3.079 20 0 JGADHN C[C@@H](Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1C(=O)NCc1ccc(Cl)cc1)N(C)C ZINC001303743049 1068302122 /nfs/dbraw/zinc/30/21/22/1068302122.db2.gz LHMIFJFRLKZELW-GUYCJALGSA-N 0 3 478.935 3.332 20 0 JGADHN C[C@@H]1CN(c2nnc(CCCc3ccccc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCS1 ZINC001305204271 1068329104 /nfs/dbraw/zinc/32/91/04/1068329104.db2.gz OXPUZIXIZINZSN-FYYLOGMGSA-N 0 3 484.714 3.338 20 0 JGADHN C[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCN2CCN(C)C(C)(C)C2)C[C@H](C)S1 ZINC001305205540 1068331480 /nfs/dbraw/zinc/33/14/80/1068331480.db2.gz DWNIXOJPBJIBFT-OYRHEFFESA-N 0 3 456.704 3.420 20 0 JGADHN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(N2CCN(C3CCOCC3)C[C@@H]2C)nnc1C(C)(C)C ZINC001303770545 1068344524 /nfs/dbraw/zinc/34/45/24/1068344524.db2.gz YWGYRFFMHWERLN-MOPGFXCFSA-N 0 3 478.682 3.426 20 0 JGADHN C[C@H](COCc1ccccc1)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(C)(C)C)CC1 ZINC001303775037 1068353713 /nfs/dbraw/zinc/35/37/13/1068353713.db2.gz XZXNHHPBOACHLY-NRFANRHFSA-N 0 3 468.646 3.174 20 0 JGADHN C[C@@H](N1CCN(c2nnc(-c3cnccn3)n2C[C@@H](c2cccs2)N(C)C)CC1)C(F)(F)F ZINC001303789063 1068371732 /nfs/dbraw/zinc/37/17/32/1068371732.db2.gz QVUNVBMUKBDABO-WBVHZDCISA-N 0 3 480.564 3.172 20 0 JGADHN CO[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC001303798383 1068390126 /nfs/dbraw/zinc/39/01/26/1068390126.db2.gz ANSBBSWFXNOYBP-PYMOVNHWSA-N 0 3 451.567 3.137 20 0 JGADHN C[C@H]1OCC[C@@]1(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(C)(C)C)CC1 ZINC001305246123 1068399505 /nfs/dbraw/zinc/39/95/05/1068399505.db2.gz QSSZVICCBHSADA-IVZQSRNASA-N 0 3 451.974 3.198 20 0 JGADHN C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCCCC1)N1CCc2ccccc2C1 ZINC001303805496 1068408842 /nfs/dbraw/zinc/40/88/42/1068408842.db2.gz DMPWJOYRBNVULK-OALUTQOASA-N 0 3 474.675 3.104 20 0 JGADHN C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCCCC1)N1CCc2ccccc2C1 ZINC001303805494 1068408884 /nfs/dbraw/zinc/40/88/84/1068408884.db2.gz DMPWJOYRBNVULK-MOPGFXCFSA-N 0 3 474.675 3.104 20 0 JGADHN C[C@@H]1[C@H](C)SCCN1c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305254925 1068417293 /nfs/dbraw/zinc/41/72/93/1068417293.db2.gz MVFMVKNGUDLQAH-CVEARBPZSA-N 0 3 496.523 3.392 20 0 JGADHN CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)N2CCN(CC)CC2)C1 ZINC001305261976 1068432041 /nfs/dbraw/zinc/43/20/41/1068432041.db2.gz FUTUHAZZMXBINK-WOJBJXKFSA-N 0 3 488.080 3.120 20 0 JGADHN CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@H](c2ccsc2)N(C)C)C1 ZINC001305266867 1068451330 /nfs/dbraw/zinc/45/13/30/1068451330.db2.gz PKTVSSVHFMKQLZ-UYAOXDASSA-N 0 3 455.632 3.143 20 0 JGADHN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001303829086 1068451629 /nfs/dbraw/zinc/45/16/29/1068451629.db2.gz XYYDLVGXWRILES-BXLRBYEISA-N 0 3 492.665 3.345 20 0 JGADHN CCC(C)(C)Cn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001305284958 1068486442 /nfs/dbraw/zinc/48/64/42/1068486442.db2.gz IYSOXTQMPCIXNR-HXUWFJFHSA-N 0 3 484.645 3.045 20 0 JGADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2ccco2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001303851396 1068489045 /nfs/dbraw/zinc/48/90/45/1068489045.db2.gz FPPJDSUGAIFVBF-PWIZWCRZSA-N 0 3 490.605 3.265 20 0 JGADHN CCC(C)(C)Cn1c(N2CCN(C3CCOCC3)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001305290348 1068493175 /nfs/dbraw/zinc/49/31/75/1068493175.db2.gz SEKHAIUQEOKUEH-NBGIEHNGSA-N 0 3 463.667 3.444 20 0 JGADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1CCCc1ccccc1 ZINC001303864691 1068502253 /nfs/dbraw/zinc/50/22/53/1068502253.db2.gz FXILBYOYHLVPDF-HXUWFJFHSA-N 0 3 476.691 3.079 20 0 JGADHN CCCN(C(=O)c1cn(CCO)nc1C1CCOCC1)C1CCN(Cc2ccccc2)CC1 ZINC001305308473 1068516859 /nfs/dbraw/zinc/51/68/59/1068516859.db2.gz YPVJZPGGKAMHCO-UHFFFAOYSA-N 0 3 454.615 3.286 20 0 JGADHN C[C@H](O)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCN(CCC(C)(C)C)CC2)cc1 ZINC001303889879 1068528292 /nfs/dbraw/zinc/52/82/92/1068528292.db2.gz INTRJAQPONVQLA-FQEVSTJZSA-N 0 3 468.646 3.174 20 0 JGADHN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCC(C)(F)F ZINC001303897909 1068539444 /nfs/dbraw/zinc/53/94/44/1068539444.db2.gz MYODBODTSSLIJE-XLIONFOSSA-N 0 3 494.562 3.345 20 0 JGADHN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1CCN(C)C1CCCC1 ZINC001303898302 1068540053 /nfs/dbraw/zinc/54/00/53/1068540053.db2.gz NMGLQEIBWDWRED-PGRDOPGGSA-N 0 3 493.649 3.445 20 0 JGADHN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1CCN(C)C1CCCC1 ZINC001303898304 1068540092 /nfs/dbraw/zinc/54/00/92/1068540092.db2.gz NMGLQEIBWDWRED-XMSQKQJNSA-N 0 3 493.649 3.445 20 0 JGADHN C[C@H](CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)N1CCCCC1 ZINC001303899807 1068542017 /nfs/dbraw/zinc/54/20/17/1068542017.db2.gz QJGSRAUUWZRIJV-DXIQSLLYSA-N 0 3 493.649 3.445 20 0 JGADHN C[C@@H](CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)N1CCCCC1 ZINC001303899806 1068542134 /nfs/dbraw/zinc/54/21/34/1068542134.db2.gz QJGSRAUUWZRIJV-CNNODRBYSA-N 0 3 493.649 3.445 20 0 JGADHN CC[C@H](C)[C@@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001305327312 1068550762 /nfs/dbraw/zinc/55/07/62/1068550762.db2.gz NPFXPFHPGAZYLT-DFBJGRDBSA-N 0 3 489.064 3.140 20 0 JGADHN CC[C@H](C)[C@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001305330918 1068557342 /nfs/dbraw/zinc/55/73/42/1068557342.db2.gz VXQIOIMCXRGPOM-RXFWQSSRSA-N 0 3 480.661 3.243 20 0 JGADHN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCNC(=O)C2)n1C[C@H](c1cccs1)N(C)C ZINC001303914523 1068564839 /nfs/dbraw/zinc/56/48/39/1068564839.db2.gz ZXRDVIHBXMBQHZ-CRAIPNDOSA-N 0 3 475.018 3.372 20 0 JGADHN CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001305336901 1068569010 /nfs/dbraw/zinc/56/90/10/1068569010.db2.gz BZRLPMZGYMPUKU-OUDXUNEISA-N 0 3 489.636 3.483 20 0 JGADHN CC(C)N1CCC[C@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001303923074 1068575285 /nfs/dbraw/zinc/57/52/85/1068575285.db2.gz NXECPBMAILTNCD-MOPGFXCFSA-N 0 3 481.638 3.158 20 0 JGADHN CC(C)N1CCC[C@@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001303923076 1068575397 /nfs/dbraw/zinc/57/53/97/1068575397.db2.gz NXECPBMAILTNCD-RBUKOAKNSA-N 0 3 481.638 3.158 20 0 JGADHN CC[C@H](C)[C@](C)(O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001305340762 1068576050 /nfs/dbraw/zinc/57/60/50/1068576050.db2.gz XWBGKYAJYYUPEE-PIBDYAPNSA-N 0 3 476.065 3.478 20 0 JGADHN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1CCCN1CCCC[C@H]1C ZINC001303923646 1068577642 /nfs/dbraw/zinc/57/76/42/1068577642.db2.gz HJELBIBQNWKIIT-AABGKKOBSA-N 0 3 493.649 3.445 20 0 JGADHN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1CCCN1CCCC[C@@H]1C ZINC001303923649 1068577740 /nfs/dbraw/zinc/57/77/40/1068577740.db2.gz HJELBIBQNWKIIT-UFYCRDLUSA-N 0 3 493.649 3.445 20 0 JGADHN CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001305343595 1068580913 /nfs/dbraw/zinc/58/09/13/1068580913.db2.gz WDHWARVLAQVTQE-AOJNWGRGSA-N 0 3 471.646 3.121 20 0 JGADHN CC[C@H](C)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CCCC2)CC1)OC ZINC001305348298 1068589617 /nfs/dbraw/zinc/58/96/17/1068589617.db2.gz LZBQPFKCLIHJRH-WMZHIEFXSA-N 0 3 489.686 3.474 20 0 JGADHN CC[C@H](C)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CCCC2)CC1)OC ZINC001305348154 1068589665 /nfs/dbraw/zinc/58/96/65/1068589665.db2.gz LZBQPFKCLIHJRH-CVDCTZTESA-N 0 3 489.686 3.474 20 0 JGADHN CC[C@H](C)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1)OC ZINC001305351007 1068594937 /nfs/dbraw/zinc/59/49/37/1068594937.db2.gz SAFAEJJLJWRPLY-SZGVKKGVSA-N 0 3 486.661 3.287 20 0 JGADHN CC[C@H](C)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1)OC ZINC001305351309 1068595468 /nfs/dbraw/zinc/59/54/68/1068595468.db2.gz IYVHVUPZOMAJNM-BGWNEDDSSA-N 0 3 469.678 3.314 20 0 JGADHN CC[C@@H](C)[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCN(CC(C)C)CC1)OC ZINC001305355458 1068603289 /nfs/dbraw/zinc/60/32/89/1068603289.db2.gz VOWFXXBWYIKNDX-KNQAVFIVSA-N 0 3 481.645 3.031 20 0 JGADHN CC[C@@H](C)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC2CCOCC2)CC1)OC ZINC001305356241 1068604639 /nfs/dbraw/zinc/60/46/39/1068604639.db2.gz XIYHJNSBBQHHSY-XXBNENTESA-N 0 3 456.635 3.258 20 0 JGADHN CC[C@H](C)c1nnc(N(CC)[C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CCc2ccccc2)C1 ZINC001305401947 1068643494 /nfs/dbraw/zinc/64/34/94/1068643494.db2.gz SSGQDCVWNJFYMD-WWNPGLIZSA-N 0 3 473.687 3.370 20 0 JGADHN CC[C@@H](C)c1nnc(N(CC)Cc2nc3ccccc3c(=O)[nH]2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001305403990 1068644378 /nfs/dbraw/zinc/64/43/78/1068644378.db2.gz KQSCJQZPGDHRNS-UXHICEINSA-N 0 3 480.661 3.493 20 0 JGADHN CC[C@H](C)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC001305410815 1068649392 /nfs/dbraw/zinc/64/93/92/1068649392.db2.gz OQZRCFMPSZXWAD-IPJJNNNSSA-N 0 3 454.619 3.304 20 0 JGADHN CC[C@H](C)c1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1Cc1ccc(OC)cc1OC ZINC001305411768 1068650644 /nfs/dbraw/zinc/65/06/44/1068650644.db2.gz MBHGXRGCXZIZQR-MZLICYQSSA-N 0 3 498.672 3.236 20 0 JGADHN CC[C@H](C)c1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CC1C[C@H](C)O[C@@H](C)C1 ZINC001305412087 1068651266 /nfs/dbraw/zinc/65/12/66/1068651266.db2.gz NTGQRTXGMJBYMZ-IUVFILBMSA-N 0 3 474.694 3.374 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC(C(=O)NC3CCCCC3)CC2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001305426568 1068663584 /nfs/dbraw/zinc/66/35/84/1068663584.db2.gz PLGAUESPTNYNJX-VXKWHMMOSA-N 0 3 487.737 3.483 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCC(C(=O)N3CCCCC3)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305426668 1068664200 /nfs/dbraw/zinc/66/42/00/1068664200.db2.gz QMGTUMBXYMBFGV-OAQYLSRUSA-N 0 3 473.710 3.047 20 0 JGADHN CC[C@H](C)c1nnc(N2CC[C@@](C)(N3CCOCC3)C2)n1CCN(CC)CCC(F)(F)F ZINC001305429425 1068668021 /nfs/dbraw/zinc/66/80/21/1068668021.db2.gz MGOCDSPFMXTZEX-GHTZIAJQSA-N 0 3 460.589 3.367 20 0 JGADHN CC[C@H](C)c1nnc(N2CC[C@H](N3CCN(CC)CC3)C2)n1C[C@@](C)(O)c1ccc(F)cc1 ZINC001305454861 1068693230 /nfs/dbraw/zinc/69/32/30/1068693230.db2.gz AMSSLSYOGPOMMZ-KIVTUJJHSA-N 0 3 458.626 3.055 20 0 JGADHN CC[C@@H](C)c1nnc(N2CC[C@H](N3CCN(CC)CC3)C2)n1Cc1ccc(NC(C)=O)cc1 ZINC001305454871 1068693301 /nfs/dbraw/zinc/69/33/01/1068693301.db2.gz APIZZXCTVOMJNX-XXBNENTESA-N 0 3 453.635 3.015 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC(N3CCNC3=O)CC2)n1C[C@@H](c1cccc(OC)c1)N(C)C ZINC001305457692 1068699441 /nfs/dbraw/zinc/69/94/41/1068699441.db2.gz KZAUOYLQSUFDRV-AVRDEDQJSA-N 0 3 469.634 3.097 20 0 JGADHN CC[C@@H](C)c1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CCNC(=O)c1ccc(C)c(F)c1 ZINC001305460931 1068703655 /nfs/dbraw/zinc/70/36/55/1068703655.db2.gz XUHRDMBVGGMPHD-NFBKMPQASA-N 0 3 499.679 3.274 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001305486270 1068723599 /nfs/dbraw/zinc/72/35/99/1068723599.db2.gz HISKOHLIXJZPFZ-FKBYEOEOSA-N 0 3 475.726 3.196 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCCN(c3ncccc3F)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305504325 1068739768 /nfs/dbraw/zinc/73/97/68/1068739768.db2.gz HQZPHQXLEHKNJP-HXUWFJFHSA-N 0 3 472.657 3.068 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)n1CC[NH+]1CCCCCC1 ZINC001305511252 1068752332 /nfs/dbraw/zinc/75/23/32/1068752332.db2.gz QGNMKNHOLLQUGF-HXUWFJFHSA-N 0 3 454.619 3.336 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1C[C@@H]1CCN(c2ccccc2F)C1 ZINC001305511506 1068752448 /nfs/dbraw/zinc/75/24/48/1068752448.db2.gz BQLFBSLNSHFENZ-FGZHOGPDSA-N 0 3 499.679 3.448 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCc1ccccc1OC(F)F ZINC001305512704 1068755994 /nfs/dbraw/zinc/75/59/94/1068755994.db2.gz DMBCOBQRGUJWGS-IBGZPJMESA-N 0 3 490.599 3.380 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@@H](C)Oc1cccc(C)c1 ZINC001305513916 1068758957 /nfs/dbraw/zinc/75/89/57/1068758957.db2.gz MLQXRVBKYVZYRZ-XJUOHMSHSA-N 0 3 468.646 3.310 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1Cc1nc2c(s1)C[C@H](C)CC2 ZINC001305515523 1068762351 /nfs/dbraw/zinc/76/23/51/1068762351.db2.gz VNHAFZSXPSBRIX-MOPGFXCFSA-N 0 3 487.718 3.412 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)NC)CC2)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC001305517652 1068766549 /nfs/dbraw/zinc/76/65/49/1068766549.db2.gz YWOYYEMKVRODNU-KNQAVFIVSA-N 0 3 469.634 3.099 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(c3ccccc3F)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305527587 1068781269 /nfs/dbraw/zinc/78/12/69/1068781269.db2.gz QGAHSQKDJPNSFV-HXUWFJFHSA-N 0 3 457.642 3.283 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(c3nccc(OC)n3)CC2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001305532095 1068788420 /nfs/dbraw/zinc/78/84/20/1068788420.db2.gz HUCPUODPHJRALC-GHTZIAJQSA-N 0 3 482.608 3.359 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CCCN(C)CC(F)(F)F ZINC001305532409 1068789430 /nfs/dbraw/zinc/78/94/30/1068789430.db2.gz BFXRFAPHKTVSOV-ROUUACIJSA-N 0 3 460.589 3.365 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(CC3CC3)CC2)n1CCCn1cc(Br)cn1 ZINC001305543987 1068819120 /nfs/dbraw/zinc/81/91/20/1068819120.db2.gz YPVQSEXEKFJMNB-INIZCTEOSA-N 0 3 450.429 3.373 20 0 JGADHN CC[C@@H](C)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001305581411 1068852573 /nfs/dbraw/zinc/85/25/73/1068852573.db2.gz XQLCVUWWCBISSP-RTBURBONSA-N 0 3 476.691 3.208 20 0 JGADHN CC[C@@H](C)N(C)CCn1c(-c2ccccc2Br)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 ZINC001305606172 1068873548 /nfs/dbraw/zinc/87/35/48/1068873548.db2.gz LFYFBDSVLSQRGJ-SJORKVTESA-N 0 3 498.491 3.451 20 0 JGADHN CC[C@H](C)N(C)CCn1c(-c2cc(C)nc3ccccc32)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001305606837 1068874268 /nfs/dbraw/zinc/87/42/68/1068874268.db2.gz IMUGIGQOIKEYJF-OALUTQOASA-N 0 3 470.643 3.155 20 0 JGADHN CC[C@H](C)N(C)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001305609917 1068883474 /nfs/dbraw/zinc/88/34/74/1068883474.db2.gz XFFKALILLZVVPB-GAJHUEQPSA-N 0 3 496.077 3.352 20 0 JGADHN CC[C@H](C)N(C)CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC001305616137 1068894894 /nfs/dbraw/zinc/89/48/94/1068894894.db2.gz ZMMSOYGFMBXCMI-BZSNNMDCSA-N 0 3 460.648 3.415 20 0 JGADHN CC[C@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC2CCC(C)CC2)CC1 ZINC001305620891 1068906271 /nfs/dbraw/zinc/90/62/71/1068906271.db2.gz XPAVICRPKJRHOK-INAZGPRKSA-N 0 3 495.734 3.475 20 0 JGADHN CC[C@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC2CCC(C)CC2)CC1 ZINC001305620895 1068906341 /nfs/dbraw/zinc/90/63/41/1068906341.db2.gz XPAVICRPKJRHOK-UTZODRGISA-N 0 3 495.734 3.475 20 0 JGADHN CC[C@H](C)N(C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001305623505 1068914421 /nfs/dbraw/zinc/91/44/21/1068914421.db2.gz VIIYBWPIKXDOMA-PXTPFGJHSA-N 0 3 471.712 3.185 20 0 JGADHN CC[C@@H](C)NC(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001305640376 1068956277 /nfs/dbraw/zinc/95/62/77/1068956277.db2.gz PLVMFHDYMYQPDR-HXUWFJFHSA-N 0 3 455.651 3.127 20 0 JGADHN CC[C@H](C)NC(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)N2CCc3ccccc3C2)CC1 ZINC001305643547 1068966297 /nfs/dbraw/zinc/96/62/97/1068966297.db2.gz LWCRRMPJSYLSEE-FCHUYYIVSA-N 0 3 495.716 3.059 20 0 JGADHN CC[C@H](C)NC(=O)CCn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001305644689 1068970296 /nfs/dbraw/zinc/97/02/96/1068970296.db2.gz ZTYFFIAQDSZFEF-HBMCJLEFSA-N 0 3 456.635 3.389 20 0 JGADHN CC[C@@H](c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1CCCN1CCOCC1)c1ccccc1 ZINC001305658705 1068998195 /nfs/dbraw/zinc/99/81/95/1068998195.db2.gz FXDKRHUWLZDPNE-WMTXJRDZSA-N 0 3 454.663 3.461 20 0 JGADHN CC[C@@H](c1nnc(N2C[C@@H](C)N(CC)C[C@H]2C)n1CCCN1CCOCC1)c1ccccc1 ZINC001305658702 1068998379 /nfs/dbraw/zinc/99/83/79/1068998379.db2.gz FXDKRHUWLZDPNE-CQOQZXRMSA-N 0 3 454.663 3.461 20 0 JGADHN CC[C@H](c1nnc(N2CCC(CO)CC2)n1CCCN1CCN(CC)CC1)c1ccccc1 ZINC001305666280 1069008560 /nfs/dbraw/zinc/00/85/60/1069008560.db2.gz YKZVJSTZYMERMV-DEOSSOPVSA-N 0 3 454.663 3.056 20 0 JGADHN CC[C@@H](c1nnc(N2CCCN(C(C)=O)CC2)n1C[C@@H](C)CN1CCN(CC)CC1)c1ccccc1 ZINC001305670569 1069016730 /nfs/dbraw/zinc/01/67/30/1069016730.db2.gz LEKLTWUZJBWJGI-JYFHCDHNSA-N 0 3 495.716 3.152 20 0 JGADHN CC[C@@H](c1nnc(N2CCCN(C(C)=O)CC2)n1C[C@H](C)CN1CCN(CC)CC1)c1ccccc1 ZINC001305670571 1069016801 /nfs/dbraw/zinc/01/68/01/1069016801.db2.gz LEKLTWUZJBWJGI-ZEQKJWHPSA-N 0 3 495.716 3.152 20 0 JGADHN CC[C@@H](c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1C[C@@]1(O)CCC[C@H]1C)c1ccccc1 ZINC001305672849 1069021683 /nfs/dbraw/zinc/02/16/83/1069021683.db2.gz NXYWFXPBQALFNZ-FAHANXHHSA-N 0 3 496.700 3.362 20 0 JGADHN CC[C@H](c1nnc(N2CCS(=O)(=O)CC2)n1CCCN1CCCC[C@H]1C)c1ccccc1 ZINC001305682037 1069040380 /nfs/dbraw/zinc/04/03/80/1069040380.db2.gz MJKITBOZQXDARC-IRLDBZIGSA-N 0 3 459.660 3.319 20 0 JGADHN CCC(CC)(Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCN(C(C)(C)C)CC1)OC ZINC001305692547 1069061286 /nfs/dbraw/zinc/06/12/86/1069061286.db2.gz GPBRWBNNSPIHDK-UHFFFAOYSA-N 0 3 481.645 3.318 20 0 JGADHN CCC(CC)[C@H](CCn1c(C2CCC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)OC ZINC001305701643 1069083279 /nfs/dbraw/zinc/08/32/79/1069083279.db2.gz HWFLRFXSLLPKTC-VXKWHMMOSA-N 0 3 460.667 3.130 20 0 JGADHN CCC(CC)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@@H](C)C1)N(C)C ZINC001305703727 1069087898 /nfs/dbraw/zinc/08/78/98/1069087898.db2.gz JNGDHRNQJCACQE-KGVIQGDOSA-N 0 3 477.675 3.329 20 0 JGADHN CCC(CC)[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](C(=O)NC)C1)N1CCOCC1 ZINC001305704068 1069089608 /nfs/dbraw/zinc/08/96/08/1069089608.db2.gz JZVAQHMJCDTRGG-UPVQGACJSA-N 0 3 498.672 3.053 20 0 JGADHN CCC(CC)[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1)N1CCOCC1 ZINC001305705704 1069094147 /nfs/dbraw/zinc/09/41/47/1069094147.db2.gz QYWLWURYXLCAPF-WNCULLNHSA-N 0 3 498.672 3.053 20 0 JGADHN CCC(CC)[C@H](Cn1c(-c2ccccc2OC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)N(C)C ZINC001305707775 1069098507 /nfs/dbraw/zinc/09/85/07/1069098507.db2.gz GEAKQDSJTIRIQD-SQJMNOBHSA-N 0 3 489.686 3.335 20 0 JGADHN CCC(CC)[C@H](Cn1c(-c2cccn2C)nnc1N1CCC(S(=O)(=O)CC)CC1)N(C)C ZINC001305708614 1069101159 /nfs/dbraw/zinc/10/11/59/1069101159.db2.gz WPONXVKTFDAZEV-NRFANRHFSA-N 0 3 464.680 3.054 20 0 JGADHN CCC(CC)[C@H](Cn1c(-c2ccccc2C)nnc1N1CC[C@](C)(C(N)=O)C1)N1CCOCC1 ZINC001305710347 1069107308 /nfs/dbraw/zinc/10/73/08/1069107308.db2.gz VAVAFZRAXCRWAY-NVQXNPDNSA-N 0 3 468.646 3.092 20 0 JGADHN CCC(CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1C)N(C)C ZINC001305713472 1069115970 /nfs/dbraw/zinc/11/59/70/1069115970.db2.gz JAXSNSSLXNTVLU-VXKWHMMOSA-N 0 3 461.676 3.491 20 0 JGADHN CCC(CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC)[C@H](C)C1)N1CCOCC1 ZINC001305715627 1069121146 /nfs/dbraw/zinc/12/11/46/1069121146.db2.gz NGGKDAQJIZIHKH-AKIFATBCSA-N 0 3 462.683 3.187 20 0 JGADHN CCC(CC)[C@@H](Cn1c(CCc2ccccc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)N(C)C ZINC001305716576 1069122946 /nfs/dbraw/zinc/12/29/46/1069122946.db2.gz QHZKNHHGECNQPR-BVAGGSTKSA-N 0 3 487.714 3.445 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1C[C@H]1CC(=O)N(c2ccccc2)C1 ZINC001305741526 1069173711 /nfs/dbraw/zinc/17/37/11/1069173711.db2.gz STXVOQOHZVKSQB-ACRUOGEOSA-N 0 3 495.672 3.169 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C)C3(CCC3)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305751080 1069197335 /nfs/dbraw/zinc/19/73/35/1069197335.db2.gz WTVZIOYJSVWELZ-FQEVSTJZSA-N 0 3 473.710 3.239 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccccc3OC)C2)n1CCN1CCCC1 ZINC001305752987 1069201502 /nfs/dbraw/zinc/20/15/02/1069201502.db2.gz VHFSFVVAZVJWQB-LJQANCHMSA-N 0 3 454.619 3.295 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CC1(C)CCCC1 ZINC001305757232 1069213782 /nfs/dbraw/zinc/21/37/82/1069213782.db2.gz WPGONFGQTWXHGV-JOCHJYFZSA-N 0 3 473.710 3.382 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCCN(c3nccs3)CC2)n1CCN1CCC(C)CC1 ZINC001305775605 1069257675 /nfs/dbraw/zinc/25/76/75/1069257675.db2.gz BKDNDGCIZURUJR-UHFFFAOYSA-N 0 3 488.706 3.102 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCCN(Cc3ccccc3)CC2)n1CCC(=O)NC(C)(C)C ZINC001305777241 1069262796 /nfs/dbraw/zinc/26/27/96/1069262796.db2.gz XDSPRHKPKFMXCH-UHFFFAOYSA-N 0 3 497.688 3.214 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1CCC(=O)Nc1ccccc1 ZINC001305779575 1069269100 /nfs/dbraw/zinc/26/91/00/1069269100.db2.gz MXHYNBLIFVUAAP-UHFFFAOYSA-N 0 3 469.634 3.146 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H](c1ccsc1)N(C)C ZINC001305780605 1069271681 /nfs/dbraw/zinc/27/16/81/1069271681.db2.gz UZAUABBRXQTMHJ-FQEVSTJZSA-N 0 3 475.707 3.481 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1C/C=C\c1ccccc1 ZINC001305787346 1069293903 /nfs/dbraw/zinc/29/39/03/1069293903.db2.gz KNAHEHOCJUVTIG-GIVJRHHMSA-N 0 3 466.630 3.068 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN3CCCC[C@H]3C2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001305787454 1069294417 /nfs/dbraw/zinc/29/44/17/1069294417.db2.gz AFXCTEKMLMCAJT-GOTSBHOMSA-N 0 3 485.652 3.313 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(CC3CCCCC3)CC2)n1Cc1cccn(CC)c1=O ZINC001305787599 1069294447 /nfs/dbraw/zinc/29/44/47/1069294447.db2.gz MBGFQKORUGWGBP-UHFFFAOYSA-N 0 3 497.688 3.129 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3ccco3)C2)n1C[C@H]1N(C)CCCC1(C)C ZINC001305792350 1069306312 /nfs/dbraw/zinc/30/63/12/1069306312.db2.gz AXNQCZGMUKKPJQ-NHCUHLMSSA-N 0 3 472.634 3.488 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3ccc(F)cc3F)C2)n1CCN1CCCC1 ZINC001305793366 1069309006 /nfs/dbraw/zinc/30/90/06/1069309006.db2.gz FDQJNWRWTXGLJB-OAQYLSRUSA-N 0 3 476.572 3.148 20 0 JGADHN NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC001164630106 719092401 /nfs/dbraw/zinc/09/24/01/719092401.db2.gz VIMCOEOHRBCUOL-MAUKXSAKSA-N 0 3 456.946 3.028 20 0 JGADHN c1cncc(CN2CC[C@@H]3[C@@H]2CCN3c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)c1 ZINC001164735955 720439841 /nfs/dbraw/zinc/43/98/41/720439841.db2.gz ZXXONDPADWPJEG-LEWJYISDSA-N 0 3 476.650 3.260 20 0 JGADHN c1cncc(CN2CC[C@H]3[C@@H]2CCN3c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)c1 ZINC001164735958 720439899 /nfs/dbraw/zinc/43/98/99/720439899.db2.gz ZXXONDPADWPJEG-SFTDATJTSA-N 0 3 476.650 3.260 20 0 JGADHN c1cncc(CN2CC[C@H]3[C@H]2CCN3c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)c1 ZINC001164735957 720440222 /nfs/dbraw/zinc/44/02/22/720440222.db2.gz ZXXONDPADWPJEG-RTWAWAEBSA-N 0 3 476.650 3.260 20 0 JGADHN CN(C)C(=O)c1cc2cnc(N3CCc4ncc(CN5CCCC5)n4CC3)nc2n1C1CCCC1 ZINC001164728865 720565126 /nfs/dbraw/zinc/56/51/26/720565126.db2.gz ODAAADCCUMREID-UHFFFAOYSA-N 0 3 476.629 3.103 20 0 JGADHN CCOC(=O)c1cnc(C(F)(F)N2CCCn3cnc(CNC4CCC4)c3C2)nc1Cl ZINC001164838025 720737425 /nfs/dbraw/zinc/73/74/25/720737425.db2.gz PXEDKJGYVFCXIA-UHFFFAOYSA-N 0 3 454.909 3.101 20 0 JGADHN COc1ccc(-c2csc3ncnc(N4CCN5C[C@H](Oc6cncnc6)C[C@@H]5C4)c23)cc1 ZINC001164744796 720757449 /nfs/dbraw/zinc/75/74/49/720757449.db2.gz SSRFTOWOAFIGDU-IEBWSBKVSA-N 0 3 460.563 3.499 20 0 JGADHN CCOC(=O)c1c(Cl)c2ccccc2nc1N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164745281 720758413 /nfs/dbraw/zinc/75/84/13/720758413.db2.gz UVCIWAMMSANEGT-JKSUJKDBSA-N 0 3 453.930 3.197 20 0 JGADHN Cc1sc2nc(CN3CCCCC3)nc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1C ZINC001164745237 720762426 /nfs/dbraw/zinc/76/24/26/720762426.db2.gz UBXKVLACOPNOSD-WOJBJXKFSA-N 0 3 479.654 3.426 20 0 JGADHN Cc1sc2nc(CN3CCCCC3)nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1C ZINC001164745232 720762995 /nfs/dbraw/zinc/76/29/95/720762995.db2.gz UBXKVLACOPNOSD-UXHICEINSA-N 0 3 479.654 3.426 20 0 JGADHN c1ncc(O[C@@H]2C[C@H]3CN(c4nc(CN5CCCC5)nc5sc6c(c54)CCCC6)CCN3C2)cn1 ZINC001164741851 720764758 /nfs/dbraw/zinc/76/47/58/720764758.db2.gz NDETZTPBLYZWCB-RBUKOAKNSA-N 0 3 491.665 3.298 20 0 JGADHN c1cnc(-c2nc3sc4c(c3c(N3CCN5C[C@H](Oc6cncnc6)C[C@@H]5C3)n2)CCCC4)cn1 ZINC001164750333 720788555 /nfs/dbraw/zinc/78/85/55/720788555.db2.gz VDVROHJLHXZNIY-IAGOWNOFSA-N 0 3 486.605 3.159 20 0 JGADHN c1cnc(-c2nc3sc4c(c3c(N3CCN5C[C@@H](Oc6cncnc6)C[C@@H]5C3)n2)CCCC4)cn1 ZINC001164750339 720788610 /nfs/dbraw/zinc/78/86/10/720788610.db2.gz VDVROHJLHXZNIY-SJORKVTESA-N 0 3 486.605 3.159 20 0 JGADHN c1ccc(COc2ccc3c(c2)ncnc3N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)cc1 ZINC001164751962 720801653 /nfs/dbraw/zinc/80/16/53/720801653.db2.gz YHUMNXWYHVSPEH-UNMCSNQZSA-N 0 3 454.534 3.341 20 0 JGADHN C[C@@H]1CCCN1C(=O)c1nn(-c2nc(Cl)nc3c2CN(Cc2ccccc2)CC3)c2c1CNCC2 ZINC001164847695 720805464 /nfs/dbraw/zinc/80/54/64/720805464.db2.gz NJUOHHPIIASLFN-QGZVFWFLSA-N 0 3 492.027 3.144 20 0 JGADHN CS(=O)(=O)c1ccc(Cl)nc1N1CC[C@]2(CN(CC3CC3)C[C@H]2COCc2cccnc2)C1 ZINC001164749690 720907481 /nfs/dbraw/zinc/90/74/81/720907481.db2.gz IINUOTBVKPKVCQ-RDPSFJRHSA-N 0 3 491.057 3.289 20 0 JGADHN CCS(=O)(=O)c1ccnc(N2CC[C@@]3(CN(CC4CC4)C[C@H]3COCc3cccnc3)C2)c1 ZINC001164755205 720940401 /nfs/dbraw/zinc/94/04/01/720940401.db2.gz ZTFKGPSHDUSYIL-WIOPSUGQSA-N 0 3 470.639 3.025 20 0 JGADHN CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866417 721082022 /nfs/dbraw/zinc/08/20/22/721082022.db2.gz TZWNZQDOWWZURN-ROUUACIJSA-N 0 3 467.957 3.335 20 0 JGADHN CN(C)C(=O)c1cc2cnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2n1C1CCCC1 ZINC001164865575 721088622 /nfs/dbraw/zinc/08/86/22/721088622.db2.gz NDKRPLAKXWUCSU-GOTSBHOMSA-N 0 3 489.624 3.123 20 0 JGADHN O=C(NCCSCc1ccco1)c1cccnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865376 721110108 /nfs/dbraw/zinc/11/01/08/721110108.db2.gz KNAGHHRDQQYHBM-GMAHTHKFSA-N 0 3 493.633 3.213 20 0 JGADHN COc1ccc(Cn2cc3[nH]c(N4CCN5C[C@@H](OCc6cccnc6)C[C@@H]5C4)ccc-3c2=O)cc1 ZINC001164877576 721133920 /nfs/dbraw/zinc/13/39/20/721133920.db2.gz OQZOBKFOVHFARH-VWNXMTODSA-N 0 3 485.588 3.121 20 0 JGADHN CCOC(=O)c1ccc2nc(Cl)nc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164876506 721134242 /nfs/dbraw/zinc/13/42/42/721134242.db2.gz MVPRBLJXLBXEKF-RBUKOAKNSA-N 0 3 467.957 3.335 20 0 JGADHN CCOC(=O)c1ccc2nc(Cl)nc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164876509 721135320 /nfs/dbraw/zinc/13/53/20/721135320.db2.gz MVPRBLJXLBXEKF-RTBURBONSA-N 0 3 467.957 3.335 20 0 JGADHN c1cncc(CO[C@H]2C[C@@H]3CN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)CCN3C2)c1 ZINC001164869773 721161185 /nfs/dbraw/zinc/16/11/85/721161185.db2.gz BIEZVDMSTUVEAV-YADHBBJMSA-N 0 3 459.550 3.180 20 0 JGADHN COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164767543 721173933 /nfs/dbraw/zinc/17/39/33/721173933.db2.gz JZEWALRJPITIFY-RTBURBONSA-N 0 3 470.618 3.049 20 0 JGADHN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc5c(n4)CCN(Cc4ccccc4)C5)C3)O2)CC1 ZINC001164883582 721400275 /nfs/dbraw/zinc/40/02/75/721400275.db2.gz BAJHZCGMGBUQQO-GGXMVOPNSA-N 0 3 475.681 3.405 20 0 JGADHN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc5c(n4)CCN(Cc4ccccc4)C5)C3)O2)CC1 ZINC001164883584 721400522 /nfs/dbraw/zinc/40/05/22/721400522.db2.gz BAJHZCGMGBUQQO-UHSQPCAPSA-N 0 3 475.681 3.405 20 0 JGADHN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncnc5c4ccn5Cc4ccccc4)C3)O2)CC1 ZINC001164892962 721417532 /nfs/dbraw/zinc/41/75/32/721417532.db2.gz ZLJFERQSAPTMME-WNCULLNHSA-N 0 3 460.626 3.245 20 0 JGADHN O=S(=O)(c1ccccc1)n1ccc2cnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nc21 ZINC001164911561 721550773 /nfs/dbraw/zinc/55/07/73/721550773.db2.gz XJPOSWYGVKNYJH-RBBKRZOGSA-N 0 3 493.564 3.149 20 0 JGADHN Fc1cccc(O[C@H]2C[C@@H]3CN(c4cc(N5CCN(c6ccccc6F)CC5)ncn4)CCN3C2)c1 ZINC001164911033 721557125 /nfs/dbraw/zinc/55/71/25/721557125.db2.gz YEDTXYJTPNFEAG-GGAORHGYSA-N 0 3 492.574 3.423 20 0 JGADHN Fc1cccc(O[C@H]2C[C@@H]3CN(c4cc(N5CCN(c6ccccc6)CC5)ncn4)CCN3C2)c1 ZINC001164911901 721559842 /nfs/dbraw/zinc/55/98/42/721559842.db2.gz ZZGVWGOIICYNHC-NOZRDPDXSA-N 0 3 474.584 3.284 20 0 JGADHN COc1cccc(CN2C[C@@H]3CCN(c4ccc(CN5CCCC5)cn4)CC[C@H]3S2(=O)=O)c1 ZINC001164808896 721592847 /nfs/dbraw/zinc/59/28/47/721592847.db2.gz RJNZZJQENOVMGV-LADGPHEKSA-N 0 3 470.639 3.117 20 0 JGADHN CN(C)c1cc(C(F)(F)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc(Cl)n1 ZINC001164965142 722062086 /nfs/dbraw/zinc/06/20/86/722062086.db2.gz IWWIOYFHXQRYIO-UHFFFAOYSA-N 0 3 466.964 3.255 20 0 JGADHN O=C(c1cc(Cl)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1)N1CCCCC1 ZINC001164980782 722105696 /nfs/dbraw/zinc/10/56/96/722105696.db2.gz KJRMVHCKWYVBPW-UNMCSNQZSA-N 0 3 470.017 3.483 20 0 JGADHN COC(=O)c1ccc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(Cl)n1 ZINC001164971013 722113554 /nfs/dbraw/zinc/11/35/54/722113554.db2.gz BBTXJQSFLSRJRE-APWZRJJASA-N 0 3 466.916 3.189 20 0 JGADHN CCOC(Cc1c(Cl)ncnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1)OCC ZINC001164975101 722118175 /nfs/dbraw/zinc/11/81/75/722118175.db2.gz JKWWYCRERSEOAW-PZJWPPBQSA-N 0 3 476.021 3.194 20 0 JGADHN FC(F)(c1ccc2ncnc(Cl)c2n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981977 722127598 /nfs/dbraw/zinc/12/75/98/722127598.db2.gz VLCAXKZHIJHRKY-SJLPKXTDSA-N 0 3 460.916 3.345 20 0 JGADHN COc1ccc(Cn2cc3[nH]c(N4CC[C@H]5CN(Cc6cccnc6)CCO[C@@H]5C4)ccc-3c2=O)cc1 ZINC001164983805 722137595 /nfs/dbraw/zinc/13/75/95/722137595.db2.gz VDEXBHQBJVWPRH-WNCULLNHSA-N 0 3 499.615 3.369 20 0 JGADHN COC(=O)C[C@H](c1ccnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1)C1CC1 ZINC001164976997 722137783 /nfs/dbraw/zinc/13/77/83/722137783.db2.gz HMTABNCLNUXICZ-TZRRMPRUSA-N 0 3 450.583 3.261 20 0 JGADHN O=C(c1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1)N1CCCCC1 ZINC001164975108 722143766 /nfs/dbraw/zinc/14/37/66/722143766.db2.gz DVQHDCKLTIEBQS-REWPJTCUSA-N 0 3 470.017 3.483 20 0 JGADHN O=C(c1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1)N1CCCCC1 ZINC001164975106 722143941 /nfs/dbraw/zinc/14/39/41/722143941.db2.gz DVQHDCKLTIEBQS-OFNKIYASSA-N 0 3 470.017 3.483 20 0 JGADHN c1cncc(CN2CCO[C@@H]3CN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)CC[C@H]3C2)c1 ZINC001164983820 722147450 /nfs/dbraw/zinc/14/74/50/722147450.db2.gz VJZWYBBLMAVRBY-BKMJKUGQSA-N 0 3 473.577 3.427 20 0 JGADHN Cc1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001164981590 722150822 /nfs/dbraw/zinc/15/08/22/722150822.db2.gz PJSQPKDUDRQXRV-PKTZIBPZSA-N 0 3 458.566 3.160 20 0 JGADHN O=C(Nc1cccnc1Cl)OCC(F)(F)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164972457 722153995 /nfs/dbraw/zinc/15/39/95/722153995.db2.gz HVPGDTJXFDXWOA-MJGOQNOKSA-N 0 3 481.931 3.494 20 0 JGADHN CC1(C)NC(=O)N(Cc2ccc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)nc2)C1=O ZINC001164995993 722209248 /nfs/dbraw/zinc/20/92/48/722209248.db2.gz RFMLEGGODLNBEN-RUZDIDTESA-N 0 3 451.546 3.296 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCOCC3(CCC3)C2)n1CCN1CCCC(C)(C)C1 ZINC001305796583 1069316639 /nfs/dbraw/zinc/31/66/39/1069316639.db2.gz VEFIJFOMRSDROA-UHFFFAOYSA-N 0 3 460.667 3.325 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCOCC3(CCC3)C2)n1C[C@@H]1N(C)CCCC1(C)C ZINC001305796977 1069318009 /nfs/dbraw/zinc/31/80/09/1069318009.db2.gz ZPCNQRDPYCKOLH-FQEVSTJZSA-N 0 3 460.667 3.324 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCC[C@@H](C)C1 ZINC001305798331 1069319447 /nfs/dbraw/zinc/31/94/47/1069319447.db2.gz NTJUHVJTQDFMHK-UYAOXDASSA-N 0 3 491.681 3.032 20 0 JGADHN CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCCCC2)CC1)NC(=O)OC(C)(C)C ZINC001305802288 1069325818 /nfs/dbraw/zinc/32/58/18/1069325818.db2.gz CHHCXLCXKGVFBW-LJQANCHMSA-N 0 3 491.681 3.174 20 0 JGADHN CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C)OC ZINC001305811773 1069342451 /nfs/dbraw/zinc/34/24/51/1069342451.db2.gz RUBQBWZRGVZCQO-YQQAZPJKSA-N 0 3 453.429 3.390 20 0 JGADHN CC[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N(CC)CCS(C)(=O)=O)N1CCCC1 ZINC001305815809 1069348949 /nfs/dbraw/zinc/34/89/49/1069348949.db2.gz PBMDOISHSFQMCE-IBGZPJMESA-N 0 3 454.040 3.344 20 0 JGADHN CCc1ccc([C@H](Cn2c(CC(C)C)nnc2N2CCN(c3cccnn3)CC2)N(C)C)cc1 ZINC001305915644 1069470346 /nfs/dbraw/zinc/47/03/46/1069470346.db2.gz AZETWSLXFOQANO-QHCPKHFHSA-N 0 3 462.646 3.459 20 0 JGADHN CCc1ccc([C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(OC)C2)N(C)C)cc1 ZINC001305916985 1069471962 /nfs/dbraw/zinc/47/19/62/1069471962.db2.gz FTCANQIPXGBSAP-TYBLODHISA-N 0 3 454.619 3.100 20 0 JGADHN CCc1ccc([C@H](Cn2c([C@H]3CCOC3)nnc2N2CCCN(C(=O)C(C)C)CC2)N(C)C)cc1 ZINC001305920509 1069475883 /nfs/dbraw/zinc/47/58/83/1069475883.db2.gz SGPTWSLXQKIHMG-ZEQRLZLVSA-N 0 3 482.673 3.342 20 0 JGADHN CCc1ccc([C@@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CCC2CCOCC2)N(C)C)cc1 ZINC001305920626 1069476287 /nfs/dbraw/zinc/47/62/87/1069476287.db2.gz TVWQZACDHTYPQX-DHIUTWEWSA-N 0 3 468.646 3.347 20 0 JGADHN CCc1ccc([C@H](Cn2c(Cc3ccccn3)nnc2N2CC[C@](C)(C(=O)NC)C2)N(C)C)cc1 ZINC001305921077 1069476766 /nfs/dbraw/zinc/47/67/66/1069476766.db2.gz WFLARAQURUBJAV-HOFKKMOUSA-N 0 3 475.641 3.092 20 0 JGADHN CCc1ccc([C@@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2nccs2)N(C)C)cc1 ZINC001305921448 1069477404 /nfs/dbraw/zinc/47/74/04/1069477404.db2.gz ZGJFBOSXGWNVKW-RBUKOAKNSA-N 0 3 453.616 3.187 20 0 JGADHN CCc1ccc([C@@H](Cn2c(Cc3ccncc3)nnc2N2CCN(C(=O)OC)[C@@H](C)C2)N(C)C)cc1 ZINC001305921412 1069477482 /nfs/dbraw/zinc/47/74/82/1069477482.db2.gz YOPUIWRKSMUVBV-GBXCKJPGSA-N 0 3 491.640 3.406 20 0 JGADHN CCc1ccc([C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@H](OC)C2)N(C)C)cc1 ZINC001305921215 1069477489 /nfs/dbraw/zinc/47/74/89/1069477489.db2.gz RUUQVDAIQCYNQC-NHCUHLMSSA-N 0 3 482.654 3.360 20 0 JGADHN CN(CC(C)(C)C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CCc2ccccc2)C1 ZINC001298230122 1064138754 /nfs/dbraw/zinc/13/87/54/1064138754.db2.gz LJLRCTXDAMBFLX-VXKWHMMOSA-N 0 3 473.687 3.227 20 0 JGADHN CN(C)C1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)CC(F)(F)F)CCCC1 ZINC001298240945 1064146690 /nfs/dbraw/zinc/14/66/90/1064146690.db2.gz SFLSMSJLIUBFIH-UHFFFAOYSA-N 0 3 459.538 3.222 20 0 JGADHN CN(Cc1cc(Br)cs1)c1nnc(-c2cnn(C)c2)n1CCN1CC=CCC1 ZINC001298260350 1064155573 /nfs/dbraw/zinc/15/55/73/1064155573.db2.gz XZSASCOWMUTOLU-UHFFFAOYSA-N 0 3 462.421 3.401 20 0 JGADHN CN(C)[C@H](Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(C(N)=O)cc1)c1cccs1 ZINC001298292389 1064177534 /nfs/dbraw/zinc/17/75/34/1064177534.db2.gz MRDWTDVCBBTQIB-RTBURBONSA-N 0 3 454.600 3.229 20 0 JGADHN CN(Cc1ccc(F)c(F)c1)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCCCC1 ZINC001298305929 1064185547 /nfs/dbraw/zinc/18/55/47/1064185547.db2.gz RLVSYYDZBGOJAE-UHFFFAOYSA-N 0 3 455.513 3.326 20 0 JGADHN CN(Cc1ccc(F)cc1F)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCCCC1 ZINC001298310798 1064187613 /nfs/dbraw/zinc/18/76/13/1064187613.db2.gz SKAXPOFTWZUDHO-UHFFFAOYSA-N 0 3 455.513 3.326 20 0 JGADHN CN(C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1)c1cccs1 ZINC001298317396 1064193071 /nfs/dbraw/zinc/19/30/71/1064193071.db2.gz SLFMSVOTFUMCOU-UYAOXDASSA-N 0 3 489.667 3.186 20 0 JGADHN CN(Cc1cccc(C(N)=O)c1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CC=CCC1 ZINC001298330363 1064205552 /nfs/dbraw/zinc/20/55/52/1064205552.db2.gz CXOJFAXVZUGEAU-FGZHOGPDSA-N 0 3 466.630 3.194 20 0 JGADHN CN(C)[C@@H](Cn1c(-c2cccnc2)nnc1N(C)Cc1cccc(C(N)=O)c1)c1cccs1 ZINC001298333471 1064206978 /nfs/dbraw/zinc/20/69/78/1064206978.db2.gz VAMTTWBZZYJDMO-FQEVSTJZSA-N 0 3 461.595 3.440 20 0 JGADHN CN(C)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1ccsc1)C1CC1 ZINC001298427574 1064247466 /nfs/dbraw/zinc/24/74/66/1064247466.db2.gz XSGPQRBGTFUGBM-HXUWFJFHSA-N 0 3 459.641 3.387 20 0 JGADHN CN(C)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ncnn1CC(F)F)c1cccs1 ZINC001298462404 1064263626 /nfs/dbraw/zinc/26/36/26/1064263626.db2.gz KAHFHXGQNAHMSO-JKSUJKDBSA-N 0 3 480.589 3.377 20 0 JGADHN CN(Cc1ncnn1CC(F)F)c1nnc(C(C)(C)C)n1C[C@@H](c1ccco1)N1CCCC1 ZINC001298462397 1064263717 /nfs/dbraw/zinc/26/37/17/1064263717.db2.gz PYDVGTFTWXOCEA-INIZCTEOSA-N 0 3 462.549 3.499 20 0 JGADHN CN(C[C@H]1CCCCO1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1N(C)CCCC1(C)C ZINC001298538443 1064300335 /nfs/dbraw/zinc/30/03/35/1064300335.db2.gz ZPUUOPAPXODSLQ-MOPGFXCFSA-N 0 3 455.607 3.051 20 0 JGADHN CN(CCc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCCC1 ZINC001298619832 1064391149 /nfs/dbraw/zinc/39/11/49/1064391149.db2.gz ZTJNPLNTNGRCEY-FQEVSTJZSA-N 0 3 477.650 3.263 20 0 JGADHN CN(CCC1CCOCC1)c1nnc(Cc2ccc(F)cc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001298649107 1064423684 /nfs/dbraw/zinc/42/36/84/1064423684.db2.gz OGJADHJENTXGPS-UHFFFAOYSA-N 0 3 472.653 3.287 20 0 JGADHN CN(CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)Cc1ccc(F)cc1 ZINC001298705630 1064511031 /nfs/dbraw/zinc/51/10/31/1064511031.db2.gz IKFRJYDTQBGZRG-CJFMBICVSA-N 0 3 472.609 3.142 20 0 JGADHN CN(CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(F)(F)F)C1)Cc1ccccc1 ZINC001298706208 1064511733 /nfs/dbraw/zinc/51/17/33/1064511733.db2.gz QHYHLBSEPAUSMA-ZWKOTPCHSA-N 0 3 450.509 3.140 20 0 JGADHN CN(CCn1c(C2CCC2)nnc1N(C)CCN1CCOC(C)(C)C1)Cc1ccc(F)cc1 ZINC001298706063 1064511809 /nfs/dbraw/zinc/51/18/09/1064511809.db2.gz PFNPDDMBNNHSSM-UHFFFAOYSA-N 0 3 458.626 3.364 20 0 JGADHN CN(CCn1c(CC2CC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)Cc1ccccc1 ZINC001298711713 1064517467 /nfs/dbraw/zinc/51/74/67/1064517467.db2.gz DIPYWPXUMOEHMT-JOCHJYFZSA-N 0 3 484.645 3.093 20 0 JGADHN CN(CCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC001298712428 1064519408 /nfs/dbraw/zinc/51/94/08/1064519408.db2.gz OXTAIIDFOMSMGT-UHFFFAOYSA-N 0 3 496.660 3.304 20 0 JGADHN CN(CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)Cc1ccc(F)cc1 ZINC001298712335 1064519511 /nfs/dbraw/zinc/51/95/11/1064519511.db2.gz BAZZMKBAMVYKCU-IRLDBZIGSA-N 0 3 486.636 3.184 20 0 JGADHN CN(CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)Cc1ccccc1 ZINC001298714812 1064524562 /nfs/dbraw/zinc/52/45/62/1064524562.db2.gz QMOGGWQNBKCVSR-FGZHOGPDSA-N 0 3 484.645 3.408 20 0 JGADHN CN(CCn1c(CN2CCCC2=O)nnc1N1CC=C(C(F)(F)F)CC1)Cc1ccccc1 ZINC001298717099 1064526818 /nfs/dbraw/zinc/52/68/18/1064526818.db2.gz IQIJXMGOSAYOFF-UHFFFAOYSA-N 0 3 462.520 3.231 20 0 JGADHN CC(C)Oc1ccc([C@H](CNC(=O)[C@H](C)[C@@H](O)CN(C)C(=O)OC(C)(C)C)N(C)C)cc1 ZINC001298722316 1064533172 /nfs/dbraw/zinc/53/31/72/1064533172.db2.gz LZVVSZYUXMIGOI-QMMLZNLJSA-N 0 3 451.608 3.057 20 0 JGADHN CN(C)C1(Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)CCS(C)(=O)=O)CCCCC1 ZINC001298782669 1064587497 /nfs/dbraw/zinc/58/74/97/1064587497.db2.gz VCRJXQCUBMJROU-UHFFFAOYSA-N 0 3 472.659 3.096 20 0 JGADHN Cn1cc(Br)cc1-c1nnc(N2CCN(C(C)(C)C)CC2)n1CC[C@H]1CCOC1 ZINC001298801860 1064600137 /nfs/dbraw/zinc/60/01/37/1064600137.db2.gz RREOTVGYCCGIDZ-INIZCTEOSA-N 0 3 465.440 3.393 20 0 JGADHN Cn1cc(Br)cc1-c1nnc(N2CCN(C3CCCC3)CC2)n1CCSCCCO ZINC001298801994 1064600696 /nfs/dbraw/zinc/60/06/96/1064600696.db2.gz VQQJTPLAPAKZCR-UHFFFAOYSA-N 0 3 497.507 3.226 20 0 JGADHN CN(CCCN(C)C(=O)[C@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2)Cc1ccncc1 ZINC001298846868 1064650300 /nfs/dbraw/zinc/65/03/00/1064650300.db2.gz QFZCILFBLYWYMN-BVAGGSTKSA-N 0 3 450.583 3.411 20 0 JGADHN CN(CCCN(C)C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)Cc1ccncc1 ZINC001298846701 1064650543 /nfs/dbraw/zinc/65/05/43/1064650543.db2.gz OWBFWRNGACECJS-SFHVURJKSA-N 0 3 459.388 3.178 20 0 JGADHN CN(CCCN(C)C(=O)c1cc(F)cc(I)c1N)Cc1ccncc1 ZINC001298847679 1064651433 /nfs/dbraw/zinc/65/14/33/1064651433.db2.gz VYTBRRHOKQOZIS-UHFFFAOYSA-N 0 3 456.303 3.002 20 0 JGADHN Cn1cccc1-c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CCN1CC=CCC1 ZINC001298852391 1064654886 /nfs/dbraw/zinc/65/48/86/1064654886.db2.gz IKJWIPGRCSQHLO-OAQYLSRUSA-N 0 3 452.525 3.075 20 0 JGADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCOC(C)(C)C)CC1 ZINC001298886278 1064694150 /nfs/dbraw/zinc/69/41/50/1064694150.db2.gz DYHMMBUWVNZPIG-FQEVSTJZSA-N 0 3 475.037 3.156 20 0 JGADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC001298889474 1064699512 /nfs/dbraw/zinc/69/95/12/1064699512.db2.gz UFLLRERSQGBSEQ-GOSISDBHSA-N 0 3 494.562 3.107 20 0 JGADHN CN1CCN(CCn2c([C@@H]3CCCCO3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CC1(C)C ZINC001298896869 1064703877 /nfs/dbraw/zinc/70/38/77/1064703877.db2.gz IRLVABCDDHSPSY-MSOLQXFVSA-N 0 3 458.573 3.324 20 0 JGADHN O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC001298926629 1064726049 /nfs/dbraw/zinc/72/60/49/1064726049.db2.gz SRFMJTHWRHHWJB-LJQANCHMSA-N 0 3 459.587 3.299 20 0 JGADHN O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC001298926629 1064726059 /nfs/dbraw/zinc/72/60/59/1064726059.db2.gz SRFMJTHWRHHWJB-LJQANCHMSA-N 0 3 459.587 3.299 20 0 JGADHN CNC(=O)C(C)(C)Cn1c(CCc2ccccc2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001298943154 1064735908 /nfs/dbraw/zinc/73/59/08/1064735908.db2.gz QXXYQIBADIUWAM-UHFFFAOYSA-N 0 3 454.663 3.394 20 0 JGADHN CNC(=O)[C@@]1(C)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)N2CCC(C)CC2)C1 ZINC001298999448 1064779209 /nfs/dbraw/zinc/77/92/09/1064779209.db2.gz LHQLLKNJQQOYLS-IDISGSTGSA-N 0 3 495.672 3.230 20 0 JGADHN CNC(=O)[C@@]1(C)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)N2CCC(C)CC2)C1 ZINC001298999471 1064779268 /nfs/dbraw/zinc/77/92/68/1064779268.db2.gz LHQLLKNJQQOYLS-ZBLYBZFDSA-N 0 3 495.672 3.230 20 0 JGADHN CCN1CCCN(C(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C1 ZINC001299009001 1064793452 /nfs/dbraw/zinc/79/34/52/1064793452.db2.gz DAMQSZPVTXHCBK-RDPSFJRHSA-N 0 3 455.624 3.053 20 0 JGADHN CCN1CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)N[C@@H]3CCCC[C@@H]3C)c2)[C@@H](C)C1 ZINC001299010447 1064794284 /nfs/dbraw/zinc/79/42/84/1064794284.db2.gz UQBYKSSFGXKHJY-CMKODMSKSA-N 0 3 451.633 3.109 20 0 JGADHN CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](c2cccs2)N(C)C)C1 ZINC001299016184 1064800066 /nfs/dbraw/zinc/80/00/66/1064800066.db2.gz UXMOMIURQYUDRU-IQGLISFBSA-N 0 3 498.653 3.289 20 0 JGADHN CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](c2ccc(F)cc2)N(C)C)C1 ZINC001299020566 1064804150 /nfs/dbraw/zinc/80/41/50/1064804150.db2.gz NWELBJOJMVMISZ-OFVILXPXSA-N 0 3 465.577 3.053 20 0 JGADHN CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2ccc(F)cc2)N(C)C)C1 ZINC001299020567 1064804338 /nfs/dbraw/zinc/80/43/38/1064804338.db2.gz NWELBJOJMVMISZ-PXDATVDWSA-N 0 3 465.577 3.053 20 0 JGADHN CNC(=O)[C@@]1(C)CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC001299029007 1064814401 /nfs/dbraw/zinc/81/44/01/1064814401.db2.gz QTNDNNICXMSVEY-BWKNWUBXSA-N 0 3 481.670 3.208 20 0 JGADHN CO[C@]1(C)CCCN(c2nnc(Cn3nc(C)cc3C)n2CCN(C)Cc2ccccc2)C1 ZINC001299771299 1064968873 /nfs/dbraw/zinc/96/88/73/1064968873.db2.gz IDIJMHWJXRUWAI-RUZDIDTESA-N 0 3 451.619 3.277 20 0 JGADHN COC1(C)CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001299774522 1064975463 /nfs/dbraw/zinc/97/54/63/1064975463.db2.gz FCTYUDRGDXXUEV-FCHUYYIVSA-N 0 3 498.672 3.203 20 0 JGADHN COC1(C)CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)N2CCC[C@@H](C)C2)C1 ZINC001299779272 1064978631 /nfs/dbraw/zinc/97/86/31/1064978631.db2.gz HBNPSXKOXHZBMG-GOSISDBHSA-N 0 3 475.659 3.084 20 0 JGADHN Cc1cnc(CNC(=O)CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)nc1 ZINC001299781069 1064980569 /nfs/dbraw/zinc/98/05/69/1064980569.db2.gz GMRTXJUKICCSBY-UHFFFAOYSA-N 0 3 453.587 3.351 20 0 JGADHN CO[C@@]1(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCN(CC(C)C)CC2)CCOC1 ZINC001299798366 1064996228 /nfs/dbraw/zinc/99/62/28/1064996228.db2.gz NEEWYGRNJSZSQB-JOCHJYFZSA-N 0 3 496.425 3.430 20 0 JGADHN COc1cc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@H]2COCCO2)ccc1OC(C)C ZINC001299858032 1065069545 /nfs/dbraw/zinc/06/95/45/1065069545.db2.gz HDYWLPGWXYSEDZ-HXUWFJFHSA-N 0 3 473.618 3.077 20 0 JGADHN COc1cc(CN(C)c2nnc(C(=O)N3CCCC3)n2CCN2CCC[C@H]2C)ccc1SC ZINC001299870511 1065087850 /nfs/dbraw/zinc/08/78/50/1065087850.db2.gz ZMFLJBDRQVWSSB-GOSISDBHSA-N 0 3 472.659 3.365 20 0 JGADHN COc1cc(Cl)ccc1-c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C(C)C)N1CCCC1 ZINC001299894325 1065124525 /nfs/dbraw/zinc/12/45/25/1065124525.db2.gz BCEILNATUSDPIX-QUCCMNQESA-N 0 3 496.077 3.351 20 0 JGADHN COc1cc(Cl)ccc1-c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(C)C)C1 ZINC001299895219 1065126408 /nfs/dbraw/zinc/12/64/08/1065126408.db2.gz NBUPQNKEOYPUFF-PKOBYXMFSA-N 0 3 496.077 3.351 20 0 JGADHN COc1cc(Cl)ccc1-c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCCC1 ZINC001299895564 1065127152 /nfs/dbraw/zinc/12/71/52/1065127152.db2.gz RDXBTYLJYKJDGP-GOSISDBHSA-N 0 3 482.050 3.106 20 0 JGADHN COc1cc(OC)cc(-c2nnc(N3CCN(CC(C)C)CC3)n2Cc2ccc(F)cn2)c1 ZINC001299951710 1065229346 /nfs/dbraw/zinc/22/93/46/1065229346.db2.gz JXAQJKUAPUBHLW-UHFFFAOYSA-N 0 3 454.550 3.323 20 0 JGADHN COc1ccc(C(C)(C)Cn2c(-c3cnn(C)c3)nnc2N2CCN(CC(C)C)CC2)cc1OC ZINC001299978853 1065275884 /nfs/dbraw/zinc/27/58/84/1065275884.db2.gz LOILCPNSAGVERS-UHFFFAOYSA-N 0 3 481.645 3.452 20 0 JGADHN COc1ccc(C(C)(C)Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(C)(C)C)CC2)cc1 ZINC001299979848 1065278069 /nfs/dbraw/zinc/27/80/69/1065278069.db2.gz XJXUNTBXPSCXNN-UHFFFAOYSA-N 0 3 456.635 3.323 20 0 JGADHN COc1ccc(-c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2CC(C)(C)N2CCC[C@H](C)C2)cc1 ZINC001299995605 1065303264 /nfs/dbraw/zinc/30/32/64/1065303264.db2.gz QUPWEJQMJSLNMJ-OALUTQOASA-N 0 3 477.675 3.334 20 0 JGADHN Cc1ccc(F)c(CN(C)c2nnc([C@@H]3CCCOC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001492211433 1065324436 /nfs/dbraw/zinc/32/44/36/1065324436.db2.gz NQYUDSJYWRCGCV-NFBKMPQASA-N 0 3 486.636 3.199 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N(C)Cc3cscn3)n2C[C@@H]2CCCN2CCCO)cc1C ZINC001492238483 1065332358 /nfs/dbraw/zinc/33/23/58/1065332358.db2.gz RBJDJFDDJHDEMF-NRFANRHFSA-N 0 3 483.642 3.087 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N(C)C[C@H]3CCCOC3)n2C[C@@]2(N(C)C)CCSC2)cc1C ZINC001492240405 1065338050 /nfs/dbraw/zinc/33/80/50/1065338050.db2.gz KSHXCGHHIYXBHJ-NLFFAJNJSA-N 0 3 486.686 3.447 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)[C@@H](C)C3)n2C[C@@H]2CCCN2CCCO)cc1C ZINC001492243986 1065342095 /nfs/dbraw/zinc/34/20/95/1065342095.db2.gz JFBJOTRSMJHVQO-ONTIZHBOSA-N 0 3 454.619 3.086 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCC(CN4CCOCC4)CC3)n2C[C@@](C)(O)C(C)C)cc1C ZINC001492250410 1065350505 /nfs/dbraw/zinc/35/05/05/1065350505.db2.gz MPMAYAJLJWYCET-HHHXNRCGSA-N 0 3 498.672 3.103 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C)[C@@H]3C)n2C[C@@H]2CCCN2CCCO)cc1C ZINC001492250717 1065350737 /nfs/dbraw/zinc/35/07/37/1065350737.db2.gz QAFPJQKRZMSDAS-VCOUNFBDSA-N 0 3 454.619 3.229 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2CCN2CCC[C@@H]2C)cc1C ZINC001492264093 1065356996 /nfs/dbraw/zinc/35/69/96/1065356996.db2.gz DPJNVACLQHPRBU-GMAHTHKFSA-N 0 3 495.672 3.373 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCN(C4CCC(C)CC4)CC3)n2CC(=O)NC(C)C)cc1C ZINC001492266401 1065361664 /nfs/dbraw/zinc/36/16/64/1065361664.db2.gz MCMMCYWKVOZLDG-UHFFFAOYSA-N 0 3 495.672 3.373 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCC[C@H]3C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)cc1C ZINC001492268910 1065364193 /nfs/dbraw/zinc/36/41/93/1065364193.db2.gz ZMIMTSGNZNJBJL-IFMALSPDSA-N 0 3 481.645 3.079 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCN(CCC(C)(C)C)CC3)n2C[C@H]2COCCO2)cc1C ZINC001492269717 1065365534 /nfs/dbraw/zinc/36/55/34/1065365534.db2.gz ZHQYZUVYPCSXEU-QFIPXVFZSA-N 0 3 484.645 3.121 20 0 JGADHN Cc1nnc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1CCN(C)Cc1ccc(F)cc1 ZINC001492282521 1065375789 /nfs/dbraw/zinc/37/57/89/1065375789.db2.gz YGKVVQUVYDJUIK-UHFFFAOYSA-N 0 3 465.577 3.416 20 0 JGADHN Cc1ccc(OCc2nnc(N(C)CC3CC(F)C3)n2CCN2CCN(C)C(C)(C)C2)cc1 ZINC001492329405 1065399792 /nfs/dbraw/zinc/39/97/92/1065399792.db2.gz GUXFNXUHQUHXRT-UHFFFAOYSA-N 0 3 458.626 3.376 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2CCN(C(C)C)C(C)C)cc1 ZINC001492371367 1065435077 /nfs/dbraw/zinc/43/50/77/1065435077.db2.gz PTAZZCUAIWTJFK-JOCHJYFZSA-N 0 3 477.675 3.298 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2CCN(C(C)C)C(C)C)cc1 ZINC001492371368 1065435175 /nfs/dbraw/zinc/43/51/75/1065435175.db2.gz PTAZZCUAIWTJFK-QFIPXVFZSA-N 0 3 477.675 3.298 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(C4CCCCC4)CC3)n2CC(=O)NC(C)C)cc1C ZINC001492386122 1065454820 /nfs/dbraw/zinc/45/48/20/1065454820.db2.gz XXJWCIOFMSZBDQ-UHFFFAOYSA-N 0 3 468.646 3.453 20 0 JGADHN Cc1ccc(OCCN(C)c2nnc(Cc3ccccn3)n2CCN2CCN(C)C(C)(C)C2)cc1 ZINC001492421239 1065482052 /nfs/dbraw/zinc/48/20/52/1065482052.db2.gz ONNNBDXDURTVFL-UHFFFAOYSA-N 0 3 477.657 3.114 20 0 JGADHN Cc1ccc(OCCn2c(C(=O)Nc3ccccn3)nnc2N2CCN(CC(C)C)CC2)cc1 ZINC001492424075 1065482871 /nfs/dbraw/zinc/48/28/71/1065482871.db2.gz DVOROVALOUIWIJ-UHFFFAOYSA-N 0 3 463.586 3.091 20 0 JGADHN Cc1ccc(SCc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2CC(C)(C)CN(C)C)cc1 ZINC001492463604 1065511343 /nfs/dbraw/zinc/51/13/43/1065511343.db2.gz UMPVIHPVJBOIJK-HXUWFJFHSA-N 0 3 479.716 3.480 20 0 JGADHN Cc1ccc(SCc2nnc(N3CCNC(=O)C3)n2C[C@@H](c2cccs2)N(C)C)cc1 ZINC001492468078 1065515821 /nfs/dbraw/zinc/51/58/21/1065515821.db2.gz URUBLQMVXVNBMX-SFHVURJKSA-N 0 3 456.641 3.179 20 0 JGADHN Cc1cccc(C(=O)NCCn2c([C@H]3CCCCO3)nnc2N2CCN(CC(C)C)CC2)c1 ZINC001492477942 1065523663 /nfs/dbraw/zinc/52/36/63/1065523663.db2.gz ANXDPIDZTLLSSB-JOCHJYFZSA-N 0 3 454.619 3.036 20 0 JGADHN COCC(C)(C)Cn1c(CCCc2ccccc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001300946631 1065750434 /nfs/dbraw/zinc/75/04/34/1065750434.db2.gz LEHWWDUYMWHHLZ-UHFFFAOYSA-N 0 3 455.647 3.427 20 0 JGADHN COC[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CCCC2)CC1)OC ZINC001301035564 1065876992 /nfs/dbraw/zinc/87/69/92/1065876992.db2.gz VVHLKSMTCXFNMY-RTWAWAEBSA-N 0 3 492.665 3.076 20 0 JGADHN COC[C@@H](F)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001301066272 1065916853 /nfs/dbraw/zinc/91/68/53/1065916853.db2.gz JFJZJROGIMJKFW-GHTZIAJQSA-N 0 3 461.582 3.333 20 0 JGADHN COCC1(C)CCN(c2nnc(Cc3ccsc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001301098583 1065945760 /nfs/dbraw/zinc/94/57/60/1065945760.db2.gz HXZYRNIXKLVJLQ-OAQYLSRUSA-N 0 3 488.702 3.126 20 0 JGADHN COCc1ccc(Cn2c(N3C[C@H](N4CCCN(C(C)=O)CC4)[C@@H](C)C3)nnc2C(C)(C)C)cc1 ZINC001301165458 1066001559 /nfs/dbraw/zinc/00/15/59/1066001559.db2.gz XBCONWFMJUMJHA-RDPSFJRHSA-N 0 3 482.673 3.149 20 0 JGADHN COCc1ccc(Cn2c(N3C[C@@H](C)[C@@H](N4CCCN(C(C)=O)CC4)C3)nnc2C(C)(C)C)cc1 ZINC001301165460 1066001686 /nfs/dbraw/zinc/00/16/86/1066001686.db2.gz XBCONWFMJUMJHA-YKSBVNFPSA-N 0 3 482.673 3.149 20 0 JGADHN COCC1=CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 ZINC001301179686 1066010769 /nfs/dbraw/zinc/01/07/69/1066010769.db2.gz BLSWPBPCWHFEJH-QFIPXVFZSA-N 0 3 475.597 3.320 20 0 JGADHN COCC1=CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 ZINC001301199193 1066025318 /nfs/dbraw/zinc/02/53/18/1066025318.db2.gz HPQXXSKPKJYNGF-QHCPKHFHSA-N 0 3 467.593 3.365 20 0 JGADHN COC[C@@H]1CCCCN(c2nnc(Cc3ccccc3OC)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001301247424 1066064490 /nfs/dbraw/zinc/06/44/90/1066064490.db2.gz DROSRUQNPAPPES-JOCHJYFZSA-N 0 3 484.689 3.156 20 0 JGADHN COC[C@@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[C@@H](C)N2CCCCC2)C1 ZINC001301266040 1066081761 /nfs/dbraw/zinc/08/17/61/1066081761.db2.gz OIOIJURAYKBKJJ-NHCUHLMSSA-N 0 3 489.686 3.476 20 0 JGADHN COC[C@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](c2ccccc2)N(C)C)C1 ZINC001301283072 1066091155 /nfs/dbraw/zinc/09/11/55/1066091155.db2.gz NMTITJATUUZYMT-FPOVZHCZSA-N 0 3 482.654 3.435 20 0 JGADHN COC[C@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2N(C)CCCC2(C)C)CCO1 ZINC001301345100 1066136004 /nfs/dbraw/zinc/13/60/04/1066136004.db2.gz FIUDSTJJSOCYJK-FGZHOGPDSA-N 0 3 484.645 3.119 20 0 JGADHN COC[C@@H]1CN(c2nnc(Cc3cccnc3)n2C[C@H](c2ccc(C)cc2)N(C)C)C[C@H](C)O1 ZINC001301397815 1066178780 /nfs/dbraw/zinc/17/87/80/1066178780.db2.gz VKJOYFRKKNIFAR-NKKJXINNSA-N 0 3 464.614 3.115 20 0 JGADHN COC[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCN(C)Cc2ccc(F)cc2)C[C@@H](C)O1 ZINC001301398365 1066179457 /nfs/dbraw/zinc/17/94/57/1066179457.db2.gz CYLYXQQLUIXNEI-GCJKJVERSA-N 0 3 473.618 3.442 20 0 JGADHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(Br)c2)n1CCCN1CCCC1 ZINC001301981643 1066289817 /nfs/dbraw/zinc/28/98/17/1066289817.db2.gz HLMAAXZHPFNBGV-SJORKVTESA-N 0 3 498.491 3.451 20 0 JGADHN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCN1CCCCC1 ZINC001301993475 1066318023 /nfs/dbraw/zinc/31/80/23/1066318023.db2.gz WDVBVXPMODGEKS-SFTDATJTSA-N 0 3 499.685 3.265 20 0 JGADHN CC(C)(C(=O)NC[C@H]1CCCN(CC2CC2)C1)S(=O)(=O)c1ccc(Br)cc1 ZINC001301503892 1066330144 /nfs/dbraw/zinc/33/01/44/1066330144.db2.gz NFKFNLCBMVAQOU-MRXNPFEDSA-N 0 3 457.434 3.240 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CC=C(C)CC2)n1Cc1ccccc1CN1CCC(O)CC1 ZINC001302001014 1066334879 /nfs/dbraw/zinc/33/48/79/1066334879.db2.gz QYRGDHTYKVTLSK-NRFANRHFSA-N 0 3 469.630 3.164 20 0 JGADHN C[C@H]([C@H](C)N(C)c1nnc(CCc2ccccc2)n1CC1(N(C)C)CCCC1)S(C)(=O)=O ZINC001302003515 1066338735 /nfs/dbraw/zinc/33/87/35/1066338735.db2.gz OOHKPKPVVHCHHR-VQTJNVASSA-N 0 3 461.676 3.196 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CC[C@@H](c3ccccc3C)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001302017246 1066367326 /nfs/dbraw/zinc/36/73/26/1066367326.db2.gz SCNYDQJNRWBCKQ-XZOQPEGZSA-N 0 3 484.689 3.330 20 0 JGADHN CC(C)(C)c1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CCC[C@@H]2NC(=O)NC2=O)cc1 ZINC001302030890 1066396293 /nfs/dbraw/zinc/39/62/93/1066396293.db2.gz UXULPZMIDGSHKF-FQEVSTJZSA-N 0 3 481.645 3.151 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCC3(C2)CCCCC3)n1CCN1CCN(C)C(C)(C)C1 ZINC001302034793 1066403878 /nfs/dbraw/zinc/40/38/78/1066403878.db2.gz CSMZVYPMVHEVOS-OAQYLSRUSA-N 0 3 462.683 3.189 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@H]1CCCCN1C1CC1 ZINC001302052953 1066443122 /nfs/dbraw/zinc/44/31/22/1066443122.db2.gz GQMLFAXGONEXHY-RZUBCFFCSA-N 0 3 490.693 3.150 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCC[C@H](C)C2)n1Cc1ccccc1CN1CCC(O)CC1 ZINC001302053192 1066443790 /nfs/dbraw/zinc/44/37/90/1066443790.db2.gz QZFQKCUBXBOZSS-LEWJYISDSA-N 0 3 471.646 3.243 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1C[C@@H](c1cccs1)N(C)C ZINC001302070928 1066477563 /nfs/dbraw/zinc/47/75/63/1066477563.db2.gz FHDPHHAREACVNH-YRPNKDGESA-N 0 3 463.648 3.372 20 0 JGADHN COCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001301628977 1066487926 /nfs/dbraw/zinc/48/79/26/1066487926.db2.gz CGHURIRRENLUSQ-UHFFFAOYSA-N 0 3 496.425 3.432 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001302080441 1066496693 /nfs/dbraw/zinc/49/66/93/1066496693.db2.gz PHRZMZBPWWDTIK-GOSISDBHSA-N 0 3 490.615 3.197 20 0 JGADHN CC(C)(C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCc1nc(C(F)(F)F)cs1 ZINC001302086635 1066510821 /nfs/dbraw/zinc/51/08/21/1066510821.db2.gz AKRVESRYRWNPES-UHFFFAOYSA-N 0 3 499.607 3.038 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1Cc1ccc(Cl)cc1F ZINC001302089182 1066515528 /nfs/dbraw/zinc/51/55/28/1066515528.db2.gz LLJQSYQLOIXELU-ROUUACIJSA-N 0 3 482.000 3.001 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCN(C3CCOCC3)CC2)n1Cc1ccc(C(F)(F)F)cc1 ZINC001302092801 1066520788 /nfs/dbraw/zinc/52/07/88/1066520788.db2.gz KEXQRCFRQQJMHW-GOSISDBHSA-N 0 3 497.562 3.370 20 0 JGADHN COCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001301653358 1066522353 /nfs/dbraw/zinc/52/23/53/1066522353.db2.gz QJHGORAKBSHCNM-UHFFFAOYSA-N 0 3 457.619 3.059 20 0 JGADHN COCCCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCN(C(C)(C)C)CC2)cc1 ZINC001301670736 1066548205 /nfs/dbraw/zinc/54/82/05/1066548205.db2.gz HUXYVSVRBBDGBV-UHFFFAOYSA-N 0 3 465.602 3.119 20 0 JGADHN CC(=O)N1CCC(Cn2c(COc3cccc(C)c3)nnc2N2CCN(CC(C)C)CC2)CC1 ZINC001301671943 1066550607 /nfs/dbraw/zinc/55/06/07/1066550607.db2.gz NMDMCHGTPKCXDS-UHFFFAOYSA-N 0 3 468.646 3.202 20 0 JGADHN COCCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCCC(C)(C)C1 ZINC001301681379 1066564076 /nfs/dbraw/zinc/56/40/76/1066564076.db2.gz BLFUGZQJQMJOJH-UHFFFAOYSA-N 0 3 463.026 3.066 20 0 JGADHN CC(=O)N1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001301701702 1066590580 /nfs/dbraw/zinc/59/05/80/1066590580.db2.gz YTKVRHVZKSXKSE-QHCPKHFHSA-N 0 3 465.577 3.149 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3CCC[C@@H]3CCCCO3)C[C@H]2C)CC1 ZINC001301707325 1066597752 /nfs/dbraw/zinc/59/77/52/1066597752.db2.gz BWTMRDIGSNQRKL-AKIFATBCSA-N 0 3 474.694 3.304 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(Cc4ccsc4)n3CCCOC(C)C)C[C@H]2C)CC1 ZINC001301707682 1066598151 /nfs/dbraw/zinc/59/81/51/1066598151.db2.gz FAHBHPJWSSKQIR-OFNKIYASSA-N 0 3 488.702 3.124 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cccn4C)n3CCCC(C)(C)C)C[C@H]2C)CC1 ZINC001301708191 1066599117 /nfs/dbraw/zinc/59/91/17/1066599117.db2.gz JIXVPIISZWBDJJ-NFBKMPQASA-N 0 3 469.678 3.489 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3CCCOc3ccccc3)C[C@@H]2C)CC1 ZINC001301708296 1066599916 /nfs/dbraw/zinc/59/99/16/1066599916.db2.gz KVVNWQHAKNDLJJ-XUZZJYLKSA-N 0 3 468.646 3.250 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3C[C@@H](C)Oc3ccccc3F)C[C@@H]2C)CC1 ZINC001301708284 1066600132 /nfs/dbraw/zinc/60/01/32/1066600132.db2.gz KTWABRMWDZVYRF-MIZPHKNDSA-N 0 3 486.636 3.387 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)C)n3C[C@H]3CCCCS3)C[C@H]2C)CC1 ZINC001301709376 1066602730 /nfs/dbraw/zinc/60/27/30/1066602730.db2.gz UQTJDSIRTPBQSX-CEMLEFRQSA-N 0 3 462.708 3.141 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3CCCC(F)(F)F)C[C@@H]2C)CC1 ZINC001301709602 1066603521 /nfs/dbraw/zinc/60/35/21/1066603521.db2.gz UVHILTQHJRXZKH-FUHWJXTLSA-N 0 3 458.573 3.297 20 0 JGADHN COCCO[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccccc2)N(C)C)C1 ZINC001302158296 1066614215 /nfs/dbraw/zinc/61/42/15/1066614215.db2.gz YGYVFRDTROXJCE-DNVJHFABSA-N 0 3 457.619 3.107 20 0 JGADHN COCCO[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC001302159219 1066616135 /nfs/dbraw/zinc/61/61/35/1066616135.db2.gz KZKBZLTUSMMASD-RJGXRXQPSA-N 0 3 457.619 3.373 20 0 JGADHN COCCN(C)CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001301722391 1066630353 /nfs/dbraw/zinc/63/03/53/1066630353.db2.gz OUXCKUWGPUETCU-URKHTJIESA-N 0 3 471.646 3.210 20 0 JGADHN COCCN(C)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@]2(C1)CCCOC2 ZINC001301723072 1066631697 /nfs/dbraw/zinc/63/16/97/1066631697.db2.gz VCAWIAIIBPTWOG-NTKDMRAZSA-N 0 3 461.582 3.142 20 0 JGADHN COCCN(C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001301730495 1066649088 /nfs/dbraw/zinc/64/90/88/1066649088.db2.gz AUDHUHZHZZSUFI-AQNXPRMDSA-N 0 3 476.666 3.063 20 0 JGADHN COCCN(C)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC(C(C)C)CC1 ZINC001301730472 1066649151 /nfs/dbraw/zinc/64/91/51/1066649151.db2.gz AAZJMYKHUFXVGX-UHFFFAOYSA-N 0 3 453.591 3.045 20 0 JGADHN COCCN(C)CCn1c(C2CCCC2)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 ZINC001301730570 1066649243 /nfs/dbraw/zinc/64/92/43/1066649243.db2.gz CLUZYPDQIBHOLC-UHFFFAOYSA-N 0 3 460.667 3.133 20 0 JGADHN COCCN(C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCCN(c2nccs2)CC1 ZINC001301732692 1066652151 /nfs/dbraw/zinc/65/21/51/1066652151.db2.gz BUDZVOIHUKJQKU-UHFFFAOYSA-N 0 3 490.077 3.274 20 0 JGADHN CC(C)(C)Cc1nnc(N2CCN(CCCOCC(F)(F)F)CC2)n1C[C@H]1CCn2ccnc2C1 ZINC001302177454 1066653135 /nfs/dbraw/zinc/65/31/35/1066653135.db2.gz WXKVGLNWVKRMCY-IBGZPJMESA-N 0 3 497.610 3.417 20 0 JGADHN COCCN(C)CCn1c(C2CCC2)nnc1N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC001301732915 1066653341 /nfs/dbraw/zinc/65/33/41/1066653341.db2.gz XEWXRKUAONGHBZ-FQEVSTJZSA-N 0 3 451.974 3.494 20 0 JGADHN CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](c2cccs2)N(C)C)[C@@H](C)C1 ZINC001301734347 1066655271 /nfs/dbraw/zinc/65/52/71/1066655271.db2.gz QPLJCEGSTOATAZ-PXNSSMCTSA-N 0 3 453.616 3.070 20 0 JGADHN COCCN(C)CCn1c(CC(C)(C)C)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 ZINC001301735334 1066657311 /nfs/dbraw/zinc/65/73/11/1066657311.db2.gz YPHBGNVSATXZNY-UHFFFAOYSA-N 0 3 463.070 3.421 20 0 JGADHN CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2ccc(F)cc2)N(C)C)[C@@H](C)C1 ZINC001301735436 1066657326 /nfs/dbraw/zinc/65/73/26/1066657326.db2.gz ZQFKZIDSQIFWQC-FDDCHVKYSA-N 0 3 465.577 3.148 20 0 JGADHN COCCN(C)CCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC001301736899 1066658661 /nfs/dbraw/zinc/65/86/61/1066658661.db2.gz QDNXMXPCUUQMMT-JOCHJYFZSA-N 0 3 471.005 3.073 20 0 JGADHN COCCN(C)CCn1c(Cc2ccncc2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C ZINC001301737125 1066659458 /nfs/dbraw/zinc/65/94/58/1066659458.db2.gz UTIIXEKMAVIPSB-KRWDZBQOSA-N 0 3 456.541 3.244 20 0 JGADHN COCCN(C)CCn1c(N2CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001301739531 1066660009 /nfs/dbraw/zinc/66/00/09/1066660009.db2.gz AIRGGGAARSGGPU-OALUTQOASA-N 0 3 466.671 3.283 20 0 JGADHN COCCN(C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)Cc1ccc(C)o1 ZINC001301739619 1066660705 /nfs/dbraw/zinc/66/07/05/1066660705.db2.gz CBEZXVGBKSTXHB-FQEVSTJZSA-N 0 3 476.622 3.466 20 0 JGADHN COCCN(C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)OC1CCCC1 ZINC001301741980 1066664373 /nfs/dbraw/zinc/66/43/73/1066664373.db2.gz SVXJHWNBAGDOAX-IBGZPJMESA-N 0 3 466.627 3.239 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc([C@H]3CCOC3)n2CCC(=O)Nc2ccccc2)CC1 ZINC001302191769 1066674800 /nfs/dbraw/zinc/67/48/00/1066674800.db2.gz AZLPUQSSKGVECL-FQEVSTJZSA-N 0 3 454.619 3.369 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(Cc3ccccc3F)n2CCCCN2CCOCC2)CC1 ZINC001302202906 1066698759 /nfs/dbraw/zinc/69/87/59/1066698759.db2.gz LACSUXHTCVTEDD-UHFFFAOYSA-N 0 3 458.626 3.041 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCSC2)CC1 ZINC001302203704 1066700640 /nfs/dbraw/zinc/70/06/40/1066700640.db2.gz VUSFBEDUCRXRTO-QGZVFWFLSA-N 0 3 462.689 3.333 20 0 JGADHN CC(=O)Nc1ccc(CCn2c(C(=O)NC(C)C)nnc2N2CCN(CC3CCCCC3)CC2)cc1 ZINC001301774152 1066719147 /nfs/dbraw/zinc/71/91/47/1066719147.db2.gz AZHXWHDTFAXNEN-UHFFFAOYSA-N 0 3 495.672 3.320 20 0 JGADHN COCCOCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(CC(C)C)CC1 ZINC001302221925 1066729424 /nfs/dbraw/zinc/72/94/24/1066729424.db2.gz FQJUFFOZGHIZCY-UHFFFAOYSA-N 0 3 480.451 3.457 20 0 JGADHN Cc1cccc(CN2CC[C@H](NC(=O)CCc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)c1 ZINC001301781491 1066731029 /nfs/dbraw/zinc/73/10/29/1066731029.db2.gz DXSZOUVQQVUYAJ-QHCPKHFHSA-N 0 3 455.624 3.103 20 0 JGADHN CC(=O)NC1CCC(N(C)c2nnc(Cc3cccnc3)n2C[C@H](c2ccccc2)N(C)C)CC1 ZINC001301808223 1066763251 /nfs/dbraw/zinc/76/32/51/1066763251.db2.gz PLMVVFLJYVGNBQ-DDJHWDJXSA-N 0 3 475.641 3.450 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccccc2Cl)n1CCN1CCN(C)C(C)(C)C1 ZINC001302252869 1066792462 /nfs/dbraw/zinc/79/24/62/1066792462.db2.gz CKBFDNXOBHPGDF-UNMCSNQZSA-N 0 3 491.080 3.318 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H]2CCCCO2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001302259035 1066804712 /nfs/dbraw/zinc/80/47/12/1066804712.db2.gz FLQWDDYGTAPHLH-MALNDZBISA-N 0 3 475.609 3.449 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@H](C)OC(C)(C)C2)n1C[C@H](c1ccccc1)N(C)C ZINC001302271203 1066829625 /nfs/dbraw/zinc/82/96/25/1066829625.db2.gz CGJBZTZDDIUBCJ-UVUJQTEASA-N 0 3 457.619 3.309 20 0 JGADHN CC(C)(C)OC(=O)NCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001302273342 1066833212 /nfs/dbraw/zinc/83/32/12/1066833212.db2.gz PYZJJBLMJFAYSO-UHFFFAOYSA-N 0 3 496.454 3.481 20 0 JGADHN CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@H](c2cccc(F)c2)N(C)C)C1 ZINC001301858484 1066841051 /nfs/dbraw/zinc/84/10/51/1066841051.db2.gz OWSKDQSAXBBZGB-WMZHIEFXSA-N 0 3 467.593 3.078 20 0 JGADHN CC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC001301871671 1066865956 /nfs/dbraw/zinc/86/59/56/1066865956.db2.gz FIDYLZAUWOJPIK-MDNUFGMLSA-N 0 3 454.619 3.093 20 0 JGADHN CC(C)(C)O[C@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CC=CCC2)C1 ZINC001302299204 1066883162 /nfs/dbraw/zinc/88/31/62/1066883162.db2.gz SVYCPTSFMXULCQ-IBGZPJMESA-N 0 3 472.659 3.315 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccc(OC(C)C)nc1 ZINC001302305563 1066894791 /nfs/dbraw/zinc/89/47/91/1066894791.db2.gz QMRPDDRMTKJTAW-UNMCSNQZSA-N 0 3 472.634 3.153 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1cccc(C(C)(C)O)c1 ZINC001302306097 1066895693 /nfs/dbraw/zinc/89/56/93/1066895693.db2.gz WLKLYLXZPBUMFW-UNMCSNQZSA-N 0 3 471.646 3.198 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(CC(C)C)CC2)n1C[C@@H]1CCCO[C@H]1C(C)C ZINC001302310417 1066903680 /nfs/dbraw/zinc/90/36/80/1066903680.db2.gz ANLIGZGQBWUNLM-MLCQCVOFSA-N 0 3 463.667 3.231 20 0 JGADHN COCCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CN(CC(C)C)CCO2)C[C@@H]1C ZINC001301888783 1066904948 /nfs/dbraw/zinc/90/49/48/1066904948.db2.gz PHIGIMWNLZFYPZ-NZQKXSOJSA-N 0 3 491.080 3.112 20 0 JGADHN COCCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccccc2Cl)N(C)C)C[C@@H]1C ZINC001301910467 1066934790 /nfs/dbraw/zinc/93/47/90/1066934790.db2.gz CNSCCGKWGHEVDS-MZKRTTBSSA-N 0 3 491.080 3.285 20 0 JGADHN COCCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](c2cccc(F)c2)N(C)C)C[C@H]1C ZINC001301911971 1066938272 /nfs/dbraw/zinc/93/82/72/1066938272.db2.gz JABYNOZOBJLWHK-PTUXOGIPSA-N 0 3 474.625 3.119 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)c2cccc(F)c2)CC1 ZINC001302345146 1066942256 /nfs/dbraw/zinc/94/22/56/1066942256.db2.gz LNRHBHIESXNAHO-UHFFFAOYSA-N 0 3 456.610 3.438 20 0 JGADHN CON(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](c1cccs1)N1CCCC1 ZINC001302349158 1066944314 /nfs/dbraw/zinc/94/43/14/1066944314.db2.gz UVCDGAZTOUNVEJ-ZWKOTPCHSA-N 0 3 492.646 3.483 20 0 JGADHN CO[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001302388778 1066969741 /nfs/dbraw/zinc/96/97/41/1066969741.db2.gz APCTZBCHUNOZPS-RXVVDRJESA-N 0 3 477.053 3.323 20 0 JGADHN CC(C)C(=O)N1CCCN(c2nnc(-c3cccnc3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 ZINC001302393054 1066972341 /nfs/dbraw/zinc/97/23/41/1066972341.db2.gz CCICEMGFGHDYJF-QHCPKHFHSA-N 0 3 479.604 3.477 20 0 JGADHN COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccccn3)n2C[C@@H](c2ccsc2)N(C)C)C1 ZINC001301935895 1066977298 /nfs/dbraw/zinc/97/72/98/1066977298.db2.gz BAAIBCRCBLCUHW-JQVVWYNYSA-N 0 3 497.669 3.072 20 0 JGADHN CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(-c2cccc(C)n2)n1CCN1CC=CCC1 ZINC001301941446 1066989295 /nfs/dbraw/zinc/98/92/95/1066989295.db2.gz PPPCOFZASZDXDN-UHFFFAOYSA-N 0 3 479.654 3.423 20 0 JGADHN CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2ccsc2)N(C)C)C1 ZINC001302432589 1067022421 /nfs/dbraw/zinc/02/24/21/1067022421.db2.gz YHXXNQSMGCDBKN-NQIIRXRSSA-N 0 3 484.674 3.032 20 0 JGADHN CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc(Br)cc3)n2CCCN2CCCC2)C1 ZINC001302433426 1067024237 /nfs/dbraw/zinc/02/42/37/1067024237.db2.gz BHSJDOGBFGSHBT-IBGZPJMESA-N 0 3 496.475 3.207 20 0 JGADHN CC(C)C(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2ccccc2)N(C)C)C1 ZINC001302436607 1067031677 /nfs/dbraw/zinc/03/16/77/1067031677.db2.gz YWNHQRTWJKJPTM-XWGVYQGASA-N 0 3 482.673 3.464 20 0 JGADHN CC(C)[C@@](C)(O)Cn1c(-c2cccnc2)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC001302490349 1067091310 /nfs/dbraw/zinc/09/13/10/1067091310.db2.gz ZDEIDMXAURDHCZ-MHZLTWQESA-N 0 3 477.657 3.001 20 0 JGADHN Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCN(CC(C)C)CC2)n1CCCOC(C)C ZINC001304060114 1067104246 /nfs/dbraw/zinc/10/42/46/1067104246.db2.gz XBCDMOONCWZUCN-UHFFFAOYSA-N 0 3 491.706 3.140 20 0 JGADHN CC(C)[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCCS(C)(=O)=O)N1CCCC1 ZINC001302511979 1067124130 /nfs/dbraw/zinc/12/41/30/1067124130.db2.gz AGOHFYSIKAFSAS-QHCPKHFHSA-N 0 3 484.670 3.485 20 0 JGADHN CC(C)[C@@H](Cn1c(CCc2ccccc2)nnc1N1CCC(S(C)(=O)=O)CC1)N1CCCC1 ZINC001302528219 1067156218 /nfs/dbraw/zinc/15/62/18/1067156218.db2.gz HLMVLJIJNIFJKK-HSZRJFAPSA-N 0 3 473.687 3.197 20 0 JGADHN CSC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001302530900 1067159497 /nfs/dbraw/zinc/15/94/97/1067159497.db2.gz IFAXRNBKASATFS-UHFFFAOYSA-N 0 3 464.705 3.324 20 0 JGADHN CSC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001302535385 1067164925 /nfs/dbraw/zinc/16/49/25/1067164925.db2.gz UMVOXHYMFFWOSX-SFHVURJKSA-N 0 3 463.623 3.296 20 0 JGADHN CC(C)c1ccccc1OCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001302536660 1067168414 /nfs/dbraw/zinc/16/84/14/1067168414.db2.gz JYNGUEHUIWBJEM-FQEVSTJZSA-N 0 3 454.619 3.352 20 0 JGADHN CS[C@@H](C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC(C)C)CC1 ZINC001302542123 1067173737 /nfs/dbraw/zinc/17/37/37/1067173737.db2.gz RJEJKLIBCBSGGQ-KRWDZBQOSA-N 0 3 465.067 3.391 20 0 JGADHN CS[C@H](C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001302542635 1067174875 /nfs/dbraw/zinc/17/48/75/1067174875.db2.gz UGXRLYXHKOKCAG-QYZOEREBSA-N 0 3 463.623 3.467 20 0 JGADHN CS[C@@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC001302542955 1067175327 /nfs/dbraw/zinc/17/53/27/1067175327.db2.gz WGTUPKFIBCUYAZ-XBMUEBEBSA-N 0 3 457.648 3.378 20 0 JGADHN COC(=O)[C@@](C)(Cn1cnc2ccccc21)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001304136446 1067175399 /nfs/dbraw/zinc/17/53/99/1067175399.db2.gz ZSLXKUWYRDBIMA-UQBPGWFLSA-N 0 3 452.530 3.136 20 0 JGADHN CS[C@H](C)Cn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001302545232 1067178932 /nfs/dbraw/zinc/17/89/32/1067178932.db2.gz HMIRPIRUIPHNGV-KNKQGSTJSA-N 0 3 456.660 3.076 20 0 JGADHN CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)CCN2CCN(c3cccc(Cl)c3)CC2)C1 ZINC001302550314 1067186521 /nfs/dbraw/zinc/18/65/21/1067186521.db2.gz WEMXHPLWAZUABW-UAPYVXQJSA-N 0 3 451.011 3.272 20 0 JGADHN CC(C)c1ncc(CN(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)CN(C)C)cn1 ZINC001302553500 1067191162 /nfs/dbraw/zinc/19/11/62/1067191162.db2.gz ZDNUEDNZNYHWQR-UHFFFAOYSA-N 0 3 499.685 3.486 20 0 JGADHN CC(C)c1nnc(N(C)[C@H]2CCCN(c3ccccc3)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001302567936 1067207313 /nfs/dbraw/zinc/20/73/13/1067207313.db2.gz CIFLWSYVXIFGEW-BJKOFHAPSA-N 0 3 481.689 3.449 20 0 JGADHN CC(C)c1nnc(N(C)[C@@H]2CCCN(c3ccccc3)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001302567941 1067207361 /nfs/dbraw/zinc/20/73/61/1067207361.db2.gz CIFLWSYVXIFGEW-RPWUZVMVSA-N 0 3 481.689 3.449 20 0 JGADHN CC(C)CNC(=O)N1CCC[C@H](CC(=O)N2CCCN(Cc3ccccc3)CCOCC2)C1 ZINC001304166471 1067213328 /nfs/dbraw/zinc/21/33/28/1067213328.db2.gz XTMFEMHSJDFTKQ-XMMPIXPASA-N 0 3 458.647 3.205 20 0 JGADHN CS[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(CN2CCOCC2)CC1)C(C)(C)C ZINC001302579989 1067217632 /nfs/dbraw/zinc/21/76/32/1067217632.db2.gz LDFYUOLLRBRYTM-LEWJYISDSA-N 0 3 465.708 3.498 20 0 JGADHN CS[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCCC2)CC1)C(C)(C)C ZINC001302579624 1067217728 /nfs/dbraw/zinc/21/77/28/1067217728.db2.gz KXQPVTUKJAFXLJ-PKOBYXMFSA-N 0 3 486.752 3.121 20 0 JGADHN CS[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCCC2)CC1)C(C)(C)C ZINC001302579622 1067217817 /nfs/dbraw/zinc/21/78/17/1067217817.db2.gz KXQPVTUKJAFXLJ-IEBWSBKVSA-N 0 3 486.752 3.121 20 0 JGADHN CSC1(Cn2c(C(=O)NC(C)C)nnc2N2CCCN(Cc3ccccc3)CC2)CCOCC1 ZINC001302590712 1067228003 /nfs/dbraw/zinc/22/80/03/1067228003.db2.gz KHJCSPWFBKHTNE-UHFFFAOYSA-N 0 3 486.686 3.041 20 0 JGADHN CC(C)c1nnc(N(C)CCN2C(=O)c3ccccc3C2=O)n1C[C@H](c1cccs1)N(C)C ZINC001302592957 1067230496 /nfs/dbraw/zinc/23/04/96/1067230496.db2.gz HMNKLAUJMBVJMP-LJQANCHMSA-N 0 3 466.611 3.498 20 0 JGADHN Cc1cc(C)cc(OCc2nnc(N3CCN(C4CCCC4)CC3)n2CCNC(=O)C(C)C)c1 ZINC001304182187 1067231638 /nfs/dbraw/zinc/23/16/38/1067231638.db2.gz KVIHBEHKTTZUMA-UHFFFAOYSA-N 0 3 468.646 3.311 20 0 JGADHN CSC1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCN(CC(C)C)CC2)CC1 ZINC001302599106 1067235353 /nfs/dbraw/zinc/23/53/53/1067235353.db2.gz DVXSZSJLJAOXTN-UHFFFAOYSA-N 0 3 463.673 3.022 20 0 JGADHN Cc1cc(C)cc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CCCN2C[C@H](C)C[C@@H](C)C2)c1 ZINC001304185033 1067235631 /nfs/dbraw/zinc/23/56/31/1067235631.db2.gz SBKJHOBQFZHHSO-FGZHOGPDSA-N 0 3 489.686 3.077 20 0 JGADHN Cc1cc(C)nc(N2CCN(c3nnc(CC(C)C)n3CCN(C)Cc3ccc(F)cc3)CC2)n1 ZINC001304191983 1067242699 /nfs/dbraw/zinc/24/26/99/1067242699.db2.gz VWTYOCQTGGRFDB-UHFFFAOYSA-N 0 3 480.636 3.481 20 0 JGADHN Cc1cc(-c2nnc(N(C)CCS(C)(=O)=O)n2C[C@@H](C)N2CCC[C@@H](C)C2)c2ccccc2n1 ZINC001304192252 1067243165 /nfs/dbraw/zinc/24/31/65/1067243165.db2.gz NZPYFMUGQRZKCB-UYAOXDASSA-N 0 3 484.670 3.403 20 0 JGADHN CC(C)c1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CCC(=O)Nc1ccccc1 ZINC001302632703 1067261624 /nfs/dbraw/zinc/26/16/24/1067261624.db2.gz HYBVNJANTNVEDJ-QFIPXVFZSA-N 0 3 453.635 3.035 20 0 JGADHN Cc1cccc([C@H](NC(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)C(=O)OC(C)(C)C)c1 ZINC001304240544 1067278134 /nfs/dbraw/zinc/27/81/34/1067278134.db2.gz ZEKMVCQWRLPMNM-NRFANRHFSA-N 0 3 452.555 3.425 20 0 JGADHN CC(C)c1nnc(N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001302654058 1067281370 /nfs/dbraw/zinc/28/13/70/1067281370.db2.gz AVGUBBCYIBEHNA-HXUWFJFHSA-N 0 3 477.698 3.169 20 0 JGADHN CS[C@H]1CCCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(N(C)C)CCSC2)C1 ZINC001302663581 1067290438 /nfs/dbraw/zinc/29/04/38/1067290438.db2.gz OSTWYJXTDIPKKG-HTAPYJJXSA-N 0 3 475.688 3.085 20 0 JGADHN CS[C@H]1CCCCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(C)Cc2ccc(F)cc2)C1 ZINC001302670747 1067296774 /nfs/dbraw/zinc/29/67/74/1067296774.db2.gz BGNIYMHFKRPCDT-VQTJNVASSA-N 0 3 460.623 3.222 20 0 JGADHN CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1Cc1cccc(C(F)(F)F)c1 ZINC001302673172 1067298817 /nfs/dbraw/zinc/29/88/17/1067298817.db2.gz BSQBKCKPZGSEIK-LJQANCHMSA-N 0 3 464.536 3.211 20 0 JGADHN CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1Cc1ccccc1OCC(F)(F)F ZINC001302674155 1067299837 /nfs/dbraw/zinc/29/98/37/1067299837.db2.gz JSYHLGLVGHEYHI-LJQANCHMSA-N 0 3 494.562 3.134 20 0 JGADHN CC(C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@H](c1ccccc1Cl)N(C)C ZINC001302675583 1067301016 /nfs/dbraw/zinc/30/10/16/1067301016.db2.gz YROGVQAYAQGTRV-QFIPXVFZSA-N 0 3 488.080 3.102 20 0 JGADHN CC(C)c1nnc(N2CCN(c3ncc(F)cn3)CC2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001302685975 1067311372 /nfs/dbraw/zinc/31/13/72/1067311372.db2.gz VMULZICMLSVACS-FQEVSTJZSA-N 0 3 456.545 3.099 20 0 JGADHN CSCc1cccc(Cn2c(C(C)C)nnc2N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC001302686198 1067311624 /nfs/dbraw/zinc/31/16/24/1067311624.db2.gz DZOSWOXKNRPKPD-OAQYLSRUSA-N 0 3 456.660 3.056 20 0 JGADHN Cc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](C3CCOCC3)C2)N(C)C)cc1 ZINC001304276533 1067314670 /nfs/dbraw/zinc/31/46/70/1067314670.db2.gz SIDIEOROUNWPFR-DHIUTWEWSA-N 0 3 468.646 3.281 20 0 JGADHN Cc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](C3CCOCC3)C2)N(C)C)cc1 ZINC001304276536 1067315270 /nfs/dbraw/zinc/31/52/70/1067315270.db2.gz SIDIEOROUNWPFR-XZOQPEGZSA-N 0 3 468.646 3.281 20 0 JGADHN Cc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H]2c2cnn(C)c2)N(C)C)cc1 ZINC001304277593 1067316384 /nfs/dbraw/zinc/31/63/84/1067316384.db2.gz XSJXMVCSXAAOCZ-FGZHOGPDSA-N 0 3 464.618 3.103 20 0 JGADHN Cc1ccc([C@H](Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C(F)(F)F)C2)N(C)C)cc1 ZINC001304277797 1067316767 /nfs/dbraw/zinc/31/67/67/1067316767.db2.gz FXKYWXMVZRYXBD-CEXWTWQISA-N 0 3 453.509 3.161 20 0 JGADHN Cc1ccc([C@@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)N(C)C)cc1 ZINC001304278082 1067317190 /nfs/dbraw/zinc/31/71/90/1067317190.db2.gz JCLAMAPBEMPMPO-DHIUTWEWSA-N 0 3 482.673 3.478 20 0 JGADHN Cc1ccc([C@H](Cn2c(CN3CCCC3=O)nnc2N(C)Cc2ncc(Cl)n2C)N(C)C)cc1 ZINC001304277867 1067317257 /nfs/dbraw/zinc/31/72/57/1067317257.db2.gz HIMNMFWLJHTUEC-IBGZPJMESA-N 0 3 485.036 3.035 20 0 JGADHN Cc1ccc([C@H](Cn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)OCC(C)C)CC2)N(C)C)cc1 ZINC001304278772 1067319253 /nfs/dbraw/zinc/31/92/53/1067319253.db2.gz NYLRCGLIOVOFEN-PKTZIBPZSA-N 0 3 484.645 3.308 20 0 JGADHN Cc1ccc(C)c(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@@H](C)CN2CCCCC2)c1 ZINC001304286550 1067328362 /nfs/dbraw/zinc/32/83/62/1067328362.db2.gz ACGJMYMXOUWGLA-UNMCSNQZSA-N 0 3 489.686 3.219 20 0 JGADHN CSC[C@@H]1CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H](C)N(C)Cc1ccccc1 ZINC001302708181 1067329900 /nfs/dbraw/zinc/32/99/00/1067329900.db2.gz VRZUJCCRVFQIQA-NNWRFLSQSA-N 0 3 491.727 3.423 20 0 JGADHN Cc1ccc(CN2CC[C@H](NC(=O)CC[C@@H]3NC(=O)N(c4ccc(Cl)cc4)C3=O)C2)cc1 ZINC001302720741 1067336697 /nfs/dbraw/zinc/33/66/97/1067336697.db2.gz BFIJUCYPDOFYIF-FPOVZHCZSA-N 0 3 454.958 3.244 20 0 JGADHN CSCC[C@@H](C)N(C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CCN1CCN(C)C(C)(C)C1 ZINC001302721971 1067337491 /nfs/dbraw/zinc/33/74/91/1067337491.db2.gz FFVJJUYDQRWUCT-GOSISDBHSA-N 0 3 498.701 3.198 20 0 JGADHN CC(C)[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCCC[C@H]2C)C1 ZINC001302732512 1067346409 /nfs/dbraw/zinc/34/64/09/1067346409.db2.gz VXZFMWIZFUBCJJ-NJDAHSKKSA-N 0 3 451.681 3.317 20 0 JGADHN CC(C)[C@@H]1CCCN1c1nnc(Cc2ccsc2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001302743240 1067352894 /nfs/dbraw/zinc/35/28/94/1067352894.db2.gz JYWFZUZWTXKPQH-SFTDATJTSA-N 0 3 458.676 3.498 20 0 JGADHN CSCCCCn1c(Cc2cccnc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001302767121 1067366399 /nfs/dbraw/zinc/36/63/99/1067366399.db2.gz INOJHZGRXTULLT-QFIPXVFZSA-N 0 3 457.692 3.012 20 0 JGADHN Cc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CCCn2cnnn2)cc1Br ZINC001304321636 1067368616 /nfs/dbraw/zinc/36/86/16/1067368616.db2.gz BFBZGTNCVFCRHX-UHFFFAOYSA-N 0 3 488.438 3.013 20 0 JGADHN Cc1ccc([C@@H]2CCCN2c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccccc2)N(C)C)o1 ZINC001304334544 1067381196 /nfs/dbraw/zinc/38/11/96/1067381196.db2.gz ZHBUOVRLRNWIQI-JBACZVJFSA-N 0 3 486.642 3.434 20 0 JGADHN Cc1ccc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)o1 ZINC001304346296 1067388664 /nfs/dbraw/zinc/38/86/64/1067388664.db2.gz NLEDAEAZOABAER-BOCKYXSRSA-N 0 3 463.648 3.229 20 0 JGADHN Cc1ccc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)o1 ZINC001304346297 1067388875 /nfs/dbraw/zinc/38/88/75/1067388875.db2.gz NLEDAEAZOABAER-GEQKSPFYSA-N 0 3 463.648 3.229 20 0 JGADHN Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CCCCC3)CC2)c(C)c1 ZINC001304349802 1067391059 /nfs/dbraw/zinc/39/10/59/1067391059.db2.gz JBCDVZACEYIKPA-HXUWFJFHSA-N 0 3 474.675 3.008 20 0 JGADHN CC(C)C[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1)N(C)C ZINC001302807661 1067395445 /nfs/dbraw/zinc/39/54/45/1067395445.db2.gz HSGSADYQAPCBJN-BHIFYINESA-N 0 3 489.686 3.188 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N(C)CCNC(=O)C(C)C)n2C[C@@H]2N(C)CCCC2(C)C)cc1C ZINC001304375869 1067416234 /nfs/dbraw/zinc/41/62/34/1067416234.db2.gz RADPNPJHDUSSIS-QFIPXVFZSA-N 0 3 497.688 3.476 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCC(CN4CCOCC4)CC3)n2CCOC(C)C)cc1C ZINC001304379549 1067424795 /nfs/dbraw/zinc/42/47/95/1067424795.db2.gz JXQKMGIYWWMNAD-UHFFFAOYSA-N 0 3 484.645 3.121 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCN(CC(C)C)CC3)n2C[C@@]2(O)CCC[C@@H]2C)cc1C ZINC001304381552 1067429714 /nfs/dbraw/zinc/42/97/14/1067429714.db2.gz AATCMIBAOTUWSU-LVXARBLLSA-N 0 3 468.646 3.476 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCN(CCOC(C)C)CC3)n2CCN2CCCCC2)cc1C ZINC001304384027 1067433917 /nfs/dbraw/zinc/43/39/17/1067433917.db2.gz NVQCDEXNESWXQJ-UHFFFAOYSA-N 0 3 497.688 3.180 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCOC[C@H]3C)n2C[C@@H]2N(C)CCCC2(C)C)cc1C ZINC001304385997 1067439105 /nfs/dbraw/zinc/43/91/05/1067439105.db2.gz CEKSPRUGKCMERN-CTNGQTDRSA-N 0 3 454.619 3.493 20 0 JGADHN C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(C)Cc2ccc(F)cc2)C[C@H]1C(F)(F)F ZINC001302856596 1067439488 /nfs/dbraw/zinc/43/94/88/1067439488.db2.gz TTYSRUVPMIYQJN-OLMNPRSZSA-N 0 3 468.499 3.135 20 0 JGADHN CC(C)Cc1nnc(N(C)CCN2CCOC(C)(C)C2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001302856878 1067440050 /nfs/dbraw/zinc/44/00/50/1067440050.db2.gz DEFSQBZQNHDAOK-JOCHJYFZSA-N 0 3 460.642 3.466 20 0 JGADHN Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@@H](C(C)C)N2CCCC2)cc1C ZINC001304411611 1067479542 /nfs/dbraw/zinc/47/95/42/1067479542.db2.gz URQRTLQJBODNTN-GOTSBHOMSA-N 0 3 489.686 3.218 20 0 JGADHN CC(C)Cc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001302900382 1067482981 /nfs/dbraw/zinc/48/29/81/1067482981.db2.gz VHXZDLYNFPFKKA-QFIPXVFZSA-N 0 3 491.725 3.338 20 0 JGADHN C[C@@H]1CN(CCN(C)c2nnc(-c3cnccn3)n2C[C@H](c2ccccc2Cl)N(C)C)C[C@H](C)O1 ZINC001302905404 1067490397 /nfs/dbraw/zinc/49/03/97/1067490397.db2.gz NWBULTVLRPFDHM-SELNLUPBSA-N 0 3 499.063 3.237 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(C(C)C)CC3)n2CCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC001304417877 1067490774 /nfs/dbraw/zinc/49/07/74/1067490774.db2.gz GGEUAPWYEQDFKN-DHIUTWEWSA-N 0 3 470.662 3.195 20 0 JGADHN Cc1nccn1CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(CC(C)C)CC1 ZINC001304419650 1067494030 /nfs/dbraw/zinc/49/40/30/1067494030.db2.gz ORLOWFCFEILVFF-UHFFFAOYSA-N 0 3 451.619 3.457 20 0 JGADHN Cc1ccc(OCCN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C(C)C)N2CCCC2)cc1 ZINC001304429567 1067506846 /nfs/dbraw/zinc/50/68/46/1067506846.db2.gz QUALIODSFLSCPI-JTHBVZDNSA-N 0 3 489.686 3.124 20 0 JGADHN CC(C)Cc1nnc(N2CCCO[C@H](c3ccccc3)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001302937063 1067510364 /nfs/dbraw/zinc/51/03/64/1067510364.db2.gz HYWREIKTLPNODG-ZEQRLZLVSA-N 0 3 482.673 3.387 20 0 JGADHN FC(F)(F)CN1CCN(c2nnc(CCCc3ccccc3)n2CCN2CC=CCC2)CC1 ZINC001302937416 1067510917 /nfs/dbraw/zinc/51/09/17/1067510917.db2.gz NHTPJYZQKBHUHY-UHFFFAOYSA-N 0 3 462.564 3.400 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C(=O)c3ccccc3[O-])CC2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001302939929 1067513711 /nfs/dbraw/zinc/51/37/11/1067513711.db2.gz QEGOXURVLASAQC-QFIPXVFZSA-N 0 3 468.646 3.265 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001302939882 1067513889 /nfs/dbraw/zinc/51/38/89/1067513889.db2.gz NUUDXXJEBIOSNK-UHFFFAOYSA-N 0 3 468.646 3.409 20 0 JGADHN Cc1ccc(SCc2nnc(N3CCN(CC(C)C)CC3)n2Cc2ccc(C(N)=O)nc2)cc1 ZINC001304436557 1067515003 /nfs/dbraw/zinc/51/50/03/1067515003.db2.gz FBUISMDFJMDMEN-UHFFFAOYSA-N 0 3 479.654 3.199 20 0 JGADHN FC(F)(F)CSCCn1c([C@H]2CCCCO2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001302941590 1067515627 /nfs/dbraw/zinc/51/56/27/1067515627.db2.gz NXTAOZHUHLNEIO-QGZVFWFLSA-N 0 3 463.570 3.116 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1Cc1ccccc1OC(C)C ZINC001302945278 1067518176 /nfs/dbraw/zinc/51/81/76/1067518176.db2.gz ZLTCDARQTTZXFV-JOCHJYFZSA-N 0 3 468.646 3.055 20 0 JGADHN Cc1ccc(SCc2nnc(N3CCN(CC(C)C)CC3)n2C[C@@]2(C)COCCO2)cc1 ZINC001304438509 1067518264 /nfs/dbraw/zinc/51/82/64/1067518264.db2.gz XVKIXBVKCRWFQW-DEOSSOPVSA-N 0 3 459.660 3.462 20 0 JGADHN FC(F)C(F)(F)COCCn1c(C2CCCC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001302945627 1067518730 /nfs/dbraw/zinc/51/87/30/1067518730.db2.gz SASHIBVNESTFRC-MRXNPFEDSA-N 0 3 463.520 3.011 20 0 JGADHN CC(C)Cc1nnc(N2CCN([C@@H](C)c3nc(C(C)C)no3)CC2)n1CCN1CC=CCC1 ZINC001302946305 1067519451 /nfs/dbraw/zinc/51/94/51/1067519451.db2.gz BCPGDRAJXHEGJW-FQEVSTJZSA-N 0 3 456.639 3.128 20 0 JGADHN Cc1ccc(SCCn2c(N3CCN(C(=O)[C@@H]4CCCN4C)CC3)nnc2C(C)(C)C)cc1 ZINC001304440319 1067520763 /nfs/dbraw/zinc/52/07/63/1067520763.db2.gz DDPWAHYCENCZSW-NRFANRHFSA-N 0 3 470.687 3.419 20 0 JGADHN FC(F)CN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CC=CCC2)CC1 ZINC001302947965 1067521569 /nfs/dbraw/zinc/52/15/69/1067521569.db2.gz LZOIEPUQAUYUPQ-UHFFFAOYSA-N 0 3 450.965 3.171 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CCNc1nccc(C(F)(F)F)n1 ZINC001302956756 1067528518 /nfs/dbraw/zinc/52/85/18/1067528518.db2.gz IWWWCFXPKPPLTM-QGZVFWFLSA-N 0 3 496.582 3.087 20 0 JGADHN CC(C)Cc1nnc(N2CCN(CCCOCC(F)(F)F)CC2)n1C[C@H]1CCn2ccnc2C1 ZINC001302965460 1067535970 /nfs/dbraw/zinc/53/59/70/1067535970.db2.gz DPCZGTXOYKYPJR-IBGZPJMESA-N 0 3 483.583 3.027 20 0 JGADHN CC(C)Cc1nnc(N2CCN(CCN(C)Cc3ccccc3)CC2)n1C[C@H]1CCOC[C@H]1C ZINC001302966183 1067536222 /nfs/dbraw/zinc/53/62/22/1067536222.db2.gz OFIDFIOKQMORNC-ILBGXUMGSA-N 0 3 468.690 3.403 20 0 JGADHN Cc1cccc(-c2nnc(N(C)CCN3C[C@@H](C)O[C@@H](C)C3)n2C[C@H](c2ccco2)N(C)C)n1 ZINC001304459145 1067538645 /nfs/dbraw/zinc/53/86/45/1067538645.db2.gz DZWKMLMYEWDHQH-RZUBCFFCSA-N 0 3 467.618 3.090 20 0 JGADHN Cc1cccc(-c2nnc(N(C)CCN3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H](c2ccco2)N(C)C)n1 ZINC001304459146 1067538903 /nfs/dbraw/zinc/53/89/03/1067538903.db2.gz DZWKMLMYEWDHQH-VWPQPMDRSA-N 0 3 467.618 3.090 20 0 JGADHN CC(C)Cc1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001302971677 1067539709 /nfs/dbraw/zinc/53/97/09/1067539709.db2.gz GMWAJCAJGNRMAW-NLFFAJNJSA-N 0 3 462.683 3.061 20 0 JGADHN Fc1ccccc1Cc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCCOC(F)(F)F ZINC001302977448 1067543124 /nfs/dbraw/zinc/54/31/24/1067543124.db2.gz KQIVOPNDQJKGKM-QGZVFWFLSA-N 0 3 471.499 3.093 20 0 JGADHN Cc1cccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CCN2CCC[C@@H]2C)n1 ZINC001304465369 1067543601 /nfs/dbraw/zinc/54/36/01/1067543601.db2.gz LTIKSHHQPHWSOX-INIZCTEOSA-N 0 3 450.509 3.481 20 0 JGADHN Cc1cccc(OCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCCC2)c1 ZINC001304502392 1067576704 /nfs/dbraw/zinc/57/67/04/1067576704.db2.gz HYQNPRQEUAQJDW-FQEVSTJZSA-N 0 3 475.659 3.053 20 0 JGADHN Cc1cccc(OCc2nnc(N3CCN(CC(C)C)CC3)n2CCCc2cnn(C)c2)c1 ZINC001304512187 1067588626 /nfs/dbraw/zinc/58/86/26/1067588626.db2.gz MJFUWVFZWQKIEA-UHFFFAOYSA-N 0 3 451.619 3.310 20 0 JGADHN CC(C)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001303067933 1067602649 /nfs/dbraw/zinc/60/26/49/1067602649.db2.gz JTANDBWRUBDKCM-DENIHFKCSA-N 0 3 472.609 3.346 20 0 JGADHN O=C(Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C2CCCC2)CC1)NCC(F)F ZINC001303072255 1067606870 /nfs/dbraw/zinc/60/68/70/1067606870.db2.gz ZWWVKFNQMYGMDV-UHFFFAOYSA-N 0 3 470.927 3.184 20 0 JGADHN Cc1ccccc1-c1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1C[C@H](c1cccs1)N(C)C ZINC001304537162 1067608818 /nfs/dbraw/zinc/60/88/18/1067608818.db2.gz NJPNIKOPQYMYKA-JOCHJYFZSA-N 0 3 495.697 3.265 20 0 JGADHN Cc1ccccc1Cc1nnc(N(C)CC(C)(C)CN2CCOCC2)n1CCN1CC=CCC1 ZINC001304546959 1067615970 /nfs/dbraw/zinc/61/59/70/1067615970.db2.gz LDGAHHHLTFLRSK-UHFFFAOYSA-N 0 3 466.674 3.234 20 0 JGADHN CC(C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001303085955 1067618967 /nfs/dbraw/zinc/61/89/67/1067618967.db2.gz BXTYLWNMZGTLGJ-NJYVYQBISA-N 0 3 476.666 3.253 20 0 JGADHN Cc1ccccc1Cc1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1CC1(N(C)C)CCCC1 ZINC001304557155 1067626079 /nfs/dbraw/zinc/62/60/79/1067626079.db2.gz PWMGBPWHLLBWDY-QFIPXVFZSA-N 0 3 473.687 3.455 20 0 JGADHN CC(C)CCOc1ccc(-c2nnc(N3CCN(C4CCOCC4)CC3)n2CC(=O)NC(C)C)cc1 ZINC001303103106 1067641667 /nfs/dbraw/zinc/64/16/67/1067641667.db2.gz UCQZWTMPCOKEKX-UHFFFAOYSA-N 0 3 498.672 3.196 20 0 JGADHN Cc1ccccc1O[C@@H](C)Cn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1C(C)(C)C ZINC001304575273 1067643864 /nfs/dbraw/zinc/64/38/64/1067643864.db2.gz YUQSZCNTKFQEQR-LEWJYISDSA-N 0 3 468.646 3.094 20 0 JGADHN CCOC(=O)c1csc(CC2CCN(C(=O)[C@@H]3CCCN(Cc4cccnc4)C3)CC2)n1 ZINC001303115493 1067652673 /nfs/dbraw/zinc/65/26/73/1067652673.db2.gz MGWAIHGIOGMSKW-HXUWFJFHSA-N 0 3 456.612 3.408 20 0 JGADHN CC(C)CCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001303119592 1067658534 /nfs/dbraw/zinc/65/85/34/1067658534.db2.gz KTVZQLACEWJLTG-UHFFFAOYSA-N 0 3 459.610 3.372 20 0 JGADHN Cc1ccccc1Cc1nnc(N2CC=C(C)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001304596623 1067660177 /nfs/dbraw/zinc/66/01/77/1067660177.db2.gz FEHNXRWSSIAREQ-HSZRJFAPSA-N 0 3 450.631 3.276 20 0 JGADHN Cc1cnc([C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CCC(C)(C)C)CC2)s1 ZINC001304609401 1067676904 /nfs/dbraw/zinc/67/69/04/1067676904.db2.gz ISANDAVLZMHFOJ-FUHWJXTLSA-N 0 3 459.664 3.356 20 0 JGADHN OCCCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001303149483 1067687694 /nfs/dbraw/zinc/68/76/94/1067687694.db2.gz JFIIMRIFDKSRSU-GOSISDBHSA-N 0 3 466.001 3.449 20 0 JGADHN Cc1nc(C)c(CCn2c(C(=O)NC(C)C)nnc2N2CCN(CC3CCCCC3)CC2)s1 ZINC001304639245 1067707257 /nfs/dbraw/zinc/70/72/57/1067707257.db2.gz LWHAQNXSMNBOID-UHFFFAOYSA-N 0 3 473.691 3.435 20 0 JGADHN CC(C)CN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(Cl)s2)CC1 ZINC001303178307 1067710967 /nfs/dbraw/zinc/71/09/67/1067710967.db2.gz KXIOHMCGCCNNLG-UHFFFAOYSA-N 0 3 460.007 3.467 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3cccc(Br)c3)n2CCN2CC=CCC2)CC1=O ZINC001303183221 1067715868 /nfs/dbraw/zinc/71/58/68/1067715868.db2.gz BCBDDZRSVPOEBA-UHFFFAOYSA-N 0 3 487.446 3.274 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccc(Br)s3)n2CCCN2CCOC2=O)CC1 ZINC001303183442 1067716142 /nfs/dbraw/zinc/71/61/42/1067716142.db2.gz JYOUABXQXRRFDF-UHFFFAOYSA-N 0 3 497.463 3.389 20 0 JGADHN Cc1nc(Cc2nnc(N(C)CC(=O)NC(C)(C)C)n2CCN(C)Cc2ccccc2)cs1 ZINC001304648698 1067716451 /nfs/dbraw/zinc/71/64/51/1067716451.db2.gz OHTZQCRTQKVGGP-UHFFFAOYSA-N 0 3 469.659 3.117 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@@H]2NC(=O)CC2(C)C)CC1 ZINC001303184745 1067718395 /nfs/dbraw/zinc/71/83/95/1067718395.db2.gz NVJSHTCBDLPEIU-RXVVDRJESA-N 0 3 472.609 3.250 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@@H]2NC(=O)CC2(C)C)CC1 ZINC001303184744 1067718403 /nfs/dbraw/zinc/71/84/03/1067718403.db2.gz NVJSHTCBDLPEIU-NQIIRXRSSA-N 0 3 472.609 3.250 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2Cc2cnnn2C)CC1 ZINC001303184854 1067718951 /nfs/dbraw/zinc/71/89/51/1067718951.db2.gz XFOFHIQTBXCGRU-UHFFFAOYSA-N 0 3 493.841 3.316 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCOC[C@H]2CCOC2)CC1 ZINC001303185799 1067721357 /nfs/dbraw/zinc/72/13/57/1067721357.db2.gz NHRDSMXLBAMPPQ-LJQANCHMSA-N 0 3 463.026 3.215 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC001303191036 1067725397 /nfs/dbraw/zinc/72/53/97/1067725397.db2.gz RWJDRJNXBXZMLO-SFHVURJKSA-N 0 3 468.499 3.213 20 0 JGADHN CC(C)CN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCOC(C)C)CC1 ZINC001303191549 1067725695 /nfs/dbraw/zinc/72/56/95/1067725695.db2.gz CSZZQYBCIFCZEY-UHFFFAOYSA-N 0 3 470.666 3.045 20 0 JGADHN CC(C)CN1CCN(c2nnc(CC(C)(C)C)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001303195526 1067728685 /nfs/dbraw/zinc/72/86/85/1067728685.db2.gz CLJOQHLUDOOATD-IBGZPJMESA-N 0 3 474.616 3.298 20 0 JGADHN CC(C)CN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1=O ZINC001303196911 1067731234 /nfs/dbraw/zinc/73/12/34/1067731234.db2.gz PKRIGTSGOSYHTF-QHCPKHFHSA-N 0 3 479.604 3.011 20 0 JGADHN CC(C)CN1CCN(c2nnc(Cc3ccncc3)n2Cc2cc(COC(C)(C)C)on2)CC1 ZINC001303196970 1067731550 /nfs/dbraw/zinc/73/15/50/1067731550.db2.gz RDJOFXMUVOQKEL-UHFFFAOYSA-N 0 3 467.618 3.393 20 0 JGADHN CC(C)CN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccccc2F)CC1 ZINC001303198860 1067734539 /nfs/dbraw/zinc/73/45/39/1067734539.db2.gz NNLRWHWKMUGQDC-UHFFFAOYSA-N 0 3 470.618 3.429 20 0 JGADHN CC(C)CN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCNC(=O)C(C)(C)C)CC1 ZINC001303198950 1067735041 /nfs/dbraw/zinc/73/50/41/1067735041.db2.gz POVBHORBCQMDIN-UHFFFAOYSA-N 0 3 477.053 3.451 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@H]3CCCO3)n2CCOc2cccc(C(F)(F)F)n2)CC1 ZINC001303200603 1067736499 /nfs/dbraw/zinc/73/64/99/1067736499.db2.gz CURSOKCQNNJYIB-QGZVFWFLSA-N 0 3 468.524 3.400 20 0 JGADHN Cc1nc(Cc2nnc(N3CCN(C4CCOCC4)C[C@@H]3C)n2CCC(C)(F)F)cs1 ZINC001304670705 1067739735 /nfs/dbraw/zinc/73/97/35/1067739735.db2.gz RLTJVBPHTWDCSD-HNNXBMFYSA-N 0 3 454.591 3.369 20 0 JGADHN Cc1nc(Cc2nnc(N3CCN(CCC(C)(C)C)CC3)n2CCc2ccn(C)n2)cs1 ZINC001304674576 1067745326 /nfs/dbraw/zinc/74/53/26/1067745326.db2.gz RXIAMAGGEAXDGF-UHFFFAOYSA-N 0 3 456.664 3.168 20 0 JGADHN CC(C)COC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001303212491 1067750065 /nfs/dbraw/zinc/75/00/65/1067750065.db2.gz DNOQVWLUGPIHLY-QFIPXVFZSA-N 0 3 496.591 3.092 20 0 JGADHN CC(C)COC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2cccs2)N(C)C)CC1 ZINC001303215346 1067752722 /nfs/dbraw/zinc/75/27/22/1067752722.db2.gz KBUIVKUBHGGTHR-MOPGFXCFSA-N 0 3 476.647 3.061 20 0 JGADHN CC(C)COC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2cccs2)N(C)C)CC1 ZINC001303215347 1067752770 /nfs/dbraw/zinc/75/27/70/1067752770.db2.gz KBUIVKUBHGGTHR-OALUTQOASA-N 0 3 476.647 3.061 20 0 JGADHN Cc1nc(CCn2c(N3CCN(CC(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)cs1 ZINC001304685477 1067758014 /nfs/dbraw/zinc/75/80/14/1067758014.db2.gz FPFLCHWVRHMFAO-QHCPKHFHSA-N 0 3 462.664 3.104 20 0 JGADHN Cc1ncc(CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccccc2)N(C)C)s1 ZINC001304693178 1067766287 /nfs/dbraw/zinc/76/62/87/1067766287.db2.gz GORZLMWMPBKLNL-FQEVSTJZSA-N 0 3 453.616 3.105 20 0 JGADHN Cc1ncc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCN2CCC(C)CC2)s1 ZINC001304694798 1067767562 /nfs/dbraw/zinc/76/75/62/1067767562.db2.gz YUDYCJZTCFOHCE-IBGZPJMESA-N 0 3 480.704 3.094 20 0 JGADHN Cc1nccn1CCCn1c(CCOc2ccccc2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001304706832 1067779005 /nfs/dbraw/zinc/77/90/05/1067779005.db2.gz AVZAATVFKWXICV-UHFFFAOYSA-N 0 3 451.619 3.415 20 0 JGADHN CC(C)N(C)C(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCN(C)Cc2ccc(F)cc2)CC1 ZINC001303255648 1067782317 /nfs/dbraw/zinc/78/23/17/1067782317.db2.gz NEKMFXLUKUAILD-JOCHJYFZSA-N 0 3 486.636 3.136 20 0 JGADHN CC(C)N(C)C(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCN(C)Cc2ccccc2)CC1 ZINC001303255913 1067782634 /nfs/dbraw/zinc/78/26/34/1067782634.db2.gz SMCAUMNJPZDYIM-UHFFFAOYSA-N 0 3 489.668 3.479 20 0 JGADHN Cc1nccn1CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)CCC(F)(F)F ZINC001304712933 1067784299 /nfs/dbraw/zinc/78/42/99/1067784299.db2.gz CDYKQOAYIZZQKT-UHFFFAOYSA-N 0 3 490.578 3.237 20 0 JGADHN CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1CNC(=O)CC1(N2CCOCC2)CCCC1 ZINC001303268030 1067795366 /nfs/dbraw/zinc/79/53/66/1067795366.db2.gz HAQACTKQFZEWOW-QFIPXVFZSA-N 0 3 457.615 3.500 20 0 JGADHN Cc1nn(C)c(C)c1Cn1c(Cc2ccncc2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001304724633 1067796645 /nfs/dbraw/zinc/79/66/45/1067796645.db2.gz KRPLPCHIURDRRV-UHFFFAOYSA-N 0 3 450.635 3.221 20 0 JGADHN CC(C)N(C)CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC001303272038 1067801026 /nfs/dbraw/zinc/80/10/26/1067801026.db2.gz XTCKYHWZJKCPNT-ROUUACIJSA-N 0 3 460.648 3.035 20 0 JGADHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 ZINC001303273179 1067801780 /nfs/dbraw/zinc/80/17/80/1067801780.db2.gz IDBQNHGEBMCLKG-HOTGVXAUSA-N 0 3 458.282 3.357 20 0 JGADHN CC(C)N(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CCCCC2)CC1)C(C)C ZINC001303296935 1067821047 /nfs/dbraw/zinc/82/10/47/1067821047.db2.gz MYWIDZLKWKLPOZ-HSZRJFAPSA-N 0 3 494.750 3.001 20 0 JGADHN CC(C)N(CCn1c(N2CCS(=O)(=O)CC2)nnc1C1(c2ccccc2)CCC1)C(C)C ZINC001303298220 1067822555 /nfs/dbraw/zinc/82/25/55/1067822555.db2.gz QDZYMCKQOFFREK-UHFFFAOYSA-N 0 3 459.660 3.102 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N(C)C[C@@H]3CCOC3)n2C[C@H](c2ccc(F)cc2)N(C)C)n1 ZINC001304744516 1067822573 /nfs/dbraw/zinc/82/25/73/1067822573.db2.gz WTXIJFLTHKJVFG-SIKLNZKXSA-N 0 3 455.582 3.054 20 0 JGADHN CC(C)N(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCCCCC[C@@H]21)C(C)C ZINC001303298252 1067822715 /nfs/dbraw/zinc/82/27/15/1067822715.db2.gz JVQFWMDYKWHABD-HBMCJLEFSA-N 0 3 451.681 3.458 20 0 JGADHN CC(C)N1CCC[C@@H](Cn2c(CC3CCCC3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001303303939 1067829603 /nfs/dbraw/zinc/82/96/03/1067829603.db2.gz AYFOWQVXQRLUQY-RTWAWAEBSA-N 0 3 451.681 3.145 20 0 JGADHN CC(C)N1CCC[C@H](Cn2c(-c3ccccc3F)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)C1 ZINC001303304565 1067831121 /nfs/dbraw/zinc/83/11/21/1067831121.db2.gz OCAFSCBOWSZGFC-FHWLQOOXSA-N 0 3 465.639 3.462 20 0 JGADHN CC(C)N1CCC[C@H](Cn2c(Cc3ccsc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001303304639 1067832336 /nfs/dbraw/zinc/83/23/36/1067832336.db2.gz IXEHKJNMMZLFOC-PMACEKPBSA-N 0 3 465.689 3.064 20 0 JGADHN CC(C)N1CCC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001303305632 1067833869 /nfs/dbraw/zinc/83/38/69/1067833869.db2.gz VJGOMUDUBGNVCU-IBGZPJMESA-N 0 3 468.067 3.124 20 0 JGADHN CC(C)N1CCN(c2nnc(-c3ccccc3Br)n2CCCCN2CCOCC2)CC1 ZINC001303311868 1067841138 /nfs/dbraw/zinc/84/11/38/1067841138.db2.gz PHOXPDGGPMABHJ-UHFFFAOYSA-N 0 3 491.478 3.350 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N3CCN(C(C)(C)C)CC3)n2CCN(C)c2ccccc2)n1 ZINC001304758713 1067843613 /nfs/dbraw/zinc/84/36/13/1067843613.db2.gz CRSDRWSNUXXSTA-UHFFFAOYSA-N 0 3 450.635 3.197 20 0 JGADHN CC(C)N1CCN([C@H]2CCN(c3nnc(C(C)(C)C)n3C[C@](C)(O)c3ccc(F)cc3)C2)CC1 ZINC001303316789 1067844302 /nfs/dbraw/zinc/84/43/02/1067844302.db2.gz IXUWMAYZGDGSOW-NVQXNPDNSA-N 0 3 472.653 3.227 20 0 JGADHN CC(C)N1CCN([C@@H]2CCN(c3nnc(Cc4ccncc4)n3CCSC(F)(F)F)C2)CC1 ZINC001303317933 1067847626 /nfs/dbraw/zinc/84/76/26/1067847626.db2.gz FQVBFMUDICDYQG-LJQANCHMSA-N 0 3 483.608 3.122 20 0 JGADHN CC(C)N1CCN([C@H]2CCN(c3nnc(C4CCCC4)n3CCOCC(F)(F)C(F)F)C2)CC1 ZINC001303317940 1067848204 /nfs/dbraw/zinc/84/82/04/1067848204.db2.gz FZGOGWPUNBERMX-IBGZPJMESA-N 0 3 490.590 3.457 20 0 JGADHN CC(C)N1CCN([C@H]2CCN(c3nnc(C4CCCC4)n3CCCNC(=O)OC(C)(C)C)C2)CC1 ZINC001303318247 1067849065 /nfs/dbraw/zinc/84/90/65/1067849065.db2.gz MJDHLYKSMAXADK-QFIPXVFZSA-N 0 3 489.709 3.455 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCN(C)Cc2ccc(F)cc2)n1 ZINC001304762535 1067849669 /nfs/dbraw/zinc/84/96/69/1067849669.db2.gz JWLQNQOJJDRYJE-HXUWFJFHSA-N 0 3 495.525 3.178 20 0 JGADHN CC(C)NC(=O)c1nnc(N(C)Cc2cscn2)n1CC1(N2CCSCC2)CCCCC1 ZINC001303335052 1067864468 /nfs/dbraw/zinc/86/44/68/1067864468.db2.gz FTJCOMIBUCATRL-UHFFFAOYSA-N 0 3 477.704 3.261 20 0 JGADHN CC(C)NC(=O)c1nnc(N2C[C@H](C)S[C@@H](C)C2)n1CCCN1CCc2ccccc2C1 ZINC001303352970 1067879843 /nfs/dbraw/zinc/87/98/43/1067879843.db2.gz MLXRHXBPQMRONO-OALUTQOASA-N 0 3 456.660 3.195 20 0 JGADHN Cc1nnc(N2CCN(C(=O)c3ccccc3[O-])CC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304849109 1067902900 /nfs/dbraw/zinc/90/29/00/1067902900.db2.gz NHTAEOJCCCDHNX-RTBURBONSA-N 0 3 454.619 3.011 20 0 JGADHN Cc1nnc(N2CCN(CCN(C)Cc3ccccc3)CC2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001304859199 1067909239 /nfs/dbraw/zinc/90/92/39/1067909239.db2.gz DJKHYHSMCNYGDS-UHFFFAOYSA-N 0 3 497.688 3.240 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCc3c(F)ccc(F)c3C2)n1C[C@H]1N(C)CCCC1(C)C ZINC001303379744 1067909419 /nfs/dbraw/zinc/90/94/19/1067909419.db2.gz PYUTZJCCTTXPBI-HXUWFJFHSA-N 0 3 460.573 3.378 20 0 JGADHN Cc1nnc(N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001304867523 1067912222 /nfs/dbraw/zinc/91/22/22/1067912222.db2.gz QZSCLIZHHYBQRF-SFTDATJTSA-N 0 3 494.562 3.126 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCN(C3CCCCC3)CC2)n1Cc1ccc(OC(C)C)nc1 ZINC001303405412 1067933757 /nfs/dbraw/zinc/93/37/57/1067933757.db2.gz SRBIRWFRTRVFIP-UHFFFAOYSA-N 0 3 469.634 3.102 20 0 JGADHN CC(C)NC(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001303427762 1067952693 /nfs/dbraw/zinc/95/26/93/1067952693.db2.gz RERYSOZDIGWGRM-FQEVSTJZSA-N 0 3 488.080 3.118 20 0 JGADHN C[C@H]1C(=O)N(C)CCN1c1nnc(Cc2ccc(F)cc2)n1C[C@H](c1cccs1)N(C)C ZINC001304911597 1067955297 /nfs/dbraw/zinc/95/52/97/1067955297.db2.gz MIHHUPAUQYNDML-QFBILLFUSA-N 0 3 456.591 3.039 20 0 JGADHN C[C@H]1c2cc(F)cc(F)c2CCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN(C)C ZINC001304911645 1067955350 /nfs/dbraw/zinc/95/53/50/1067955350.db2.gz KXBLCKYRJYXGIH-JKSUJKDBSA-N 0 3 481.613 3.170 20 0 JGADHN C[C@H]([C@H](C)N(C)c1nnc(Cc2cccnc2)n1CC(C)(C)N1C[C@H](C)C[C@H](C)C1)S(C)(=O)=O ZINC001304912914 1067956842 /nfs/dbraw/zinc/95/68/42/1067956842.db2.gz RIFXWGUNFWBIRM-JSXRDJHFSA-N 0 3 490.718 3.278 20 0 JGADHN CC(C)NC(=O)CN(C)c1nnc(Cc2ccsc2)n1C[C@@H](c1ccco1)N1CCCC1 ZINC001303441723 1067964106 /nfs/dbraw/zinc/96/41/06/1067964106.db2.gz XRIHUFUDYQFXIS-IBGZPJMESA-N 0 3 456.616 3.321 20 0 JGADHN CC(C)NC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CCCCC2)CC1 ZINC001303454852 1067974666 /nfs/dbraw/zinc/97/46/66/1067974666.db2.gz VGQBHJDVXBXMRX-UHFFFAOYSA-N 0 3 460.573 3.126 20 0 JGADHN CC(C)O[C@]1(c2nnc(N(C)Cc3cnn(C)c3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CCOC1 ZINC001303482452 1068004740 /nfs/dbraw/zinc/00/47/40/1068004740.db2.gz ZQFWDJMBHNJOTD-WIOPSUGQSA-N 0 3 485.608 3.131 20 0 JGADHN CC(C)N1CCC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C2CCC(C)CC2)C1 ZINC001304974624 1068014452 /nfs/dbraw/zinc/01/44/52/1068014452.db2.gz KIGQXEROHQBRAZ-JWFWCLOMSA-N 0 3 451.681 3.316 20 0 JGADHN CC1CCC(N(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCCC2)CC1 ZINC001304975169 1068014847 /nfs/dbraw/zinc/01/48/47/1068014847.db2.gz NSWSCSUBCJAZEN-GPJFCIFZSA-N 0 3 451.681 3.460 20 0 JGADHN CC(C)O[C@@]1(c2nnc(N3CCC(C(=O)c4ccccc4)CC3)n2C[C@@H](C)N(C)C)CCOC1 ZINC001303490395 1068015363 /nfs/dbraw/zinc/01/53/63/1068015363.db2.gz SUTKTNUZWMBMKX-IBVKSMDESA-N 0 3 469.630 3.368 20 0 JGADHN CC(C)N(C)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001304981183 1068021115 /nfs/dbraw/zinc/02/11/15/1068021115.db2.gz NOSUXBSHSNTSRS-FUHWJXTLSA-N 0 3 465.689 3.095 20 0 JGADHN CC(C)N(C)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001304981184 1068021209 /nfs/dbraw/zinc/02/12/09/1068021209.db2.gz NOSUXBSHSNTSRS-SJLPKXTDSA-N 0 3 465.689 3.095 20 0 JGADHN CC(C)O[C@@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@H]2CSCCS2)CCOC1 ZINC001303501449 1068029752 /nfs/dbraw/zinc/02/97/52/1068029752.db2.gz GQJGMJBXKKJUCH-AVRDEDQJSA-N 0 3 469.721 3.088 20 0 JGADHN CC(C)O[C@@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@H](C)c2nccs2)CCOC1 ZINC001303502081 1068031383 /nfs/dbraw/zinc/03/13/83/1068031383.db2.gz LBUZUPQVWXGYEM-MBSDFSHPSA-N 0 3 462.664 3.499 20 0 JGADHN C[C@@H]1CCC[C@](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(OC(C)(C)C)CC2)(N(C)C)C1 ZINC001304989850 1068032173 /nfs/dbraw/zinc/03/21/73/1068032173.db2.gz SGZSYJVTEVQAFE-FHAGJXEFSA-N 0 3 495.734 3.475 20 0 JGADHN C[C@@H]1CCC[C@@](Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@H](S(C)(=O)=O)C2)(N(C)C)C1 ZINC001304990340 1068032465 /nfs/dbraw/zinc/03/24/65/1068032465.db2.gz ULQAILWWNOIZTB-QZTZHPFYSA-N 0 3 495.640 3.281 20 0 JGADHN CC(C)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCC[C@@H](C)C1)N1CCCC1 ZINC001304991238 1068033236 /nfs/dbraw/zinc/03/32/36/1068033236.db2.gz RIYXCLVIVHCVAX-IVAOSVALSA-N 0 3 451.681 3.316 20 0 JGADHN CC(C)O[C@]1(c2nnc(N3CCN(CCC(C)(C)C)CC3)n2C[C@@H]2CCC[C@H](O)C2)CCOC1 ZINC001303507776 1068042163 /nfs/dbraw/zinc/04/21/63/1068042163.db2.gz YTEZFDHHYFAYDF-TVZXLZGTSA-N 0 3 477.694 3.428 20 0 JGADHN CC(C)OC1CCN(c2nnc(Cc3ccsc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001303529763 1068057380 /nfs/dbraw/zinc/05/73/80/1068057380.db2.gz AETPMNRDTAFBKM-QFIPXVFZSA-N 0 3 488.702 3.267 20 0 JGADHN C[C@H]1CCCCN1CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1F ZINC001305016572 1068059660 /nfs/dbraw/zinc/05/96/60/1068059660.db2.gz MSKOMQCKOXBPGE-ICSRJNTNSA-N 0 3 463.623 3.220 20 0 JGADHN C[C@@H]1CCCCN1CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1F ZINC001305016573 1068060015 /nfs/dbraw/zinc/06/00/15/1068060015.db2.gz MSKOMQCKOXBPGE-QUCCMNQESA-N 0 3 463.623 3.220 20 0 JGADHN C[C@@H]1CCCCN1CCCn1c(COc2ccc(Cl)cc2)nnc1N1CCS(=O)(=O)CC1 ZINC001305017270 1068060821 /nfs/dbraw/zinc/06/08/21/1068060821.db2.gz CXMAKEIZJPNRSA-GOSISDBHSA-N 0 3 482.050 3.010 20 0 JGADHN CC(C)OC[C@H]1CN(c2nnc(C(C)(C)C)n2C[C@H]2CN(Cc3ccccc3)CCCO2)CCO1 ZINC001303531958 1068061315 /nfs/dbraw/zinc/06/13/15/1068061315.db2.gz UVPIBOZXKZWJCP-DNQXCXABSA-N 0 3 485.673 3.497 20 0 JGADHN C[C@H]1CCCN(C(C)(C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001305022563 1068073908 /nfs/dbraw/zinc/07/39/08/1068073908.db2.gz MALXTXWLOJNVJR-INIZCTEOSA-N 0 3 484.041 3.483 20 0 JGADHN CC(C)NC(=O)c1nnc(N(C)CCOc2ccccc2Cl)n1CCN1CCC[C@H](C)C1 ZINC001305041658 1068096275 /nfs/dbraw/zinc/09/62/75/1068096275.db2.gz GBVRQUVDZAEVKD-SFHVURJKSA-N 0 3 463.026 3.317 20 0 JGADHN CC(C)NC(=O)c1nnc(N2C[C@@H](c3ccccc3)O[C@@H](C)C2)n1CCN1CCC[C@@H](C)C1 ZINC001305042022 1068097230 /nfs/dbraw/zinc/09/72/30/1068097230.db2.gz HEEKFOFFRRNASK-URVUXULASA-N 0 3 454.619 3.115 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CC[C@H](COc3ccccc3)C2)n1CCN1CCC[C@@H](C)C1 ZINC001305042857 1068098773 /nfs/dbraw/zinc/09/87/73/1068098773.db2.gz LQWNSVIMRPKYAX-RTWAWAEBSA-N 0 3 454.619 3.054 20 0 JGADHN CC(C)SCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001303574819 1068100047 /nfs/dbraw/zinc/10/00/47/1068100047.db2.gz QVQRFOYFZUTJTA-FQEVSTJZSA-N 0 3 477.078 3.483 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCC[C@H](c3noc(C(C)C)n3)C2)n1CCN1CCC[C@@H](C)C1 ZINC001305043695 1068100244 /nfs/dbraw/zinc/10/02/44/1068100244.db2.gz SKTOQCXUOLWKHA-MOPGFXCFSA-N 0 3 472.638 3.039 20 0 JGADHN CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)n1CCN1CCC[C@@H](C)C1 ZINC001305044261 1068100740 /nfs/dbraw/zinc/10/07/40/1068100740.db2.gz YRKSHPUXYGAPEL-SQQYVQODSA-N 0 3 474.675 3.083 20 0 JGADHN C[C@H]1CCCN(CCn2c([C@@H]3CCCOC3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)C1 ZINC001305049766 1068110510 /nfs/dbraw/zinc/11/05/10/1068110510.db2.gz TUCNEOKCBRJDQW-FUHWJXTLSA-N 0 3 457.541 3.252 20 0 JGADHN CCC[C@@H](NC(=O)NCc1ccc(Br)cc1)C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC001303598678 1068124856 /nfs/dbraw/zinc/12/48/56/1068124856.db2.gz CJVBLJPLFCGQCM-IPMKNSEASA-N 0 3 451.409 3.112 20 0 JGADHN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1nnc(Cc2ccsc2)n1CCN1CC=CCC1 ZINC001303600388 1068128504 /nfs/dbraw/zinc/12/85/04/1068128504.db2.gz HNGTZHSHUUOWNG-GOSISDBHSA-N 0 3 486.667 3.037 20 0 JGADHN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(C2CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001303603884 1068136435 /nfs/dbraw/zinc/13/64/35/1068136435.db2.gz UNXAWNGHTZIYRW-UPTQXZAWSA-N 0 3 458.676 3.116 20 0 JGADHN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2ccccn2)n1CCN1CCN(C)C(C)(C)C1 ZINC001303605604 1068138953 /nfs/dbraw/zinc/13/89/53/1068138953.db2.gz ZMBDKDQOUBEQLY-NFVVUBBGSA-N 0 3 495.697 3.301 20 0 JGADHN C[C@@H](c1ccccc1F)N(C)c1nnc([C@H]2CCCO2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001303613259 1068147471 /nfs/dbraw/zinc/14/74/71/1068147471.db2.gz KOLSLBAANPUSRN-YUXAGFNASA-N 0 3 472.609 3.409 20 0 JGADHN C[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001305105406 1068173142 /nfs/dbraw/zinc/17/31/42/1068173142.db2.gz FBLAKITYFMCFDA-WIYYLYMNSA-N 0 3 475.037 3.299 20 0 JGADHN CC1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001305105410 1068173204 /nfs/dbraw/zinc/17/32/04/1068173204.db2.gz DOCNGHQGZVGLIU-OYRHEFFESA-N 0 3 489.709 3.311 20 0 JGADHN CC(C)[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCC(C)CC2)CCO1 ZINC001305105765 1068173659 /nfs/dbraw/zinc/17/36/59/1068173659.db2.gz CZCJDUJMIVQAKH-QFIPXVFZSA-N 0 3 489.064 3.455 20 0 JGADHN C[C@@H](CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)N(C)Cc1ccccc1 ZINC001303664449 1068197463 /nfs/dbraw/zinc/19/74/63/1068197463.db2.gz KTRRALBJVRHZCW-RBBKRZOGSA-N 0 3 482.654 3.264 20 0 JGADHN C[C@H](CCn1c(-c2cnccn2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)N(C)Cc1ccccc1 ZINC001303666021 1068199384 /nfs/dbraw/zinc/19/93/84/1068199384.db2.gz WELSZPYATWIAIM-IFMALSPDSA-N 0 3 497.669 3.049 20 0 JGADHN C[C@@H](CCn1c(-c2ccccc2Cl)nnc1N(C)[C@H]1CCS(=O)(=O)C1)N1CCCCC1 ZINC001303666065 1068200052 /nfs/dbraw/zinc/20/00/52/1068200052.db2.gz WMSAQZLHGIWEBK-ROUUACIJSA-N 0 3 466.051 3.486 20 0 JGADHN C[C@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccccc1F)N1CCCCC1 ZINC001303666868 1068201507 /nfs/dbraw/zinc/20/15/07/1068201507.db2.gz FVTXCZJQAXXCGV-UXHICEINSA-N 0 3 493.649 3.099 20 0 JGADHN C[C@@H](CCn1c(CCCc2ccccc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)N1CCCCC1 ZINC001303668346 1068202868 /nfs/dbraw/zinc/20/28/68/1068202868.db2.gz ZESPFXICTHLAMP-JTHBVZDNSA-N 0 3 473.687 3.341 20 0 JGADHN C[C@@H](CCn1c([C@H]2CCCO2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)N(C)Cc1ccccc1 ZINC001303668007 1068202893 /nfs/dbraw/zinc/20/28/93/1068202893.db2.gz WQSWRWSCDNVFOR-MDNUFGMLSA-N 0 3 489.686 3.444 20 0 JGADHN C[C@H](CCn1c(CCCc2ccccc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)N1CCCCC1 ZINC001303668343 1068202979 /nfs/dbraw/zinc/20/29/79/1068202979.db2.gz ZESPFXICTHLAMP-FYYLOGMGSA-N 0 3 473.687 3.341 20 0 JGADHN C[C@@H]1CN(C)C(=O)CN1c1nnc(CSc2ccc(Cl)cc2)n1CCN1CCCCC1 ZINC001305121057 1068203608 /nfs/dbraw/zinc/20/36/08/1068203608.db2.gz GWORKGYMILQPRI-QGZVFWFLSA-N 0 3 463.051 3.377 20 0 JGADHN COC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001303669219 1068203895 /nfs/dbraw/zinc/20/38/95/1068203895.db2.gz FWZLUHFXWXHSDL-KNQAVFIVSA-N 0 3 452.448 3.481 20 0 JGADHN CC(C)N1CCN([C@H]2CCN(c3nnc(C4CC4)n3C[C@H](C)CN(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001303671467 1068205363 /nfs/dbraw/zinc/20/53/63/1068205363.db2.gz BZEBKJFGRQVYMU-IRLDBZIGSA-N 0 3 489.709 3.263 20 0 JGADHN C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2cccs2)N(C)C)CCN1CC(F)(F)F ZINC001305165162 1068275347 /nfs/dbraw/zinc/27/53/47/1068275347.db2.gz YOQZFSGQRBHBLF-WBVHZDCISA-N 0 3 482.580 3.116 20 0 JGADHN CC(C)N1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)CC(C)(C)C2)C1 ZINC001305183705 1068301872 /nfs/dbraw/zinc/30/18/72/1068301872.db2.gz RMSIDPITESPJDT-SLFFLAALSA-N 0 3 451.681 3.173 20 0 JGADHN C[C@H](CN1CCCC1)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)c(Cl)c1 ZINC001303745287 1068306190 /nfs/dbraw/zinc/30/61/90/1068306190.db2.gz NBUIYZMRPBSIAU-AEFFLSMTSA-N 0 3 484.041 3.341 20 0 JGADHN C[C@@H](CN1CCCC1)Cn1c(Cc2ccc(F)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001303746799 1068307985 /nfs/dbraw/zinc/30/79/85/1068307985.db2.gz WIUDWNAFCYEONP-SIKLNZKXSA-N 0 3 477.650 3.143 20 0 JGADHN C[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)CN1CCCCC1 ZINC001303753622 1068315239 /nfs/dbraw/zinc/31/52/39/1068315239.db2.gz NMYGYWVOMDEOHL-FYYLOGMGSA-N 0 3 473.687 3.199 20 0 JGADHN C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)CN1CCCCC1 ZINC001303754549 1068317170 /nfs/dbraw/zinc/31/71/70/1068317170.db2.gz INCYMPOQOWYLBK-GXRSIYKFSA-N 0 3 495.734 3.332 20 0 JGADHN C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](S(C)(=O)=O)C1)CN1CCCCC1 ZINC001303754546 1068317438 /nfs/dbraw/zinc/31/74/38/1068317438.db2.gz INCYMPOQOWYLBK-CIAFKFPVSA-N 0 3 495.734 3.332 20 0 JGADHN C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](c2cccs2)N(C)C)C[C@H](C)O1 ZINC001305211900 1068341809 /nfs/dbraw/zinc/34/18/09/1068341809.db2.gz VCLLJBUBSOPKJV-IXDOHACOSA-N 0 3 474.656 3.248 20 0 JGADHN C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC(C)(C)CN(C)C ZINC001303772573 1068350920 /nfs/dbraw/zinc/35/09/20/1068350920.db2.gz ACRVIYZELFUGNP-KRWDZBQOSA-N 0 3 474.631 3.057 20 0 JGADHN C[C@@H](N1CCN(c2nnc(Cc3ccsc3)n2CCN2CC=CCC2)CC1)C(F)(F)F ZINC001303792085 1068375797 /nfs/dbraw/zinc/37/57/97/1068375797.db2.gz CLPPDUVPOHLMKM-QGZVFWFLSA-N 0 3 454.566 3.265 20 0 JGADHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCN2CC=CCC2)C1 ZINC001303794458 1068379756 /nfs/dbraw/zinc/37/97/56/1068379756.db2.gz BPJJMMILPUPDKR-PWRODBHTSA-N 0 3 474.650 3.174 20 0 JGADHN C[C@@H]1SCCN(c2nnc(CN3CCCC3=O)n2CCN(C)Cc2ccc(F)cc2)[C@H]1C ZINC001305256974 1068420020 /nfs/dbraw/zinc/42/00/20/1068420020.db2.gz ILGQTSKJKACMFQ-ROUUACIJSA-N 0 3 460.623 3.002 20 0 JGADHN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC2CCCCC2)n1C[C@@H](c1ccccc1)N(C)C ZINC001303816396 1068428906 /nfs/dbraw/zinc/42/89/06/1068428906.db2.gz NOXIMCMVYBIPOV-NQIIRXRSSA-N 0 3 462.664 3.208 20 0 JGADHN CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](C)N2CCN(CC)CC2)C1 ZINC001305261968 1068432096 /nfs/dbraw/zinc/43/20/96/1068432096.db2.gz FUTUHAZZMXBINK-UXHICEINSA-N 0 3 488.080 3.120 20 0 JGADHN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)[C@H]3CCCC[C@H]32)n1CCN(C)Cc1ccc(F)cc1 ZINC001303827173 1068446421 /nfs/dbraw/zinc/44/64/21/1068446421.db2.gz OSCOXVZCRXOOMF-MOXQZVSFSA-N 0 3 492.665 3.174 20 0 JGADHN CC[C@](C)(O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C2CCCCC2)CC1 ZINC001305288245 1068490783 /nfs/dbraw/zinc/49/07/83/1068490783.db2.gz MIUGYJGATNXTME-VWLOTQADSA-N 0 3 489.064 3.477 20 0 JGADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCCCC3)CC2)n1CCC1=CCCCC1 ZINC001303862970 1068500854 /nfs/dbraw/zinc/50/08/54/1068500854.db2.gz MFQMRAHVKYIRBJ-LJQANCHMSA-N 0 3 464.680 3.234 20 0 JGADHN CC[C@@](C)(O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001305313696 1068526162 /nfs/dbraw/zinc/52/61/62/1068526162.db2.gz GDTMZQSYGCNQEC-FXWJEBAPSA-N 0 3 463.667 3.047 20 0 JGADHN CC[C@](C)(O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(C)C)CC1 ZINC001305314788 1068528470 /nfs/dbraw/zinc/52/84/70/1068528470.db2.gz JDDXBSDVAFEFML-CYFREDJKSA-N 0 3 464.655 3.289 20 0 JGADHN CC[C@@](C)(O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(C)C)CC1 ZINC001305314789 1068528549 /nfs/dbraw/zinc/52/85/49/1068528549.db2.gz JDDXBSDVAFEFML-YADARESESA-N 0 3 464.655 3.289 20 0 JGADHN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCC(C)(F)F ZINC001303897907 1068539502 /nfs/dbraw/zinc/53/95/02/1068539502.db2.gz MYODBODTSSLIJE-FXAWDEMLSA-N 0 3 494.562 3.345 20 0 JGADHN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCS(=O)(=O)CC2)n1C[C@H](C1CCCCC1)N(C)C ZINC001303901426 1068545019 /nfs/dbraw/zinc/54/50/19/1068545019.db2.gz JVSASZSGWDJSKS-PGRDOPGGSA-N 0 3 493.649 3.303 20 0 JGADHN CC[C@H](C)[C@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001305327315 1068550742 /nfs/dbraw/zinc/55/07/42/1068550742.db2.gz NPFXPFHPGAZYLT-UQBPGWFLSA-N 0 3 489.064 3.140 20 0 JGADHN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCNC(=O)C2)n1C[C@@H](c1cccs1)N(C)C ZINC001303914526 1068564933 /nfs/dbraw/zinc/56/49/33/1068564933.db2.gz ZXRDVIHBXMBQHZ-YJBOKZPZSA-N 0 3 475.018 3.372 20 0 JGADHN C[C@@H](Oc1ccccc1F)c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCCC1 ZINC001303916191 1068567722 /nfs/dbraw/zinc/56/77/22/1068567722.db2.gz DJZOJOQSLSSWLF-QUCCMNQESA-N 0 3 493.649 3.445 20 0 JGADHN CC[C@H](C)[C@](C)(O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001305340763 1068576120 /nfs/dbraw/zinc/57/61/20/1068576120.db2.gz XWBGKYAJYYUPEE-QYXIYQDXSA-N 0 3 476.065 3.478 20 0 JGADHN CC[C@H](C)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1)OC ZINC001305351008 1068594897 /nfs/dbraw/zinc/59/48/97/1068594897.db2.gz SAFAEJJLJWRPLY-WGWURMLHSA-N 0 3 486.661 3.287 20 0 JGADHN CC[C@H](C)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1)OC ZINC001305351320 1068595235 /nfs/dbraw/zinc/59/52/35/1068595235.db2.gz IYVHVUPZOMAJNM-ODGPQVTHSA-N 0 3 469.678 3.314 20 0 JGADHN CC[C@@H](C)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC(CN2CCOCC2)CC1)OC ZINC001305352377 1068599054 /nfs/dbraw/zinc/59/90/54/1068599054.db2.gz LGCDIYCAUOHNMK-XXBNENTESA-N 0 3 456.635 3.258 20 0 JGADHN CC[C@H](C)c1nnc(N(C)C[C@@H]2COc3ccccc3O2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001305390983 1068636183 /nfs/dbraw/zinc/63/61/83/1068636183.db2.gz GMRVWSKIGMNAFV-PWRODBHTSA-N 0 3 456.635 3.094 20 0 JGADHN CC[C@H](C)c1nnc(N(CC)Cc2nc3ccccc3c(=O)[nH]2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001305403985 1068644162 /nfs/dbraw/zinc/64/41/62/1068644162.db2.gz KQSCJQZPGDHRNS-PMACEKPBSA-N 0 3 480.661 3.493 20 0 JGADHN CC[C@H](C)c1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001305414805 1068653304 /nfs/dbraw/zinc/65/33/04/1068653304.db2.gz SAAUDZFXBDNNNL-BURNTYAHSA-N 0 3 477.698 3.167 20 0 JGADHN CC[C@H](C)c1nnc(N2CC[C@H](C(=O)OC)C2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001305426772 1068664179 /nfs/dbraw/zinc/66/41/79/1068664179.db2.gz QDDDKUXDBRMLLZ-ILWGZMRPSA-N 0 3 455.603 3.082 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CCCN1CCN(CC)CC1 ZINC001305430832 1068669268 /nfs/dbraw/zinc/66/92/68/1068669268.db2.gz MTEDPBLJGQGQJD-GCJKJVERSA-N 0 3 474.616 3.349 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCC(N(CC)S(C)(=O)=O)CC2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001305452777 1068688986 /nfs/dbraw/zinc/68/89/86/1068688986.db2.gz KJLJEBPQJRNZFQ-XMSQKQJNSA-N 0 3 494.681 3.484 20 0 JGADHN CC[C@@H](C)c1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CCNC(=O)c1ccc(C)c(F)c1 ZINC001305460933 1068703913 /nfs/dbraw/zinc/70/39/13/1068703913.db2.gz XUHRDMBVGGMPHD-OFNKIYASSA-N 0 3 499.679 3.274 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001305486268 1068723628 /nfs/dbraw/zinc/72/36/28/1068723628.db2.gz HISKOHLIXJZPFZ-BHDDXSALSA-N 0 3 475.726 3.196 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001305497407 1068733561 /nfs/dbraw/zinc/73/35/61/1068733561.db2.gz ZMKFPKBQUHJAIZ-IPJJNNNSSA-N 0 3 494.681 3.341 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCCN(C(=O)c3cccc(C)c3)CC2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001305501134 1068735877 /nfs/dbraw/zinc/73/58/77/1068735877.db2.gz NIGWCNYVWWDPPH-RPWUZVMVSA-N 0 3 495.716 3.479 20 0 JGADHN CC[C@H](C)c1nnc(N2CCCN(c3ncccc3F)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305504324 1068739529 /nfs/dbraw/zinc/73/95/29/1068739529.db2.gz HQZPHQXLEHKNJP-FQEVSTJZSA-N 0 3 472.657 3.068 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)c3ccccn3)CC2)n1C[C@@H](c1ccccc1)N(C)C ZINC001305509232 1068748197 /nfs/dbraw/zinc/74/81/97/1068748197.db2.gz FNPBAIAUHCVDIP-REWPJTCUSA-N 0 3 461.614 3.452 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCCOc1cccc(OC)c1 ZINC001305512674 1068755548 /nfs/dbraw/zinc/75/55/48/1068755548.db2.gz HLDMRHNVOPUGPD-OFNKIYASSA-N 0 3 484.645 3.012 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)CC3CCCCC3)CC2)n1CCCN1CCN(CC)CC1 ZINC001305513490 1068757824 /nfs/dbraw/zinc/75/78/24/1068757824.db2.gz JWPUUJSRTAXESS-HSZRJFAPSA-N 0 3 487.737 3.438 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@H](C)Oc1cccc(C)c1 ZINC001305513913 1068758930 /nfs/dbraw/zinc/75/89/30/1068758930.db2.gz MLQXRVBKYVZYRZ-FUDKSRODSA-N 0 3 468.646 3.310 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1Cc1c(F)cccc1SC ZINC001305514181 1068759564 /nfs/dbraw/zinc/75/95/64/1068759564.db2.gz NSQGFOSUGPWKDI-FXAWDEMLSA-N 0 3 474.650 3.444 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 ZINC001305514472 1068760086 /nfs/dbraw/zinc/76/00/86/1068760086.db2.gz PBBACTZSECFHHM-WOJBJXKFSA-N 0 3 498.672 3.162 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1cccc(CSC)c1 ZINC001305514738 1068761278 /nfs/dbraw/zinc/76/12/78/1068761278.db2.gz PWVUCMRWGDUWRC-HXUWFJFHSA-N 0 3 470.687 3.447 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)OCc3ccccc3)CC2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001305517424 1068766083 /nfs/dbraw/zinc/76/60/83/1068766083.db2.gz FYBWONADGQPXNO-GOTSBHOMSA-N 0 3 497.688 3.276 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(c3c(F)cccc3OC)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305520046 1068771360 /nfs/dbraw/zinc/77/13/60/1068771360.db2.gz BBHHXQOIZALVID-FQEVSTJZSA-N 0 3 487.668 3.292 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(c3cccc(OC)c3)CC2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001305522376 1068775008 /nfs/dbraw/zinc/77/50/08/1068775008.db2.gz IMZOKVVRBKJLQO-GOTSBHOMSA-N 0 3 483.705 3.400 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(c3cccc(OC)c3)CC2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001305522378 1068775036 /nfs/dbraw/zinc/77/50/36/1068775036.db2.gz IMZOKVVRBKJLQO-XZOQPEGZSA-N 0 3 483.705 3.400 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(c3ccc(F)cc3)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305527832 1068781997 /nfs/dbraw/zinc/78/19/97/1068781997.db2.gz QGILXAJGWGJZRH-FQEVSTJZSA-N 0 3 457.642 3.283 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(Cc3ccsc3)CC2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001305541025 1068811249 /nfs/dbraw/zinc/81/12/49/1068811249.db2.gz GUNVLSCIXUZDKV-NHCUHLMSSA-N 0 3 459.708 3.201 20 0 JGADHN CC[C@@H](C)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001305581407 1068852493 /nfs/dbraw/zinc/85/24/93/1068852493.db2.gz XQLCVUWWCBISSP-MOPGFXCFSA-N 0 3 476.691 3.208 20 0 JGADHN CC[C@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 ZINC001305617724 1068899606 /nfs/dbraw/zinc/89/96/06/1068899606.db2.gz MPTWMPYOOHXLLC-WAOWUJCRSA-N 0 3 496.077 3.142 20 0 JGADHN CC[C@@H](C)NC(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C2CCCC2)CC1 ZINC001305633010 1068940494 /nfs/dbraw/zinc/94/04/94/1068940494.db2.gz XCZLXBSOQJXNIJ-LJQANCHMSA-N 0 3 484.645 3.332 20 0 JGADHN CC[C@@H](c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1C[C@]1(O)CCC[C@H]1C)c1ccccc1 ZINC001305672855 1069021483 /nfs/dbraw/zinc/02/14/83/1069021483.db2.gz NXYWFXPBQALFNZ-MBEZDYHHSA-N 0 3 496.700 3.362 20 0 JGADHN CC[C@@H](c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1C[C@H]1CCC[C@H](O)C1)c1ccccc1 ZINC001305673056 1069022149 /nfs/dbraw/zinc/02/21/49/1069022149.db2.gz PJUVMUCVGSJKQV-ZKMPZPQNSA-N 0 3 496.700 3.362 20 0 JGADHN CC[C@@H](c1nnc(N2CCC[C@H](OC)C2)n1C[C@H](C)N1CCN(CC)CC1)c1ccccc1 ZINC001305676578 1069030537 /nfs/dbraw/zinc/03/05/37/1069030537.db2.gz SSBQUNMAERYLAB-OEMFJLHTSA-N 0 3 454.663 3.461 20 0 JGADHN CC[C@@H](c1nnc(Nc2ccn(C)n2)n1CCCN1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC001305681857 1069040230 /nfs/dbraw/zinc/04/02/30/1069040230.db2.gz DRGWDSCZUNUARZ-RTWAWAEBSA-N 0 3 464.618 3.240 20 0 JGADHN CC[C@H](c1nnc(N2CCS(=O)(=O)CC2)n1CCCN1CCCC[C@@H]1C)c1ccccc1 ZINC001305682040 1069040499 /nfs/dbraw/zinc/04/04/99/1069040499.db2.gz MJKITBOZQXDARC-UNMCSNQZSA-N 0 3 459.660 3.319 20 0 JGADHN CCC(CC)[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](C(=O)NC)C1)N1CCOCC1 ZINC001305704066 1069089641 /nfs/dbraw/zinc/08/96/41/1069089641.db2.gz JZVAQHMJCDTRGG-ISKFKSNPSA-N 0 3 498.672 3.053 20 0 JGADHN CCC(CC)[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](C(=O)OC)C1)N1CCOCC1 ZINC001305709313 1069104066 /nfs/dbraw/zinc/10/40/66/1069104066.db2.gz OPQWKFNERUNWQA-GGAORHGYSA-N 0 3 485.629 3.090 20 0 JGADHN CCC(CC)[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)N(C)C ZINC001305709408 1069104156 /nfs/dbraw/zinc/10/41/56/1069104156.db2.gz PCISPGIZQRZDGJ-NFBKMPQASA-N 0 3 484.670 3.483 20 0 JGADHN CCC(CC)[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)N(C)C ZINC001305709602 1069104731 /nfs/dbraw/zinc/10/47/31/1069104731.db2.gz QOHPBRVOOHGAAZ-NZQKXSOJSA-N 0 3 484.670 3.483 20 0 JGADHN CCC(CC)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)N(C)C ZINC001305713351 1069115377 /nfs/dbraw/zinc/11/53/77/1069115377.db2.gz UUHYRKIVYZVSDF-FGZHOGPDSA-N 0 3 479.666 3.388 20 0 JGADHN CCC(CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1C)N(C)C ZINC001305713473 1069116008 /nfs/dbraw/zinc/11/60/08/1069116008.db2.gz JAXSNSSLXNTVLU-YADHBBJMSA-N 0 3 461.676 3.491 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCC[C@H](C)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305720776 1069129711 /nfs/dbraw/zinc/12/97/11/1069129711.db2.gz RWSYHCPEVOHQNZ-FPOVZHCZSA-N 0 3 461.699 3.237 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CCCC(C)C ZINC001305735463 1069155949 /nfs/dbraw/zinc/15/59/49/1069155949.db2.gz HQMUZIDKYZRRKN-NFBKMPQASA-N 0 3 489.709 3.012 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CC(C)(OC)C2)n1CC1(N2CCSCC2)CCCCC1 ZINC001305736446 1069158104 /nfs/dbraw/zinc/15/81/04/1069158104.db2.gz PXWCLBUCGYDIQV-UHFFFAOYSA-N 0 3 478.707 3.173 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1CCOc1ncccc1Cl ZINC001305738192 1069162983 /nfs/dbraw/zinc/16/29/83/1069162983.db2.gz LVCYFWAMBABUEC-DLBZAZTESA-N 0 3 478.041 3.243 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)N(CC)C[C@@H]2C)n1Cc1nnc(C(C)(C)C)s1 ZINC001305742022 1069174938 /nfs/dbraw/zinc/17/49/38/1069174938.db2.gz UGGYDZJSYJTLAO-CVEARBPZSA-N 0 3 476.695 3.313 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1Cc1ccc(OC)c(F)c1 ZINC001305742620 1069177379 /nfs/dbraw/zinc/17/73/79/1069177379.db2.gz WDZIACDHDARORI-DLBZAZTESA-N 0 3 460.598 3.311 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1CCc1sc(C)nc1C ZINC001305742586 1069177466 /nfs/dbraw/zinc/17/74/66/1069177466.db2.gz WABBHYSNYQQGMN-JKSUJKDBSA-N 0 3 461.680 3.431 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@@H](O)CC3(CCCC3)C2)n1CCN1CCC(C)CC1 ZINC001305743169 1069179482 /nfs/dbraw/zinc/17/94/82/1069179482.db2.gz REUHNMJZOACINC-NRFANRHFSA-N 0 3 460.667 3.060 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC(c3cnn(CC)c3)CC2)n1CCN1CCCCC1 ZINC001305751991 1069199336 /nfs/dbraw/zinc/19/93/36/1069199336.db2.gz RAMICDSMBKMNAF-UHFFFAOYSA-N 0 3 470.666 3.283 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC(CN3CCOCC3)CC2)n1Cc1cscc1C ZINC001305754386 1069204596 /nfs/dbraw/zinc/20/45/96/1069204596.db2.gz GNHRBNVRGODQFI-UHFFFAOYSA-N 0 3 474.675 3.163 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC(O)(Cc3ccccc3F)CC2)n1CCN1CCCC1 ZINC001305758804 1069219613 /nfs/dbraw/zinc/21/96/13/1069219613.db2.gz LYLZZASOXCZWEA-UHFFFAOYSA-N 0 3 486.636 3.005 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(=O)OC)C2)n1C[C@@H]1CCCN1Cc1ccccc1 ZINC001305765669 1069237014 /nfs/dbraw/zinc/23/70/14/1069237014.db2.gz WPUSLVIKGCGAJQ-GGAORHGYSA-N 0 3 496.656 3.251 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCCCC1 ZINC001305777466 1069263095 /nfs/dbraw/zinc/26/30/95/1069263095.db2.gz ISCFLWUZUIIKEK-HXUWFJFHSA-N 0 3 491.681 3.176 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN([C@@H](C)c3ccsc3)CC2)n1CCN1CCCC1 ZINC001305782891 1069275411 /nfs/dbraw/zinc/27/54/11/1069275411.db2.gz SLEPOENPNQKKAF-IBGZPJMESA-N 0 3 473.691 3.237 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3F)CC2)n1C[C@@H]1CCCN1CC ZINC001305784569 1069281398 /nfs/dbraw/zinc/28/13/98/1069281398.db2.gz YEBGRLLMZMBATJ-FQEVSTJZSA-N 0 3 471.625 3.147 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3F)CC2)n1C[C@H]1CCCN1CC ZINC001305784570 1069281465 /nfs/dbraw/zinc/28/14/65/1069281465.db2.gz YEBGRLLMZMBATJ-HXUWFJFHSA-N 0 3 471.625 3.147 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCC(C)CC3)CC2)n1C[C@@](C)(O)C1CC1 ZINC001305784969 1069283342 /nfs/dbraw/zinc/28/33/42/1069283342.db2.gz CHQDLVJRVQYZKW-JBWFSBJDSA-N 0 3 460.667 3.058 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(CC(C)C)CC2)n1Cc1ccnc(N2CCCCC2)c1 ZINC001305785179 1069284781 /nfs/dbraw/zinc/28/47/81/1069284781.db2.gz ATLASWMEMXQKLB-UHFFFAOYSA-N 0 3 496.704 3.408 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CCOc1cccc(C)c1 ZINC001305785411 1069285749 /nfs/dbraw/zinc/28/57/49/1069285749.db2.gz FYIWUTQYQHOADT-NRFANRHFSA-N 0 3 498.672 3.273 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(CC(C)C)CC2)n1CCc1nc(C)c(C)s1 ZINC001305786100 1069289136 /nfs/dbraw/zinc/28/91/36/1069289136.db2.gz PMGKFPYMYKLXQB-UHFFFAOYSA-N 0 3 461.680 3.291 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(CC3CCCCC3)CC2)n1C[C@]1(C)CCCO1 ZINC001305788950 1069298316 /nfs/dbraw/zinc/29/83/16/1069298316.db2.gz YBYFGMOOLFNXKR-VWLOTQADSA-N 0 3 460.667 3.468 20 0 JGADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3ccc(Cl)nc3C(=O)OC)CC2)CC1 ZINC001164614825 719026068 /nfs/dbraw/zinc/02/60/68/719026068.db2.gz ZEIAIORDFPPPQQ-UHFFFAOYSA-N 0 3 459.921 3.310 20 0 JGADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cc(Cl)ncc3C(=O)OC)CC2)CC1 ZINC001164616516 719031367 /nfs/dbraw/zinc/03/13/67/719031367.db2.gz FACZTWBUUOBJSN-UHFFFAOYSA-N 0 3 459.921 3.310 20 0 JGADHN CC(C)N(C)Cc1nn(-c2cc([N-]S(=O)(=O)c3ccc(Cl)nc3)ccc2F)c2c1CC[NH2+]C2 ZINC001164679736 719645657 /nfs/dbraw/zinc/64/56/57/719645657.db2.gz LCFHGQUBGMDLQI-UHFFFAOYSA-N 0 3 493.008 3.347 20 0 JGADHN Cc1sc2nc(CN3CCOCC3)nc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c2c1C ZINC001164731498 720439879 /nfs/dbraw/zinc/43/98/79/720439879.db2.gz KYEOGKZQKODANC-SFTDATJTSA-N 0 3 464.639 3.389 20 0 JGADHN COc1cc2c(cc1OCc1ccccc1)ncnc2N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164746247 720644447 /nfs/dbraw/zinc/64/44/47/720644447.db2.gz WJUNUQIXJQJCGM-RTWAWAEBSA-N 0 3 484.560 3.349 20 0 JGADHN c1cc(C2OCCCO2)ccc1-c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164746885 720740508 /nfs/dbraw/zinc/74/05/08/720740508.db2.gz YVXOSQMETSTLHP-DHIUTWEWSA-N 0 3 459.550 3.316 20 0 JGADHN c1nc(CNC2CCC2)c2n1CCCN(c1nc(CN3CCOCC3)nc3sc4c(c31)CCC4)C2 ZINC001164837935 720740510 /nfs/dbraw/zinc/74/05/10/720740510.db2.gz OXKLHFFWSGPWRL-UHFFFAOYSA-N 0 3 493.681 3.261 20 0 JGADHN CCOC(=O)c1c(Cl)c2ccccc2nc1N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164745277 720757563 /nfs/dbraw/zinc/75/75/63/720757563.db2.gz UVCIWAMMSANEGT-HOTGVXAUSA-N 0 3 453.930 3.197 20 0 JGADHN c1ncc(O[C@H]2C[C@H]3CN(c4nc(CN5CCCCC5)nc5sc6c(c54)CCC6)CCN3C2)cn1 ZINC001164738611 720761573 /nfs/dbraw/zinc/76/15/73/720761573.db2.gz GIVGRAXOVUMQNG-OALUTQOASA-N 0 3 491.665 3.298 20 0 JGADHN c1cnc(-c2nc3sc4c(c3c(N3CCN5C[C@H](Oc6cncnc6)C[C@H]5C3)n2)CCCC4)cn1 ZINC001164750319 720790332 /nfs/dbraw/zinc/79/03/32/720790332.db2.gz VDVROHJLHXZNIY-DLBZAZTESA-N 0 3 486.605 3.159 20 0 JGADHN CCS(=O)(=O)c1ccnc(N2CC[C@@]3(CN(CC4CC4)C[C@@H]3COCc3cccnc3)C2)c1 ZINC001164755201 720940452 /nfs/dbraw/zinc/94/04/52/720940452.db2.gz ZTFKGPSHDUSYIL-RCZVLFRGSA-N 0 3 470.639 3.025 20 0 JGADHN CC(C)N(C)Cc1cnc2n1CCN(c1ncc3ccn(S(=O)(=O)c4ccccc4)c3n1)[C@H]2C ZINC001164864138 720994946 /nfs/dbraw/zinc/99/49/46/720994946.db2.gz XSVWCHSBOQFCIO-SFHVURJKSA-N 0 3 479.610 3.286 20 0 JGADHN CCOC(=O)c1sc2ncnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1C ZINC001164866087 721043324 /nfs/dbraw/zinc/04/33/24/721043324.db2.gz CNFLHMSIYKROFA-ROUUACIJSA-N 0 3 453.568 3.051 20 0 JGADHN Clc1nc(Cl)c2nc(Cl)nc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2n1 ZINC001164870456 721065761 /nfs/dbraw/zinc/06/57/61/721065761.db2.gz VYBXCNRYIFJSQC-CHWSQXEVSA-N 0 3 466.760 3.255 20 0 JGADHN COc1cc2nc(Cl)nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2cc1OC ZINC001164867977 721074056 /nfs/dbraw/zinc/07/40/56/721074056.db2.gz LOAMFIDFCFDLFB-SJORKVTESA-N 0 3 455.946 3.175 20 0 JGADHN CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866419 721082468 /nfs/dbraw/zinc/08/24/68/721082468.db2.gz TZWNZQDOWWZURN-ZWKOTPCHSA-N 0 3 467.957 3.335 20 0 JGADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)nc5c4ncn5Cc4ccccc4)C[C@H]3C2)cn1 ZINC001164773649 721100436 /nfs/dbraw/zinc/10/04/36/721100436.db2.gz XWZBEMDHUVKGJT-WOJBJXKFSA-N 0 3 462.989 3.220 20 0 JGADHN COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164866929 721120282 /nfs/dbraw/zinc/12/02/82/721120282.db2.gz VFOYCEVGTFAGGC-WOJBJXKFSA-N 0 3 483.613 3.232 20 0 JGADHN CCOC(=O)c1cnc2ccc(Cl)nc2c1N1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164766389 721123716 /nfs/dbraw/zinc/12/37/16/721123716.db2.gz KXUQKBZFSGAYCM-IAGOWNOFSA-N 0 3 454.962 3.152 20 0 JGADHN c1cncc(CO[C@H]2C[C@H]3CN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)CCN3C2)c1 ZINC001164869772 721160290 /nfs/dbraw/zinc/16/02/90/721160290.db2.gz BIEZVDMSTUVEAV-VXKWHMMOSA-N 0 3 459.550 3.180 20 0 JGADHN CCOC(=O)c1ccc2nc(Cl)nc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)c2c1 ZINC001164773383 721187794 /nfs/dbraw/zinc/18/77/94/721187794.db2.gz WWIYBDLOCQXSBD-QZTJIDSGSA-N 0 3 454.962 3.152 20 0 JGADHN CCOC(=O)c1sc2nc(C)nc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2c1C ZINC001164773362 721195312 /nfs/dbraw/zinc/19/53/12/721195312.db2.gz WPVSESIEEGEPIL-MSOLQXFVSA-N 0 3 454.600 3.177 20 0 JGADHN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncnc5c4ccn5Cc4ccc(F)cc4)C3)O2)CC1 ZINC001164884590 721417311 /nfs/dbraw/zinc/41/73/11/721417311.db2.gz FCECOCUSVLXSQH-KCWPFWIISA-N 0 3 478.616 3.384 20 0 JGADHN CC[C@@H]1C(=O)N(C)c2cnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nc2N1C1CCCC1 ZINC001164904078 721533440 /nfs/dbraw/zinc/53/34/40/721533440.db2.gz FDPVJKXLCTUVKT-MDNUFGMLSA-N 0 3 494.615 3.462 20 0 JGADHN Cc1cc2nc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164904115 721542312 /nfs/dbraw/zinc/54/23/12/721542312.db2.gz FGCZQZVYYCWOLU-ICSRJNTNSA-N 0 3 469.586 3.317 20 0 JGADHN O=S(=O)(c1ccccc1)n1ccc2cnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nc21 ZINC001164911563 721551188 /nfs/dbraw/zinc/55/11/88/721551188.db2.gz XJPOSWYGVKNYJH-UNMCSNQZSA-N 0 3 493.564 3.149 20 0 JGADHN CCC(C)(C)NS(=O)(=O)c1ccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164907239 721555953 /nfs/dbraw/zinc/55/59/53/721555953.db2.gz MYLRPCPDDRUIQR-AZUAARDMSA-N 0 3 462.591 3.030 20 0 JGADHN Fc1cccc(O[C@H]2C[C@H]3CN(c4cc(N5CCN(c6ccccc6F)CC5)ncn4)CCN3C2)c1 ZINC001164911036 721556529 /nfs/dbraw/zinc/55/65/29/721556529.db2.gz YEDTXYJTPNFEAG-GMAHTHKFSA-N 0 3 492.574 3.423 20 0 JGADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4cc(N5CCN(c6ccccc6F)CC5)ncn4)CCN3C2)c1 ZINC001164911039 721557112 /nfs/dbraw/zinc/55/71/12/721557112.db2.gz YEDTXYJTPNFEAG-JTHBVZDNSA-N 0 3 492.574 3.423 20 0 JGADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)CCN3C2)c1 ZINC001164909158 721561574 /nfs/dbraw/zinc/56/15/74/721561574.db2.gz SCWSFAZWFJDXMM-UKILVPOCSA-N 0 3 475.568 3.461 20 0 JGADHN COc1cccc(CN2C[C@@H]3CCN(c4ncccc4CN4CCCC4)CC[C@H]3S2(=O)=O)c1 ZINC001164805635 721592987 /nfs/dbraw/zinc/59/29/87/721592987.db2.gz LHVMFCCJGOHKFT-XUZZJYLKSA-N 0 3 470.639 3.117 20 0 JGADHN FC(F)(c1cc(Cl)nc(=S)[nH]1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164963268 722058835 /nfs/dbraw/zinc/05/88/35/722058835.db2.gz UYIHWBVVIOFVPH-UHFFFAOYSA-N 0 3 455.962 3.478 20 0 JGADHN O=C(c1cc(Cl)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1)N1CCCCC1 ZINC001164980778 722105658 /nfs/dbraw/zinc/10/56/58/722105658.db2.gz KJRMVHCKWYVBPW-IRLDBZIGSA-N 0 3 470.017 3.483 20 0 JGADHN c1ccc(CN2CCc3c(ncnc3N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)C2)cc1 ZINC001164970874 722112211 /nfs/dbraw/zinc/11/22/11/722112211.db2.gz AFMHEMQHVIOLKR-SQHAQQRYSA-N 0 3 470.621 3.157 20 0 JGADHN CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164979773 722119328 /nfs/dbraw/zinc/11/93/28/722119328.db2.gz PVOMIGYYVKBVKO-IRLDBZIGSA-N 0 3 478.597 3.100 20 0 JGADHN CC(C)(C)NC(=O)c1cc(Cl)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164971893 722125204 /nfs/dbraw/zinc/12/52/04/722125204.db2.gz DCDPEDQXYPPSCR-UYAOXDASSA-N 0 3 458.006 3.386 20 0 JGADHN FC(F)(c1ccc2ncnc(Cl)c2n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981975 722127050 /nfs/dbraw/zinc/12/70/50/722127050.db2.gz VLCAXKZHIJHRKY-FUHWJXTLSA-N 0 3 460.916 3.345 20 0 JGADHN COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164974370 722133642 /nfs/dbraw/zinc/13/36/42/722133642.db2.gz DKQLYIHFHJBONO-NFBKMPQASA-N 0 3 497.640 3.480 20 0 JGADHN FC(F)(c1cnc2c(Cl)ncnc2c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984218 722135684 /nfs/dbraw/zinc/13/56/84/722135684.db2.gz WMFYOQBAWSHPRY-VQIMIIECSA-N 0 3 460.916 3.345 20 0 JGADHN CC(C)(C)OC(=O)Nc1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c2[nH]cnc21 ZINC001164978042 722137592 /nfs/dbraw/zinc/13/75/92/722137592.db2.gz JIKWZGMPMILFLL-ICSRJNTNSA-N 0 3 479.585 3.427 20 0 JGADHN COc1ccc(Cn2cc3[nH]c(N4CC[C@@H]5CN(Cc6cccnc6)CCO[C@@H]5C4)ccc-3c2=O)cc1 ZINC001164983806 722137681 /nfs/dbraw/zinc/13/76/81/722137681.db2.gz VDEXBHQBJVWPRH-YIXXDRMTSA-N 0 3 499.615 3.369 20 0 JGADHN FC(F)[C@](F)(COc1cncc(Cl)n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164983815 722146276 /nfs/dbraw/zinc/14/62/76/722146276.db2.gz VJPXHQKCMRKGSP-FIKGOQFSSA-N 0 3 471.911 3.058 20 0 JGADHN Cc1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001164981582 722151229 /nfs/dbraw/zinc/15/12/29/722151229.db2.gz PJSQPKDUDRQXRV-DHIUTWEWSA-N 0 3 458.566 3.160 20 0 JGADHN c1cncc(CN2CCO[C@@H]3CN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)CC[C@@H]3C2)c1 ZINC001164981568 722151398 /nfs/dbraw/zinc/15/13/98/722151398.db2.gz PJKWPACELFIBJJ-SHQCIBLASA-N 0 3 486.620 3.103 20 0 JGADHN c1cncc(CN2CCO[C@H]3CN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)CC[C@@H]3C2)c1 ZINC001164981576 722151466 /nfs/dbraw/zinc/15/14/66/722151466.db2.gz PJKWPACELFIBJJ-SQHAQQRYSA-N 0 3 486.620 3.103 20 0 JGADHN CC1(C)NC(=O)N(Cc2ccc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)nc2)C1=O ZINC001164995994 722209305 /nfs/dbraw/zinc/20/93/05/722209305.db2.gz RFMLEGGODLNBEN-VWLOTQADSA-N 0 3 451.546 3.296 20 0 JGADHN CC[C@H](Cn1c(C(C)C)nnc1N1CCN(C2CCOCC2)C[C@H]1C)NC(=O)OC(C)(C)C ZINC001305804015 1069328688 /nfs/dbraw/zinc/32/86/88/1069328688.db2.gz FDILBHSCTBPHOM-RTBURBONSA-N 0 3 464.655 3.394 20 0 JGADHN CC[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C[C@H]2CCOC2)CC1)OC ZINC001305808213 1069337488 /nfs/dbraw/zinc/33/74/88/1069337488.db2.gz JHUHUUNZHPATHD-VAMGGRTRSA-N 0 3 461.582 3.141 20 0 JGADHN CC[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CCCO)CC1)N1CCCC1 ZINC001305813339 1069344333 /nfs/dbraw/zinc/34/43/33/1069344333.db2.gz CSFOXJQLBUTYLG-JOCHJYFZSA-N 0 3 489.686 3.212 20 0 JGADHN CC[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@](C)(OC)C1)N1CCCC1 ZINC001305814052 1069345149 /nfs/dbraw/zinc/34/51/49/1069345149.db2.gz GJQWNLXQLFUTRJ-YKSBVNFPSA-N 0 3 475.659 3.228 20 0 JGADHN CC[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCS(=O)(=O)CC)N1CCCC1 ZINC001305814919 1069347372 /nfs/dbraw/zinc/34/73/72/1069347372.db2.gz IDKGBHCBAKKHAO-KRWDZBQOSA-N 0 3 472.030 3.483 20 0 JGADHN CC[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1)OC ZINC001305839160 1069384355 /nfs/dbraw/zinc/38/43/55/1069384355.db2.gz VGYWGQPQDIBDHR-UXHICEINSA-N 0 3 476.616 3.177 20 0 JGADHN CC[C@]1(C)CN(c2nnc([C@H]3CCCOC3)n2C[C@H](c2cccc(OC)c2)N(C)C)CCO1 ZINC001305887173 1069443688 /nfs/dbraw/zinc/44/36/88/1069443688.db2.gz KNJRNZGZVXXQRG-NIRIFSCTSA-N 0 3 457.619 3.489 20 0 JGADHN CCc1ccc([C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]2CC)N(C)C)cc1 ZINC001305916806 1069471469 /nfs/dbraw/zinc/47/14/69/1069471469.db2.gz NGOYYJGHLFIOBW-YYWHXJBOSA-N 0 3 462.664 3.132 20 0 JGADHN CCc1ccc(-c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)CN2CCCCC2)cc1 ZINC001305917757 1069472494 /nfs/dbraw/zinc/47/24/94/1069472494.db2.gz MGOYCWULGYGNSX-DENIHFKCSA-N 0 3 459.660 3.253 20 0 JGADHN CCc1ccc([C@@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCC2CCOCC2)N(C)C)cc1 ZINC001305920636 1069476399 /nfs/dbraw/zinc/47/63/99/1069476399.db2.gz TVWQZACDHTYPQX-XZOQPEGZSA-N 0 3 468.646 3.347 20 0 JGADHN CCc1ccc([C@H](Cn2c(Cc3ccncc3)nnc2N2CCN(C(=O)OC)[C@@H](C)C2)N(C)C)cc1 ZINC001305921413 1069477512 /nfs/dbraw/zinc/47/75/12/1069477512.db2.gz YOPUIWRKSMUVBV-RDPSFJRHSA-N 0 3 491.640 3.406 20 0 JGADHN CN(CC(F)(F)F)c1nnc(Cc2ccncc2)n1Cc1ccccc1CN1CCC(O)CC1 ZINC001298252090 1064151617 /nfs/dbraw/zinc/15/16/17/1064151617.db2.gz NYJYEMMQSWBDEN-UHFFFAOYSA-N 0 3 474.531 3.267 20 0 JGADHN CN(C)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cc(Cl)ccn1)C1CC1 ZINC001298261621 1064156888 /nfs/dbraw/zinc/15/68/88/1064156888.db2.gz KEMQCVSCVOLEGA-NRFANRHFSA-N 0 3 489.045 3.374 20 0 JGADHN CN(C)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cc(F)c(F)c(F)c2)CCCCC1 ZINC001298268886 1064161321 /nfs/dbraw/zinc/16/13/21/1064161321.db2.gz DJFZBPIKDSJEDN-KRWDZBQOSA-N 0 3 499.603 3.498 20 0 JGADHN O=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)NC[C@@H]1CCCCN1CCO ZINC001298289725 1064175426 /nfs/dbraw/zinc/17/54/26/1064175426.db2.gz USGKXLDSTPYXDV-IBGZPJMESA-N 0 3 456.974 3.232 20 0 JGADHN CN(C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(C(N)=O)cc1)c1cccs1 ZINC001298292387 1064177563 /nfs/dbraw/zinc/17/75/63/1064177563.db2.gz MRDWTDVCBBTQIB-RBUKOAKNSA-N 0 3 454.600 3.229 20 0 JGADHN CN(C)[C@@H](Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1)c1cccs1 ZINC001298317394 1064192964 /nfs/dbraw/zinc/19/29/64/1064192964.db2.gz SLFMSVOTFUMCOU-ICSRJNTNSA-N 0 3 489.667 3.186 20 0 JGADHN CN1C[C@H]2CCN(C(=O)c3ccc(CNS(=O)(=O)c4ccc(C(C)(C)C)cc4)cc3)[C@@H]2C1 ZINC001298378288 1064225345 /nfs/dbraw/zinc/22/53/45/1064225345.db2.gz XIZIYSVASVMQQB-NFBKMPQASA-N 0 3 455.624 3.239 20 0 JGADHN O=C(Cc1ccccc1)NCC(=O)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001298397064 1064232670 /nfs/dbraw/zinc/23/26/70/1064232670.db2.gz UNZPKCYDYOFLGP-SANMLTNESA-N 0 3 456.590 3.434 20 0 JGADHN CN(Cc1ncnn1CC(F)F)c1nnc(C(C)(C)C)n1C[C@H](c1ccco1)N1CCCC1 ZINC001298462399 1064263766 /nfs/dbraw/zinc/26/37/66/1064263766.db2.gz PYDVGTFTWXOCEA-MRXNPFEDSA-N 0 3 462.549 3.499 20 0 JGADHN CN(C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ncnn1CC(F)F)c1cccs1 ZINC001298462518 1064264203 /nfs/dbraw/zinc/26/42/03/1064264203.db2.gz RPNAFABBBGWFNR-OAHLLOKOSA-N 0 3 461.546 3.131 20 0 JGADHN CN(CC1CC1)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN1CCN(C)C(C)(C)C1 ZINC001298517019 1064286974 /nfs/dbraw/zinc/28/69/74/1064286974.db2.gz LBBHNJLYRCVFJQ-FQEVSTJZSA-N 0 3 475.682 3.222 20 0 JGADHN CN(C)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CCCC1)C1CCCCC1 ZINC001298527279 1064293197 /nfs/dbraw/zinc/29/31/97/1064293197.db2.gz KJVJHEKVFXCWOS-RTWAWAEBSA-N 0 3 451.681 3.317 20 0 JGADHN CN(C)[C@@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CC2CCCCC2)CCSC1 ZINC001298528228 1064293866 /nfs/dbraw/zinc/29/38/66/1064293866.db2.gz TZEPQMCVPUTLPF-HSZRJFAPSA-N 0 3 457.648 3.379 20 0 JGADHN CN(C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCc1cccs1)c1ccc(F)cc1 ZINC001298623720 1064396176 /nfs/dbraw/zinc/39/61/76/1064396176.db2.gz HBEPPVODSXNGBD-VQTJNVASSA-N 0 3 456.591 3.412 20 0 JGADHN CN(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC=C(C(F)(F)F)CC1)Cc1ccc(F)cc1 ZINC001298705395 1064510292 /nfs/dbraw/zinc/51/02/92/1064510292.db2.gz GWRYSROYYFPPQL-SFHVURJKSA-N 0 3 466.483 3.199 20 0 JGADHN CN(CCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(F)F)CC1)Cc1ccc(F)cc1 ZINC001298709555 1064515749 /nfs/dbraw/zinc/51/57/49/1064515749.db2.gz UBDHOFGKAWYMJR-HXUWFJFHSA-N 0 3 466.552 3.178 20 0 JGADHN CN(CCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(F)F)CC1)Cc1ccc(F)cc1 ZINC001298709554 1064515909 /nfs/dbraw/zinc/51/59/09/1064515909.db2.gz UBDHOFGKAWYMJR-FQEVSTJZSA-N 0 3 466.552 3.178 20 0 JGADHN CN(CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)Cc1ccc(F)cc1 ZINC001298712339 1064519187 /nfs/dbraw/zinc/51/91/87/1064519187.db2.gz BAZZMKBAMVYKCU-UNMCSNQZSA-N 0 3 486.636 3.184 20 0 JGADHN CN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(F)(F)F)C1)C1CCCCC1 ZINC001298714215 1064522982 /nfs/dbraw/zinc/52/29/82/1064522982.db2.gz LGKTWWGWQGRBLJ-IRXDYDNUSA-N 0 3 477.597 3.223 20 0 JGADHN CN(CCn1c(CCOc2ccccc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)C1CCCC1 ZINC001298717792 1064528651 /nfs/dbraw/zinc/52/86/51/1064528651.db2.gz RRGWRLJPVMIIOR-QHCPKHFHSA-N 0 3 489.686 3.178 20 0 JGADHN CN(CCn1c(N2CCC(NC(=O)C3CC3)CC2)nnc1C(C)(C)C)Cc1ccc(F)cc1 ZINC001298719489 1064529865 /nfs/dbraw/zinc/52/98/65/1064529865.db2.gz LILOAZMQXCLVID-UHFFFAOYSA-N 0 3 456.610 3.342 20 0 JGADHN CC(C)Oc1ccc([C@H](CNC(=O)[C@@H](C)[C@@H](O)CN(C)C(=O)OC(C)(C)C)N(C)C)cc1 ZINC001298722317 1064533110 /nfs/dbraw/zinc/53/31/10/1064533110.db2.gz LZVVSZYUXMIGOI-YYWHXJBOSA-N 0 3 451.608 3.057 20 0 JGADHN CN(CCN1CCOC(C)(C)C1)c1nnc(-c2ccccc2Cl)n1CCCCN1CCOCC1 ZINC001298728691 1064541950 /nfs/dbraw/zinc/54/19/50/1064541950.db2.gz ZRIXMLHFGLHKDT-UHFFFAOYSA-N 0 3 491.080 3.258 20 0 JGADHN CN(CCS(C)(=O)=O)c1nnc(-c2c[nH]c3ccccc23)n1CC(C)(C)CN1CCCC1 ZINC001298779200 1064584324 /nfs/dbraw/zinc/58/43/24/1064584324.db2.gz YUDATBSAFYVUBQ-UHFFFAOYSA-N 0 3 458.632 3.029 20 0 JGADHN Cn1cc(Br)cc1-c1nnc(N2CCN(C(C)(C)C)CC2)n1CCCO[C@@H]1CCOC1 ZINC001298801974 1064600670 /nfs/dbraw/zinc/60/06/70/1064600670.db2.gz VBEXHFLXGOVKLE-GOSISDBHSA-N 0 3 495.466 3.162 20 0 JGADHN CN(C)C[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccc(F)cc1 ZINC001298814619 1064616664 /nfs/dbraw/zinc/61/66/64/1064616664.db2.gz WJOLYKCAVUHDLE-IBGZPJMESA-N 0 3 453.605 3.023 20 0 JGADHN CN(CCCN(C)C(=O)COc1ccc(I)cc1)Cc1ccncc1 ZINC001298845796 1064649426 /nfs/dbraw/zinc/64/94/26/1064649426.db2.gz FEXVBICBMNUKEJ-UHFFFAOYSA-N 0 3 453.324 3.046 20 0 JGADHN CN(CCCN(C)C(=O)[C@@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2)Cc1ccncc1 ZINC001298846877 1064650384 /nfs/dbraw/zinc/65/03/84/1064650384.db2.gz QFZCILFBLYWYMN-OZXSUGGESA-N 0 3 450.583 3.411 20 0 JGADHN COc1cccc([C@H]2[C@H](C(=O)N(C)CCCN(C)Cc3ccncc3)CC(=O)N2C2CC2)c1 ZINC001298847728 1064652069 /nfs/dbraw/zinc/65/20/69/1064652069.db2.gz WWFIJTUAGDORAH-NOZRDPDXSA-N 0 3 450.583 3.123 20 0 JGADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CCSc2ccccc2)CC1 ZINC001298885679 1064692016 /nfs/dbraw/zinc/69/20/16/1064692016.db2.gz ATVRHCDRFKXJOY-FQEVSTJZSA-N 0 3 456.660 3.111 20 0 JGADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC(C)(F)F)CC1 ZINC001298886164 1064692963 /nfs/dbraw/zinc/69/29/63/1064692963.db2.gz DQGPQPKBJKZAGW-IBGZPJMESA-N 0 3 496.990 3.299 20 0 JGADHN CN1CCN(CCn2c(C3CCCC3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1(C)C ZINC001298897333 1064703585 /nfs/dbraw/zinc/70/35/85/1064703585.db2.gz MGPMPCYPMBIJMX-FQEVSTJZSA-N 0 3 475.682 3.065 20 0 JGADHN CN1CCN(CCn2c(C3CCCC3)nnc2N2CCN(C(=O)OC(C)(C)C)CC2)CC1(C)C ZINC001298897396 1064703977 /nfs/dbraw/zinc/70/39/77/1064703977.db2.gz MPJXMSUBLUJIKZ-UHFFFAOYSA-N 0 3 475.682 3.019 20 0 JGADHN Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CCC(=O)NC[C@@H](c1ccc(CC(C)C)cc1)N(C)C ZINC001298901563 1064705508 /nfs/dbraw/zinc/70/55/08/1064705508.db2.gz UIKWVINLBBLRFF-QFIPXVFZSA-N 0 3 451.615 3.429 20 0 JGADHN CC(C)Cc1ccc([C@H](CNC(=O)c2c(I)cnn2C)N(C)C)cc1 ZINC001298902020 1064706068 /nfs/dbraw/zinc/70/60/68/1064706068.db2.gz ZQJQJIJPOZIMEU-KRWDZBQOSA-N 0 3 454.356 3.256 20 0 JGADHN Cn1nc(C(F)(F)F)c(Cl)c1Cn1c([C@H]2CCOC2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001298903097 1064707642 /nfs/dbraw/zinc/70/76/42/1064707642.db2.gz KWXHDZJRZQWFCW-ZDUSSCGKSA-N 0 3 475.947 3.157 20 0 JGADHN CN1CCN(CCn2c(CCOc3ccccc3)nnc2N2CCC(F)(F)CC2)CC1(C)C ZINC001298903113 1064707845 /nfs/dbraw/zinc/70/78/45/1064707845.db2.gz LKRZCKSNZOCBRH-UHFFFAOYSA-N 0 3 462.589 3.161 20 0 JGADHN CNC(=O)[C@@H](C)CN(C)c1nnc(Cc2ccsc2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001298988825 1064772017 /nfs/dbraw/zinc/77/20/17/1064772017.db2.gz FUZQZTUTUAWBLR-OXJNMPFZSA-N 0 3 458.607 3.191 20 0 JGADHN CCN1CCCN(C(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)[C@@H](C)C1 ZINC001299008999 1064793416 /nfs/dbraw/zinc/79/34/16/1064793416.db2.gz DAMQSZPVTXHCBK-GBXCKJPGSA-N 0 3 455.624 3.053 20 0 JGADHN CCN1CCCN(C(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)[C@H](C)C1 ZINC001299009002 1064793678 /nfs/dbraw/zinc/79/36/78/1064793678.db2.gz DAMQSZPVTXHCBK-YKSBVNFPSA-N 0 3 455.624 3.053 20 0 JGADHN CNC(=O)[C@]1(C)CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC001299029017 1064814516 /nfs/dbraw/zinc/81/45/16/1064814516.db2.gz QTNDNNICXMSVEY-SQJMNOBHSA-N 0 3 481.670 3.208 20 0 JGADHN CNC(=O)[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2CCCN2CCc3ccccc3C2)C1 ZINC001299084302 1064887372 /nfs/dbraw/zinc/88/73/72/1064887372.db2.gz DYMOUIQPLSKAJL-JOCHJYFZSA-N 0 3 452.647 3.278 20 0 JGADHN CO[C@@]1(C)CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001299748786 1064948182 /nfs/dbraw/zinc/94/81/82/1064948182.db2.gz FAEBKASCPDUHFJ-QFIPXVFZSA-N 0 3 494.482 3.067 20 0 JGADHN COC1(C)CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)N2CCC[C@H](C)C2)C1 ZINC001299779273 1064978438 /nfs/dbraw/zinc/97/84/38/1064978438.db2.gz HBNPSXKOXHZBMG-SFHVURJKSA-N 0 3 475.659 3.084 20 0 JGADHN COC1(Cn2c(C(C)C)nnc2N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)CCCCC1 ZINC001299794030 1064990580 /nfs/dbraw/zinc/99/05/80/1064990580.db2.gz AKLFJBFZIXPKJG-UNMCSNQZSA-N 0 3 460.667 3.130 20 0 JGADHN CO[C@]1(Cn2c(-c3cc(F)ccc3Br)nnc2N2CCN(CC(C)C)CC2)CCOC1 ZINC001299798368 1064996301 /nfs/dbraw/zinc/99/63/01/1064996301.db2.gz NEEWYGRNJSZSQB-QFIPXVFZSA-N 0 3 496.425 3.430 20 0 JGADHN CO[C@]1(Cn2c(-c3ccccc3Br)nnc2N2CCN(CC(C)C)CC2)CCOC1 ZINC001299801405 1064999677 /nfs/dbraw/zinc/99/96/77/1064999677.db2.gz LFYACSVZJAXIBF-QFIPXVFZSA-N 0 3 478.435 3.291 20 0 JGADHN COC1(Cn2c(N3C[C@@H](C)[C@@H](N4CCCN(C(C)=O)CC4)C3)nnc2C(C)(C)C)CCCCC1 ZINC001299820001 1065013578 /nfs/dbraw/zinc/01/35/78/1065013578.db2.gz BLGBWMULJVPKRA-IRLDBZIGSA-N 0 3 474.694 3.304 20 0 JGADHN COc1cc(C)nc(N2CCN(c3nnc(C(C)C)n3C[C@@H](c3ccccc3)N(C)C)CC2)n1 ZINC001299835275 1065026982 /nfs/dbraw/zinc/02/69/82/1065026982.db2.gz XJCXRHOULHOUNX-NRFANRHFSA-N 0 3 464.618 3.138 20 0 JGADHN COc1cc(-c2nnc(N3C[C@H](OC)C(C)(C)C3)n2CCN2CC=CCC2)cc(OC)c1OC ZINC001299843253 1065040335 /nfs/dbraw/zinc/04/03/35/1065040335.db2.gz IBYJGHHNNBFHTP-NRFANRHFSA-N 0 3 471.602 3.094 20 0 JGADHN COc1cc(-c2nnc(N3CCN(CC(C)C)CC3)n2C[C@](C)(O)c2ccco2)cc(OC)c1OC ZINC001299857753 1065067894 /nfs/dbraw/zinc/06/78/94/1065067894.db2.gz XHCWRVFVJAMGPS-SANMLTNESA-N 0 3 499.612 3.250 20 0 JGADHN COc1cc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@H]2COCCO2)ccc1OC(C)C ZINC001299858031 1065069490 /nfs/dbraw/zinc/06/94/90/1065069490.db2.gz HDYWLPGWXYSEDZ-FQEVSTJZSA-N 0 3 473.618 3.077 20 0 JGADHN COc1cc(-c2nnc(N3CCN(C4CCCC4)CC3)n2CCCNC(C)=O)ccc1OC(C)C ZINC001299858974 1065071765 /nfs/dbraw/zinc/07/17/65/1065071765.db2.gz WFBZIAYKAQVUCK-UHFFFAOYSA-N 0 3 484.645 3.332 20 0 JGADHN COc1cc(N(C)c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCCC2)cc(OC)c1OC ZINC001299920547 1065172779 /nfs/dbraw/zinc/17/27/79/1065172779.db2.gz MJIDZWRRIDTWKW-UHFFFAOYSA-N 0 3 495.584 3.205 20 0 JGADHN COc1cc(OC)c(CCn2c(N3CCN(CC4CC4)CC3)nnc2C(C)(C)C)c(OC)c1 ZINC001299925985 1065185924 /nfs/dbraw/zinc/18/59/24/1065185924.db2.gz YBDJBKOHBUBPGC-UHFFFAOYSA-N 0 3 457.619 3.376 20 0 JGADHN CCN1C(=O)N=NC1C1CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC001299926612 1065187195 /nfs/dbraw/zinc/18/71/95/1065187195.db2.gz XEXKJZQGYUYVTH-OAQYLSRUSA-N 0 3 451.493 3.164 20 0 JGADHN COc1cc(OC)cc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@H](c2cccs2)N(C)C)c1 ZINC001299944981 1065216482 /nfs/dbraw/zinc/21/64/82/1065216482.db2.gz NLUICCPECOQOPM-DYESRHJHSA-N 0 3 498.653 3.419 20 0 JGADHN COc1cc(OC)cc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@@H](c2cccs2)N(C)C)c1 ZINC001299944985 1065217054 /nfs/dbraw/zinc/21/70/54/1065217054.db2.gz NLUICCPECOQOPM-UTKZUKDTSA-N 0 3 498.653 3.419 20 0 JGADHN COc1cc(OC)cc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@]2(O)CCC[C@@H]2C)c1 ZINC001299951942 1065230445 /nfs/dbraw/zinc/23/04/45/1065230445.db2.gz WYEGVJFPKCXZQT-AVRWGWEMSA-N 0 3 457.619 3.434 20 0 JGADHN COc1cc(OC)cc(-c2nnc(N3CCN(CC(C)C)CC3)n2CCCc2nc(C)no2)c1 ZINC001299952321 1065231575 /nfs/dbraw/zinc/23/15/75/1065231575.db2.gz NKNFVRYVXRKXNW-UHFFFAOYSA-N 0 3 469.590 3.065 20 0 JGADHN COc1cc(OC)cc(-c2nnc(N3CCN(C[C@@H]4CCOC4)CC3)n2CCCC(F)(F)F)c1 ZINC001299953255 1065234040 /nfs/dbraw/zinc/23/40/40/1065234040.db2.gz XKMKBMMNXOFUEU-KRWDZBQOSA-N 0 3 483.535 3.463 20 0 JGADHN COc1cc(OC)cc(N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H](C)N2CCCCC2)c1 ZINC001299959081 1065238784 /nfs/dbraw/zinc/23/87/84/1065238784.db2.gz YYGDFOMHPGRYOT-RBUKOAKNSA-N 0 3 491.658 3.230 20 0 JGADHN COc1ccc(Br)c(-c2nnc(N3CCN(CC(C)C)CC3)n2CCCNC(C)=O)c1 ZINC001299974565 1065265646 /nfs/dbraw/zinc/26/56/46/1065265646.db2.gz WRGQVOZGCXKOFJ-UHFFFAOYSA-N 0 3 493.450 3.020 20 0 JGADHN COc1ccc(C(C)(C)Cn2c(CN3CCCC3=O)nnc2N2CCN(C(C)(C)C)CC2)cc1 ZINC001299982140 1065282672 /nfs/dbraw/zinc/28/26/72/1065282672.db2.gz ZZOCWOMQEZXFPZ-UHFFFAOYSA-N 0 3 468.646 3.307 20 0 JGADHN Cc1ccc(F)c(CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCN2CCC[C@@H]2C)c1 ZINC001492208559 1065323007 /nfs/dbraw/zinc/32/30/07/1065323007.db2.gz VBTJAXZHQOSCSW-SFHVURJKSA-N 0 3 451.550 3.494 20 0 JGADHN Cc1ccc(F)c(CN(C)c2nnc([C@H]3CCCOC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)c1 ZINC001492211436 1065324530 /nfs/dbraw/zinc/32/45/30/1065324530.db2.gz NQYUDSJYWRCGCV-REWPJTCUSA-N 0 3 486.636 3.199 20 0 JGADHN Cc1ccc(F)c(CN(C)c2nnc(CC3CC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)c1 ZINC001492217938 1065327836 /nfs/dbraw/zinc/32/78/36/1065327836.db2.gz USKSPMIPIOYTIP-QFIPXVFZSA-N 0 3 456.610 3.257 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C(C)C)C3)n2CCN2CCN(C)C(C)(C)C2)cc1C ZINC001492274104 1065368574 /nfs/dbraw/zinc/36/85/74/1065368574.db2.gz UPTFRLHOOAECNL-HSZRJFAPSA-N 0 3 497.688 3.034 20 0 JGADHN Cc1ccc(OCc2nnc(N(C)Cc3ccco3)n2CCN2CCN(C)C(C)(C)C2)cc1 ZINC001492323998 1065396740 /nfs/dbraw/zinc/39/67/40/1065396740.db2.gz ZUTPTEKOGGLMPK-UHFFFAOYSA-N 0 3 452.603 3.421 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCC(F)(F)CC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC001492359298 1065420620 /nfs/dbraw/zinc/42/06/20/1065420620.db2.gz IZHLXSOCPPUHPL-OAQYLSRUSA-N 0 3 490.599 3.344 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(C(C)(C)C)CC3)n2CCN2CCOC(C)(C)C2)cc1 ZINC001492383030 1065446246 /nfs/dbraw/zinc/44/62/46/1065446246.db2.gz IRZQIFHQANNSPN-UHFFFAOYSA-N 0 3 470.662 3.197 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(C[C@@H]4CCOC4)CC3)n2CCOC(C)(C)C)cc1 ZINC001492390796 1065455601 /nfs/dbraw/zinc/45/56/01/1065455601.db2.gz AVNIZAGJZFHOMO-NRFANRHFSA-N 0 3 457.619 3.139 20 0 JGADHN Cc1ccc(OCCCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC001492415423 1065477311 /nfs/dbraw/zinc/47/73/11/1065477311.db2.gz AUZLYPKKYAAWHS-QHCPKHFHSA-N 0 3 482.673 3.387 20 0 JGADHN Cc1ccc(OCCN(C)c2nnc(-c3ccccn3)n2CCN2CCN(C)C(C)(C)C2)cc1 ZINC001492418546 1065479361 /nfs/dbraw/zinc/47/93/61/1065479361.db2.gz IPCLOPIEPKKRGF-UHFFFAOYSA-N 0 3 463.630 3.190 20 0 JGADHN CO[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2cccc(F)c2)N(C)C)CC[C@@H]1C ZINC001300846025 1065589079 /nfs/dbraw/zinc/58/90/79/1065589079.db2.gz ZLBSCXAHJZCSQT-PDIWNELESA-N 0 3 469.609 3.443 20 0 JGADHN CO[C@H]1COCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CC(C)C)CC1 ZINC001300878100 1065661459 /nfs/dbraw/zinc/66/14/59/1065661459.db2.gz YTVWNYDSXKDOHD-UPVQGACJSA-N 0 3 471.646 3.303 20 0 JGADHN COC[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001300953539 1065757557 /nfs/dbraw/zinc/75/75/57/1065757557.db2.gz QNRPUCDODQSGJA-HYBUGGRVSA-N 0 3 497.688 3.034 20 0 JGADHN COC[C@@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001300953540 1065758162 /nfs/dbraw/zinc/75/81/62/1065758162.db2.gz QNRPUCDODQSGJA-RDPSFJRHSA-N 0 3 497.688 3.034 20 0 JGADHN COC[C@H](F)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001301082091 1065932237 /nfs/dbraw/zinc/93/22/37/1065932237.db2.gz LAEKLOMFKWKSOU-IEBWSBKVSA-N 0 3 484.041 3.367 20 0 JGADHN CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC001301112591 1065957874 /nfs/dbraw/zinc/95/78/74/1065957874.db2.gz YNLQIQWANHHWLN-HXUWFJFHSA-N 0 3 459.591 3.021 20 0 JGADHN COC[C@H]1CCCCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccc(F)cc2)N(C)C)C1 ZINC001301247864 1066064986 /nfs/dbraw/zinc/06/49/86/1066064986.db2.gz BBWDEFVAIZDAGT-SIKLNZKXSA-N 0 3 472.609 3.095 20 0 JGADHN COCC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccc(C)cc2)N2CCCC2)CC1 ZINC001301285983 1066094114 /nfs/dbraw/zinc/09/41/14/1066094114.db2.gz KXNSVYSUSXWIQA-QHCPKHFHSA-N 0 3 468.646 3.425 20 0 JGADHN COCC1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 ZINC001301330141 1066122617 /nfs/dbraw/zinc/12/26/17/1066122617.db2.gz WGONBLNZOYDUBD-DEOSSOPVSA-N 0 3 464.614 3.438 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(COC)CC2)n1C[C@H](c1cccs1)N(C)C ZINC001301343294 1066134164 /nfs/dbraw/zinc/13/41/64/1066134164.db2.gz DQQFSGCZJFRZCY-ZVDOUQERSA-N 0 3 463.648 3.229 20 0 JGADHN CC(C)N(C)Cc1cc(O[C@H]2CCN(C(=O)[C@H]3CC(=O)N(C)[C@@H]3c3ccc(F)cc3)C2)ccn1 ZINC001301364283 1066159951 /nfs/dbraw/zinc/15/99/51/1066159951.db2.gz JGZFQHPXXNZDGM-SONWIMMPSA-N 0 3 468.573 3.260 20 0 JGADHN COC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2C[C@@H](c2cccc(F)c2)N(C)C)C[C@@H](C)O1 ZINC001301399843 1066180640 /nfs/dbraw/zinc/18/06/40/1066180640.db2.gz QDMKLNNXQUSTIG-XGRCMKMKSA-N 0 3 488.633 3.316 20 0 JGADHN COC[C@H]1CN(c2nnc(CCc3ccccc3)n2C[C@H](c2cccs2)N(C)C)CCO1 ZINC001301402717 1066183574 /nfs/dbraw/zinc/18/35/74/1066183574.db2.gz KOZBCJGRRUVHTB-NHCUHLMSSA-N 0 3 455.628 3.279 20 0 JGADHN COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C3CCC3)n2C[C@H](c2ccccc2)N(C)C)C1 ZINC001301946230 1066237006 /nfs/dbraw/zinc/23/70/06/1066237006.db2.gz UPEKAVIZPNQIJX-WWPVKYPJSA-N 0 3 468.646 3.216 20 0 JGADHN CC(=O)NCCN(Cc1ccsc1)c1nnc(C)n1C[C@H](C)N1CCN(c2ccccc2)CC1 ZINC001301948245 1066241854 /nfs/dbraw/zinc/24/18/54/1066241854.db2.gz GPRHHUOWZLUQTC-FQEVSTJZSA-N 0 3 481.670 3.001 20 0 JGADHN COCCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@H](c2ccccc2)N(C)C)CC1 ZINC001301950275 1066246280 /nfs/dbraw/zinc/24/62/80/1066246280.db2.gz KGSWFBAZMVKQOK-HSZRJFAPSA-N 0 3 468.646 3.218 20 0 JGADHN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(Br)c2)n1CCCN1CCCC1 ZINC001301981639 1066289750 /nfs/dbraw/zinc/28/97/50/1066289750.db2.gz HLMAAXZHPFNBGV-IAGOWNOFSA-N 0 3 498.491 3.451 20 0 JGADHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCN(CCc2ccccc2)C1 ZINC001301990985 1066310262 /nfs/dbraw/zinc/31/02/62/1066310262.db2.gz MERLPQUJWWLFPO-RZUBCFFCSA-N 0 3 484.670 3.096 20 0 JGADHN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccsc2)n1CC1(N(C)C)CCCC1 ZINC001301994892 1066321442 /nfs/dbraw/zinc/32/14/42/1066321442.db2.gz DWMUJYCLIDBBKT-IAGOWNOFSA-N 0 3 453.678 3.063 20 0 JGADHN COCC[C@@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCCCC2)C1 ZINC001301504136 1066330367 /nfs/dbraw/zinc/33/03/67/1066330367.db2.gz UAQYCYUAVIYICG-FQEVSTJZSA-N 0 3 475.037 3.210 20 0 JGADHN COCC[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C(C)C)N2CCCC2)C1 ZINC001301507292 1066336519 /nfs/dbraw/zinc/33/65/19/1066336519.db2.gz ZSKYFUKBFVLSHX-NZQKXSOJSA-N 0 3 489.686 3.332 20 0 JGADHN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(CCc2ccccc2)n1CC1(N(C)C)CCCC1 ZINC001302003516 1066339169 /nfs/dbraw/zinc/33/91/69/1066339169.db2.gz OOHKPKPVVHCHHR-WOJBJXKFSA-N 0 3 461.676 3.196 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1CCN1CCCCC1 ZINC001302013031 1066358193 /nfs/dbraw/zinc/35/81/93/1066358193.db2.gz OHEHZQLYGWETTA-FQEVSTJZSA-N 0 3 494.681 3.372 20 0 JGADHN COCCCCCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001301536986 1066365261 /nfs/dbraw/zinc/36/52/61/1066365261.db2.gz KPNIMNVGTQKWCV-QFIPXVFZSA-N 0 3 455.651 3.070 20 0 JGADHN CC(C)(C)c1nnc(Cn2c(Cc3ccncc3)nnc2N2CCN(C(C)(C)C)CC2)s1 ZINC001302043841 1066423371 /nfs/dbraw/zinc/42/33/71/1066423371.db2.gz BJPUDAFUGAPUJL-UHFFFAOYSA-N 0 3 454.648 3.382 20 0 JGADHN COCCCN(C)c1nnc(-c2ccccn2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001301591196 1066429684 /nfs/dbraw/zinc/42/96/84/1066429684.db2.gz WIZNKCULJLYECY-QFIPXVFZSA-N 0 3 450.587 3.104 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1C[C@@H]1CCCCN1C1CC1 ZINC001302052955 1066443026 /nfs/dbraw/zinc/44/30/26/1066443026.db2.gz GQMLFAXGONEXHY-URVUXULASA-N 0 3 490.693 3.150 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCC[C@@H](C)C2)n1Cc1ccccc1CN1CCC(O)CC1 ZINC001302053193 1066443736 /nfs/dbraw/zinc/44/37/36/1066443736.db2.gz QZFQKCUBXBOZSS-NHCUHLMSSA-N 0 3 471.646 3.243 20 0 JGADHN CC(=O)N(C)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H](c2cccs2)N(C)C)CC1 ZINC001301635072 1066497695 /nfs/dbraw/zinc/49/76/95/1066497695.db2.gz KOACJGDXSVGMAJ-FQEVSTJZSA-N 0 3 455.632 3.095 20 0 JGADHN CC(C)(C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCOc1ccccc1Cl ZINC001302087200 1066512286 /nfs/dbraw/zinc/51/22/86/1066512286.db2.gz SZJHJTHTNNIBLA-UHFFFAOYSA-N 0 3 475.037 3.052 20 0 JGADHN CC(C)(C)c1nnc(N2CCN(C(C)(C)C)CC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F ZINC001302087856 1066513485 /nfs/dbraw/zinc/51/34/85/1066513485.db2.gz YRJAVIJMIYHTOM-QGZVFWFLSA-N 0 3 460.589 3.149 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CCc1nc(C)c(C)s1 ZINC001302091925 1066520027 /nfs/dbraw/zinc/52/00/27/1066520027.db2.gz HBWAATAYINQTSK-PKOBYXMFSA-N 0 3 492.690 3.008 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCN(C3CCOCC3)CC2)n1Cc1ccc(Cl)c(OC)c1 ZINC001302094281 1066522934 /nfs/dbraw/zinc/52/29/34/1066522934.db2.gz PIPTYWBKXBHVIK-GOSISDBHSA-N 0 3 494.036 3.013 20 0 JGADHN COCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001301657968 1066526842 /nfs/dbraw/zinc/52/68/42/1066526842.db2.gz RUBVDIINTAXEJG-GOSISDBHSA-N 0 3 466.051 3.419 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1C[C@H](c1ccccc1)N(C)C ZINC001302100201 1066533365 /nfs/dbraw/zinc/53/33/65/1066533365.db2.gz WZUNBRMKBBNRDF-BHIYHBOVSA-N 0 3 471.524 3.073 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCO[C@H](c3ccc(F)cc3F)C2)n1CCN1CCCCC1 ZINC001302104549 1066539050 /nfs/dbraw/zinc/53/90/50/1066539050.db2.gz DBQUEMWEORIGKB-GCJKJVERSA-N 0 3 479.572 3.344 20 0 JGADHN CN(C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cnc2ncc(Br)cc2c1 ZINC001301681564 1066564560 /nfs/dbraw/zinc/56/45/60/1066564560.db2.gz NOTPMWYCBBOAHA-JOCHJYFZSA-N 0 3 455.356 3.101 20 0 JGADHN CC(=O)N1CCCN(c2nnc(Cc3ccsc3)n2C[C@H](c2ccccc2)N(C)C)CC1 ZINC001301706480 1066596144 /nfs/dbraw/zinc/59/61/44/1066596144.db2.gz ZKVMMAWHLQVMDG-JOCHJYFZSA-N 0 3 452.628 3.292 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)C)n3CC(=O)Nc3c(C)cccc3C)C[C@H]2C)CC1 ZINC001301707111 1066597684 /nfs/dbraw/zinc/59/76/84/1066597684.db2.gz BHKPKTKVWUXCNS-GGAORHGYSA-N 0 3 495.672 3.036 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(Cc4ccsc4)n3CCCOC(C)C)C[C@@H]2C)CC1 ZINC001301707684 1066598368 /nfs/dbraw/zinc/59/83/68/1066598368.db2.gz FAHBHPJWSSKQIR-REWPJTCUSA-N 0 3 488.702 3.124 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4ccccc4F)n3CCCOC(C)C)C[C@@H]2C)CC1 ZINC001301708326 1066600504 /nfs/dbraw/zinc/60/05/04/1066600504.db2.gz LKBVBWGUEPJBBO-RDPSFJRHSA-N 0 3 486.636 3.278 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4ccccc4C)n3CCCOC(C)C)C[C@@H]2C)CC1 ZINC001301708411 1066600752 /nfs/dbraw/zinc/60/07/52/1066600752.db2.gz MNHNLIFFYNHLEH-WIOPSUGQSA-N 0 3 482.673 3.448 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CC(C)(C)O)C[C@H]2C)CC1 ZINC001301708479 1066601349 /nfs/dbraw/zinc/60/13/49/1066601349.db2.gz NQCRMMOPVZJHDA-YKSBVNFPSA-N 0 3 496.700 3.392 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(CC(C)C)n3CCc3ccsc3)C[C@@H]2C)CC1 ZINC001301708488 1066601438 /nfs/dbraw/zinc/60/14/38/1066601438.db2.gz NVIQPGGEOQJHKF-UGKGYDQZSA-N 0 3 458.676 3.160 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(CC(C)(C)C)n3CCCNc3ccccn3)C[C@H]2C)CC1 ZINC001301708995 1066602182 /nfs/dbraw/zinc/60/21/82/1066602182.db2.gz RCLIPVZCNOTJPL-GGAORHGYSA-N 0 3 496.704 3.143 20 0 JGADHN COCCO[C@@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@@H](c2ccsc2)N(C)C)C1 ZINC001302151538 1066602740 /nfs/dbraw/zinc/60/27/40/1066602740.db2.gz MBECGDFWONOLEN-CTNGQTDRSA-N 0 3 456.616 3.336 20 0 JGADHN CC(C)(C)Cc1nnc(N2CCCN(C(=O)c3ccccc3)CC2)n1CCN1CC=CCC1 ZINC001302160868 1066619215 /nfs/dbraw/zinc/61/92/15/1066619215.db2.gz MYUNREXKJGVIQU-UHFFFAOYSA-N 0 3 450.631 3.481 20 0 JGADHN COCCN(C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCS[C@@H](C)[C@@H]1C ZINC001301723146 1066633524 /nfs/dbraw/zinc/63/35/24/1066633524.db2.gz XDJGFGOMVMYNRB-BZSNNMDCSA-N 0 3 451.612 3.466 20 0 JGADHN COCCN(C)CCn1c(CC(C)C)nnc1N1CCC(O)(c2ccccc2Cl)CC1 ZINC001301733179 1066653426 /nfs/dbraw/zinc/65/34/26/1066653426.db2.gz FPWHVYDWTCYBNU-UHFFFAOYSA-N 0 3 450.027 3.196 20 0 JGADHN COCCN(C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001301734661 1066655936 /nfs/dbraw/zinc/65/59/36/1066655936.db2.gz PSVSBRRNITVMGV-CRAIPNDOSA-N 0 3 475.943 3.257 20 0 JGADHN CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](c2ccc(C)cc2)N(C)C)[C@@H](C)C1 ZINC001301734593 1066655998 /nfs/dbraw/zinc/65/59/98/1066655998.db2.gz XTSIMEKLIWRFBF-PMOQBDJRSA-N 0 3 454.619 3.188 20 0 JGADHN COCCN(C)CCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H](O)CC2(CCCC2)C1 ZINC001301735800 1066657933 /nfs/dbraw/zinc/65/79/33/1066657933.db2.gz DVAHXISAORYRBG-JOCHJYFZSA-N 0 3 471.646 3.184 20 0 JGADHN COCCN(C)CCn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 ZINC001301735844 1066658199 /nfs/dbraw/zinc/65/81/99/1066658199.db2.gz GCXDRNPYFDKFPW-NRFANRHFSA-N 0 3 459.591 3.226 20 0 JGADHN COCCN(C)CCn1c(N2CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001301739532 1066660884 /nfs/dbraw/zinc/66/08/84/1066660884.db2.gz AIRGGGAARSGGPU-RBUKOAKNSA-N 0 3 466.671 3.283 20 0 JGADHN COCCN(C)CCn1c(N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)nnc1C(C)(C)C ZINC001301741680 1066663185 /nfs/dbraw/zinc/66/31/85/1066663185.db2.gz RVEBETAZQUTUHX-UHFFFAOYSA-N 0 3 478.041 3.057 20 0 JGADHN COCCN(C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCc2ccc(OC)cc2C1 ZINC001301741488 1066663252 /nfs/dbraw/zinc/66/32/52/1066663252.db2.gz QFHBWWQNELEIHE-DHIUTWEWSA-N 0 3 471.646 3.346 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc([C@H]3CCCO3)n2CC(=O)NCCc2ccccc2)CC1 ZINC001302191737 1066674689 /nfs/dbraw/zinc/67/46/89/1066674689.db2.gz AAPYEBKPIQWIAG-JOCHJYFZSA-N 0 3 468.646 3.047 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCC(=O)Nc2ccccc2)CC1 ZINC001302191770 1066674740 /nfs/dbraw/zinc/67/47/40/1066674740.db2.gz AZLPUQSSKGVECL-HXUWFJFHSA-N 0 3 454.619 3.369 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(C(N)=O)c2)CC1 ZINC001302192844 1066677477 /nfs/dbraw/zinc/67/74/77/1066677477.db2.gz MATLTLARTDGGJZ-OAQYLSRUSA-N 0 3 454.619 3.225 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(C(N)=O)c2)CC1 ZINC001302192842 1066677513 /nfs/dbraw/zinc/67/75/13/1066677513.db2.gz MATLTLARTDGGJZ-NRFANRHFSA-N 0 3 454.619 3.225 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(CN3CCCC3=O)n2CCOCc2ccccc2)CC1 ZINC001302192630 1066677581 /nfs/dbraw/zinc/67/75/81/1066677581.db2.gz JZNQRSXBRNBZGS-UHFFFAOYSA-N 0 3 468.646 3.176 20 0 JGADHN CC(C)(C)N1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccnc2OCC(F)F)CC1 ZINC001302201724 1066696658 /nfs/dbraw/zinc/69/66/58/1066696658.db2.gz BOGBHJGZOZRMKB-SFHVURJKSA-N 0 3 464.561 3.180 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCSC2)CC1 ZINC001302202061 1066697353 /nfs/dbraw/zinc/69/73/53/1066697353.db2.gz CDFDJBKLORIYHJ-KRWDZBQOSA-N 0 3 463.673 3.022 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC(=O)NCC2CC2)CC1 ZINC001302202863 1066698554 /nfs/dbraw/zinc/69/85/54/1066698554.db2.gz LCHFGHARVZLWAD-UHFFFAOYSA-N 0 3 493.425 3.293 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@@H]2CCOC2)CC1 ZINC001302202873 1066698714 /nfs/dbraw/zinc/69/87/14/1066698714.db2.gz LQJHANXIYGSIQF-OAHLLOKOSA-N 0 3 451.413 3.383 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(CCOc3ccccc3)n2CCCN2CCCCC2=O)CC1 ZINC001302203063 1066699073 /nfs/dbraw/zinc/69/90/73/1066699073.db2.gz NHZDHHDCEOXEPN-UHFFFAOYSA-N 0 3 468.646 3.223 20 0 JGADHN CC(C)(C)N1CCN(c2nnc([C@H]3CCCOC3)n2CCc2nccc(C(F)(F)F)n2)CC1 ZINC001302203216 1066699086 /nfs/dbraw/zinc/69/90/86/1066699086.db2.gz QDFBJJAYOHMLMY-INIZCTEOSA-N 0 3 467.540 3.144 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@@]2(O)CCOC2)CC1 ZINC001302203252 1066699965 /nfs/dbraw/zinc/69/99/65/1066699965.db2.gz QKDXERWYKPFOBD-QFIPXVFZSA-N 0 3 484.428 3.236 20 0 JGADHN CC(C)(C)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(OC(F)(F)F)cc2)CC1 ZINC001302203738 1066700441 /nfs/dbraw/zinc/70/04/41/1066700441.db2.gz URTNMGHIXWOGDP-GOSISDBHSA-N 0 3 480.535 3.291 20 0 JGADHN CC(C)(C)n1ncnc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001302204112 1066701367 /nfs/dbraw/zinc/70/13/67/1066701367.db2.gz WDOCVBQLPYORRG-UHFFFAOYSA-N 0 3 458.014 3.309 20 0 JGADHN COCCOCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)(C)C)CC1 ZINC001302207541 1066704572 /nfs/dbraw/zinc/70/45/72/1066704572.db2.gz GICVBKPSPIKHGD-UHFFFAOYSA-N 0 3 497.482 3.410 20 0 JGADHN CC(C)(C)NC(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CCCC2)CC1 ZINC001302210591 1066709690 /nfs/dbraw/zinc/70/96/90/1066709690.db2.gz OJBSOEJJPPSEOT-UHFFFAOYSA-N 0 3 456.610 3.377 20 0 JGADHN CC(C)(C)NC(=O)CCn1c(N2CCN(C3Cc4ccccc4C3)CC2)nnc1C(C)(C)C ZINC001302210664 1066710143 /nfs/dbraw/zinc/71/01/43/1066710143.db2.gz HYEOUTJXSLXTQK-UHFFFAOYSA-N 0 3 452.647 3.170 20 0 JGADHN COCCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CCN(C(C)(C)C)CC1 ZINC001302223828 1066734277 /nfs/dbraw/zinc/73/42/77/1066734277.db2.gz WCXOAYNSNIUAOC-UHFFFAOYSA-N 0 3 484.414 3.430 20 0 JGADHN COCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H]1CCCN1C ZINC001301811150 1066766648 /nfs/dbraw/zinc/76/66/48/1066766648.db2.gz GWKFSYLGZRSEMH-MHECFPHRSA-N 0 3 451.567 3.141 20 0 JGADHN CC(=O)N[C@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN2CCCC(C)(C)C2)C1 ZINC001301812616 1066767537 /nfs/dbraw/zinc/76/75/37/1066767537.db2.gz FPMCCIZPCSQPFA-QHCPKHFHSA-N 0 3 495.672 3.374 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cnn(C)c2C)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001302248270 1066780045 /nfs/dbraw/zinc/78/00/45/1066780045.db2.gz NPBVVJFRHSYAOD-PMOQBDJRSA-N 0 3 485.608 3.122 20 0 JGADHN CC(C)(C)OC(=O)NCCCn1c(CC2CCCC2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001302264093 1066813926 /nfs/dbraw/zinc/81/39/26/1066813926.db2.gz BIIUJTUXEZJQRD-UHFFFAOYSA-N 0 3 490.693 3.474 20 0 JGADHN CC(C)(C)OC(=O)NCCCCn1c(CC2CCCC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001302266365 1066823484 /nfs/dbraw/zinc/82/34/84/1066823484.db2.gz OBASREGHGNNRRF-QFIPXVFZSA-N 0 3 490.693 3.474 20 0 JGADHN CC(C)(C)OC(=O)NCCCCn1c([C@H]2CCCO2)nnc1N1CCN(C2CCCC2)CC1 ZINC001302266814 1066824328 /nfs/dbraw/zinc/82/43/28/1066824328.db2.gz TXYHFPJJMPQNLW-HXUWFJFHSA-N 0 3 462.639 3.499 20 0 JGADHN COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)[C@@H](C)Sc2nncn2C)cc1 ZINC001302271441 1066829580 /nfs/dbraw/zinc/82/95/80/1066829580.db2.gz YMZCYNPIUGMZCW-VOQZNFBZSA-N 0 3 451.596 3.089 20 0 JGADHN COCCn1cc(Cn2c(Cc3csc(C)n3)nnc2N2CCN(CCC(C)(C)C)CC2)cn1 ZINC001301852832 1066830324 /nfs/dbraw/zinc/83/03/24/1066830324.db2.gz GSWWXYNYUZNVOF-UHFFFAOYSA-N 0 3 486.690 3.083 20 0 JGADHN CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@@H](c2ccc(F)cc2)N(C)C)C1 ZINC001301856614 1066837142 /nfs/dbraw/zinc/83/71/42/1066837142.db2.gz GQEFZUCMSKOKRN-XXBNENTESA-N 0 3 465.577 3.135 20 0 JGADHN CC(=O)NC[C@H]1CCCN(c2nnc(CC(C)C)n2C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC001301867809 1066859755 /nfs/dbraw/zinc/85/97/55/1066859755.db2.gz NFJMJDJZWYYNSH-RPBOFIJWSA-N 0 3 482.673 3.120 20 0 JGADHN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001301870113 1066860885 /nfs/dbraw/zinc/86/08/85/1066860885.db2.gz YCQUSJJTCFYOSS-FIKGOQFSSA-N 0 3 450.004 3.034 20 0 JGADHN CC(=O)NCC1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001301882848 1066891186 /nfs/dbraw/zinc/89/11/86/1066891186.db2.gz GJVWPFHTQPDTQG-JOCHJYFZSA-N 0 3 453.566 3.068 20 0 JGADHN COCCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](c2ccsc2)N(C)C)CC1 ZINC001301896430 1066919543 /nfs/dbraw/zinc/91/95/43/1066919543.db2.gz JQEPWSWSKQTDCT-NRFANRHFSA-N 0 3 470.643 3.087 20 0 JGADHN CC(C)(C)[S@@](=O)CCn1c(-c2ccccc2F)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001302325100 1066924284 /nfs/dbraw/zinc/92/42/84/1066924284.db2.gz WSTLFEVOZREHSE-XIFFEERXSA-N 0 3 477.650 3.180 20 0 JGADHN COCCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2ccccc2Cl)N(C)C)C[C@@H]1C ZINC001301900106 1066924872 /nfs/dbraw/zinc/92/48/72/1066924872.db2.gz XBDMIUOTFOXQMM-PGRDOPGGSA-N 0 3 472.037 3.386 20 0 JGADHN CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1CCCNC(=O)C1CCC1 ZINC001302334204 1066933029 /nfs/dbraw/zinc/93/30/29/1066933029.db2.gz BICSHADFWMSOMD-NHCUHLMSSA-N 0 3 474.694 3.424 20 0 JGADHN CC(C)(CN1CCCC1)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001302349174 1066944371 /nfs/dbraw/zinc/94/43/71/1066944371.db2.gz ALVKUFHRHNPWPN-NRFANRHFSA-N 0 3 493.649 3.132 20 0 JGADHN CON(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](c1ccc(C)cc1)N(C)C ZINC001302350034 1066945232 /nfs/dbraw/zinc/94/52/32/1066945232.db2.gz ZOVFPXUVXYNOKQ-VQTJNVASSA-N 0 3 474.606 3.195 20 0 JGADHN COCCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H](c2ccccc2Cl)N(C)C)C[C@H]1C ZINC001301918340 1066948246 /nfs/dbraw/zinc/94/82/46/1066948246.db2.gz IIXCOIFOOUYEAG-HYBUGGRVSA-N 0 3 498.075 3.377 20 0 JGADHN CC(C)(O)CCn1c(-c2ccc(F)cc2Br)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001302354731 1066948198 /nfs/dbraw/zinc/94/81/98/1066948198.db2.gz XRULYLWYGMKXHQ-INIZCTEOSA-N 0 3 496.425 3.166 20 0 JGADHN CC(C)=CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001302380191 1066964103 /nfs/dbraw/zinc/96/41/03/1066964103.db2.gz VZIXOLDVXOOEBO-UHFFFAOYSA-N 0 3 458.010 3.094 20 0 JGADHN COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C(C)(C)C)n2C[C@H](c2ccco2)N2CCCC2)C1 ZINC001301931025 1066968532 /nfs/dbraw/zinc/96/85/32/1066968532.db2.gz OWOHRXZXYMLMMF-PWRODBHTSA-N 0 3 486.661 3.373 20 0 JGADHN CC(C)=CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001302394967 1066975279 /nfs/dbraw/zinc/97/52/79/1066975279.db2.gz YDQKSXFAVAIECW-FYYLOGMGSA-N 0 3 472.678 3.297 20 0 JGADHN CC(C)C(=O)N1CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001302399312 1066979677 /nfs/dbraw/zinc/97/96/77/1066979677.db2.gz YWBPFUDQGPOADG-WOJBJXKFSA-N 0 3 474.675 3.231 20 0 JGADHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc([C@H]3CCCO3)n2C[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC001301944145 1066995872 /nfs/dbraw/zinc/99/58/72/1066995872.db2.gz LQDNOXJORXASHM-MSNJVRRCSA-N 0 3 498.672 3.108 20 0 JGADHN CC(C)C(=O)N[C@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2ccc(F)cc2)N(C)C)C1 ZINC001302420162 1067005158 /nfs/dbraw/zinc/00/51/58/1067005158.db2.gz XPYCACAJUPAUBL-ZEQRLZLVSA-N 0 3 493.631 3.447 20 0 JGADHN CC(C)C(=O)N[C@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@H](c2ccc(F)cc2)N(C)C)C1 ZINC001302420159 1067005254 /nfs/dbraw/zinc/00/52/54/1067005254.db2.gz XPYCACAJUPAUBL-BJKOFHAPSA-N 0 3 493.631 3.447 20 0 JGADHN CS(=O)(=O)[C@@H]1CCCCN(c2nnc(-c3ccc(Cl)nc3)n2CCCN2CCCCC2)C1 ZINC001302427757 1067013333 /nfs/dbraw/zinc/01/33/33/1067013333.db2.gz JPPSIHVLOKYUMF-LJQANCHMSA-N 0 3 481.066 3.273 20 0 JGADHN CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2ccsc2)N(C)C)C1 ZINC001302432590 1067022524 /nfs/dbraw/zinc/02/25/24/1067022524.db2.gz YHXXNQSMGCDBKN-RXVVDRJESA-N 0 3 484.674 3.032 20 0 JGADHN Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCCN2C2CC2)c1C ZINC001304011245 1067053864 /nfs/dbraw/zinc/05/38/64/1067053864.db2.gz QUOJWMQCYJBMDO-OAQYLSRUSA-N 0 3 481.645 3.125 20 0 JGADHN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(C)C)CC3)n2CCNC(=O)C2CC2)c1C ZINC001304031744 1067080307 /nfs/dbraw/zinc/08/03/07/1067080307.db2.gz XJKBOBQLZDZVTC-OAQYLSRUSA-N 0 3 468.646 3.339 20 0 JGADHN Cc1nc([C@@H]2CCCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CC(C)(C)CN(C)C)C2)sc1C ZINC001304044209 1067086459 /nfs/dbraw/zinc/08/64/59/1067086459.db2.gz CUGPJXSWIQENOT-RTBURBONSA-N 0 3 494.731 3.225 20 0 JGADHN Cc1c(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](c2ccccc2)N(C)C)cnn1C ZINC001304079696 1067124404 /nfs/dbraw/zinc/12/44/04/1067124404.db2.gz PSWJMFNFEMEVNP-JYFHCDHNSA-N 0 3 481.645 3.300 20 0 JGADHN Cc1c(CN(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[C@H](C)N2CCCCC2)cnn1C ZINC001304080097 1067125192 /nfs/dbraw/zinc/12/51/92/1067125192.db2.gz XFZAQGHJYMCRPV-IBGZPJMESA-N 0 3 499.685 3.291 20 0 JGADHN CC(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(F)(F)F)CC1)N1CCCC1 ZINC001302522892 1067142898 /nfs/dbraw/zinc/14/28/98/1067142898.db2.gz GGWDYTMKFUQQSA-OALUTQOASA-N 0 3 491.624 3.469 20 0 JGADHN CC(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)N1CCCC1 ZINC001302523052 1067143326 /nfs/dbraw/zinc/14/33/26/1067143326.db2.gz HJJLNTYZZQNAHH-HCXYKTFWSA-N 0 3 473.634 3.028 20 0 JGADHN CC(C)[C@@H](Cn1c(N2CCC(CCCN3CCOCC3)CC2)nnc1C(C)(C)C)N1CCOCC1 ZINC001302529008 1067157159 /nfs/dbraw/zinc/15/71/59/1067157159.db2.gz PWECYKXWAPTWOQ-XMMPIXPASA-N 0 3 490.737 3.261 20 0 JGADHN CSC(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001302535383 1067164965 /nfs/dbraw/zinc/16/49/65/1067164965.db2.gz UMVOXHYMFFWOSX-GOSISDBHSA-N 0 3 463.623 3.296 20 0 JGADHN Cc1cc(C(=O)NC2CCN(c3nnc(C(C)(C)C)n3CCN(C)Cc3ccccc3)CC2)no1 ZINC001304146599 1067190812 /nfs/dbraw/zinc/19/08/12/1067190812.db2.gz UAGIGXOWDFMSOQ-UHFFFAOYSA-N 0 3 479.629 3.403 20 0 JGADHN CS[C@@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001302560286 1067201058 /nfs/dbraw/zinc/20/10/58/1067201058.db2.gz CVLZBQSLXJURNY-KRWDZBQOSA-N 0 3 465.614 3.447 20 0 JGADHN CS[C@H](C)Cn1c(Cc2ccccc2C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001302560427 1067201224 /nfs/dbraw/zinc/20/12/24/1067201224.db2.gz DOWZPYWXOOQVET-YZUZCNPQSA-N 0 3 484.714 3.308 20 0 JGADHN Cc1cc([C@@](C)(O)Cn2c(N3CCN(CC(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)c(C)o1 ZINC001304157152 1067205304 /nfs/dbraw/zinc/20/53/04/1067205304.db2.gz WCZLRIZQRJPVET-IZZNHLLZSA-N 0 3 489.661 3.214 20 0 JGADHN CC(C)c1nnc(N(C)[C@H]2CCCN(c3ccccc3)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001302567943 1067207335 /nfs/dbraw/zinc/20/73/35/1067207335.db2.gz CIFLWSYVXIFGEW-ZEQRLZLVSA-N 0 3 481.689 3.449 20 0 JGADHN CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)N1CCCN(Cc2ccccc2)CCOCC1 ZINC001304164869 1067211803 /nfs/dbraw/zinc/21/18/03/1067211803.db2.gz AVXBNPGPHHRSDO-IBGZPJMESA-N 0 3 455.546 3.286 20 0 JGADHN O=C(c1ccc(S(=O)(=O)CC2CC2)cc1)N1CCCN(Cc2ccccc2)CCOCC1 ZINC001304166021 1067212923 /nfs/dbraw/zinc/21/29/23/1067212923.db2.gz PLIVMYCVXXHAON-UHFFFAOYSA-N 0 3 456.608 3.235 20 0 JGADHN Cc1cc(C)cc(OCc2nnc(N3CCSC[C@@H]3C)n2CCN2CCN(C)C(C)(C)C2)c1 ZINC001304182971 1067233533 /nfs/dbraw/zinc/23/35/33/1067233533.db2.gz FUYKJMKJWTWMPD-NRFANRHFSA-N 0 3 472.703 3.442 20 0 JGADHN Cc1cc(-c2nnc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)n2CCN(C)C(C)C)c2ccccc2n1 ZINC001304189542 1067239577 /nfs/dbraw/zinc/23/95/77/1067239577.db2.gz NORNRUJIGJSOKU-RBUKOAKNSA-N 0 3 472.659 3.400 20 0 JGADHN Cc1cc(-c2nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n2CCN(C)C(C)C)c2ccccc2n1 ZINC001304189538 1067239684 /nfs/dbraw/zinc/23/96/84/1067239684.db2.gz NORNRUJIGJSOKU-OALUTQOASA-N 0 3 472.659 3.400 20 0 JGADHN Cc1cc(CN(C)c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN2CCN(C)C(C)(C)C2)no1 ZINC001304198871 1067248636 /nfs/dbraw/zinc/24/86/36/1067248636.db2.gz YDRJKJNLFZKADF-UHFFFAOYSA-N 0 3 494.644 3.106 20 0 JGADHN CSc1cc(C)ccc1Cn1c(CC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001302636899 1067267077 /nfs/dbraw/zinc/26/70/77/1067267077.db2.gz VHNCORQRGHYIJJ-OAQYLSRUSA-N 0 3 470.687 3.298 20 0 JGADHN Cc1ccc([C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC3(CCCC3)C2)N(C)C)cc1 ZINC001304273028 1067308464 /nfs/dbraw/zinc/30/84/64/1067308464.db2.gz HTPWMFJFSMWWRX-PZJWPPBQSA-N 0 3 474.675 3.270 20 0 JGADHN Cc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(c3ccnn3C)CC2)N(C)C)cc1 ZINC001304273245 1067309291 /nfs/dbraw/zinc/30/92/91/1067309291.db2.gz JLXCJZZYMXTHMO-QHCPKHFHSA-N 0 3 478.645 3.145 20 0 JGADHN Cc1ccc([C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CC(C)(C)OC[C@@H]2C)N(C)C)cc1 ZINC001304273271 1067309579 /nfs/dbraw/zinc/30/95/79/1067309579.db2.gz JOOIHOZHFWIISC-FPOVZHCZSA-N 0 3 454.619 3.129 20 0 JGADHN CC(C)c1nnc(N2CCN(c3ncc(F)cn3)CC2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001302685977 1067311093 /nfs/dbraw/zinc/31/10/93/1067311093.db2.gz VMULZICMLSVACS-HXUWFJFHSA-N 0 3 456.545 3.099 20 0 JGADHN Cc1ccc([C@@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC=C(Br)C2)N(C)C)cc1 ZINC001304275989 1067314087 /nfs/dbraw/zinc/31/40/87/1067314087.db2.gz RDICLZLKEAZINO-RTBURBONSA-N 0 3 473.419 3.329 20 0 JGADHN Cc1ccc([C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)N(C)C)cc1 ZINC001304276034 1067314459 /nfs/dbraw/zinc/31/44/59/1067314459.db2.gz RZQROOSOXFLBAN-WOVHNISZSA-N 0 3 468.646 3.482 20 0 JGADHN CSC[C@H]1CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N(C)Cc1ccccc1 ZINC001302690977 1067316148 /nfs/dbraw/zinc/31/61/48/1067316148.db2.gz UHGLKHPBZFCDKE-PZJWPPBQSA-N 0 3 456.660 3.366 20 0 JGADHN CC(C)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001302691032 1067316196 /nfs/dbraw/zinc/31/61/96/1067316196.db2.gz AWCRXMRYFIXMHA-KRWDZBQOSA-N 0 3 452.525 3.217 20 0 JGADHN CSC[C@@H]1CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N(C)Cc1ccccc1 ZINC001302690976 1067316239 /nfs/dbraw/zinc/31/62/39/1067316239.db2.gz UHGLKHPBZFCDKE-FPOVZHCZSA-N 0 3 456.660 3.366 20 0 JGADHN CC(C)c1nnc(N2CCN(CC3CCOCC3)CC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001302692869 1067318131 /nfs/dbraw/zinc/31/81/31/1067318131.db2.gz PNIBKBKXCMXNBG-IBGZPJMESA-N 0 3 464.655 3.206 20 0 JGADHN CC(C)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCCNc1ccc(C(F)(F)F)cn1 ZINC001302692590 1067318296 /nfs/dbraw/zinc/31/82/96/1067318296.db2.gz LXUYYGXDTPSZMZ-GOSISDBHSA-N 0 3 481.567 3.476 20 0 JGADHN Cc1ccc([C@H](Cn2c(CC(C)C)nnc2N2CCN(C(C)(C)C)CC2)N2CCOCC2)o1 ZINC001304278980 1067318960 /nfs/dbraw/zinc/31/89/60/1067318960.db2.gz OSYQOBOYMMHNMM-NRFANRHFSA-N 0 3 458.651 3.372 20 0 JGADHN CC(C)c1nnc(N2CCN(CCN(C)Cc3ccccc3)CC2)n1C[C@H]1CCOC[C@@H]1C ZINC001302697759 1067322910 /nfs/dbraw/zinc/32/29/10/1067322910.db2.gz IDOCMITYHDXDDC-LADGPHEKSA-N 0 3 454.663 3.328 20 0 JGADHN Cc1ccc(C)c(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@@H]2CCCN(C(C)C)C2)c1 ZINC001304287777 1067330359 /nfs/dbraw/zinc/33/03/59/1067330359.db2.gz KBDHIRYYJSFPEW-YADHBBJMSA-N 0 3 489.686 3.218 20 0 JGADHN Cc1ccc(C)c(OCc2nnc(N3CCN(CC(C)C)CC3)n2CCN2CCOCC2(C)C)c1 ZINC001304292837 1067341867 /nfs/dbraw/zinc/34/18/67/1067341867.db2.gz XGYLDEVPCGHCCA-UHFFFAOYSA-N 0 3 484.689 3.363 20 0 JGADHN CC(C)[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCCC[C@@H]2C)C1 ZINC001302732514 1067346459 /nfs/dbraw/zinc/34/64/59/1067346459.db2.gz VXZFMWIZFUBCJJ-PWRODBHTSA-N 0 3 451.681 3.317 20 0 JGADHN Cc1ccc(-c2nnc(N3CC[C@@H](CN4CCCCC4)C3)n2CCS(=O)(=O)C(C)(C)C)o1 ZINC001304310401 1067357901 /nfs/dbraw/zinc/35/79/01/1067357901.db2.gz KISDHMVSRFEXLL-IBGZPJMESA-N 0 3 463.648 3.372 20 0 JGADHN CSCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001302753785 1067358987 /nfs/dbraw/zinc/35/89/87/1067358987.db2.gz MMUYDEUYKQQYOT-INIZCTEOSA-N 0 3 483.480 3.337 20 0 JGADHN Cc1ccc(-c2nnc(N3CCC(CN4CCOCC4)CC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)o1 ZINC001304311666 1067359075 /nfs/dbraw/zinc/35/90/75/1067359075.db2.gz PVBKWAPUILXDBC-GOSISDBHSA-N 0 3 488.633 3.308 20 0 JGADHN CSCCCCCn1c(CC2CC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001302757387 1067361150 /nfs/dbraw/zinc/36/11/50/1067361150.db2.gz UIEJORIBRKSXPN-SIKLNZKXSA-N 0 3 462.708 3.143 20 0 JGADHN CC(C)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 ZINC001302760415 1067362932 /nfs/dbraw/zinc/36/29/32/1067362932.db2.gz GSAJLVPLMOXGOC-TZIWHRDSSA-N 0 3 451.681 3.173 20 0 JGADHN Cc1ccc(-c2nnc(N3CCC(S(C)(=O)=O)CC3)n2CC(C)(C)N2CCC[C@H](C)C2)o1 ZINC001304318188 1067364922 /nfs/dbraw/zinc/36/49/22/1067364922.db2.gz VFKUTTLVHVDLHC-KRWDZBQOSA-N 0 3 463.648 3.370 20 0 JGADHN Cc1ccc(-c2nnc(N3CCC(S(C)(=O)=O)CC3)n2CC(C)(C)N2CCC[C@@H](C)C2)o1 ZINC001304318189 1067365159 /nfs/dbraw/zinc/36/51/59/1067365159.db2.gz VFKUTTLVHVDLHC-QGZVFWFLSA-N 0 3 463.648 3.370 20 0 JGADHN CC(C)[C@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H](c2cccs2)N(C)C)CCS1 ZINC001302781953 1067375876 /nfs/dbraw/zinc/37/58/76/1067375876.db2.gz DTALVGXSFWBPOO-IEBWSBKVSA-N 0 3 462.689 3.343 20 0 JGADHN CC(C)[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](c2cccs2)N(C)C)CCO1 ZINC001302788054 1067379571 /nfs/dbraw/zinc/37/95/71/1067379571.db2.gz KINRRPCNLPWJMM-ROUUACIJSA-N 0 3 488.683 3.495 20 0 JGADHN CC(C)[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](c2cccs2)N(C)C)CCO1 ZINC001302788050 1067379733 /nfs/dbraw/zinc/37/97/33/1067379733.db2.gz KINRRPCNLPWJMM-MSOLQXFVSA-N 0 3 488.683 3.495 20 0 JGADHN CC(C)[C@@H]1OCCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001302800408 1067389444 /nfs/dbraw/zinc/38/94/44/1067389444.db2.gz VSLPPOLVANYPSZ-SJBKTWHCSA-N 0 3 460.667 3.239 20 0 JGADHN CC(C)C[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cscn1)N(C)C ZINC001302808432 1067396634 /nfs/dbraw/zinc/39/66/34/1067396634.db2.gz PQAUQARXQLHWQP-IBGZPJMESA-N 0 3 476.672 3.418 20 0 JGADHN Cc1ccc(CSCCn2c(CC(C)C)nnc2N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC001304366324 1067405822 /nfs/dbraw/zinc/40/58/22/1067405822.db2.gz WXNODMCOKIGFSI-QHCPKHFHSA-N 0 3 484.714 3.461 20 0 JGADHN Cc1ccc(F)c(CN(C)c2nnc(Cc3ccccn3)n2CCN2CCN(C)C(C)(C)C2)c1 ZINC001304368322 1067408398 /nfs/dbraw/zinc/40/83/98/1067408398.db2.gz DHVPPVVHBOTZJJ-UHFFFAOYSA-N 0 3 465.621 3.374 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C)[C@@H]3C)n2CCCN2CCC[C@H]2C(=O)N(C)C)cc1C ZINC001304376716 1067418487 /nfs/dbraw/zinc/41/84/87/1067418487.db2.gz AGEUURHULHSEHE-RRPUWOKSSA-N 0 3 495.672 3.325 20 0 JGADHN O=C(N[C@@H]1CCC[C@H]1N1CCC(O)CC1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC001302835081 1067422488 /nfs/dbraw/zinc/42/24/88/1067422488.db2.gz NPBWEDVMIUTQOL-HUUCEWRRSA-N 0 3 451.283 3.455 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCC(F)(F)C3)n2CCN2CCN(C)C(C)(C)C2)cc1C ZINC001304380876 1067428850 /nfs/dbraw/zinc/42/88/50/1067428850.db2.gz XVFGBVWCPFZTNF-UHFFFAOYSA-N 0 3 475.588 3.019 20 0 JGADHN CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F ZINC001302853893 1067438163 /nfs/dbraw/zinc/43/81/63/1067438163.db2.gz ZDSIEBVLMPRQKA-GIWBLDEGSA-N 0 3 450.501 3.311 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@H](C)N2CCC(C)CC2)cc1C ZINC001304386428 1067440969 /nfs/dbraw/zinc/44/09/69/1067440969.db2.gz JUYHWNUVFRWFBR-NWSQWKLXSA-N 0 3 468.646 3.475 20 0 JGADHN C[C@@H]1CN(C2CCOCC2)CCN1c1nnc(Cc2ccc(Cl)cc2)n1CCOCC(F)F ZINC001302867359 1067448497 /nfs/dbraw/zinc/44/84/97/1067448497.db2.gz UATMIRVPOSWVGU-QGZVFWFLSA-N 0 3 483.991 3.494 20 0 JGADHN C[C@@H]1CN(C2CCOCC2)CCN1c1nnc(CCCc2ccccc2)n1CCNC(=O)C(C)(C)C ZINC001302867460 1067448527 /nfs/dbraw/zinc/44/85/27/1067448527.db2.gz WFHBDRHGDQKELS-JOCHJYFZSA-N 0 3 496.700 3.305 20 0 JGADHN CC(C)Cc1nnc(N2CCC(CC(=O)N(C)C)CC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001302886084 1067466721 /nfs/dbraw/zinc/46/67/21/1067466721.db2.gz GTSJOIOBKPPFJD-VWLOTQADSA-N 0 3 496.700 3.462 20 0 JGADHN CC(C)Cc1nnc(N2CC[C@H](Cc3ccccc3)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001302888502 1067468336 /nfs/dbraw/zinc/46/83/36/1067468336.db2.gz BHNJEKLIYUWKDA-DNQXCXABSA-N 0 3 466.674 3.488 20 0 JGADHN Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@H](C(C)C)N2CCCC2)cc1C ZINC001304411609 1067479537 /nfs/dbraw/zinc/47/95/37/1067479537.db2.gz URQRTLQJBODNTN-DHIUTWEWSA-N 0 3 489.686 3.218 20 0 JGADHN CC(C)Cc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CCc1cccc(C(=O)N(C)C)c1 ZINC001302899300 1067481532 /nfs/dbraw/zinc/48/15/32/1067481532.db2.gz HDKOWSKQNFJNRX-RUZDIDTESA-N 0 3 495.716 3.026 20 0 JGADHN C[C@H]1CN(C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001302902601 1067487466 /nfs/dbraw/zinc/48/74/66/1067487466.db2.gz LUHAAEOUXVYYDB-ZWKOTPCHSA-N 0 3 472.600 3.149 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(C4CCOCC4)CC3)n2CCCOC(F)F)cc1 ZINC001304418385 1067492265 /nfs/dbraw/zinc/49/22/65/1067492265.db2.gz PUGSIKCJTYEWOL-UHFFFAOYSA-N 0 3 465.545 3.096 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1Cc1sccc1Br ZINC001302944786 1067517597 /nfs/dbraw/zinc/51/75/97/1067517597.db2.gz WTQKXLMMMNHECW-QGZVFWFLSA-N 0 3 495.491 3.092 20 0 JGADHN FC(F)C(F)(F)CN1CCN(c2nnc(CCc3ccccc3)n2CCN2CC=CCC2)CC1 ZINC001302944889 1067517651 /nfs/dbraw/zinc/51/76/51/1067517651.db2.gz KYUJZIQWSKWDNC-UHFFFAOYSA-N 0 3 480.554 3.348 20 0 JGADHN FC(F)C(F)(F)COCCn1c(C2CCCC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001302945626 1067518840 /nfs/dbraw/zinc/51/88/40/1067518840.db2.gz SASHIBVNESTFRC-INIZCTEOSA-N 0 3 463.520 3.011 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CCc1cccc(C(=O)N(C)C)c1 ZINC001302957499 1067528922 /nfs/dbraw/zinc/52/89/22/1067528922.db2.gz QNCKDIIUNMMKDA-NRFANRHFSA-N 0 3 482.673 3.111 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C3CCOCC3)CC2)n1Cc1ccc(NC(=O)NC(C)C)cc1 ZINC001302957847 1067529323 /nfs/dbraw/zinc/52/93/23/1067529323.db2.gz VHIPDFOSECBMOJ-UHFFFAOYSA-N 0 3 483.661 3.356 20 0 JGADHN Cc1cccc(-c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CC[C@@H](C)N(C)Cc2ccccc2)n1 ZINC001304453469 1067534722 /nfs/dbraw/zinc/53/47/22/1067534722.db2.gz YVAJKXXZFREDRF-IFMALSPDSA-N 0 3 482.654 3.182 20 0 JGADHN Fc1ccccc1-c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CC(F)(F)Br ZINC001302971449 1067539346 /nfs/dbraw/zinc/53/93/46/1067539346.db2.gz ZXNGVMJPAQWQMO-AWEZNQCLSA-N 0 3 474.325 3.230 20 0 JGADHN CC(C)Cc1nnc(N2CCO[C@@](C)(c3cnn(C)c3)C2)n1C[C@@H](c1cccs1)N(C)C ZINC001302971502 1067539858 /nfs/dbraw/zinc/53/98/58/1067539858.db2.gz FBLSRXRXCFHUTE-WMZHIEFXSA-N 0 3 457.648 3.327 20 0 JGADHN CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001303010872 1067565433 /nfs/dbraw/zinc/56/54/33/1067565433.db2.gz YNNNNXNPZQZOSG-CYFREDJKSA-N 0 3 477.053 3.339 20 0 JGADHN Cc1cccc(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCN(CCC(C)(C)C)CC2)n1 ZINC001304492236 1067569776 /nfs/dbraw/zinc/56/97/76/1067569776.db2.gz XUOCLGRJWPIAJZ-UHFFFAOYSA-N 0 3 476.629 3.430 20 0 JGADHN Cc1cccc(OCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@@H](c2cccs2)N(C)C)c1 ZINC001304511052 1067586200 /nfs/dbraw/zinc/58/62/00/1067586200.db2.gz GKQMLGSEKLMLTA-QUCCMNQESA-N 0 3 468.627 3.197 20 0 JGADHN Cc1cccc(OCc2nnc(N3CCN(C4CCOCC4)C[C@H]3C)n2C[C@](C)(O)C(C)C)c1 ZINC001304511487 1067587179 /nfs/dbraw/zinc/58/71/79/1067587179.db2.gz CSZQYDTVVPDZHD-RLWLMLJZSA-N 0 3 471.646 3.262 20 0 JGADHN NC(=O)COC1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCN2CCCCC2)CC1 ZINC001303051985 1067591837 /nfs/dbraw/zinc/59/18/37/1067591837.db2.gz WVHRDCFXMPDCKB-UHFFFAOYSA-N 0 3 493.077 3.180 20 0 JGADHN O=C(C1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CCCN2CCCO)CC1)C(F)(F)F ZINC001303062398 1067597780 /nfs/dbraw/zinc/59/77/80/1067597780.db2.gz SEKXXYYTDDVNRW-LJQANCHMSA-N 0 3 471.568 3.205 20 0 JGADHN Cc1ccccc1-c1nnc(N(C)CC(C)(C)CN2CCOCC2)n1C[C@H](C)CN1CCOCC1 ZINC001304524682 1067598280 /nfs/dbraw/zinc/59/82/80/1067598280.db2.gz JSLSXUZHTNXMKL-JOCHJYFZSA-N 0 3 484.689 3.016 20 0 JGADHN CC(C)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC001303080222 1067614177 /nfs/dbraw/zinc/61/41/77/1067614177.db2.gz JCJCIWBCBMVIJC-XMMPIXPASA-N 0 3 454.663 3.472 20 0 JGADHN CC(C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001303081614 1067615265 /nfs/dbraw/zinc/61/52/65/1067615265.db2.gz LYGFBHDHJPAOGH-NRFANRHFSA-N 0 3 459.038 3.311 20 0 JGADHN Cc1ccccc1Cc1nnc(N(C)CCS(C)(=O)=O)n1CC(C)(C)N1CCC[C@@H](C)C1 ZINC001304549636 1067619061 /nfs/dbraw/zinc/61/90/61/1067619061.db2.gz QFQNDPYTOJSHKW-LJQANCHMSA-N 0 3 461.676 3.169 20 0 JGADHN O=C([N-]CC1CCN(c2nnc(-c3cccnc3)n2CCC[NH+]2CCCCC2)CC1)C(F)(F)F ZINC001303090039 1067626275 /nfs/dbraw/zinc/62/62/75/1067626275.db2.gz UKZSQSBVIGWPEM-UHFFFAOYSA-N 0 3 479.551 3.111 20 0 JGADHN Cc1cc(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc(C)c1OCc1cccnc1 ZINC001303091426 1067628521 /nfs/dbraw/zinc/62/85/21/1067628521.db2.gz AZZKYLSFBQYFHN-UHFFFAOYSA-N 0 3 450.583 3.223 20 0 JGADHN CC(C)CCOc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCN2CCCC2)cc1 ZINC001303100870 1067639550 /nfs/dbraw/zinc/63/95/50/1067639550.db2.gz VASYJIFYXNSCDV-UHFFFAOYSA-N 0 3 475.659 3.091 20 0 JGADHN Cc1ccccc1Cc1nnc(N2CC=C(C)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001304596624 1067660214 /nfs/dbraw/zinc/66/02/14/1067660214.db2.gz FEHNXRWSSIAREQ-QHCPKHFHSA-N 0 3 450.631 3.276 20 0 JGADHN Cc1cnc([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CCC(C)(C)C)CC2)s1 ZINC001304609400 1067676948 /nfs/dbraw/zinc/67/69/48/1067676948.db2.gz ISANDAVLZMHFOJ-AEFFLSMTSA-N 0 3 459.664 3.356 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2(O)CCOCC2)CC1 ZINC001303182922 1067715376 /nfs/dbraw/zinc/71/53/76/1067715376.db2.gz HAGOXUGKZKZGEI-UHFFFAOYSA-N 0 3 451.974 3.057 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccc(Br)s3)n2CCN2CCOC[C@@H]2C)CC1 ZINC001303183154 1067715701 /nfs/dbraw/zinc/71/57/01/1067715701.db2.gz IHCOOVPNBZNMOC-KRWDZBQOSA-N 0 3 497.507 3.268 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CC=CCC2)CC1 ZINC001303183815 1067716491 /nfs/dbraw/zinc/71/64/91/1067716491.db2.gz GDVGIZFICPMHAH-FQEVSTJZSA-N 0 3 457.644 3.483 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[C@](C)(O)c2ccccc2)CC1 ZINC001303183645 1067716503 /nfs/dbraw/zinc/71/65/03/1067716503.db2.gz FSDCMTKJRRYYIM-RRPNLBNLSA-N 0 3 485.673 3.395 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CC[C@@H](F)C2)CC1 ZINC001303183630 1067716569 /nfs/dbraw/zinc/71/65/69/1067716569.db2.gz FRVHXIOYYZOVSS-AZUAARDMSA-N 0 3 463.623 3.265 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@]2(C)CN(C)C2=O)CC1 ZINC001303184823 1067718868 /nfs/dbraw/zinc/71/88/68/1067718868.db2.gz WGJDOMUUWKFXMJ-FQEVSTJZSA-N 0 3 481.464 3.025 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCCCCO)CC1 ZINC001303185013 1067719200 /nfs/dbraw/zinc/71/92/00/1067719200.db2.gz RRBHVDORSFHGJR-UHFFFAOYSA-N 0 3 467.456 3.377 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CC(=O)NC(C)C)CC1 ZINC001303185303 1067719950 /nfs/dbraw/zinc/71/99/50/1067719950.db2.gz YGLQHOFWBPPOBD-UHFFFAOYSA-N 0 3 481.414 3.149 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCOC2CCOCC2)CC1 ZINC001303186008 1067721696 /nfs/dbraw/zinc/72/16/96/1067721696.db2.gz SZXORTJTTVBJRA-UHFFFAOYSA-N 0 3 463.026 3.357 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccccn3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1=O ZINC001303188035 1067722008 /nfs/dbraw/zinc/72/20/08/1067722008.db2.gz BDDJIEPSQKVJDQ-QFIPXVFZSA-N 0 3 465.577 3.087 20 0 JGADHN Cc1nc([C@H]2CN(c3nnc(CC(C)(C)C)n3C[C@@H](c3ccccc3)N(C)C)CCO2)no1 ZINC001304654837 1067723160 /nfs/dbraw/zinc/72/31/60/1067723160.db2.gz ZNFOHWQWLMFPDT-VQTJNVASSA-N 0 3 453.591 3.439 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3cccn3C)n2C[C@H](c2cccc(F)c2)N(C)C)CC1=O ZINC001303189246 1067723492 /nfs/dbraw/zinc/72/34/92/1067723492.db2.gz PZCNRLXDLBTISF-JOCHJYFZSA-N 0 3 467.593 3.030 20 0 JGADHN Cc1nc(Cc2nnc(N(C)CCCS(C)(=O)=O)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)cs1 ZINC001304656226 1067724648 /nfs/dbraw/zinc/72/46/48/1067724648.db2.gz IIFCUOZZLBXILN-VGOFRKELSA-N 0 3 482.720 3.015 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(COC(C)(C)C)c2)CC1 ZINC001303190834 1067724945 /nfs/dbraw/zinc/72/49/45/1067724945.db2.gz OZIGNARYYBAHSD-QFIPXVFZSA-N 0 3 468.646 3.371 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@@H]3CCCOC3)n2CCOc2cccc(C(F)(F)F)n2)CC1 ZINC001303191773 1067726030 /nfs/dbraw/zinc/72/60/30/1067726030.db2.gz HUXRWEFMABMAIE-GOSISDBHSA-N 0 3 482.551 3.443 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@H]3CCOC3)n2CCNc2ncc(Cl)cc2Cl)CC1 ZINC001303192254 1067726766 /nfs/dbraw/zinc/72/67/66/1067726766.db2.gz PXCHSDDBRXNOKG-INIZCTEOSA-N 0 3 468.433 3.374 20 0 JGADHN CC(C)CN1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC001303195288 1067728376 /nfs/dbraw/zinc/72/83/76/1067728376.db2.gz FMHGUAYXZPCWIM-HXUWFJFHSA-N 0 3 471.650 3.203 20 0 JGADHN CC(C)CN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)Sc2ccccc2)CC1 ZINC001303196870 1067731151 /nfs/dbraw/zinc/73/11/51/1067731151.db2.gz ZKGJBMKTCGESET-HXUWFJFHSA-N 0 3 456.660 3.359 20 0 JGADHN CC(C)CN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCc2cnn(C)c2)CC1 ZINC001303197892 1067732726 /nfs/dbraw/zinc/73/27/26/1067732726.db2.gz UQUZRYJFFZCOOV-UHFFFAOYSA-N 0 3 457.573 3.291 20 0 JGADHN CC(C)CN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(O)CCSC2)CC1 ZINC001303198608 1067733729 /nfs/dbraw/zinc/73/37/29/1067733729.db2.gz GQDWCYWFAIVIOS-QFIPXVFZSA-N 0 3 466.051 3.157 20 0 JGADHN CC(C)CN1CCO[C@H](Cn2c(C(C)C)nnc2N2CCC(CCCN3CCOCC3)CC2)C1 ZINC001303201445 1067737157 /nfs/dbraw/zinc/73/71/57/1067737157.db2.gz LCNZXWGGQMLBSI-DEOSSOPVSA-N 0 3 476.710 3.087 20 0 JGADHN Cc1nc(Cc2nnc(N3CCN(C4CCOCC4)C[C@@H]3C)n2CCOC(C)(C)C)cs1 ZINC001304671821 1067741005 /nfs/dbraw/zinc/74/10/05/1067741005.db2.gz XWERIBNAUSVNRI-KRWDZBQOSA-N 0 3 462.664 3.138 20 0 JGADHN Cc1nc(Cc2nnc(N3CCN(C[C@H]4CCOC4)CC3)n2CC(C)(C)C(F)(F)F)cs1 ZINC001304674773 1067745625 /nfs/dbraw/zinc/74/56/25/1067745625.db2.gz VMRAOMXWCFYGPY-MRXNPFEDSA-N 0 3 472.581 3.381 20 0 JGADHN Cc1nc(C[C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C)N(C)Cc3ccccc3)C2)no1 ZINC001304676987 1067749054 /nfs/dbraw/zinc/74/90/54/1067749054.db2.gz NGJQHLBPQGIJAR-DENIHFKCSA-N 0 3 494.644 3.087 20 0 JGADHN CC(C)COc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCN(C(C)(C)C)CC2)cc1 ZINC001303219485 1067757163 /nfs/dbraw/zinc/75/71/63/1067757163.db2.gz FJJFTSNYSRYWGX-UHFFFAOYSA-N 0 3 468.646 3.404 20 0 JGADHN CC(C)CO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001303226624 1067762615 /nfs/dbraw/zinc/76/26/15/1067762615.db2.gz NRJGPLVUSLJTNG-FQEVSTJZSA-N 0 3 476.069 3.271 20 0 JGADHN CC(C)CO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2cccs2)N(C)C)C1 ZINC001303230514 1067765143 /nfs/dbraw/zinc/76/51/43/1067765143.db2.gz QAWSDVICPIVKEQ-OALUTQOASA-N 0 3 460.648 3.016 20 0 JGADHN CC(C)COCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001303232842 1067766296 /nfs/dbraw/zinc/76/62/96/1067766296.db2.gz IZTYENGGAHECFO-UHFFFAOYSA-N 0 3 489.064 3.406 20 0 JGADHN Cc1nccc(N2CCN(c3nnc(C(C)C)n3C[C@@H](c3ccc(F)cc3)N(C)C)CC2)n1 ZINC001304699949 1067770282 /nfs/dbraw/zinc/77/02/82/1067770282.db2.gz NSSFSPXRPBXOLN-NRFANRHFSA-N 0 3 452.582 3.269 20 0 JGADHN CC(C)CSCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001303249196 1067775469 /nfs/dbraw/zinc/77/54/69/1067775469.db2.gz OBCLOHADEBDPTD-QFIPXVFZSA-N 0 3 488.677 3.140 20 0 JGADHN CC(C)CSCCn1c(N2CCN(C3CCOCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001303249621 1067775713 /nfs/dbraw/zinc/77/57/13/1067775713.db2.gz DEILAKZCUZRAOB-DEOSSOPVSA-N 0 3 481.707 3.009 20 0 JGADHN Cc1nccn1CCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001304703889 1067776398 /nfs/dbraw/zinc/77/63/98/1067776398.db2.gz LEWXPULEMRQIPH-UHFFFAOYSA-N 0 3 499.063 3.377 20 0 JGADHN CC(C)CSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001303253819 1067779724 /nfs/dbraw/zinc/77/97/24/1067779724.db2.gz YDXANENMFDFVIO-OAQYLSRUSA-N 0 3 451.681 3.110 20 0 JGADHN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cnn(C)c2)n1C[C@H](c1cccs1)N(C)C ZINC001304718511 1067790109 /nfs/dbraw/zinc/79/01/09/1067790109.db2.gz ACVGQFRIBLKTEB-LJQANCHMSA-N 0 3 453.620 3.030 20 0 JGADHN CC(C)N(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCSC(C)(C)C1 ZINC001303271323 1067799949 /nfs/dbraw/zinc/79/99/49/1067799949.db2.gz QHRRDVCIJZWDQC-UHFFFAOYSA-N 0 3 451.662 3.021 20 0 JGADHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 ZINC001303273180 1067801674 /nfs/dbraw/zinc/80/16/74/1067801674.db2.gz IDBQNHGEBMCLKG-HZPDHXFCSA-N 0 3 458.282 3.357 20 0 JGADHN CC(C)N(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(C)[C@H](C1)C2(Cl)Cl)C(C)C ZINC001303296982 1067820853 /nfs/dbraw/zinc/82/08/53/1067820853.db2.gz NRWCLLRZUBXINF-FUHIMQAGSA-N 0 3 492.517 3.319 20 0 JGADHN CC(C)N(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CCCCCC[C@@H]21)C(C)C ZINC001303298254 1067822575 /nfs/dbraw/zinc/82/25/75/1067822575.db2.gz JVQFWMDYKWHABD-NJYVYQBISA-N 0 3 451.681 3.458 20 0 JGADHN CC(C)N1CCC[C@H](Cn2c(-c3ccccc3F)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)C1 ZINC001303304566 1067831583 /nfs/dbraw/zinc/83/15/83/1067831583.db2.gz OCAFSCBOWSZGFC-OTWHNJEPSA-N 0 3 465.639 3.462 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N3CCCO[C@H](C)C3)n2C[C@@H](c2cccc(F)c2)N(C)C)n1 ZINC001304757992 1067842017 /nfs/dbraw/zinc/84/20/17/1067842017.db2.gz BREIOKAWXQBPOM-KNQAVFIVSA-N 0 3 455.582 3.197 20 0 JGADHN CC(C)N1CCN([C@@H]2CCN(c3nnc(C(C)(C)C)n3C[C@@](C)(O)c3ccc(F)cc3)C2)CC1 ZINC001303316786 1067844234 /nfs/dbraw/zinc/84/42/34/1067844234.db2.gz IXUWMAYZGDGSOW-ATIYNZHBSA-N 0 3 472.653 3.227 20 0 JGADHN CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccco2)n1Cc1ccccc1CN1CCC(O)CC1 ZINC001303325098 1067854153 /nfs/dbraw/zinc/85/41/53/1067854153.db2.gz QDNQPNCGFATMCK-LJQANCHMSA-N 0 3 480.613 3.212 20 0 JGADHN CC(C)NC(=O)c1nnc(N(C)Cc2csc(Br)c2)n1CCN1CCCCC1 ZINC001303335832 1067865079 /nfs/dbraw/zinc/86/50/79/1067865079.db2.gz YXUIJQHRQKVUIF-UHFFFAOYSA-N 0 3 469.453 3.363 20 0 JGADHN Cc1nnc(N(Cc2cnn(C)c2)Cc2ccc(Cl)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001304804301 1067886242 /nfs/dbraw/zinc/88/62/42/1067886242.db2.gz PGHBKHZISMZBOO-QHCPKHFHSA-N 0 3 499.063 3.123 20 0 JGADHN Cc1nnc(N2CCN(C3CCOCC3)CC2)n1CCC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001304856538 1067906351 /nfs/dbraw/zinc/90/63/51/1067906351.db2.gz QKUVHKZGOQZKHE-NRFANRHFSA-N 0 3 462.639 3.067 20 0 JGADHN Cc1noc([C@@H](C)N2CCN(c3nnc(CC(C)C)n3C[C@@H](c3cccs3)N(C)C)CC2)n1 ZINC001304875002 1067917580 /nfs/dbraw/zinc/91/75/80/1067917580.db2.gz KYELNMRBMSRAOP-MJGOQNOKSA-N 0 3 472.663 3.416 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCCN(Cc3ccccc3)CC2)n1Cc1ccc(OC(C)C)nc1 ZINC001303397189 1067925508 /nfs/dbraw/zinc/92/55/08/1067925508.db2.gz DMAUDYQUPKCCFF-UHFFFAOYSA-N 0 3 491.640 3.359 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1CCc1c[nH]c2cc(F)ccc12 ZINC001303403277 1067931973 /nfs/dbraw/zinc/93/19/73/1067931973.db2.gz SCZAUKZSYJEKGB-UHFFFAOYSA-N 0 3 455.582 3.200 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3F)C[C@H]2C)n1CCN1CCCC(C)(C)C1 ZINC001303404587 1067932961 /nfs/dbraw/zinc/93/29/61/1067932961.db2.gz WXNJXSVBTKDQIY-HXUWFJFHSA-N 0 3 485.652 3.393 20 0 JGADHN C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccccc2F)n1C[C@H](c1cccs1)N(C)C ZINC001304907126 1067950546 /nfs/dbraw/zinc/95/05/46/1067950546.db2.gz OMNBXRZMMRNDTE-FUHWJXTLSA-N 0 3 472.590 3.028 20 0 JGADHN C[C@@H]1C(=O)N(C)CCN1c1nnc(CC(C)(C)C)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001304907475 1067951011 /nfs/dbraw/zinc/95/10/11/1067951011.db2.gz KWFODSQFMJEUDG-LJQANCHMSA-N 0 3 452.647 3.371 20 0 JGADHN C[C@H]1c2cc(F)cc(F)c2CCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN(C)C ZINC001304911640 1067955307 /nfs/dbraw/zinc/95/53/07/1067955307.db2.gz KXBLCKYRJYXGIH-HOTGVXAUSA-N 0 3 481.613 3.170 20 0 JGADHN C[C@@H]1C[C@@H](C)CN(C(C)(C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCCCCC2)C1 ZINC001304913068 1067957125 /nfs/dbraw/zinc/95/71/25/1067957125.db2.gz SRZXSTQJMMALPR-AQNXPRMDSA-N 0 3 451.681 3.317 20 0 JGADHN CC(C)NC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C2CCCC2)CC1 ZINC001303446283 1067967125 /nfs/dbraw/zinc/96/71/25/1067967125.db2.gz CMDUMIQSIHPSQF-UHFFFAOYSA-N 0 3 475.435 3.297 20 0 JGADHN C[C@@H]1C[C@H](C)CN(CCCn2c(CCc3ccccc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001304926669 1067971232 /nfs/dbraw/zinc/97/12/32/1067971232.db2.gz GTSBHBQRKYWBPN-FUPPJEDESA-N 0 3 473.687 3.055 20 0 JGADHN CC(C)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2C[C@H](C)C[C@H](C)C2)CC1 ZINC001304928399 1067976068 /nfs/dbraw/zinc/97/60/68/1067976068.db2.gz NOKNOPWBTKHNHA-VWPQPMDRSA-N 0 3 465.708 3.421 20 0 JGADHN C[C@@H]1C[C@@H](c2ccccc2)CN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN(C)C ZINC001304929223 1067977549 /nfs/dbraw/zinc/97/75/49/1067977549.db2.gz BAYPDZKBTXBAGR-HMXCVIKNSA-N 0 3 459.660 3.150 20 0 JGADHN C[C@@H]1CCc2sc(-c3nnc(N(C)[C@@H]4CCS(=O)(=O)C4)n3CC(C)(C)CN(C)C)cc2C1 ZINC001304980068 1068018753 /nfs/dbraw/zinc/01/87/53/1068018753.db2.gz CMTIMQFCVAGMMS-SJLPKXTDSA-N 0 3 479.716 3.343 20 0 JGADHN CC1CCC(N2CCN(c3nnc([C@H]4CCCO4)n3CCCCCS(C)(=O)=O)CC2)CC1 ZINC001304980162 1068019093 /nfs/dbraw/zinc/01/90/93/1068019093.db2.gz FRVFAGYIEQPRAV-XVAXZDLZSA-N 0 3 467.680 3.045 20 0 JGADHN CC1CCC(N2CCN(c3nnc([C@@H]4CCCCO4)n3CCSCCCO)CC2)CC1 ZINC001304980674 1068019885 /nfs/dbraw/zinc/01/98/85/1068019885.db2.gz QLVCUSWFNZXRMJ-CBNMVNINSA-N 0 3 451.681 3.336 20 0 JGADHN C[C@@H]1CCC[C@](Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](S(C)(=O)=O)C2)(N(C)C)C1 ZINC001304988683 1068030978 /nfs/dbraw/zinc/03/09/78/1068030978.db2.gz QFNNKBCMSGSLNI-MSYCTHLASA-N 0 3 453.697 3.391 20 0 JGADHN C[C@@H]1CCC[C@@](Cn2c(CC(C)(C)C)nnc2N2CCC[C@H](S(C)(=O)=O)C2)(N(C)C)C1 ZINC001304988685 1068030998 /nfs/dbraw/zinc/03/09/98/1068030998.db2.gz QFNNKBCMSGSLNI-SELNLUPBSA-N 0 3 453.697 3.391 20 0 JGADHN C[C@@H]1CCC[C@@](Cn2c(CC(C)(C)C)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)(N(C)C)C1 ZINC001304988682 1068031086 /nfs/dbraw/zinc/03/10/86/1068031086.db2.gz QFNNKBCMSGSLNI-DNVFCKCGSA-N 0 3 453.697 3.391 20 0 JGADHN C[C@@H]1CCC[C@](Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@H](S(C)(=O)=O)C2)(N(C)C)C1 ZINC001304990334 1068032687 /nfs/dbraw/zinc/03/26/87/1068032687.db2.gz ULQAILWWNOIZTB-GGUMNFRJSA-N 0 3 495.640 3.281 20 0 JGADHN CC(C)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCC[C@@H](C)C1)N1CCCC1 ZINC001304991239 1068033548 /nfs/dbraw/zinc/03/35/48/1068033548.db2.gz RIYXCLVIVHCVAX-MXEMCNAFSA-N 0 3 451.681 3.316 20 0 JGADHN CC(C)O[C@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@H]2CCCSC2)CCOC1 ZINC001303504623 1068037007 /nfs/dbraw/zinc/03/70/07/1068037007.db2.gz XAFSLGLMNSKXJA-WMZHIEFXSA-N 0 3 451.681 3.382 20 0 JGADHN CC(C)O[C@@]1(c2nnc(N3CCSCC3)n2C[C@H](c2cccs2)N(C)C)CCOC1 ZINC001303511420 1068047114 /nfs/dbraw/zinc/04/71/14/1068047114.db2.gz TZODIADRVGLKFC-UTKZUKDTSA-N 0 3 451.662 3.236 20 0 JGADHN CC(C)Oc1cccc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCC2)c1 ZINC001303517463 1068050893 /nfs/dbraw/zinc/05/08/93/1068050893.db2.gz VGZFZQDRVAJPMJ-NRFANRHFSA-N 0 3 489.686 3.478 20 0 JGADHN C[C@H]1CCCCN1C[C@H]1CCCN(c2nnc(Cc3ccccc3F)n2CCS(C)(=O)=O)C1 ZINC001305013997 1068054891 /nfs/dbraw/zinc/05/48/91/1068054891.db2.gz OWBQZWJGDONGJU-VQTJNVASSA-N 0 3 477.650 3.143 20 0 JGADHN C[C@@H]1CCCCN1C[C@H]1CCCN(c2nnc(Cc3ccccc3F)n2CCS(C)(=O)=O)C1 ZINC001305013998 1068054960 /nfs/dbraw/zinc/05/49/60/1068054960.db2.gz OWBQZWJGDONGJU-WOJBJXKFSA-N 0 3 477.650 3.143 20 0 JGADHN C[C@H]1CCCCN1C[C@H]1CCCN(c2nnc(Cc3ccsc3)n2CCS(C)(=O)=O)C1 ZINC001305014333 1068055719 /nfs/dbraw/zinc/05/57/19/1068055719.db2.gz RLVFSYDRNIJXBF-AZUAARDMSA-N 0 3 465.689 3.066 20 0 JGADHN C[C@@H]1CCCCN1CCCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001305015506 1068058258 /nfs/dbraw/zinc/05/82/58/1068058258.db2.gz JUTIEVKBJAKRGW-QZTJIDSGSA-N 0 3 466.051 3.486 20 0 JGADHN C[C@@H](CS(C)(=O)=O)N(C)c1nnc(CC2CCCC2)n1CC(C)(C)N1CCC[C@@H](C)C1 ZINC001305021295 1068069360 /nfs/dbraw/zinc/06/93/60/1068069360.db2.gz ULFKOYFEDAPCEY-MOPGFXCFSA-N 0 3 453.697 3.391 20 0 JGADHN C[C@@H]1CCCCN1CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001305021600 1068069808 /nfs/dbraw/zinc/06/98/08/1068069808.db2.gz YEXWEWDKOPWERB-YLJYHZDGSA-N 0 3 497.612 3.434 20 0 JGADHN CC(C)OCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCCCC2)CC1 ZINC001303544274 1068072340 /nfs/dbraw/zinc/07/23/40/1068072340.db2.gz CCTWVCXHCHXAMP-UHFFFAOYSA-N 0 3 455.607 3.195 20 0 JGADHN CC(C)OCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001303546037 1068073663 /nfs/dbraw/zinc/07/36/63/1068073663.db2.gz IQCUTVQVRAMHEY-SFHVURJKSA-N 0 3 495.466 3.020 20 0 JGADHN C[C@@H]1CCCN(C(C)(C)Cn2c(-c3ccccc3F)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001305022835 1068074436 /nfs/dbraw/zinc/07/44/36/1068074436.db2.gz OEFIAVRKHKTTGC-QZTJIDSGSA-N 0 3 463.623 3.218 20 0 JGADHN CC(C)c1nnc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001305023739 1068077281 /nfs/dbraw/zinc/07/72/81/1068077281.db2.gz IWOVXKXSUFJGPL-PMACEKPBSA-N 0 3 454.619 3.190 20 0 JGADHN CC(C)c1nnc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)n1C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001305023739 1068077294 /nfs/dbraw/zinc/07/72/94/1068077294.db2.gz IWOVXKXSUFJGPL-PMACEKPBSA-N 0 3 454.619 3.190 20 0 JGADHN C[C@@H]1CCCN(CCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCSCC2)C1 ZINC001305041602 1068096438 /nfs/dbraw/zinc/09/64/38/1068096438.db2.gz FIQQRKPVTWXZIP-QGZVFWFLSA-N 0 3 463.051 3.147 20 0 JGADHN CC(C)NC(=O)c1nnc(N(C)CCOc2ccccc2Cl)n1CCN1CCC[C@@H](C)C1 ZINC001305041657 1068096689 /nfs/dbraw/zinc/09/66/89/1068096689.db2.gz GBVRQUVDZAEVKD-GOSISDBHSA-N 0 3 463.026 3.317 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CC[C@@H](COc3ccccc3)C2)n1CCN1CCC[C@@H](C)C1 ZINC001305042856 1068099038 /nfs/dbraw/zinc/09/90/38/1068099038.db2.gz LQWNSVIMRPKYAX-NHCUHLMSSA-N 0 3 454.619 3.054 20 0 JGADHN C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCC[C@H](C)C2)C[C@H]1C(F)(F)F ZINC001305043530 1068099610 /nfs/dbraw/zinc/09/96/10/1068099610.db2.gz QRIBRRVAIRPOPN-GVDBMIGSSA-N 0 3 465.524 3.292 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCC[C@@H](c3noc(C(C)C)n3)C2)n1CCN1CCC[C@H](C)C1 ZINC001305043700 1068100263 /nfs/dbraw/zinc/10/02/63/1068100263.db2.gz SKTOQCXUOLWKHA-RBUKOAKNSA-N 0 3 472.638 3.039 20 0 JGADHN C[C@H]1CCCN(CCn2c([C@H]3CCCOC3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)C1 ZINC001305049768 1068110417 /nfs/dbraw/zinc/11/04/17/1068110417.db2.gz TUCNEOKCBRJDQW-WMZOPIPTSA-N 0 3 457.541 3.252 20 0 JGADHN C[C@@H]1CCCN1CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 ZINC001305058518 1068121245 /nfs/dbraw/zinc/12/12/45/1068121245.db2.gz HJJUEZPQVQOSRY-CQSZACIVSA-N 0 3 471.553 3.110 20 0 JGADHN C[C@H]1CCCN1CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(F)cc1F ZINC001305058925 1068122277 /nfs/dbraw/zinc/12/22/77/1068122277.db2.gz JKIXHWRIVXGQAW-INIZCTEOSA-N 0 3 455.513 3.324 20 0 JGADHN CC(C)NC(=O)c1nnc(N(C)CCOc2ccc(F)cc2)n1C[C@H](C)N1CCC(C)CC1 ZINC001305063643 1068133252 /nfs/dbraw/zinc/13/32/52/1068133252.db2.gz IMVXDADRGPHKCD-IBGZPJMESA-N 0 3 460.598 3.191 20 0 JGADHN C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC(C)(C)OC[C@@H]1C)N1CCC(C)CC1 ZINC001305068830 1068142840 /nfs/dbraw/zinc/14/28/40/1068142840.db2.gz YGUWWYHIJXSHQP-OALUTQOASA-N 0 3 455.607 3.050 20 0 JGADHN CC1CCN(CCCn2c(Cc3ccsc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001305103410 1068170517 /nfs/dbraw/zinc/17/05/17/1068170517.db2.gz IUDDKWMTZSURRN-HXUWFJFHSA-N 0 3 465.689 3.066 20 0 JGADHN CC1CCN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccc2F)CC1 ZINC001305103474 1068171036 /nfs/dbraw/zinc/17/10/36/1068171036.db2.gz JZJHVRLCEMYHKJ-FQEVSTJZSA-N 0 3 463.623 3.078 20 0 JGADHN C[C@@H](CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)N1CCCCC1 ZINC001303665878 1068199391 /nfs/dbraw/zinc/19/93/91/1068199391.db2.gz GSQIEGARRBZFGH-UGKGYDQZSA-N 0 3 493.649 3.274 20 0 JGADHN C[C@@H](CCn1c(-c2ccccc2Cl)nnc1N1CCS(=O)(=O)CC1)N1CCCCC1 ZINC001303666518 1068200451 /nfs/dbraw/zinc/20/04/51/1068200451.db2.gz YHTWYLCZVWMAKM-KRWDZBQOSA-N 0 3 452.024 3.098 20 0 JGADHN C[C@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1F)N1CCCCC1 ZINC001303668794 1068203462 /nfs/dbraw/zinc/20/34/62/1068203462.db2.gz PWSDVBFHPFPJOE-QUCCMNQESA-N 0 3 463.623 3.220 20 0 JGADHN C[C@H](CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(N(C)C)CCSC1)c1nccs1 ZINC001303676536 1068215666 /nfs/dbraw/zinc/21/56/66/1068215666.db2.gz ZBAKUKHPXCGPOV-ZHRRBRCNSA-N 0 3 486.671 3.059 20 0 JGADHN C[C@@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCN2CC=CCC2)CCS1 ZINC001305133586 1068220128 /nfs/dbraw/zinc/22/01/28/1068220128.db2.gz OYFXWSBFCKZRJO-OAHLLOKOSA-N 0 3 451.438 3.250 20 0 JGADHN C[C@H](Cn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1C(C)(C)C)c1ccc(F)cc1 ZINC001303739729 1068299951 /nfs/dbraw/zinc/29/99/51/1068299951.db2.gz VRELXYKLVODNBP-NQIIRXRSSA-N 0 3 456.610 3.261 20 0 JGADHN C[C@H](Cn1c(CCCc2ccccc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)CN1CCCCC1 ZINC001303753628 1068315350 /nfs/dbraw/zinc/31/53/50/1068315350.db2.gz NMYGYWVOMDEOHL-JTHBVZDNSA-N 0 3 473.687 3.199 20 0 JGADHN CC(C)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C)CN2CCOCC2)CC1 ZINC001303754220 1068316811 /nfs/dbraw/zinc/31/68/11/1068316811.db2.gz GTZKNARZDCVLGA-GOSISDBHSA-N 0 3 465.017 3.236 20 0 JGADHN C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(C2CCC2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001303766719 1068338699 /nfs/dbraw/zinc/33/86/99/1068338699.db2.gz VNEYBNMNFPZUCW-SFHVURJKSA-N 0 3 462.639 3.007 20 0 JGADHN C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](c2cccs2)N(C)C)C[C@@H](C)O1 ZINC001305211898 1068342093 /nfs/dbraw/zinc/34/20/93/1068342093.db2.gz VCLLJBUBSOPKJV-BRWVUGGUSA-N 0 3 474.656 3.248 20 0 JGADHN C[C@H]1SCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCN(C)C(C)(C)C2)[C@@H]1C ZINC001305254927 1068417394 /nfs/dbraw/zinc/41/73/94/1068417394.db2.gz MVFMVKNGUDLQAH-HZPDHXFCSA-N 0 3 496.523 3.392 20 0 JGADHN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)[C@@H]3CCCC[C@H]32)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001303829083 1068451571 /nfs/dbraw/zinc/45/15/71/1068451571.db2.gz XYYDLVGXWRILES-BVKOHWRASA-N 0 3 492.665 3.345 20 0 JGADHN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)[C@@H]3CCCC[C@H]32)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001303829090 1068451582 /nfs/dbraw/zinc/45/15/82/1068451582.db2.gz XYYDLVGXWRILES-ZBWQPJPKSA-N 0 3 492.665 3.345 20 0 JGADHN CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@H](c2ccc(F)cc2)N(C)C)C1 ZINC001305270992 1068467297 /nfs/dbraw/zinc/46/72/97/1068467297.db2.gz YRLGFYCCOYIQRM-FCHUYYIVSA-N 0 3 465.577 3.277 20 0 JGADHN CCC(=O)N[C@H]1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC001305278058 1068479522 /nfs/dbraw/zinc/47/95/22/1068479522.db2.gz NXSKSEAIRQWEQB-LCXINAFSSA-N 0 3 498.672 3.108 20 0 JGADHN CCC(C)(C)Cn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001305284957 1068486427 /nfs/dbraw/zinc/48/64/27/1068486427.db2.gz IYSOXTQMPCIXNR-FQEVSTJZSA-N 0 3 484.645 3.045 20 0 JGADHN CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001305288480 1068491404 /nfs/dbraw/zinc/49/14/04/1068491404.db2.gz OIKQZRBOWNFMLE-OAQYLSRUSA-N 0 3 456.610 3.187 20 0 JGADHN CC[C@](C)(O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001305293705 1068498217 /nfs/dbraw/zinc/49/82/17/1068498217.db2.gz IQULBFURVBUJSZ-WOVHNISZSA-N 0 3 488.652 3.323 20 0 JGADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCCCC3)CC2)n1CC(F)(F)c1ccccc1 ZINC001303862125 1068500997 /nfs/dbraw/zinc/50/09/97/1068500997.db2.gz IIGXFBKZDPXNFA-GOSISDBHSA-N 0 3 496.628 3.135 20 0 JGADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCCCC3)CC2)n1CCCC(C)(C)C ZINC001303863405 1068501665 /nfs/dbraw/zinc/50/16/65/1068501665.db2.gz RMRPMIDHAVZLNW-SFHVURJKSA-N 0 3 454.685 3.169 20 0 JGADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1CC1(C)CCCC1 ZINC001303865168 1068502302 /nfs/dbraw/zinc/50/23/02/1068502302.db2.gz NOHHTXJCZVCWOU-SFHVURJKSA-N 0 3 454.685 3.027 20 0 JGADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@@H]1CCCC1(C)C ZINC001303865955 1068502707 /nfs/dbraw/zinc/50/27/07/1068502707.db2.gz WTXYDHWBPFGSFZ-MOPGFXCFSA-N 0 3 468.712 3.273 20 0 JGADHN CC(C)N(CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC001303893448 1068531595 /nfs/dbraw/zinc/53/15/95/1068531595.db2.gz SXAFUNNSWBLFIT-AZUAARDMSA-N 0 3 481.638 3.299 20 0 JGADHN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCS(=O)(=O)CC2)n1C[C@@H](C1CCCCC1)N(C)C ZINC001303901423 1068544896 /nfs/dbraw/zinc/54/48/96/1068544896.db2.gz JVSASZSGWDJSKS-AVRDEDQJSA-N 0 3 493.649 3.303 20 0 JGADHN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCS(=O)(=O)CC2)n1C[C@@H](C1CCCCC1)N(C)C ZINC001303901424 1068544944 /nfs/dbraw/zinc/54/49/44/1068544944.db2.gz JVSASZSGWDJSKS-GCJKJVERSA-N 0 3 493.649 3.303 20 0 JGADHN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CCN1CCCCC1 ZINC001303906582 1068552671 /nfs/dbraw/zinc/55/26/71/1068552671.db2.gz KSLQATWNLUCBKU-MSOLQXFVSA-N 0 3 461.010 3.224 20 0 JGADHN CC[C@@H](C)[C@@](C)(O)Cn1c(CCOc2ccccc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001305333958 1068563806 /nfs/dbraw/zinc/56/38/06/1068563806.db2.gz KLIAQZLFRRWVTO-LOYIFYEOSA-N 0 3 485.673 3.386 20 0 JGADHN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1CCCN1CCCC[C@@H]1C ZINC001303923648 1068577695 /nfs/dbraw/zinc/57/76/95/1068577695.db2.gz HJELBIBQNWKIIT-SLFFLAALSA-N 0 3 493.649 3.445 20 0 JGADHN CC[C@@H](C)c1nnc(N(C)CC(C)(C)CN2CCOCC2)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001305374170 1068628521 /nfs/dbraw/zinc/62/85/21/1068628521.db2.gz CODNJGVDKDXMNR-VSKRKVRLSA-N 0 3 478.726 3.474 20 0 JGADHN CC[C@H](C)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC001305410823 1068649381 /nfs/dbraw/zinc/64/93/81/1068649381.db2.gz OTGQOXWSGVSCHW-IPJJNNNSSA-N 0 3 454.619 3.304 20 0 JGADHN CC[C@H](C)c1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001305412088 1068651411 /nfs/dbraw/zinc/65/14/11/1068651411.db2.gz NTGQRTXGMJBYMZ-OCCJOITDSA-N 0 3 474.694 3.374 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001305426118 1068662963 /nfs/dbraw/zinc/66/29/63/1068662963.db2.gz NXJXWQKZRVDFHV-VXKWHMMOSA-N 0 3 496.704 3.376 20 0 JGADHN CC[C@H](C)c1nnc(N2CC[C@@H](C(=O)OC)C2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001305426773 1068664103 /nfs/dbraw/zinc/66/41/03/1068664103.db2.gz QDDDKUXDBRMLLZ-KSEOMHKRSA-N 0 3 455.603 3.082 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC(C(=O)N3CCCCC3)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305426667 1068664212 /nfs/dbraw/zinc/66/42/12/1068664212.db2.gz QMGTUMBXYMBFGV-NRFANRHFSA-N 0 3 473.710 3.047 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1C[C@H](c1ccco1)N(CC)CC ZINC001305434508 1068671114 /nfs/dbraw/zinc/67/11/14/1068671114.db2.gz NDSZMAHMTHSNQI-SXMMONRFSA-N 0 3 485.633 3.282 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCC(CN3CCOCC3)CC2)n1CC(F)(F)C1(OC)CCOCC1 ZINC001305447245 1068681125 /nfs/dbraw/zinc/68/11/25/1068681125.db2.gz ZJMNWWVVSILENU-LJQANCHMSA-N 0 3 485.620 3.171 20 0 JGADHN CC[C@H](C)c1nnc(N2CC[C@@H](N3CCN(CC)CC3)C2)n1Cc1ccc(NC(C)=O)cc1 ZINC001305454870 1068693267 /nfs/dbraw/zinc/69/32/67/1068693267.db2.gz APIZZXCTVOMJNX-WMZHIEFXSA-N 0 3 453.635 3.015 20 0 JGADHN CC[C@H](C)c1nnc(N2CC[C@@H](N3CCN(CC)CC3)C2)n1C[C@@](C)(O)c1ccc(F)cc1 ZINC001305454863 1068693314 /nfs/dbraw/zinc/69/33/14/1068693314.db2.gz AMSSLSYOGPOMMZ-UWUFEASWSA-N 0 3 458.626 3.055 20 0 JGADHN CC[C@H](C)c1nnc(N2CC[C@@H](N3CCN(CC)CC3)C2)n1Cc1ccnc(OC(F)F)c1 ZINC001305456551 1068696526 /nfs/dbraw/zinc/69/65/26/1068696526.db2.gz GBEOVJOZTWDZLQ-PKOBYXMFSA-N 0 3 463.577 3.053 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1C[C@H]1CCN(c2ccccc2F)C1 ZINC001305511508 1068752292 /nfs/dbraw/zinc/75/22/92/1068752292.db2.gz BQLFBSLNSHFENZ-YADHBBJMSA-N 0 3 499.679 3.448 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1c(F)cc(F)c(F)c1F ZINC001305511547 1068752755 /nfs/dbraw/zinc/75/27/55/1068752755.db2.gz AJAMOVRPEQCMLZ-HNNXBMFYSA-N 0 3 482.526 3.141 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCCc1cccc(F)c1 ZINC001305512681 1068755249 /nfs/dbraw/zinc/75/52/49/1068755249.db2.gz HLLFFGQOAVHNCB-DENIHFKCSA-N 0 3 456.610 3.306 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCCOc1cccc(OC)c1 ZINC001305512673 1068755469 /nfs/dbraw/zinc/75/54/69/1068755469.db2.gz HLDMRHNVOPUGPD-NZQKXSOJSA-N 0 3 484.645 3.012 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCCc1cccc(F)c1 ZINC001305512686 1068756192 /nfs/dbraw/zinc/75/61/92/1068756192.db2.gz HLLFFGQOAVHNCB-UGKGYDQZSA-N 0 3 456.610 3.306 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCc1cccc(F)c1F ZINC001305512680 1068756216 /nfs/dbraw/zinc/75/62/16/1068756216.db2.gz DBZJIEWQDHUJLZ-GOSISDBHSA-N 0 3 460.573 3.057 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCCc1cccc(F)c1 ZINC001305512684 1068756234 /nfs/dbraw/zinc/75/62/34/1068756234.db2.gz HLLFFGQOAVHNCB-SIKLNZKXSA-N 0 3 456.610 3.306 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1Cc1c(F)cccc1SC ZINC001305514185 1068759583 /nfs/dbraw/zinc/75/95/83/1068759583.db2.gz NSQGFOSUGPWKDI-YLJYHZDGSA-N 0 3 474.650 3.444 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 ZINC001305514458 1068759975 /nfs/dbraw/zinc/75/99/75/1068759975.db2.gz PBBACTZSECFHHM-PMACEKPBSA-N 0 3 498.672 3.162 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)N3CCCC3)CC2)n1C[C@H](c1cccc(OC)c1)N(C)C ZINC001305514249 1068760069 /nfs/dbraw/zinc/76/00/69/1068760069.db2.gz MLDUOHFDLIWPIR-NFBKMPQASA-N 0 3 483.661 3.441 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1cccc(CSC)c1 ZINC001305514734 1068761361 /nfs/dbraw/zinc/76/13/61/1068761361.db2.gz PWVUCMRWGDUWRC-FQEVSTJZSA-N 0 3 470.687 3.447 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)NC)CC2)n1C[C@H](c1cccc(OC)c1)N1CCCC1 ZINC001305517649 1068766575 /nfs/dbraw/zinc/76/65/75/1068766575.db2.gz YWOYYEMKVRODNU-DENIHFKCSA-N 0 3 469.634 3.099 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)NC)CC2)n1C[C@H](c1cccc(OC)c1)N1CCCC1 ZINC001305517655 1068766610 /nfs/dbraw/zinc/76/66/10/1068766610.db2.gz YWOYYEMKVRODNU-SIKLNZKXSA-N 0 3 469.634 3.099 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305528990 1068783652 /nfs/dbraw/zinc/78/36/52/1068783652.db2.gz XTRSUGARTAAWTN-LJQANCHMSA-N 0 3 475.085 3.193 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C3CCOCC3)CC2)n1Cc1ccccc1OCCOC ZINC001305529601 1068784350 /nfs/dbraw/zinc/78/43/50/1068784350.db2.gz DVXPUJVWXUPFBA-FQEVSTJZSA-N 0 3 457.619 3.166 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CCCN(C)CC(F)(F)F ZINC001305532404 1068789543 /nfs/dbraw/zinc/78/95/43/1068789543.db2.gz BFXRFAPHKTVSOV-MSOLQXFVSA-N 0 3 460.589 3.365 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(CC(C)C)CC2)n1C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001305537116 1068800004 /nfs/dbraw/zinc/80/00/04/1068800004.db2.gz IMFBOVRONPZGFR-LADGPHEKSA-N 0 3 454.663 3.471 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(CC(F)F)CC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001305539069 1068806164 /nfs/dbraw/zinc/80/61/64/1068806164.db2.gz OMLOKXDOTIDPQK-RBBKRZOGSA-N 0 3 476.616 3.470 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(Cc3ccsc3)CC2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001305541024 1068811078 /nfs/dbraw/zinc/81/10/78/1068811078.db2.gz GUNVLSCIXUZDKV-LEWJYISDSA-N 0 3 459.708 3.201 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(CCN(C)Cc3ccccc3)CC2)n1C[C@H]1OCC[C@H]1C ZINC001305543423 1068817729 /nfs/dbraw/zinc/81/77/29/1068817729.db2.gz JNLVMLRNJUARGT-WMTXJRDZSA-N 0 3 454.663 3.471 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(CCN(C)Cc3ccccc3)CC2)n1C[C@H]1OCC[C@H]1C ZINC001305543422 1068817999 /nfs/dbraw/zinc/81/79/99/1068817999.db2.gz JNLVMLRNJUARGT-CQOQZXRMSA-N 0 3 454.663 3.471 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(CCN(C)Cc3ccccc3)CC2)n1C[C@@H]1CC=CCO1 ZINC001305545182 1068823096 /nfs/dbraw/zinc/82/30/96/1068823096.db2.gz VOOOTHRZFYPNSX-VWNXMTODSA-N 0 3 452.647 3.391 20 0 JGADHN CC[C@H](C)c1nnc(N2CCO[C@H](c3cccc(OC)c3)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305554847 1068832803 /nfs/dbraw/zinc/83/28/03/1068832803.db2.gz MADKYWVKTQIFDZ-REWPJTCUSA-N 0 3 470.662 3.404 20 0 JGADHN CC[C@H](C)c1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001305555291 1068833001 /nfs/dbraw/zinc/83/30/01/1068833001.db2.gz XWKDKYIHLCOBNV-IRXDYDNUSA-N 0 3 468.572 3.053 20 0 JGADHN CC[C@H](C)c1nnc(N2CCO[C@H](c3ccc(F)cc3)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001305556268 1068833886 /nfs/dbraw/zinc/83/38/86/1068833886.db2.gz MEGOPNHMZIOVSC-VJBMBRPKSA-N 0 3 486.636 3.451 20 0 JGADHN CC[C@@H](C)[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001305604091 1068869034 /nfs/dbraw/zinc/86/90/34/1068869034.db2.gz DPQVFHBUYOFWCZ-GOSISDBHSA-N 0 3 498.031 3.392 20 0 JGADHN CC[C@@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001305604091 1068869038 /nfs/dbraw/zinc/86/90/38/1068869038.db2.gz DPQVFHBUYOFWCZ-GOSISDBHSA-N 0 3 498.031 3.392 20 0 JGADHN CC[C@H](C)N(C)CCn1c(-c2cc(C)nc3ccccc32)nnc1N(C)CCS(C)(=O)=O ZINC001305605492 1068872078 /nfs/dbraw/zinc/87/20/78/1068872078.db2.gz FGOOXSWBWFUWFG-SFHVURJKSA-N 0 3 458.632 3.013 20 0 JGADHN CC[C@H](C)N(C)CCn1c(-c2cc(C)nc3ccccc32)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001305606838 1068874609 /nfs/dbraw/zinc/87/46/09/1068874609.db2.gz IMUGIGQOIKEYJF-RBUKOAKNSA-N 0 3 470.643 3.155 20 0 JGADHN CC[C@H](C)N(C)CCn1c(C(=O)NC(C)C)nnc1N1CCC2(Cc3ccccc3C2=O)CC1 ZINC001305607641 1068876460 /nfs/dbraw/zinc/87/64/60/1068876460.db2.gz XUHWGNNWELSJIJ-IBGZPJMESA-N 0 3 466.630 3.172 20 0 JGADHN CC[C@@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccc(F)c1)C1CC1 ZINC001305616950 1068897343 /nfs/dbraw/zinc/89/73/43/1068897343.db2.gz JKPDWUOIUKYCPR-IEBWSBKVSA-N 0 3 463.623 3.219 20 0 JGADHN CC[C@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccccc2Cl)C1 ZINC001305617717 1068899917 /nfs/dbraw/zinc/89/99/17/1068899917.db2.gz MPTWMPYOOHXLLC-BBTUJRGHSA-N 0 3 496.077 3.142 20 0 JGADHN CC[C@@H](C)N(C)CCn1c(Cn2ccc3ccccc32)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 ZINC001305618418 1068901425 /nfs/dbraw/zinc/90/14/25/1068901425.db2.gz FRELMMQVSGAXDC-CTNGQTDRSA-N 0 3 472.659 3.025 20 0 JGADHN CC[C@@H](C)N(C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001305619246 1068902612 /nfs/dbraw/zinc/90/26/12/1068902612.db2.gz FWTLBJSYXKBXBX-PLACYPQZSA-N 0 3 483.723 3.331 20 0 JGADHN CC[C@H](C)N(C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC001305623506 1068914230 /nfs/dbraw/zinc/91/42/30/1068914230.db2.gz VIIYBWPIKXDOMA-WKWVNEEDSA-N 0 3 471.712 3.185 20 0 JGADHN CC[C@H](C)NC(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001305630071 1068933832 /nfs/dbraw/zinc/93/38/32/1068933832.db2.gz WCRASYZYZUFPTA-RBUKOAKNSA-N 0 3 475.037 3.062 20 0 JGADHN CC[C@H](C)NC(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C2CCCC2)CC1 ZINC001305631837 1068938065 /nfs/dbraw/zinc/93/80/65/1068938065.db2.gz SBWBRWCVKBEVTE-IBGZPJMESA-N 0 3 454.619 3.323 20 0 JGADHN CC[C@@H](C)NC(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)N2CCc3ccccc3C2)CC1 ZINC001305643550 1068966383 /nfs/dbraw/zinc/96/63/83/1068966383.db2.gz LWCRRMPJSYLSEE-YADHBBJMSA-N 0 3 495.716 3.059 20 0 JGADHN CC[C@H](C)NC(=O)CCn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001305644694 1068970178 /nfs/dbraw/zinc/97/01/78/1068970178.db2.gz ZTYFFIAQDSZFEF-PWRODBHTSA-N 0 3 456.635 3.389 20 0 JGADHN CC[C@H](c1nnc(N(C)C[C@H]2CCN(C(C)=O)C2)n1CCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001305652713 1068991243 /nfs/dbraw/zinc/99/12/43/1068991243.db2.gz DZRSDRCNMQAVAI-NOZRDPDXSA-N 0 3 495.716 3.151 20 0 JGADHN CC[C@@H](c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1CCCN1CCOCC1)c1ccccc1 ZINC001305658711 1068998274 /nfs/dbraw/zinc/99/82/74/1068998274.db2.gz FXDKRHUWLZDPNE-WPFOTENUSA-N 0 3 454.663 3.461 20 0 JGADHN CC[C@@H](c1nnc(N2CC[C@@H](N3CCN(CC)CC3)C2)n1C[C@@H](F)COC)c1ccccc1 ZINC001305668199 1069011393 /nfs/dbraw/zinc/01/13/93/1069011393.db2.gz UOHSOLQEQBVNPW-DNVJHFABSA-N 0 3 458.626 3.021 20 0 JGADHN CC[C@@H](c1nnc(N2CCN(C(=O)C(C)C)CC2)n1CCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001305672141 1069020094 /nfs/dbraw/zinc/02/00/94/1069020094.db2.gz KKZSWNTWSKMYTA-XMMPIXPASA-N 0 3 495.716 3.151 20 0 JGADHN CC[C@H](c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1[C@@H]1C[C@H]1CF)c1ccccc1 ZINC001305673696 1069023965 /nfs/dbraw/zinc/02/39/65/1069023965.db2.gz SXIWNKZAEDOGFB-FDFHNCONSA-N 0 3 456.610 3.341 20 0 JGADHN CC[C@@H](c1nnc(N2CCN(CC(C)C)C(=O)C2)n1CCN1CC=CCC1)c1ccccc1 ZINC001305679577 1069037561 /nfs/dbraw/zinc/03/75/61/1069037561.db2.gz YKTOCNBVPKWXHP-HSZRJFAPSA-N 0 3 450.631 3.387 20 0 JGADHN CC[C@H](c1nnc(N2CCS(=O)(=O)CC2)n1C[C@H](C)CN1CCCCC1)c1ccccc1 ZINC001305679923 1069039135 /nfs/dbraw/zinc/03/91/35/1069039135.db2.gz DMXVODJGFIGFRU-IRLDBZIGSA-N 0 3 459.660 3.177 20 0 JGADHN CCC(CC)(Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C2CCOCC2)CC1)OC ZINC001305688479 1069051837 /nfs/dbraw/zinc/05/18/37/1069051837.db2.gz XLNGTJVUVFQEBW-UHFFFAOYSA-N 0 3 457.619 3.460 20 0 JGADHN CCC(CC)(Cn1c(-c2cnn(C)c2)nnc1N1CCC(CN2CCOCC2)CC1)SC ZINC001305690217 1069055943 /nfs/dbraw/zinc/05/59/43/1069055943.db2.gz GVBIZBLVRBTUNN-UHFFFAOYSA-N 0 3 461.680 3.149 20 0 JGADHN CCC(CC)(Cn1c(C2CCC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1)OC ZINC001305692632 1069061311 /nfs/dbraw/zinc/06/13/11/1069061311.db2.gz IPQURZFGIWDSTR-KNQAVFIVSA-N 0 3 460.667 3.130 20 0 JGADHN CCC(CC)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCO[C@H](C)C1)N(C)C ZINC001305702292 1069084765 /nfs/dbraw/zinc/08/47/65/1069084765.db2.gz AWCFMRNFCQCMIZ-XMSQKQJNSA-N 0 3 477.675 3.330 20 0 JGADHN CCC(CC)[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@](C)(C(=O)NC)C1)N1CCOCC1 ZINC001305705702 1069093880 /nfs/dbraw/zinc/09/38/80/1069093880.db2.gz QYWLWURYXLCAPF-HOFKKMOUSA-N 0 3 498.672 3.053 20 0 JGADHN CCC(CC)[C@@H](Cn1c(-c2ccccc2)nnc1N1CCC(CNC(C)=O)CC1)N1CCOCC1 ZINC001305710320 1069107209 /nfs/dbraw/zinc/10/72/09/1069107209.db2.gz UOKAKKNIOMQUEO-RUZDIDTESA-N 0 3 482.673 3.435 20 0 JGADHN CCC(CC)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)N(C)C ZINC001305711540 1069110633 /nfs/dbraw/zinc/11/06/33/1069110633.db2.gz OPZIMPYCLNZOIS-RBBKRZOGSA-N 0 3 476.691 3.418 20 0 JGADHN CCC(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC)[C@@H](C)C1)N1CCOCC1 ZINC001305715628 1069121183 /nfs/dbraw/zinc/12/11/83/1069121183.db2.gz NGGKDAQJIZIHKH-PMVMPFDFSA-N 0 3 462.683 3.187 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@]3(CCOC3)OC(C)(C)C2)n1C[C@H]1N(C)CCCC1(C)C ZINC001305736049 1069157805 /nfs/dbraw/zinc/15/78/05/1069157805.db2.gz MOARKQQNWCLWJM-IBVKSMDESA-N 0 3 490.693 3.091 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)N(CC)C[C@H]2C)n1CCc1ccc2c[nH]nc2c1 ZINC001305738100 1069162866 /nfs/dbraw/zinc/16/28/66/1069162866.db2.gz LCUCGOKOTLYKNV-QZTJIDSGSA-N 0 3 466.634 3.234 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC001305741534 1069174282 /nfs/dbraw/zinc/17/42/82/1069174282.db2.gz STXVOQOHZVKSQB-PWRODBHTSA-N 0 3 495.672 3.169 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1Cc1ccc(OC)c(F)c1 ZINC001305742622 1069177445 /nfs/dbraw/zinc/17/74/45/1069177445.db2.gz WDZIACDHDARORI-IRXDYDNUSA-N 0 3 460.598 3.311 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C3CCOCC3)C2)n1CCN1CCC(C)CC1 ZINC001305749923 1069194868 /nfs/dbraw/zinc/19/48/68/1069194868.db2.gz CNMBZHJNZGEIMA-OAQYLSRUSA-N 0 3 460.667 3.181 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC(Cn3cc(C)cn3)CC2)n1CCN1CCC[C@@H](C)C1 ZINC001305751716 1069198150 /nfs/dbraw/zinc/19/81/50/1069198150.db2.gz CFPMYGFGLIVYNN-HXUWFJFHSA-N 0 3 484.693 3.350 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC([C@H]3CCOC3)CC2)n1C[C@H]1CCCCN1CC ZINC001305752230 1069199310 /nfs/dbraw/zinc/19/93/10/1069199310.db2.gz OELOELSERSXNRE-RBBKRZOGSA-N 0 3 460.667 3.324 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC(Cn3cccn3)CC2)n1C[C@@H]1N(C)CCCC1(C)C ZINC001305756241 1069210195 /nfs/dbraw/zinc/21/01/95/1069210195.db2.gz SQMYFGQWRXZFRI-QFIPXVFZSA-N 0 3 484.693 3.430 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CC[C@](O)(c3cccc(F)c3)C2)n1CCN1CCC[C@@H](C)C1 ZINC001305758979 1069219589 /nfs/dbraw/zinc/21/95/89/1069219589.db2.gz NHRVWRAFZUVZMW-NIYFSFCBSA-N 0 3 486.636 3.165 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CC[C@]3(C2)CCCOC3)n1C[C@H](C)N1CCC(C)CC1 ZINC001305759219 1069220430 /nfs/dbraw/zinc/22/04/30/1069220430.db2.gz CAJIGISCBLFNSI-CPJSRVTESA-N 0 3 460.667 3.324 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCc3cc(C)ccc32)n1CCCN1CCN(CC)CC1 ZINC001305760536 1069225149 /nfs/dbraw/zinc/22/51/49/1069225149.db2.gz AKLRHAYGWAKPGG-UHFFFAOYSA-N 0 3 467.662 3.227 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2cnn(C)c2)n1CCN1CCC[C@@H](C)C1 ZINC001305776306 1069259800 /nfs/dbraw/zinc/25/98/00/1069259800.db2.gz SVDAEOMZGRPHOX-NQIIRXRSSA-N 0 3 456.639 3.003 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@]1(C)CCO[C@H]1C1CC1 ZINC001305779070 1069268082 /nfs/dbraw/zinc/26/80/82/1069268082.db2.gz KDMUZVGMEGRQFA-NBGIEHNGSA-N 0 3 460.667 3.322 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccc(C[S@@](C)=O)cc1 ZINC001305781250 1069272538 /nfs/dbraw/zinc/27/25/38/1069272538.db2.gz ZXWIXIKHUJQUTB-UUWRZZSWSA-N 0 3 488.702 3.044 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(c3ccccc3OC)CC2)n1CCN1CCC(C)CC1 ZINC001305783977 1069279277 /nfs/dbraw/zinc/27/92/77/1069279277.db2.gz PTPQAHHUSSWHQH-UHFFFAOYSA-N 0 3 497.688 3.264 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1C[C@H]1CCCC1(C)C ZINC001305785013 1069283573 /nfs/dbraw/zinc/28/35/73/1069283573.db2.gz DUJZWCMPTGGNLF-LJQANCHMSA-N 0 3 460.667 3.324 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(CC(C)C)CC2)n1CCN1c2ccccc2C[C@@H]1C ZINC001305785164 1069284696 /nfs/dbraw/zinc/28/46/96/1069284696.db2.gz ASAIUFDNRZGHIK-NRFANRHFSA-N 0 3 481.689 3.426 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(CC(C)C)CC2)n1C[C@](C)(O)c1cc(C)oc1C ZINC001305785378 1069285876 /nfs/dbraw/zinc/28/58/76/1069285876.db2.gz FOSAQJLJZONGJF-VWLOTQADSA-N 0 3 474.650 3.092 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCCC3)CC2)n1Cc1ccccc1OC ZINC001305786359 1069290266 /nfs/dbraw/zinc/29/02/66/1069290266.db2.gz VPGBUXXPBVWYMA-UHFFFAOYSA-N 0 3 454.619 3.318 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1Cc1ccc(C)cc1C ZINC001305788218 1069296384 /nfs/dbraw/zinc/29/63/84/1069296384.db2.gz TYXYLNSKYLMWOV-NRFANRHFSA-N 0 3 468.646 3.020 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1C[C@@H](C)c1ccccc1 ZINC001305788995 1069298800 /nfs/dbraw/zinc/29/88/00/1069298800.db2.gz YYUKYAOWBKSLLK-NHCUHLMSSA-N 0 3 468.646 3.159 20 0 JGADHN CN(C)CCN1C(=O)c2cccc3cc(NC(=S)NCc4ccc5c(c4)OCO5)cc(c32)C1=O ZINC000028712279 563076858 /nfs/dbraw/zinc/07/68/58/563076858.db2.gz QRTVIFZCQAXQDT-UHFFFAOYSA-N 0 3 476.558 3.213 20 0 JGADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cc(C(=O)OC)cc(Cl)n3)CC2)CC1 ZINC001164617486 719028189 /nfs/dbraw/zinc/02/81/89/719028189.db2.gz MNVZDLRLZUVTHZ-UHFFFAOYSA-N 0 3 459.921 3.310 20 0 JGADHN CCOC(=O)c1c[nH]c2ncnc(N3CCC4(CC3)COCCN4Cc3ccc(F)cc3)c12 ZINC001164673002 719500003 /nfs/dbraw/zinc/50/00/03/719500003.db2.gz LZNODKYUTVMSGQ-UHFFFAOYSA-N 0 3 453.518 3.145 20 0 JGADHN CC(C)n1nc(CN(c2nccs2)c2nc(Cl)nc3c2CN(C)CC3)c2c1CNCC2 ZINC001164712986 720091696 /nfs/dbraw/zinc/09/16/96/720091696.db2.gz ZNOCZPXTGRAZCR-UHFFFAOYSA-N 0 3 459.023 3.336 20 0 JGADHN COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ccc(S(=O)(=O)[N-]c3cc(F)ccc3F)cn1)C2 ZINC001164813748 720182211 /nfs/dbraw/zinc/18/22/11/720182211.db2.gz DWOWUVPJFXWXPE-UUOWRZLLSA-N 0 3 492.592 3.345 20 0 JGADHN COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(S(=O)(=O)[N-]c3cc(F)ccc3F)cn1)C2 ZINC001164813748 720182216 /nfs/dbraw/zinc/18/22/16/720182216.db2.gz DWOWUVPJFXWXPE-UUOWRZLLSA-N 0 3 492.592 3.345 20 0 JGADHN COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(S(=O)(=O)[N-]c3cc(F)ccc3F)cn1)C2 ZINC001164813747 720182382 /nfs/dbraw/zinc/18/23/82/720182382.db2.gz DWOWUVPJFXWXPE-MHECFPHRSA-N 0 3 492.592 3.345 20 0 JGADHN COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(S(=O)(=O)[N-]c3cc(F)ccc3F)cn1)C2 ZINC001164813747 720182390 /nfs/dbraw/zinc/18/23/90/720182390.db2.gz DWOWUVPJFXWXPE-MHECFPHRSA-N 0 3 492.592 3.345 20 0 JGADHN Cc1cc2c(ncnc2N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)n1S(=O)(=O)c1ccccc1 ZINC001164722594 720353393 /nfs/dbraw/zinc/35/33/93/720353393.db2.gz FMLJACSPBMHTSG-GOTSBHOMSA-N 0 3 474.590 3.225 20 0 JGADHN CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)c1CN1CC[C@H](CO)C1 ZINC001164729289 720416577 /nfs/dbraw/zinc/41/65/77/720416577.db2.gz GQPCXUIEVLGNNV-GPUOULLFSA-N 0 3 492.668 3.129 20 0 JGADHN c1cncc(-c2nc3sc4c(c3c(N3CCN5C[C@@H](Oc6cncnc6)C[C@@H]5C3)n2)CCC4)c1 ZINC001164739323 720764841 /nfs/dbraw/zinc/76/48/41/720764841.db2.gz IHLSNXRTBYWONA-MSOLQXFVSA-N 0 3 471.590 3.374 20 0 JGADHN O=C(Nc1cccc(Cl)c1)c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164741057 720764925 /nfs/dbraw/zinc/76/49/25/720764925.db2.gz LYNHOGSCMXHTOB-VQTJNVASSA-N 0 3 450.930 3.119 20 0 JGADHN CS(=O)(=O)c1ccc(Cl)nc1N1CC[C@@]2(CN(CC3CC3)C[C@H]2COCc2cccnc2)C1 ZINC001164749658 720906289 /nfs/dbraw/zinc/90/62/89/720906289.db2.gz IINUOTBVKPKVCQ-GBXCKJPGSA-N 0 3 491.057 3.289 20 0 JGADHN CCOC(=O)c1sc2ncnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1C ZINC001164866085 721044186 /nfs/dbraw/zinc/04/41/86/721044186.db2.gz CNFLHMSIYKROFA-MSOLQXFVSA-N 0 3 453.568 3.051 20 0 JGADHN O=C(c1cc(Cl)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1)N1CCCCC1 ZINC001164867773 721062251 /nfs/dbraw/zinc/06/22/51/721062251.db2.gz KILKPOOYEGGKSL-SFTDATJTSA-N 0 3 455.990 3.236 20 0 JGADHN COc1cc2nc(Cl)nc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2cc1OC ZINC001164867975 721073968 /nfs/dbraw/zinc/07/39/68/721073968.db2.gz LOAMFIDFCFDLFB-IAGOWNOFSA-N 0 3 455.946 3.175 20 0 JGADHN CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866413 721082486 /nfs/dbraw/zinc/08/24/86/721082486.db2.gz TZWNZQDOWWZURN-MSOLQXFVSA-N 0 3 467.957 3.335 20 0 JGADHN Clc1nc2c(ncn2[C@@H]2CCCCO2)c(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164864550 721085688 /nfs/dbraw/zinc/08/56/88/721085688.db2.gz GFGAWRQMTCISEB-OTWHNJEPSA-N 0 3 469.977 3.054 20 0 JGADHN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)nc5c4CN(Cc4ccccc4)CC5)C[C@@H]3C2)cn1 ZINC001164761094 721089383 /nfs/dbraw/zinc/08/93/83/721089383.db2.gz AXGYMSNWCGBRRZ-VXKWHMMOSA-N 0 3 478.044 3.380 20 0 JGADHN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)nc5c4ncn5Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001164773634 721100383 /nfs/dbraw/zinc/10/03/83/721100383.db2.gz XWZBEMDHUVKGJT-PMACEKPBSA-N 0 3 462.989 3.220 20 0 JGADHN O=C(c1cccnc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1)N1CCc2ccccc21 ZINC001164872227 721140663 /nfs/dbraw/zinc/14/06/63/721140663.db2.gz GZLHBPBNPNXCJC-XZOQPEGZSA-N 0 3 455.562 3.159 20 0 JGADHN CCOC(=O)c1sc2nc(C)nc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)c2c1C ZINC001164773365 721194761 /nfs/dbraw/zinc/19/47/61/721194761.db2.gz WPVSESIEEGEPIL-ZWKOTPCHSA-N 0 3 454.600 3.177 20 0 JGADHN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc5c(n4)CCN(Cc4ccccc4)C5)C3)O2)CC1 ZINC001164883585 721400289 /nfs/dbraw/zinc/40/02/89/721400289.db2.gz BAJHZCGMGBUQQO-WNJJXGMVSA-N 0 3 475.681 3.405 20 0 JGADHN Fc1cccc(O[C@H]2C[C@@H]3CN(c4nccc(-c5cnc(N6CCCCC6)nc5)n4)CCN3C2)c1 ZINC001164911422 721541283 /nfs/dbraw/zinc/54/12/83/721541283.db2.gz WRWDKRCVVRBTEK-GGAORHGYSA-N 0 3 475.572 3.405 20 0 JGADHN CC1(C)NC(=O)N(Cc2ccc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)nc2)C1=O ZINC001164912202 721727504 /nfs/dbraw/zinc/72/75/04/721727504.db2.gz MQQQNWBBONRRPE-XMMPIXPASA-N 0 3 484.551 3.045 20 0 JGADHN COC[C@@]12COC[C@@H]1CN(c1c3c(cnc1Cl)C1(CCN(Cc4ccccc4)CC1)OC3=O)C2 ZINC001164954921 721993957 /nfs/dbraw/zinc/99/39/57/721993957.db2.gz XWDSMODRYCQJJE-DFBJGRDBSA-N 0 3 483.996 3.496 20 0 JGADHN COC[C@]12COC[C@@H]1CN(c1c3c(cnc1Cl)C1(CCN(Cc4ccccc4)CC1)OC3=O)C2 ZINC001164954923 721994282 /nfs/dbraw/zinc/99/42/82/721994282.db2.gz XWDSMODRYCQJJE-UQBPGWFLSA-N 0 3 483.996 3.496 20 0 JGADHN O=C(NCc1ccccc1)c1cccnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980057 722103444 /nfs/dbraw/zinc/10/34/44/722103444.db2.gz JEBUEKLLJJGRKV-ILBGXUMGSA-N 0 3 457.578 3.134 20 0 JGADHN c1ccc(CN2CCc3ncnc(N4CC[C@H]5CN(Cc6cccnc6)CCO[C@H]5C4)c3C2)cc1 ZINC001164985249 722104421 /nfs/dbraw/zinc/10/44/21/722104421.db2.gz VRWOWWOSZXOAIH-IGKIAQTJSA-N 0 3 470.621 3.157 20 0 JGADHN c1ccc(CN2CCc3ncnc(N4CC[C@@H]5CN(Cc6cccnc6)CCO[C@@H]5C4)c3C2)cc1 ZINC001164985253 722104626 /nfs/dbraw/zinc/10/46/26/722104626.db2.gz VRWOWWOSZXOAIH-SHQCIBLASA-N 0 3 470.621 3.157 20 0 JGADHN CC[C@@H]1C(=O)Nc2cnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc2N1C1CCCC1 ZINC001164973333 722117321 /nfs/dbraw/zinc/11/73/21/722117321.db2.gz HAIWXTVXSGHCOL-TUACAJSNSA-N 0 3 491.640 3.079 20 0 JGADHN COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164978392 722119227 /nfs/dbraw/zinc/11/92/27/722119227.db2.gz ONIZIOFMVHXTIR-RXVVDRJESA-N 0 3 467.957 3.192 20 0 JGADHN COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164974373 722133458 /nfs/dbraw/zinc/13/34/58/722133458.db2.gz DKQLYIHFHJBONO-NZQKXSOJSA-N 0 3 497.640 3.480 20 0 JGADHN FC(F)(c1cnc2c(Cl)ncnc2c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164984216 722135427 /nfs/dbraw/zinc/13/54/27/722135427.db2.gz WMFYOQBAWSHPRY-LPHOPBHVSA-N 0 3 460.916 3.345 20 0 JGADHN COC(=O)c1cnc(Cl)c(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164983800 722136295 /nfs/dbraw/zinc/13/62/95/722136295.db2.gz UZOJCZKXMWFJDM-LPHOPBHVSA-N 0 3 466.916 3.189 20 0 JGADHN COC(=O)C[C@H](c1ccnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1)C1CC1 ZINC001164976990 722137801 /nfs/dbraw/zinc/13/78/01/722137801.db2.gz HMTABNCLNUXICZ-HJOGWXRNSA-N 0 3 450.583 3.261 20 0 JGADHN O=C(c1cccnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1)N1CCc2ccccc21 ZINC001164978080 722139973 /nfs/dbraw/zinc/13/99/73/722139973.db2.gz JOVVSQOXFCFODX-ZEQKJWHPSA-N 0 3 469.589 3.407 20 0 JGADHN COC(=O)c1nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c2ccccc2c1OC ZINC001164976003 722148687 /nfs/dbraw/zinc/14/86/87/722148687.db2.gz GFSMCYXVHUAWQX-DENIHFKCSA-N 0 3 462.550 3.152 20 0 JGADHN O=C(Nc1cccnc1Cl)OCC(F)(F)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972454 722153620 /nfs/dbraw/zinc/15/36/20/722153620.db2.gz HVPGDTJXFDXWOA-IEBWSBKVSA-N 0 3 481.931 3.494 20 0 JGADHN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCc3ncnc(N4CCN(C)CC4)c3CC2)n1 ZINC001165002187 722237599 /nfs/dbraw/zinc/23/75/99/722237599.db2.gz QJDKGJPAJKDQCR-UHFFFAOYSA-N 0 3 494.713 3.297 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3ccccc3)C2)n1C[C@@H]1CCCN1CC ZINC001305794459 1069312430 /nfs/dbraw/zinc/31/24/30/1069312430.db2.gz KMEXHQLQBKHISQ-VXKWHMMOSA-N 0 3 454.619 3.259 20 0 JGADHN CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC2CCOCC2)CC1)c1ccccc1 ZINC001305805144 1069331532 /nfs/dbraw/zinc/33/15/32/1069331532.db2.gz XDVFYSLIPNZZGY-JOCHJYFZSA-N 0 3 468.646 3.159 20 0 JGADHN CC[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C[C@H]2CCOC2)CC1)OC ZINC001305808215 1069337212 /nfs/dbraw/zinc/33/72/12/1069337212.db2.gz JHUHUUNZHPATHD-XUVXKRRUSA-N 0 3 461.582 3.141 20 0 JGADHN CC[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C2CCOCC2)CC1)OC ZINC001305808484 1069337784 /nfs/dbraw/zinc/33/77/84/1069337784.db2.gz FSWRSSZUTCULSL-IBGZPJMESA-N 0 3 465.545 3.273 20 0 JGADHN CC[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N(CC)CCS(C)(=O)=O)N1CCCC1 ZINC001305815810 1069348753 /nfs/dbraw/zinc/34/87/53/1069348753.db2.gz PBMDOISHSFQMCE-LJQANCHMSA-N 0 3 454.040 3.344 20 0 JGADHN CC[C@@H](Cn1c(-c2ccccc2Cl)nnc1N(CC)[C@H]1CCS(=O)(=O)C1)N1CCCC1 ZINC001305820336 1069356101 /nfs/dbraw/zinc/35/61/01/1069356101.db2.gz CFGHMIXBHJBKEN-ROUUACIJSA-N 0 3 466.051 3.486 20 0 JGADHN CC[C@@H](Cn1c(CC(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1)c1ccccc1 ZINC001305839472 1069385309 /nfs/dbraw/zinc/38/53/09/1069385309.db2.gz XQLXYPRWAOYGFP-QFIPXVFZSA-N 0 3 452.647 3.415 20 0 JGADHN CC[C@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CCCC2)CC1)OC ZINC001305838987 1069384444 /nfs/dbraw/zinc/38/44/44/1069384444.db2.gz SSXGGYQZXYAMFN-RTWAWAEBSA-N 0 3 492.665 3.076 20 0 JGADHN CC[C@@H](Cn1c(N2CCC(CN3CCOCC3)CC2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001305848373 1069399323 /nfs/dbraw/zinc/39/93/23/1069399323.db2.gz AEOZJZGYODVOMS-FQEVSTJZSA-N 0 3 478.682 3.428 20 0 JGADHN CCc1ccc([C@@H](Cn2c(CN3CCCC3=O)nnc2N(C)C[C@H]2CCCOC2)N(C)C)cc1 ZINC001305915299 1069469856 /nfs/dbraw/zinc/46/98/56/1069469856.db2.gz AKWGVOABPSNSEX-FYYLOGMGSA-N 0 3 468.646 3.129 20 0 JGADHN CCc1ccc([C@H](Cn2c(N3CC(C)(OC)C3)nnc2[C@@]2(OC(C)C)CCOC2)N(C)C)cc1 ZINC001305918064 1069472567 /nfs/dbraw/zinc/47/25/67/1069472567.db2.gz CNHOSUJHMSKQAE-BKMJKUGQSA-N 0 3 471.646 3.409 20 0 JGADHN CCc1ccc([C@@H](Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](COC)C2)N(C)C)cc1 ZINC001305920490 1069475728 /nfs/dbraw/zinc/47/57/28/1069475728.db2.gz SFRRSTXHDZBVRR-XZOQPEGZSA-N 0 3 484.670 3.351 20 0 JGADHN CCc1ccc([C@H](Cn2c([C@H](C)CC)nnc2N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)N(C)C)cc1 ZINC001305918524 1069473621 /nfs/dbraw/zinc/47/36/21/1069473621.db2.gz SKVYQFJSYRDOPB-QIJUGHKUSA-N 0 3 493.660 3.189 20 0 JGADHN CCc1ccc([C@H](Cn2c(N3CCC(NS(=O)(=O)CC)CC3)nnc2C(C)(C)C)N(C)C)cc1 ZINC001305919200 1069474695 /nfs/dbraw/zinc/47/46/95/1069474695.db2.gz IRGRSFRSJOOQBH-QFIPXVFZSA-N 0 3 490.718 3.349 20 0 JGADHN CCc1ccc([C@@H](Cn2c(Cc3ccccn3)nnc2N2CC[C@](C)(C(=O)NC)C2)N(C)C)cc1 ZINC001305921080 1069476794 /nfs/dbraw/zinc/47/67/94/1069476794.db2.gz WFLARAQURUBJAV-KCWPFWIISA-N 0 3 475.641 3.092 20 0 JGADHN CCc1ccc([C@H](Cn2c([C@H]3CCCO3)nnc2N2C[C@@H](C)O[C@@H](COC)C2)N(C)C)cc1 ZINC001305921632 1069477456 /nfs/dbraw/zinc/47/74/56/1069477456.db2.gz VEHUZZGZNVMZMA-TWHAJKEOSA-N 0 3 457.619 3.235 20 0 JGADHN CN(CC(=O)NC(C)(C)C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCN1CC=CCC1 ZINC001298211671 1064128587 /nfs/dbraw/zinc/12/85/87/1064128587.db2.gz HZQPQVNXFNZLEZ-UHFFFAOYSA-N 0 3 463.586 3.213 20 0 JGADHN CN(CC(C)(C)C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CCc2ccccc2)C1 ZINC001298230117 1064138694 /nfs/dbraw/zinc/13/86/94/1064138694.db2.gz LJLRCTXDAMBFLX-FCHUYYIVSA-N 0 3 473.687 3.227 20 0 JGADHN CN(CC(F)(F)F)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCN(C)C(C)(C)C1 ZINC001298241246 1064147402 /nfs/dbraw/zinc/14/74/02/1064147402.db2.gz VRFBECGTYVBVJR-UHFFFAOYSA-N 0 3 478.361 3.060 20 0 JGADHN CN(Cc1ccc2c(c1)OCO2)c1nnc(CC(C)(C)C)n1CCN1CCN(C)C(C)(C)C1 ZINC001298324525 1064199544 /nfs/dbraw/zinc/19/95/44/1064199544.db2.gz RXANMIFVAUMJSW-UHFFFAOYSA-N 0 3 456.635 3.258 20 0 JGADHN CN(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1)C1CCCCC1 ZINC001298346395 1064212292 /nfs/dbraw/zinc/21/22/92/1064212292.db2.gz XEOCLFKMAUWMRK-FGZHOGPDSA-N 0 3 459.660 3.327 20 0 JGADHN CN(Cc1ccccc1F)c1nnc(Cc2ccncc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001298360645 1064219336 /nfs/dbraw/zinc/21/93/36/1064219336.db2.gz UWMFOPBVUANHLZ-UHFFFAOYSA-N 0 3 451.594 3.065 20 0 JGADHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccccc2OCC(=O)Nc2ccc(Br)cc2)C1 ZINC001298377118 1064225383 /nfs/dbraw/zinc/22/53/83/1064225383.db2.gz KBUABYYYVIUPIS-KXBFYZLASA-N 0 3 458.356 3.243 20 0 JGADHN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)cc1 ZINC001298379076 1064225922 /nfs/dbraw/zinc/22/59/22/1064225922.db2.gz YYJAVCASKDTOIE-QFIPXVFZSA-N 0 3 459.612 3.316 20 0 JGADHN O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC001298378806 1064225957 /nfs/dbraw/zinc/22/59/57/1064225957.db2.gz QAZBBFGHGHWTTK-ICSRJNTNSA-N 0 3 459.493 3.098 20 0 JGADHN COc1cc(I)ccc1C(=O)Nc1cccc(CN2CC[C@H](O)C2)c1 ZINC001298378422 1064225990 /nfs/dbraw/zinc/22/59/90/1064225990.db2.gz IWPIFFIOTWOHLO-INIZCTEOSA-N 0 3 452.292 3.119 20 0 JGADHN O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC001298378807 1064226172 /nfs/dbraw/zinc/22/61/72/1064226172.db2.gz QAZBBFGHGHWTTK-QUCCMNQESA-N 0 3 459.493 3.098 20 0 JGADHN CSc1ccc([C@H](CNC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)N(C)C)cc1 ZINC001298403563 1064237331 /nfs/dbraw/zinc/23/73/31/1064237331.db2.gz IOPMAJUCGPVDQS-SFHVURJKSA-N 0 3 456.033 3.345 20 0 JGADHN CN(Cc1cnccn1)c1nnc(-c2cccc(Br)c2)n1CCN1CC=CCC1 ZINC001298406348 1064237710 /nfs/dbraw/zinc/23/77/10/1064237710.db2.gz CUXAVEQPSHSBEW-UHFFFAOYSA-N 0 3 454.376 3.396 20 0 JGADHN CN(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CCCC1)C1CCCCC1 ZINC001298527274 1064293434 /nfs/dbraw/zinc/29/34/34/1064293434.db2.gz KJVJHEKVFXCWOS-LEWJYISDSA-N 0 3 451.681 3.317 20 0 JGADHN CN(C[C@@H]1CCCCO1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)CN1CCCC1 ZINC001298536172 1064298453 /nfs/dbraw/zinc/29/84/53/1064298453.db2.gz JNJOAXJEXDADJQ-NRFANRHFSA-N 0 3 489.686 3.476 20 0 JGADHN CN(C[C@@H]1CCCCO1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCN(C)C(C)(C)C1 ZINC001298547935 1064310605 /nfs/dbraw/zinc/31/06/05/1064310605.db2.gz XOKMBVWQEOSMFD-BHDDXSALSA-N 0 3 476.710 3.228 20 0 JGADHN CN(C[C@H]1CCCOC1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN(C)C1CCCC1 ZINC001298553325 1064318912 /nfs/dbraw/zinc/31/89/12/1064318912.db2.gz AKLKGROCFNRTST-LJQANCHMSA-N 0 3 475.659 3.086 20 0 JGADHN CN(CCC(F)(F)F)c1nnc(-c2cnccn2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001298593918 1064368802 /nfs/dbraw/zinc/36/88/02/1064368802.db2.gz NPUQPFNICPOOQI-LJQANCHMSA-N 0 3 475.519 3.415 20 0 JGADHN CCC(CC)Nc1ccncc1NC(=O)c1cccc(NC(=O)CSc2nncn2C)c1 ZINC001298607095 1064378964 /nfs/dbraw/zinc/37/89/64/1064378964.db2.gz QEJQUOUZLOFMGJ-UHFFFAOYSA-N 0 3 453.572 3.216 20 0 JGADHN CN(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)CCC1CCOCC1)c1ccc(F)cc1 ZINC001298649796 1064425087 /nfs/dbraw/zinc/42/50/87/1064425087.db2.gz YGQDOJGOLRPUCR-JOCHJYFZSA-N 0 3 472.609 3.095 20 0 JGADHN CN(CCCn1c(-c2cccnc2)nnc1N1CCN(CC2CC2)CC1)C(=O)OC(C)(C)C ZINC001298669169 1064449224 /nfs/dbraw/zinc/44/92/24/1064449224.db2.gz ABCRDYBESXELIM-UHFFFAOYSA-N 0 3 455.607 3.129 20 0 JGADHN CN(CCCn1c(CC2CCCC2)nnc1N1CCN(CC2CCOCC2)CC1)CC(F)(F)F ZINC001298676699 1064465564 /nfs/dbraw/zinc/46/55/64/1064465564.db2.gz WXRYCPLSTIQIOF-UHFFFAOYSA-N 0 3 486.627 3.444 20 0 JGADHN CN(C)C1(Cn2c(-c3ccc(Br)cc3)nnc2N(C)CCCS(C)(=O)=O)CCC1 ZINC001298690588 1064488383 /nfs/dbraw/zinc/48/83/83/1064488383.db2.gz LYRXYWJZAPXFBC-UHFFFAOYSA-N 0 3 484.464 3.063 20 0 JGADHN CN(CCn1c(-c2cccn2C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)Cc1ccc(F)cc1 ZINC001298705296 1064509474 /nfs/dbraw/zinc/50/94/74/1064509474.db2.gz UESNRMMRZLZNNJ-UHFFFAOYSA-N 0 3 496.635 3.185 20 0 JGADHN CN(CCn1c(C2CCC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)Cc1ccccc1 ZINC001298708289 1064514644 /nfs/dbraw/zinc/51/46/44/1064514644.db2.gz KKYLZQYYMWFHEL-UHFFFAOYSA-N 0 3 453.635 3.308 20 0 JGADHN CN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(F)(F)F)C1)C1CCCCC1 ZINC001298714214 1064523398 /nfs/dbraw/zinc/52/33/98/1064523398.db2.gz LGKTWWGWQGRBLJ-IAGOWNOFSA-N 0 3 477.597 3.223 20 0 JGADHN CN(CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2NC(=O)CC2(C)C)CC1)Cc1ccccc1 ZINC001298728087 1064539051 /nfs/dbraw/zinc/53/90/51/1064539051.db2.gz MHQJUGHZXHZUSD-QHCPKHFHSA-N 0 3 495.716 3.035 20 0 JGADHN CN(CCN1CCN(c2nnc(-c3ccc[nH]3)n2CC[S@@](=O)C(C)(C)C)CC1)Cc1ccccc1 ZINC001298728398 1064541074 /nfs/dbraw/zinc/54/10/74/1064541074.db2.gz SBANWHGWVVBBSY-PGUFJCEWSA-N 0 3 497.713 3.074 20 0 JGADHN O=C(N[C@@H](CO)CN1CCCC1)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001298750665 1064561671 /nfs/dbraw/zinc/56/16/71/1064561671.db2.gz BALAXIBPFKLCBP-OAHLLOKOSA-N 0 3 454.752 3.476 20 0 JGADHN O=C(N[C@H](CO)CN1CCCC1)c1cccnc1SCc1ccc(Br)cc1 ZINC001298752224 1064562356 /nfs/dbraw/zinc/56/23/56/1064562356.db2.gz TXQORBVGIURTRE-KRWDZBQOSA-N 0 3 450.402 3.323 20 0 JGADHN CN(CCOc1cccc(Cl)c1)c1nnc(Cc2cccnc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001298761975 1064571842 /nfs/dbraw/zinc/57/18/42/1064571842.db2.gz ZATLXXSXVCPAAL-UHFFFAOYSA-N 0 3 498.075 3.459 20 0 JGADHN Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N[C@H](C)CN(C)Cc1ccccc1 ZINC001298763740 1064572246 /nfs/dbraw/zinc/57/22/46/1064572246.db2.gz MGMNUIZSPNHUOM-LJQANCHMSA-N 0 3 455.580 3.317 20 0 JGADHN CN(CCS(C)(=O)=O)c1nnc(-c2cn(C)c3ccccc23)n1CC(C)(C)N1CCCCC1 ZINC001298776410 1064582618 /nfs/dbraw/zinc/58/26/18/1064582618.db2.gz NBQDAXQXIUOMRC-UHFFFAOYSA-N 0 3 472.659 3.182 20 0 JGADHN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N(C)CCCN(C)Cc2ccncc2)cc1 ZINC001298845305 1064649315 /nfs/dbraw/zinc/64/93/15/1064649315.db2.gz AOLAZVSPOLGCKI-FQEVSTJZSA-N 0 3 458.628 3.239 20 0 JGADHN CN(CCCN(C)C(=O)[C@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2)Cc1ccncc1 ZINC001298846881 1064650414 /nfs/dbraw/zinc/65/04/14/1064650414.db2.gz QFZCILFBLYWYMN-ZEQKJWHPSA-N 0 3 450.583 3.411 20 0 JGADHN C[C@H]1[C@H](NC(=O)CN(C)C(=O)c2ccc(Br)s2)CCN1Cc1ccccc1 ZINC001298885979 1064692896 /nfs/dbraw/zinc/69/28/96/1064692896.db2.gz HQRVTAGCLTWCGG-GOEBONIOSA-N 0 3 450.402 3.362 20 0 JGADHN CN1CCCC(C)(C)[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001298886369 1064694182 /nfs/dbraw/zinc/69/41/82/1064694182.db2.gz GCWZHOXUITZVFK-IRXDYDNUSA-N 0 3 457.541 3.250 20 0 JGADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CCCOC2CCCCC2)CC1 ZINC001298889999 1064699539 /nfs/dbraw/zinc/69/95/39/1064699539.db2.gz YDEXWBNCTPYGKK-NRFANRHFSA-N 0 3 460.667 3.058 20 0 JGADHN CN1CCN(CCn2c(CCc3ccccc3)nnc2N2CC(C)(C)OC(C)(C)C2)CC1(C)C ZINC001298896245 1064703008 /nfs/dbraw/zinc/70/30/08/1064703008.db2.gz GSMZLGVGZDXNEX-UHFFFAOYSA-N 0 3 468.690 3.483 20 0 JGADHN CN1CCN(CCn2c([C@H]3CCCCO3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CC1(C)C ZINC001298896870 1064703683 /nfs/dbraw/zinc/70/36/83/1064703683.db2.gz IRLVABCDDHSPSY-QZTJIDSGSA-N 0 3 458.573 3.324 20 0 JGADHN CN1CCN(CCn2c([C@H]3CCCOC3)nnc2N2CCC(Cl)=C(Cl)C2)CC1(C)C ZINC001298898158 1064704804 /nfs/dbraw/zinc/70/48/04/1064704804.db2.gz SWGBTLMLGXLOON-INIZCTEOSA-N 0 3 457.450 3.097 20 0 JGADHN CNC(=O)C(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C2CCCC2)CC1 ZINC001298945203 1064738423 /nfs/dbraw/zinc/73/84/23/1064738423.db2.gz YINVXWMGHBTZMN-UHFFFAOYSA-N 0 3 468.646 3.311 20 0 JGADHN CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](c1ccccc1)N(C)C ZINC001299003602 1064783725 /nfs/dbraw/zinc/78/37/25/1064783725.db2.gz VPCNNJUZIRYBJB-ZHHKINOHSA-N 0 3 470.662 3.318 20 0 JGADHN CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](c2ccsc2)N(C)C)C1 ZINC001299011636 1064794907 /nfs/dbraw/zinc/79/49/07/1064794907.db2.gz BVTODYJPOVGMAV-YKSBVNFPSA-N 0 3 468.627 3.281 20 0 JGADHN CNC(=O)c1ccc(CN(C)c2nnc(CC3CCCC3)n2CCN2CCN(C)C(C)(C)C2)cc1 ZINC001299043935 1064836658 /nfs/dbraw/zinc/83/66/58/1064836658.db2.gz DLILIBBSYWRMRK-UHFFFAOYSA-N 0 3 481.689 3.033 20 0 JGADHN CNC(=O)c1cccc(CCn2c(Cc3csc(C)n3)nnc2N2CCN(C(C)(C)C)CC2)c1 ZINC001299053055 1064844198 /nfs/dbraw/zinc/84/41/98/1064844198.db2.gz LMLRNVASJWNRQN-UHFFFAOYSA-N 0 3 481.670 3.157 20 0 JGADHN CNC(=O)c1cccc(Cn2c([C@H](C)OCCOC)nnc2N2CCN(C3CCC(C)CC3)CC2)c1 ZINC001299053599 1064845671 /nfs/dbraw/zinc/84/56/71/1064845671.db2.gz OLPUVWJMOMSIFL-DQBMGFJSSA-N 0 3 498.672 3.111 20 0 JGADHN CNC(=O)c1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCN(CCC(C)(C)C)CC2)c1 ZINC001299057232 1064848293 /nfs/dbraw/zinc/84/82/93/1064848293.db2.gz GWGSDYKAOXAMTJ-JOCHJYFZSA-N 0 3 468.646 3.138 20 0 JGADHN CNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@H](c2ccccc2OC)N2CCCC2)CC1 ZINC001299100948 1064907488 /nfs/dbraw/zinc/90/74/88/1064907488.db2.gz XWQIAGRBSVCMOM-NRFANRHFSA-N 0 3 454.619 3.210 20 0 JGADHN CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](c2cccs2)N(C)C)C1 ZINC001299100997 1064907617 /nfs/dbraw/zinc/90/76/17/1064907617.db2.gz PXACTCKAPHKMKV-FPOVZHCZSA-N 0 3 482.654 3.492 20 0 JGADHN COC1(C)CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC001299774524 1064975385 /nfs/dbraw/zinc/97/53/85/1064975385.db2.gz FCTYUDRGDXXUEV-VXKWHMMOSA-N 0 3 498.672 3.203 20 0 JGADHN CO[C@@]1(C)CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001299775113 1064976173 /nfs/dbraw/zinc/97/61/73/1064976173.db2.gz VFZOOCJBCCGMLY-YPCDYVTLSA-N 0 3 476.710 3.228 20 0 JGADHN COc1cc(-c2nnc(N3CCN(CC(C)C)CC3)n2C[C@@]2(C)COCCO2)ccc1OC(C)C ZINC001299856862 1065065625 /nfs/dbraw/zinc/06/56/25/1065065625.db2.gz GTLGELCFVXEJTG-SANMLTNESA-N 0 3 487.645 3.324 20 0 JGADHN COc1cc(-c2nnc(N3CCN(CC(C)C)CC3)n2C[C@@](C)(O)c2ccco2)cc(OC)c1OC ZINC001299857752 1065068083 /nfs/dbraw/zinc/06/80/83/1065068083.db2.gz XHCWRVFVJAMGPS-AREMUKBSSA-N 0 3 499.612 3.250 20 0 JGADHN COc1cc(CN(C)c2nnc([C@H]3CCCCO3)n2CCN2CCN(C)C(C)(C)C2)cc(OC)c1 ZINC001299872203 1065091291 /nfs/dbraw/zinc/09/12/91/1065091291.db2.gz DYSGGEFVFGHEQC-HSZRJFAPSA-N 0 3 486.661 3.199 20 0 JGADHN COc1cc(Cl)ccc1-c1nnc(N2CCN(C3CCCC3)CC2)n1CC(=O)NC(C)C ZINC001299908833 1065154173 /nfs/dbraw/zinc/15/41/73/1065154173.db2.gz DNRWCDBYPGUCKZ-UHFFFAOYSA-N 0 3 461.010 3.196 20 0 JGADHN COc1cc(OC)cc(-c2nnc(N3CCN(C4CCCC4)CC3)n2C[C@@](C)(O)C(C)C)c1 ZINC001299949308 1065223251 /nfs/dbraw/zinc/22/32/51/1065223251.db2.gz BELMCYVJNKKIBN-RUZDIDTESA-N 0 3 457.619 3.434 20 0 JGADHN COc1cc(OC)cc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@]2(O)CCC[C@H]2C)c1 ZINC001299951944 1065230349 /nfs/dbraw/zinc/23/03/49/1065230349.db2.gz WYEGVJFPKCXZQT-CJAUYULYSA-N 0 3 457.619 3.434 20 0 JGADHN COc1cc(OC)cc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@]2(O)CCC[C@@H]2C)c1 ZINC001299951943 1065230417 /nfs/dbraw/zinc/23/04/17/1065230417.db2.gz WYEGVJFPKCXZQT-BVZFJXPGSA-N 0 3 457.619 3.434 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N(C)C3CCC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)cc1C ZINC001492235148 1065334979 /nfs/dbraw/zinc/33/49/79/1065334979.db2.gz KATVWTRSMIKFRR-JOCHJYFZSA-N 0 3 481.645 3.079 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCC[C@H](NC(=O)C(C)C)C3)n2CCN2CCC[C@H]2C)cc1C ZINC001492264092 1065356901 /nfs/dbraw/zinc/35/69/01/1065356901.db2.gz DPJNVACLQHPRBU-GGAORHGYSA-N 0 3 495.672 3.373 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCC[C@H]3C)n2CCCN2CCC[C@H]2C(=O)N(C)C)cc1C ZINC001492268912 1065364405 /nfs/dbraw/zinc/36/44/05/1065364405.db2.gz ZMIMTSGNZNJBJL-IRLDBZIGSA-N 0 3 481.645 3.079 20 0 JGADHN Cc1ccc(OCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCCC2)cc1 ZINC001492318042 1065394263 /nfs/dbraw/zinc/39/42/63/1065394263.db2.gz SNWSVMAJJZOHMR-FQEVSTJZSA-N 0 3 475.659 3.053 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCC(CN4CCOCC4)CC3)n2C[C@](C)(O)C(C)C)cc1 ZINC001492354138 1065418750 /nfs/dbraw/zinc/41/87/50/1065418750.db2.gz YJJMUIUFIGEQIE-SANMLTNESA-N 0 3 471.646 3.121 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(C(=O)[C@H]4CCCN4C)CC3)n2CCC(C)C)cc1C ZINC001492383326 1065447916 /nfs/dbraw/zinc/44/79/16/1065447916.db2.gz QUEWWFVYYHRTNM-HSZRJFAPSA-N 0 3 468.646 3.263 20 0 JGADHN Cc1ccc(OCCN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2N(C)CCCC2(C)C)cc1 ZINC001492418816 1065479556 /nfs/dbraw/zinc/47/95/56/1065479556.db2.gz NCEWFDNMJISMOP-QFIPXVFZSA-N 0 3 468.646 3.458 20 0 JGADHN Cc1ccc(OCCN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2cccs2)N(C)C)cc1 ZINC001492420542 1065481120 /nfs/dbraw/zinc/48/11/20/1065481120.db2.gz GSHNNOQSLAKZIE-UXHICEINSA-N 0 3 468.627 3.417 20 0 JGADHN Cc1ccc(S(=O)(=O)NCCn2c(C3CCCC3)nnc2N2CCN(CC(C)C)CC2)s1 ZINC001492437511 1065493729 /nfs/dbraw/zinc/49/37/29/1065493729.db2.gz BNBVIHGQQQVUDY-UHFFFAOYSA-N 0 3 480.704 3.062 20 0 JGADHN Cc1ccc(SCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CC(C)(C)CN(C)C)cc1 ZINC001492460360 1065508646 /nfs/dbraw/zinc/50/86/46/1065508646.db2.gz WBYSAZAELCQYPJ-IBGZPJMESA-N 0 3 465.689 3.090 20 0 JGADHN Cc1ccc(SCc2nnc(N3CCNC(=O)C3)n2C[C@H](c2cccs2)N(C)C)cc1 ZINC001492468077 1065515877 /nfs/dbraw/zinc/51/58/77/1065515877.db2.gz URUBLQMVXVNBMX-GOSISDBHSA-N 0 3 456.641 3.179 20 0 JGADHN Cc1ccc(SCCn2c(C(=O)NC(C)C)nnc2N2CCN(C3CCOCC3)C[C@@H]2C)cc1 ZINC001492469506 1065518594 /nfs/dbraw/zinc/51/85/94/1065518594.db2.gz MNYKJTRUJHGHOD-FQEVSTJZSA-N 0 3 486.686 3.207 20 0 JGADHN Cc1ccc(SCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CCCC3)CC2)cc1 ZINC001492469713 1065519096 /nfs/dbraw/zinc/51/90/96/1065519096.db2.gz SFBJSUQBTJKDPS-IBGZPJMESA-N 0 3 492.715 3.054 20 0 JGADHN CO[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCC[C@@H](C)C2)CC[C@H]1C ZINC001300800653 1065532620 /nfs/dbraw/zinc/53/26/20/1065532620.db2.gz UHJGZJBILJSKJS-WOIUINJBSA-N 0 3 489.064 3.455 20 0 JGADHN COCC(C)(C)CCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001300914188 1065714165 /nfs/dbraw/zinc/71/41/65/1065714165.db2.gz KHOVIEBAZGJYAT-HXUWFJFHSA-N 0 3 472.634 3.042 20 0 JGADHN COCC(C)(C)CCCn1c(C2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001300920387 1065719537 /nfs/dbraw/zinc/71/95/37/1065719537.db2.gz NQPPPRJPYDRADJ-OAQYLSRUSA-N 0 3 460.667 3.131 20 0 JGADHN COCC(C)(C)CCCn1c(N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)nnc1C(C)(C)C ZINC001300926382 1065724423 /nfs/dbraw/zinc/72/44/23/1065724423.db2.gz CJFMRCYNUMKADW-IFMALSPDSA-N 0 3 476.710 3.407 20 0 JGADHN COCC(C)(C)CCCn1c(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)nnc1C(C)(C)C ZINC001300926385 1065724512 /nfs/dbraw/zinc/72/45/12/1065724512.db2.gz CJFMRCYNUMKADW-UNMCSNQZSA-N 0 3 476.710 3.407 20 0 JGADHN C[C@@H]1CCN(C(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001300969001 1065777952 /nfs/dbraw/zinc/77/79/52/1065777952.db2.gz CGGOMVORQHRJHR-AEFFLSMTSA-N 0 3 459.591 3.069 20 0 JGADHN COC[C@@H](C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001300981950 1065793687 /nfs/dbraw/zinc/79/36/87/1065793687.db2.gz ZGHHSFFKAICBJY-FQEVSTJZSA-N 0 3 453.635 3.357 20 0 JGADHN COCC1(C)CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(N(C)C)CCCC2)CC1 ZINC001301089808 1065939561 /nfs/dbraw/zinc/93/95/61/1065939561.db2.gz BEXCKAKNXAWNBT-UHFFFAOYSA-N 0 3 489.686 3.476 20 0 JGADHN COCC1(C)CCN(c2nnc(-c3cnccn3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001301094341 1065941968 /nfs/dbraw/zinc/94/19/68/1065941968.db2.gz FBOCMKDBKKQPRG-NRFANRHFSA-N 0 3 453.566 3.430 20 0 JGADHN COCc1ccc(Cn2c(CC(C)C)nnc2N2CC[C@@H](N3CCN(C(C)C)CC3)C2)cc1 ZINC001301164327 1066000115 /nfs/dbraw/zinc/00/01/15/1066000115.db2.gz LVSHUPMHVTYTNE-XMMPIXPASA-N 0 3 454.663 3.276 20 0 JGADHN COCC1=CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001301199719 1066025686 /nfs/dbraw/zinc/02/56/86/1066025686.db2.gz RUFUMWPHHKVTRJ-UHFFFAOYSA-N 0 3 482.673 3.283 20 0 JGADHN COC[C@@H]1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](c2ccccc2)N(C)C)C1 ZINC001301260672 1066075463 /nfs/dbraw/zinc/07/54/63/1066075463.db2.gz DGMWRNSNLXIXIJ-WHSBFGAESA-N 0 3 471.646 3.484 20 0 JGADHN COCC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2CCCCC2)CC1 ZINC001301299852 1066107283 /nfs/dbraw/zinc/10/72/83/1066107283.db2.gz YQQRKTPUJZCRPP-UHFFFAOYSA-N 0 3 475.659 3.087 20 0 JGADHN COC[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2cccc(OC)c2)N(C)C)C1 ZINC001301329032 1066122030 /nfs/dbraw/zinc/12/20/30/1066122030.db2.gz OMZFCEVHHMAYKX-REWPJTCUSA-N 0 3 450.587 3.048 20 0 JGADHN CCCN1CC[C@@H](NC(=O)c2c(I)ccc(Br)c2F)C1 ZINC001301378450 1066171633 /nfs/dbraw/zinc/17/16/33/1066171633.db2.gz FXWCCLXJLUMDIG-SECBINFHSA-N 0 3 455.109 3.407 20 0 JGADHN COCCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@@H](c2ccccc2)N(C)C)CC1 ZINC001301950277 1066246308 /nfs/dbraw/zinc/24/63/08/1066246308.db2.gz KGSWFBAZMVKQOK-QHCPKHFHSA-N 0 3 468.646 3.218 20 0 JGADHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc3cccnc32)n1C[C@@H](C1CC1)N(C)C ZINC001301989024 1066306040 /nfs/dbraw/zinc/30/60/40/1066306040.db2.gz NRZHFCSREGZDFM-WWMYMODYSA-N 0 3 470.643 3.091 20 0 JGADHN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CC(C)(C)CN(C)C ZINC001301991267 1066311181 /nfs/dbraw/zinc/31/11/81/1066311181.db2.gz MRLXXDGSFZKMGV-ROUUACIJSA-N 0 3 474.675 3.282 20 0 JGADHN CN(C)CCn1c2cc(C(=O)N[C@](C)(C(=O)OC(C)(C)C)c3ccccc3)ccc2[nH]c1=O ZINC001301488634 1066311853 /nfs/dbraw/zinc/31/18/53/1066311853.db2.gz LQAUSPUXFWWRPW-VWLOTQADSA-N 0 3 452.555 3.290 20 0 JGADHN COCCO[C@H](C)c1nnc(N2C[C@H]3CCC[C@@H](C2)C3O)n1C[C@@H](c1ccc(C)cc1)N(C)C ZINC001301997868 1066327774 /nfs/dbraw/zinc/32/77/74/1066327774.db2.gz FIFAHBWAJURJPH-CXDZAULZSA-N 0 3 471.646 3.211 20 0 JGADHN COCC[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC001301502991 1066329085 /nfs/dbraw/zinc/32/90/85/1066329085.db2.gz JAEUKHUYVPFSPE-UNMCSNQZSA-N 0 3 477.613 3.400 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CC=CCC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001301999603 1066331703 /nfs/dbraw/zinc/33/17/03/1066331703.db2.gz HESRVTALTDNJRA-JTHBVZDNSA-N 0 3 455.603 3.060 20 0 JGADHN CCC1(N2CCOCC2)CCN(C(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)CC1 ZINC001302010276 1066353864 /nfs/dbraw/zinc/35/38/64/1066353864.db2.gz SAZWBMRTTIBCIM-UHFFFAOYSA-N 0 3 456.631 3.054 20 0 JGADHN COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3C[C@H]([NH+](C)C)C34CCC4)c2)cc1 ZINC001301549572 1066377625 /nfs/dbraw/zinc/37/76/25/1066377625.db2.gz VANKMIHDOAAKMZ-YADHBBJMSA-N 0 3 457.596 3.407 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCC(CN3CCOCC3)CC2)n1C[C@H]1CCSC1(C)C ZINC001302025235 1066383336 /nfs/dbraw/zinc/38/33/36/1066383336.db2.gz QFTKXROMTNFZPG-PZJWPPBQSA-N 0 3 481.707 3.082 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CC[C@@H]3OCCC[C@@H]3C2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001302049604 1066433825 /nfs/dbraw/zinc/43/38/25/1066433825.db2.gz XGWIYKAUDVHWLW-SQMBMXPBSA-N 0 3 475.609 3.449 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCC[C@H](C)C2)n1Cc1ccccc1CN1CCC(O)CC1 ZINC001302053195 1066443808 /nfs/dbraw/zinc/44/38/08/1066443808.db2.gz QZFQKCUBXBOZSS-SFTDATJTSA-N 0 3 471.646 3.243 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1C[C@H](c1cccs1)N(C)C ZINC001302070925 1066477517 /nfs/dbraw/zinc/47/75/17/1066477517.db2.gz FHDPHHAREACVNH-NMLBUPMWSA-N 0 3 463.648 3.372 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1cc(Cl)c2c(c1)OCCO2 ZINC001302079677 1066494414 /nfs/dbraw/zinc/49/44/14/1066494414.db2.gz LYKAKNZGIFEIFN-KRWDZBQOSA-N 0 3 494.036 3.396 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccc(-n2cccn2)cc1 ZINC001302080159 1066496095 /nfs/dbraw/zinc/49/60/95/1066496095.db2.gz OQXHNLBVTQVCFP-FQEVSTJZSA-N 0 3 467.618 3.157 20 0 JGADHN CC(=O)N(C)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 ZINC001301640328 1066504418 /nfs/dbraw/zinc/50/44/18/1066504418.db2.gz QJNFOWYKLPCSOK-XMMPIXPASA-N 0 3 479.604 3.153 20 0 JGADHN CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccn3C)n2C[C@@H](c2cccc(F)c2)N(C)C)C1 ZINC001301650948 1066517666 /nfs/dbraw/zinc/51/76/66/1066517666.db2.gz QXQZRZOVEUVFCF-XXBNENTESA-N 0 3 467.593 3.030 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1Cc1ccc(C)cc1F ZINC001302091180 1066518892 /nfs/dbraw/zinc/51/88/92/1066518892.db2.gz AKBQFYIFUOOGAY-PMACEKPBSA-N 0 3 475.609 3.187 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1C/C=C\c1ccccc1 ZINC001302094860 1066523884 /nfs/dbraw/zinc/52/38/84/1066523884.db2.gz SLVZIVSRPDYOEL-OFZKMZNQSA-N 0 3 469.630 3.405 20 0 JGADHN CC(C)(C)c1nnc(N2CCN(CC(F)F)CC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001302096136 1066526683 /nfs/dbraw/zinc/52/66/83/1066526683.db2.gz OVSZVCYFYNKINS-NRFANRHFSA-N 0 3 476.616 3.254 20 0 JGADHN CC(=O)N1CC[C@H](CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC001301663318 1066536701 /nfs/dbraw/zinc/53/67/01/1066536701.db2.gz VBVSKFXAFODUQY-NOZRDPDXSA-N 0 3 492.672 3.056 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCO[C@@H](c3ccc(F)cc3F)C2)n1CCN1CCCCC1 ZINC001302104553 1066539014 /nfs/dbraw/zinc/53/90/14/1066539014.db2.gz DBQUEMWEORIGKB-XMSQKQJNSA-N 0 3 479.572 3.344 20 0 JGADHN COCCOc1ncccc1Cn1c(-c2ccccc2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001302138361 1066584294 /nfs/dbraw/zinc/58/42/94/1066584294.db2.gz QFKLDZCJRLWWEY-UHFFFAOYSA-N 0 3 450.587 3.334 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)(C)C)n3Cc3nc(C)c(C)s3)C[C@H]2C)CC1 ZINC001301707581 1066598197 /nfs/dbraw/zinc/59/81/97/1066598197.db2.gz DIKUQEVNTQWCOF-DYESRHJHSA-N 0 3 487.718 3.367 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4ccccc4C)n3CCCOC(C)C)C[C@H]2C)CC1 ZINC001301708409 1066600492 /nfs/dbraw/zinc/60/04/92/1066600492.db2.gz MNHNLIFFYNHLEH-RCZVLFRGSA-N 0 3 482.673 3.448 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3CCOCCC(C)C)C[C@H]2C)CC1 ZINC001301708420 1066600679 /nfs/dbraw/zinc/60/06/79/1066600679.db2.gz MQHOYFKZFGVHLG-IFMALSPDSA-N 0 3 462.683 3.017 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(CC(C)C)n3CCc3ccsc3)C[C@H]2C)CC1 ZINC001301708486 1066601194 /nfs/dbraw/zinc/60/11/94/1066601194.db2.gz NVIQPGGEOQJHKF-KNQAVFIVSA-N 0 3 458.676 3.160 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3CCCOCCC(C)C)C[C@H]2C)CC1 ZINC001301708733 1066602159 /nfs/dbraw/zinc/60/21/59/1066602159.db2.gz PSCSXEGZXYVYQH-FYYLOGMGSA-N 0 3 462.683 3.233 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3Cc3cccc(F)c3)C[C@@H]2C)CC1 ZINC001301709355 1066602708 /nfs/dbraw/zinc/60/27/08/1066602708.db2.gz UDPPRMWERCTHST-PGRDOPGGSA-N 0 3 456.610 3.142 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)C)n3C[C@@H]3CCCCS3)C[C@@H]2C)CC1 ZINC001301709377 1066602744 /nfs/dbraw/zinc/60/27/44/1066602744.db2.gz UQTJDSIRTPBQSX-ILWGZMRPSA-N 0 3 462.708 3.141 20 0 JGADHN COCCO[C@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@H](c2ccsc2)N(C)C)C1 ZINC001302151542 1066602780 /nfs/dbraw/zinc/60/27/80/1066602780.db2.gz MBECGDFWONOLEN-PZJWPPBQSA-N 0 3 456.616 3.336 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(CC4CCCC4)n3CCOC(C)(C)C)C[C@@H]2C)CC1 ZINC001301709652 1066603729 /nfs/dbraw/zinc/60/37/29/1066603729.db2.gz VPAAXHVZKARLPO-REWPJTCUSA-N 0 3 474.694 3.205 20 0 JGADHN COCCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC001302163130 1066623318 /nfs/dbraw/zinc/62/33/18/1066623318.db2.gz YVJACOWYMGWKJU-PKTZIBPZSA-N 0 3 471.646 3.108 20 0 JGADHN COCCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC001302163127 1066623398 /nfs/dbraw/zinc/62/33/98/1066623398.db2.gz YVJACOWYMGWKJU-DHIUTWEWSA-N 0 3 471.646 3.108 20 0 JGADHN CC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](c2ccc(F)cc2)N(C)C)[C@H](C)C1 ZINC001301721874 1066627650 /nfs/dbraw/zinc/62/76/50/1066627650.db2.gz NDSRKDWWWLZNAR-IIBYNOLFSA-N 0 3 485.995 3.493 20 0 JGADHN CC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](c2ccc(F)cc2)N(C)C)[C@H](C)C1 ZINC001301721873 1066627781 /nfs/dbraw/zinc/62/77/81/1066627781.db2.gz NDSRKDWWWLZNAR-IERDGZPVSA-N 0 3 485.995 3.493 20 0 JGADHN CC(C)(C)Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@H]1CCCCC1(F)F ZINC001302167168 1066632788 /nfs/dbraw/zinc/63/27/88/1066632788.db2.gz XTTRMPWBLRLPOY-IBGZPJMESA-N 0 3 466.621 3.437 20 0 JGADHN COCCN(C)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCc2c(cc[nH]c2=O)C1 ZINC001301723264 1066634043 /nfs/dbraw/zinc/63/40/43/1066634043.db2.gz XTANJTZUHOQUMB-QGZVFWFLSA-N 0 3 487.004 3.313 20 0 JGADHN COCCN(C)CCn1c(C2CCC2)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC001301730920 1066649909 /nfs/dbraw/zinc/64/99/09/1066649909.db2.gz GGMXAIKBAWXFDP-UHFFFAOYSA-N 0 3 468.433 3.152 20 0 JGADHN COCCN(C)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC001301731109 1066650639 /nfs/dbraw/zinc/65/06/39/1066650639.db2.gz JZTNHDZAHMJKBP-LEWJYISDSA-N 0 3 464.010 3.329 20 0 JGADHN COCCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](c2ccsc2)N(C)C)C1 ZINC001302176876 1066651890 /nfs/dbraw/zinc/65/18/90/1066651890.db2.gz WNKVQAAPOCGMAT-CTNGQTDRSA-N 0 3 456.616 3.255 20 0 JGADHN COCCN(C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)C[C@H](C)C1 ZINC001301732124 1066652019 /nfs/dbraw/zinc/65/20/19/1066652019.db2.gz REPSAGJKUQYOLG-BGYRXZFFSA-N 0 3 478.682 3.453 20 0 JGADHN COCCN(C)CCn1c(C2CCCC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001301732897 1066653318 /nfs/dbraw/zinc/65/33/18/1066653318.db2.gz WTBVAGPOJYPHFN-LJQANCHMSA-N 0 3 450.628 3.007 20 0 JGADHN COCCN(C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 ZINC001301734962 1066656692 /nfs/dbraw/zinc/65/66/92/1066656692.db2.gz TZIKGMBZLFZMEH-HXUWFJFHSA-N 0 3 492.596 3.068 20 0 JGADHN COCCN(C)CCn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 ZINC001301735801 1066658126 /nfs/dbraw/zinc/65/81/26/1066658126.db2.gz DVAHXISAORYRBG-QFIPXVFZSA-N 0 3 471.646 3.184 20 0 JGADHN COCCOC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 ZINC001302180452 1066658274 /nfs/dbraw/zinc/65/82/74/1066658274.db2.gz ZKVMRQUMAAEFHY-VWNXMTODSA-N 0 3 471.646 3.415 20 0 JGADHN COCCN(C)CCn1c(Cc2ccsc2)nnc1N1CCO[C@H](c2ccccc2F)C1 ZINC001301736296 1066658793 /nfs/dbraw/zinc/65/87/93/1066658793.db2.gz JXOAAJZTXRSGGB-NRFANRHFSA-N 0 3 459.591 3.226 20 0 JGADHN COCCN(C)CCn1c(CSc2ccc(C)cc2)nnc1N1CCc2c(cc[nH]c2=O)C1 ZINC001301736468 1066658883 /nfs/dbraw/zinc/65/88/83/1066658883.db2.gz MLNJTZHYHMMBOB-UHFFFAOYSA-N 0 3 468.627 3.120 20 0 JGADHN COCCN(C)CCn1c(N2CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001301739533 1066660804 /nfs/dbraw/zinc/66/08/04/1066660804.db2.gz AIRGGGAARSGGPU-RTBURBONSA-N 0 3 466.671 3.283 20 0 JGADHN COCCN(C)CCn1c(N2CCC[C@@]3(CC=CCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001301739976 1066660957 /nfs/dbraw/zinc/66/09/57/1066660957.db2.gz GYALVBHSGYUDJT-LOSJGSFVSA-N 0 3 461.651 3.224 20 0 JGADHN COCCN(C)CCn1c(N2CCc3cccc(Br)c3C2)nnc1C(C)(C)C ZINC001301740453 1066662070 /nfs/dbraw/zinc/66/20/70/1066662070.db2.gz KVTVBPUAGZZJCY-UHFFFAOYSA-N 0 3 450.425 3.479 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@]2(O)CCSC2)CC1 ZINC001302192200 1066675924 /nfs/dbraw/zinc/67/59/24/1066675924.db2.gz GEFXZFISIUCVPR-RUZDIDTESA-N 0 3 473.687 3.326 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(Cc3ccncc3)n2CCCO[C@H]2CCOC2)CC1 ZINC001302193142 1066678336 /nfs/dbraw/zinc/67/83/36/1066678336.db2.gz NSTWYHUWWKFRJF-QFIPXVFZSA-N 0 3 456.635 3.018 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCOC[C@H]2CCCO2)CC1 ZINC001302202866 1066698608 /nfs/dbraw/zinc/69/86/08/1066698608.db2.gz LGSRDNJPIXJFMN-LJQANCHMSA-N 0 3 463.026 3.500 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCOC[C@@H]2CCCO2)CC1 ZINC001302202865 1066698622 /nfs/dbraw/zinc/69/86/22/1066698622.db2.gz LGSRDNJPIXJFMN-IBGZPJMESA-N 0 3 463.026 3.500 20 0 JGADHN CC(C)(C)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCNc2ccc(C(F)(F)F)cn2)CC1 ZINC001302202825 1066698632 /nfs/dbraw/zinc/69/86/32/1066698632.db2.gz JVWZRQMBOBLXFV-QGZVFWFLSA-N 0 3 494.566 3.066 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCOC[C@H]2CCOC2)CC1 ZINC001302202733 1066698779 /nfs/dbraw/zinc/69/87/79/1066698779.db2.gz KIZRORBKHBBNKN-OAQYLSRUSA-N 0 3 459.610 3.372 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC2CCOCC2)CC1 ZINC001302203674 1066700543 /nfs/dbraw/zinc/70/05/43/1066700543.db2.gz SQLMQTXICDOMOA-UHFFFAOYSA-N 0 3 489.686 3.476 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(Cc3cccnc3)n2Cc2ccnc(OC(F)F)c2)CC1 ZINC001302203856 1066700579 /nfs/dbraw/zinc/70/05/79/1066700579.db2.gz YRLZHWORZLMNIC-UHFFFAOYSA-N 0 3 457.529 3.229 20 0 JGADHN Cc1cccc(CN2CC[C@@H](NC(=O)CCc3ccc(S(=O)(=O)N4CCCC4)cc3)C2)c1 ZINC001301781490 1066730939 /nfs/dbraw/zinc/73/09/39/1066730939.db2.gz DXSZOUVQQVUYAJ-HSZRJFAPSA-N 0 3 455.624 3.103 20 0 JGADHN COCCOCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001302223829 1066734251 /nfs/dbraw/zinc/73/42/51/1066734251.db2.gz WHZQHBGDPYAMBD-UHFFFAOYSA-N 0 3 485.673 3.454 20 0 JGADHN CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCN(C(C)(C)C)CC3)n2CCc2cn[nH]c2)C1 ZINC001302223953 1066734747 /nfs/dbraw/zinc/73/47/47/1066734747.db2.gz ILKBUFTWMOGDEZ-FQEVSTJZSA-N 0 3 486.665 3.279 20 0 JGADHN CC(=O)NC1CCC(N(C)c2nnc(-c3cnn(C)c3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 ZINC001301804655 1066756670 /nfs/dbraw/zinc/75/66/70/1066756670.db2.gz HIODTCAYBNWLJZ-XPPIMPSXSA-N 0 3 482.608 3.004 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC(C)C)n1CC1(N2CCSCC2)CCCC1 ZINC001302247928 1066779099 /nfs/dbraw/zinc/77/90/99/1066779099.db2.gz IUMIUNNIKPURNM-PMACEKPBSA-N 0 3 451.681 3.456 20 0 JGADHN CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C)o3)n2CCN(C)Cc2ccc(F)cc2)C1 ZINC001301819221 1066780145 /nfs/dbraw/zinc/78/01/45/1066780145.db2.gz SOJKJRPKVAFYIN-NRFANRHFSA-N 0 3 454.550 3.223 20 0 JGADHN COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001301828305 1066793916 /nfs/dbraw/zinc/79/39/16/1066793916.db2.gz YGOWFBXQEROCHV-QHCPKHFHSA-N 0 3 454.663 3.494 20 0 JGADHN CC(=O)NC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)N2CCC(C)CC2)CC1 ZINC001301835363 1066803403 /nfs/dbraw/zinc/80/34/03/1066803403.db2.gz NLVOHNQWJUEJGF-NRFANRHFSA-N 0 3 495.672 3.373 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H]2CCCCO2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001302259034 1066804738 /nfs/dbraw/zinc/80/47/38/1066804738.db2.gz FLQWDDYGTAPHLH-IZBOUPIGSA-N 0 3 475.609 3.449 20 0 JGADHN CC(C)(C)OC(=O)NCCCCn1c(C2CCC2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001302263166 1066811385 /nfs/dbraw/zinc/81/13/85/1066811385.db2.gz JCCQVRUZOUDXGX-UHFFFAOYSA-N 0 3 462.639 3.152 20 0 JGADHN COCCn1c(COc2ccc(Br)cc2)nnc1N1CCN(CC(C)C)CC1 ZINC001301841132 1066812615 /nfs/dbraw/zinc/81/26/15/1066812615.db2.gz GIWXIOVUIRXDSS-UHFFFAOYSA-N 0 3 452.397 3.044 20 0 JGADHN CC(=O)NC[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCCN2CCc3ccccc3C2)C1 ZINC001301860066 1066844801 /nfs/dbraw/zinc/84/48/01/1066844801.db2.gz YKZSWTFYFDTLDP-OAQYLSRUSA-N 0 3 452.647 3.377 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C)[C@@H](OC)C2)n1C[C@H](c1ccc(C)cc1)N(C)C ZINC001302277668 1066845463 /nfs/dbraw/zinc/84/54/63/1066845463.db2.gz JVCDFGKHEFADOE-PJKILVJMSA-N 0 3 471.646 3.475 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H](C)Oc1cccc(OC)c1 ZINC001302304789 1066892721 /nfs/dbraw/zinc/89/27/21/1066892721.db2.gz BKNVMJRNBWIPQE-JTAQYXEDSA-N 0 3 487.645 3.399 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1CCCC(C)(C)COC ZINC001302305182 1066893761 /nfs/dbraw/zinc/89/37/61/1066893761.db2.gz KSBCPHQXZHFFIY-PMACEKPBSA-N 0 3 451.656 3.375 20 0 JGADHN COCCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CN(CC(C)C)CCO2)C[C@H]1C ZINC001301888782 1066904978 /nfs/dbraw/zinc/90/49/78/1066904978.db2.gz PHIGIMWNLZFYPZ-NFBKMPQASA-N 0 3 491.080 3.112 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(CC(C)C)CC2)n1CCOc1ccccc1C ZINC001302312137 1066907194 /nfs/dbraw/zinc/90/71/94/1066907194.db2.gz PHQYTGBSPZBGIR-GMAHTHKFSA-N 0 3 457.619 3.168 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(CC(C)C)CC2)n1C[C@H](C)Oc1ccccc1 ZINC001302312675 1066908378 /nfs/dbraw/zinc/90/83/78/1066908378.db2.gz YXKIBOFHSRDSGD-FUDKSRODSA-N 0 3 457.619 3.248 20 0 JGADHN COCCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](c2cccs2)N(C)C)CC1 ZINC001301891493 1066910693 /nfs/dbraw/zinc/91/06/93/1066910693.db2.gz ORECPYJWEJZGDV-NRFANRHFSA-N 0 3 470.643 3.087 20 0 JGADHN COCCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CN(CC(C)C)CCO2)C[C@H]1C ZINC001301896046 1066918060 /nfs/dbraw/zinc/91/80/60/1066918060.db2.gz DFWCKIYJULLVOZ-RTWAWAEBSA-N 0 3 491.080 3.112 20 0 JGADHN COCCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](c2ccsc2)N(C)C)CC1 ZINC001301896431 1066919747 /nfs/dbraw/zinc/91/97/47/1066919747.db2.gz JQEPWSWSKQTDCT-OAQYLSRUSA-N 0 3 470.643 3.087 20 0 JGADHN COCCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2ccccc2Cl)N(C)C)C[C@H]1C ZINC001301900107 1066924809 /nfs/dbraw/zinc/92/48/09/1066924809.db2.gz XBDMIUOTFOXQMM-XMSQKQJNSA-N 0 3 472.037 3.386 20 0 JGADHN CO[C@@H]1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCN(C)Cc2ccccc2)C1 ZINC001302384731 1066968058 /nfs/dbraw/zinc/96/80/58/1066968058.db2.gz YOTPTYZFMZCHQZ-BHIFYINESA-N 0 3 484.645 3.406 20 0 JGADHN CC(C)=CCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001302385580 1066968337 /nfs/dbraw/zinc/96/83/37/1066968337.db2.gz KLYMYMNOOTUKJZ-QHCPKHFHSA-N 0 3 450.631 3.276 20 0 JGADHN CC(C)=CCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001302385579 1066968381 /nfs/dbraw/zinc/96/83/81/1066968381.db2.gz KLYMYMNOOTUKJZ-HSZRJFAPSA-N 0 3 450.631 3.276 20 0 JGADHN CC(C)C(=O)N1CCCN(c2nnc(Cc3cccnc3)n2CCN(C)Cc2ccccc2)CC1 ZINC001302398213 1066977913 /nfs/dbraw/zinc/97/79/13/1066977913.db2.gz KSANOGJLLDYGIT-UHFFFAOYSA-N 0 3 475.641 3.091 20 0 JGADHN CC(C)C(=O)N[C@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2cccs2)N(C)C)C1 ZINC001302417388 1067000360 /nfs/dbraw/zinc/00/03/60/1067000360.db2.gz KSQFRDCJQHGQNE-SFTDATJTSA-N 0 3 481.670 3.369 20 0 JGADHN CC(C)C(=O)N[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@H](c2ccc(F)cc2)N(C)C)C1 ZINC001302420160 1067005234 /nfs/dbraw/zinc/00/52/34/1067005234.db2.gz XPYCACAJUPAUBL-DNQXCXABSA-N 0 3 493.631 3.447 20 0 JGADHN CC(C)C(=O)NC1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2ccsc2)N(C)C)CC1 ZINC001302421253 1067006911 /nfs/dbraw/zinc/00/69/11/1067006911.db2.gz LIHBMIQITYHUPB-HXUWFJFHSA-N 0 3 455.632 3.379 20 0 JGADHN CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCS(=O)CC2)n1CCN1CCCC(C)(C)C1 ZINC001303962310 1067016676 /nfs/dbraw/zinc/01/66/76/1067016676.db2.gz HVPLAWXQZRFCCJ-IBGZPJMESA-N 0 3 494.706 3.041 20 0 JGADHN CC(C)C(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@H](c2ccccc2)N(C)C)C1 ZINC001302436604 1067031237 /nfs/dbraw/zinc/03/12/37/1067031237.db2.gz YWNHQRTWJKJPTM-OEMFJLHTSA-N 0 3 482.673 3.464 20 0 JGADHN Cc1cccc(O[C@H](C)c2nnc(N(C)CCN3CCOCC3)n2CCN2CCCCC2)c1C ZINC001304017747 1067061630 /nfs/dbraw/zinc/06/16/30/1067061630.db2.gz GYLGOOTWKSBJPJ-HSZRJFAPSA-N 0 3 470.662 3.289 20 0 JGADHN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CCN2CCCCC2)c1C ZINC001304019492 1067063613 /nfs/dbraw/zinc/06/36/13/1067063613.db2.gz JTSRAKYGEWGGCY-NBGIEHNGSA-N 0 3 454.619 3.223 20 0 JGADHN Cc1cccc(O[C@H](C)c2nnc(N3CCN(CC(C)C)CC3)n2C[C@H]2CCC(=O)N2)c1C ZINC001304031992 1067081640 /nfs/dbraw/zinc/08/16/40/1067081640.db2.gz YUKJEDQSCPHOET-NHCUHLMSSA-N 0 3 454.619 3.092 20 0 JGADHN CC(C)[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)N1CCCC1 ZINC001302512484 1067125018 /nfs/dbraw/zinc/12/50/18/1067125018.db2.gz CSPMSXGLYWUOPN-VQTJNVASSA-N 0 3 466.051 3.342 20 0 JGADHN Cc1occc1CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1cccs1)N1CCCC1 ZINC001304082176 1067128801 /nfs/dbraw/zinc/12/88/01/1067128801.db2.gz WMSOHPRJHSVGKB-VQIMIIECSA-N 0 3 492.671 3.325 20 0 JGADHN Cc1c(CN(C)c2nnc(Cc3ccncc3)n2CCN(C)Cc2ccc(F)cc2)cnn1C ZINC001304091897 1067135202 /nfs/dbraw/zinc/13/52/02/1067135202.db2.gz LPYVJBZBPRLTQA-UHFFFAOYSA-N 0 3 462.577 3.213 20 0 JGADHN Cc1c(CN(C)c2nnc(Cc3cccnc3)n2C[C@H](c2cccs2)N(C)C)cnn1C ZINC001304092060 1067135224 /nfs/dbraw/zinc/13/52/24/1067135224.db2.gz PMZFHQOPRAJBNB-HXUWFJFHSA-N 0 3 450.616 3.307 20 0 JGADHN CC(C)[C@H](Cn1c(CCc2ccccc2)nnc1N1CCC(S(C)(=O)=O)CC1)N1CCCC1 ZINC001302528220 1067156207 /nfs/dbraw/zinc/15/62/07/1067156207.db2.gz HLMVLJIJNIFJKK-QHCPKHFHSA-N 0 3 473.687 3.197 20 0 JGADHN CC(C)[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)N1CCCC1 ZINC001302529121 1067157950 /nfs/dbraw/zinc/15/79/50/1067157950.db2.gz RXZAZLBQOMFFAF-PZJWPPBQSA-N 0 3 496.077 3.254 20 0 JGADHN CSC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001302531467 1067160699 /nfs/dbraw/zinc/16/06/99/1067160699.db2.gz QICFBDFELDYMNN-HXUWFJFHSA-N 0 3 491.105 3.407 20 0 JGADHN CC(C)[C@H](Cn1c(N2CCN(C(=O)c3ccc([O-])cc3)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001302532094 1067161284 /nfs/dbraw/zinc/16/12/84/1067161284.db2.gz TZJACLCMAZEDOU-QFIPXVFZSA-N 0 3 468.646 3.364 20 0 JGADHN Cc1c(Cn2c(N3CCN(CC(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)cnn1CC(C)C ZINC001304127582 1067165642 /nfs/dbraw/zinc/16/56/42/1067165642.db2.gz CQCZKCLEJONIRA-SANMLTNESA-N 0 3 487.693 3.306 20 0 JGADHN CS[C@@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001302537016 1067168395 /nfs/dbraw/zinc/16/83/95/1067168395.db2.gz UZTNJWLWUSVJCJ-FQEVSTJZSA-N 0 3 486.686 3.447 20 0 JGADHN COC(=O)[C@](C)(Cn1cnc2ccccc21)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001304136444 1067174946 /nfs/dbraw/zinc/17/49/46/1067174946.db2.gz ZSLXKUWYRDBIMA-DFBJGRDBSA-N 0 3 452.530 3.136 20 0 JGADHN CS[C@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC001302542954 1067175384 /nfs/dbraw/zinc/17/53/84/1067175384.db2.gz WGTUPKFIBCUYAZ-JLAWEPINSA-N 0 3 457.648 3.378 20 0 JGADHN Cc1cc([C@@](C)(O)Cn2c(CC(C)C)nnc2N2CC[C@@H](N3CCN(C(C)C)CC3)C2)c(C)o1 ZINC001304152343 1067199310 /nfs/dbraw/zinc/19/93/10/1067199310.db2.gz MNEMJSGLRDAPFZ-GJZUVCINSA-N 0 3 472.678 3.199 20 0 JGADHN CS[C@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001302559707 1067200446 /nfs/dbraw/zinc/20/04/46/1067200446.db2.gz ZSUOWKPIUNAMMM-QGZVFWFLSA-N 0 3 465.614 3.447 20 0 JGADHN Cc1cc([C@](C)(O)Cn2c(N3CCN(CC(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)c(C)o1 ZINC001304157150 1067205280 /nfs/dbraw/zinc/20/52/80/1067205280.db2.gz WCZLRIZQRJPVET-CLJLJLNGSA-N 0 3 489.661 3.214 20 0 JGADHN CC(C)c1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1CC1CN(C(=O)OC(C)(C)C)C1 ZINC001302567862 1067207385 /nfs/dbraw/zinc/20/73/85/1067207385.db2.gz BKQKOTAJNXVJMW-UHFFFAOYSA-N 0 3 486.665 3.066 20 0 JGADHN CC(C)c1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1Cc1ccc(C[S@](C)=O)cc1 ZINC001302571342 1067210612 /nfs/dbraw/zinc/21/06/12/1067210612.db2.gz NSVMZVDGGDGCQD-UMSFTDKQSA-N 0 3 483.686 3.126 20 0 JGADHN Cc1cc(CN(C)c2nnc(COc3cc(C)cc(C)c3)n2CCN2CCN(C)C(C)(C)C2)no1 ZINC001304168396 1067215308 /nfs/dbraw/zinc/21/53/08/1067215308.db2.gz HLJGRBZVCSRASB-UHFFFAOYSA-N 0 3 481.645 3.433 20 0 JGADHN CS[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CN2CCOCC2)CC1)C(C)(C)C ZINC001302579990 1067217617 /nfs/dbraw/zinc/21/76/17/1067217617.db2.gz LDFYUOLLRBRYTM-NHCUHLMSSA-N 0 3 465.708 3.498 20 0 JGADHN Cc1cc(C)cc(OCc2nnc(N3CC=CCC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001304170411 1067218231 /nfs/dbraw/zinc/21/82/31/1067218231.db2.gz KTAIUMLMPLBXAF-HSZRJFAPSA-N 0 3 466.630 3.183 20 0 JGADHN CC(C)c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1C[C@@H](C)N1CCc2ccccc2C1 ZINC001302595226 1067232631 /nfs/dbraw/zinc/23/26/31/1067232631.db2.gz PNLZYHIEHRLKEN-VSKRKVRLSA-N 0 3 454.663 3.394 20 0 JGADHN CC(C)c1nnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1CC1CC[NH+](CCN(C)C)CC1 ZINC001302606935 1067241443 /nfs/dbraw/zinc/24/14/43/1067241443.db2.gz NEBLOXZOUJTOCM-UHFFFAOYSA-N 0 3 482.673 3.480 20 0 JGADHN Cc1cc(-c2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2CCN(C)C(C)C)c2ccccc2n1 ZINC001304194652 1067244093 /nfs/dbraw/zinc/24/40/93/1067244093.db2.gz BEJAJXKXPNCFGP-IBGZPJMESA-N 0 3 470.643 3.155 20 0 JGADHN Cc1cccc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCC(C)CC2)c1 ZINC001304206089 1067252298 /nfs/dbraw/zinc/25/22/98/1067252298.db2.gz RLBFRTBXBCFWHH-JOCHJYFZSA-N 0 3 459.660 3.247 20 0 JGADHN CCN1CCN(CCC(=O)N2CCC(CNC(=O)OC(C)(C)C)(c3ccccc3)CC2)CC1 ZINC001304210464 1067254664 /nfs/dbraw/zinc/25/46/64/1067254664.db2.gz ALJHQTVEGJTGHL-UHFFFAOYSA-N 0 3 458.647 3.099 20 0 JGADHN Cc1cccc(CN(C)c2nnc([C@H]3CCCO3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001304210562 1067254690 /nfs/dbraw/zinc/25/46/90/1067254690.db2.gz DOXIUTGNDVAHII-FGZHOGPDSA-N 0 3 454.619 3.017 20 0 JGADHN CSc1cc(C)ccc1Cn1c(C(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001302634398 1067263531 /nfs/dbraw/zinc/26/35/31/1067263531.db2.gz WODPPBGIFLEHQS-UHFFFAOYSA-N 0 3 456.660 3.225 20 0 JGADHN CSc1cc(C)ccc1Cn1c(CC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001302636897 1067267042 /nfs/dbraw/zinc/26/70/42/1067267042.db2.gz VHNCORQRGHYIJJ-NRFANRHFSA-N 0 3 470.687 3.298 20 0 JGADHN CSc1cc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCN(CC(C)C)CC2)ccn1 ZINC001302643774 1067272061 /nfs/dbraw/zinc/27/20/61/1067272061.db2.gz RDDMELUWTSXZKM-UHFFFAOYSA-N 0 3 454.648 3.083 20 0 JGADHN CS[C@@H]1CCCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(N(C)C)CCSC2)C1 ZINC001302663584 1067290568 /nfs/dbraw/zinc/29/05/68/1067290568.db2.gz OSTWYJXTDIPKKG-VGSWGCGISA-N 0 3 475.688 3.085 20 0 JGADHN Cc1ccc([C@H](C)Cn2c(N3CCN(C(=O)CN4CCCC4)CC3)nnc2C(C)(C)C)cc1 ZINC001304271502 1067306800 /nfs/dbraw/zinc/30/68/00/1067306800.db2.gz FWSVHCDDAQQBFM-OAQYLSRUSA-N 0 3 452.647 3.432 20 0 JGADHN Cc1noc(C2(C)CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](c3ccc(C)cc3)N(C)C)CC2)n1 ZINC001304273410 1067309816 /nfs/dbraw/zinc/30/98/16/1067309816.db2.gz KKAOASQKTIYOOK-NRFANRHFSA-N 0 3 494.644 3.277 20 0 JGADHN Cc1ccc([C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](c3ccco3)C2)N(C)C)cc1 ZINC001304274981 1067312533 /nfs/dbraw/zinc/31/25/33/1067312533.db2.gz OWYMQWDOZVDKQY-TYPHKJRUSA-N 0 3 486.642 3.087 20 0 JGADHN CC(C)c1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001302688693 1067313086 /nfs/dbraw/zinc/31/30/86/1067313086.db2.gz DBXIPIWDLFMCMC-DEOSSOPVSA-N 0 3 499.679 3.368 20 0 JGADHN CC(C)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CC1CCN(CC(F)(F)F)CC1 ZINC001302689687 1067313993 /nfs/dbraw/zinc/31/39/93/1067313993.db2.gz PDVPILKOKWKAJA-SFHVURJKSA-N 0 3 472.600 3.365 20 0 JGADHN Cc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3cccs3)CC2)N(C)C)cc1 ZINC001304276557 1067315358 /nfs/dbraw/zinc/31/53/58/1067315358.db2.gz SRPIYXJTHQNQLY-NRFANRHFSA-N 0 3 481.670 3.416 20 0 JGADHN CC(C)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001302690599 1067315625 /nfs/dbraw/zinc/31/56/25/1067315625.db2.gz SYBKXLHCMKKGGC-QZTJIDSGSA-N 0 3 450.628 3.004 20 0 JGADHN CSC[C@@H]1CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N(C)Cc1ccccc1 ZINC001302690975 1067315848 /nfs/dbraw/zinc/31/58/48/1067315848.db2.gz UHGLKHPBZFCDKE-CTNGQTDRSA-N 0 3 456.660 3.366 20 0 JGADHN CC(C)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001302691050 1067315904 /nfs/dbraw/zinc/31/59/04/1067315904.db2.gz BHDOETKOPXKNEJ-GCJKJVERSA-N 0 3 467.536 3.010 20 0 JGADHN CSC[C@H]1CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N(C)Cc1ccccc1 ZINC001302690978 1067316021 /nfs/dbraw/zinc/31/60/21/1067316021.db2.gz UHGLKHPBZFCDKE-TZIWHRDSSA-N 0 3 456.660 3.366 20 0 JGADHN Cc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H]2c2cnn(C)c2)N(C)C)cc1 ZINC001304277591 1067316281 /nfs/dbraw/zinc/31/62/81/1067316281.db2.gz XSJXMVCSXAAOCZ-FCHUYYIVSA-N 0 3 464.618 3.103 20 0 JGADHN Cc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N(C)CC2CCOCC2)N2CCCC2)cc1 ZINC001304277328 1067316304 /nfs/dbraw/zinc/31/63/04/1067316304.db2.gz XHHPIYXDIWRCFK-QHCPKHFHSA-N 0 3 468.646 3.425 20 0 JGADHN Cc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@H]2c2cnn(C)c2)N(C)C)cc1 ZINC001304277595 1067316372 /nfs/dbraw/zinc/31/63/72/1067316372.db2.gz XSJXMVCSXAAOCZ-VXKWHMMOSA-N 0 3 464.618 3.103 20 0 JGADHN Cc1ccc([C@H](Cn2c([C@H]3CCCOC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)N(C)C)cc1 ZINC001304278084 1067317017 /nfs/dbraw/zinc/31/70/17/1067317017.db2.gz JCLAMAPBEMPMPO-GOTSBHOMSA-N 0 3 482.673 3.478 20 0 JGADHN Cc1ccc([C@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)N(C)C)cc1 ZINC001304278086 1067317231 /nfs/dbraw/zinc/31/72/31/1067317231.db2.gz JCLAMAPBEMPMPO-PKTZIBPZSA-N 0 3 482.673 3.478 20 0 JGADHN Cc1ccc([C@H](Cn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)OCC(C)C)CC2)N(C)C)cc1 ZINC001304278770 1067319333 /nfs/dbraw/zinc/31/93/33/1067319333.db2.gz NYLRCGLIOVOFEN-GOTSBHOMSA-N 0 3 484.645 3.308 20 0 JGADHN Cc1ccc([C@H](Cn2c([C@@H]3CCOC3)nnc2N(C)CC2COC(C)(C)OC2)N(C)C)cc1 ZINC001304279259 1067319663 /nfs/dbraw/zinc/31/96/63/1067319663.db2.gz SVKPWQOMGDRKLO-YADHBBJMSA-N 0 3 457.619 3.229 20 0 JGADHN Cc1ccc(C)c(OCc2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@H](C)N2CCOCC2)c1 ZINC001304289590 1067335537 /nfs/dbraw/zinc/33/55/37/1067335537.db2.gz UWTNDPDZKWWRQF-JOCHJYFZSA-N 0 3 470.662 3.115 20 0 JGADHN Cc1ccc(CN2CC[C@@H](NC(=O)CC[C@H]3NC(=O)N(c4ccc(Cl)cc4)C3=O)C2)cc1 ZINC001302720743 1067336996 /nfs/dbraw/zinc/33/69/96/1067336996.db2.gz BFIJUCYPDOFYIF-TZIWHRDSSA-N 0 3 454.958 3.244 20 0 JGADHN Cc1ccc(C)c(OCc2nnc(N3CCN(CC4CCOCC4)CC3)n2C[C@@](C)(O)C(C)C)c1 ZINC001304290831 1067338406 /nfs/dbraw/zinc/33/84/06/1067338406.db2.gz HYEIOBDLUNIKMK-HHHXNRCGSA-N 0 3 485.673 3.430 20 0 JGADHN Cc1ccc(-c2nnc(N(C)Cc3ccoc3C)n2CCCN2CCC[C@H]2C(=O)N(C)C)o1 ZINC001304295870 1067345380 /nfs/dbraw/zinc/34/53/80/1067345380.db2.gz GGOSZQWKSNVIOT-FQEVSTJZSA-N 0 3 454.575 3.327 20 0 JGADHN Cc1ccc(-c2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2C[C@@H](C)CN2CCCCC2)o1 ZINC001304297937 1067347174 /nfs/dbraw/zinc/34/71/74/1067347174.db2.gz QXVZCULGSAMIEL-QXAKKESOSA-N 0 3 451.637 3.226 20 0 JGADHN Cc1ccc(-c2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2C[C@H](C)CN2CCCCC2)o1 ZINC001304297933 1067347396 /nfs/dbraw/zinc/34/73/96/1067347396.db2.gz QXVZCULGSAMIEL-BHIYHBOVSA-N 0 3 451.637 3.226 20 0 JGADHN CSCCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001302748206 1067356440 /nfs/dbraw/zinc/35/64/40/1067356440.db2.gz HKPIZOGKUFGFCA-PMACEKPBSA-N 0 3 451.681 3.395 20 0 JGADHN CC(C)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(C)C)CC1)N1CCCC1 ZINC001302762299 1067363930 /nfs/dbraw/zinc/36/39/30/1067363930.db2.gz QCDNNEKEUPUHEB-LEWJYISDSA-N 0 3 451.681 3.173 20 0 JGADHN Cc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2Cc2nncn2C)cc1Br ZINC001304321664 1067368796 /nfs/dbraw/zinc/36/87/96/1067368796.db2.gz CMXOHBSEEBWJFP-UHFFFAOYSA-N 0 3 473.423 3.113 20 0 JGADHN Cc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CC2(NC(=O)OC(C)(C)C)COC2)o1 ZINC001304322579 1067370431 /nfs/dbraw/zinc/37/04/31/1067370431.db2.gz VZZSCGXGBYMHGT-UHFFFAOYSA-N 0 3 474.606 3.061 20 0 JGADHN CC(C)[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CCS1 ZINC001302775940 1067373128 /nfs/dbraw/zinc/37/31/28/1067373128.db2.gz CFRMOFJCSDOPKR-HBMCJLEFSA-N 0 3 478.707 3.040 20 0 JGADHN CC(C)[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccc(F)cc2)N(C)C)CCS1 ZINC001302784724 1067377764 /nfs/dbraw/zinc/37/77/64/1067377764.db2.gz XLXCKYKGXQQHLG-RTWAWAEBSA-N 0 3 474.650 3.420 20 0 JGADHN CC(C)C[C@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@H](S(C)(=O)=O)C1)N(C)C ZINC001302816323 1067403134 /nfs/dbraw/zinc/40/31/34/1067403134.db2.gz GTHQKARJIHLHMD-MSOLQXFVSA-N 0 3 458.632 3.026 20 0 JGADHN CC(C)C[C@H](Cn1c(C2CCC2)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1)[NH+](C)C ZINC001302821761 1067410610 /nfs/dbraw/zinc/41/06/10/1067410610.db2.gz YPQOTFJGFOIGQJ-HXUWFJFHSA-N 0 3 454.619 3.190 20 0 JGADHN Cc1ccc(N2CCN(c3nnc(CC(C)(C)C)n3CCN3CCN(C)C(C)(C)C3)CC2=O)cc1 ZINC001304374044 1067412578 /nfs/dbraw/zinc/41/25/78/1067412578.db2.gz KXUAQVTZWROWMP-UHFFFAOYSA-N 0 3 481.689 3.054 20 0 JGADHN CC(C)CC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CCCCC3)CC2)CC1 ZINC001302824618 1067413807 /nfs/dbraw/zinc/41/38/07/1067413807.db2.gz PCMPDTPVDCHTDS-LJQANCHMSA-N 0 3 466.696 3.169 20 0 JGADHN O=C(N[C@H]1CCC[C@@H]1N1CCC(O)CC1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC001302835080 1067422518 /nfs/dbraw/zinc/42/25/18/1067422518.db2.gz NPBWEDVMIUTQOL-GJZGRUSLSA-N 0 3 451.283 3.455 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)C[C@@H](C)C3)n2C[C@@H]2CCCN2CCCO)cc1C ZINC001304379874 1067426341 /nfs/dbraw/zinc/42/63/41/1067426341.db2.gz VPPDXYWZODAAER-PWHSHALESA-N 0 3 468.646 3.476 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCN(CC(C)C)CC3)n2C[C@@]2(O)CCC[C@H]2C)cc1C ZINC001304381554 1067429700 /nfs/dbraw/zinc/42/97/00/1067429700.db2.gz AATCMIBAOTUWSU-RLWLMLJZSA-N 0 3 468.646 3.476 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCN(C[C@@H]4CCOC4)CC3)n2CCSC(C)C)cc1C ZINC001304381609 1067429771 /nfs/dbraw/zinc/42/97/71/1067429771.db2.gz BYNIZUSMRKVWQR-NRFANRHFSA-N 0 3 486.686 3.447 20 0 JGADHN Cc1nccn1CCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(C)C)CC1 ZINC001304385277 1067437597 /nfs/dbraw/zinc/43/75/97/1067437597.db2.gz YETKGZCARMCZMV-UHFFFAOYSA-N 0 3 464.618 3.273 20 0 JGADHN Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(C(C)(C)C)n3CCN3CCN(C)C(C)(C)C3)C2)nc1 ZINC001304386304 1067440460 /nfs/dbraw/zinc/44/04/60/1067440460.db2.gz CXEJNMPFCHXGJG-NRFANRHFSA-N 0 3 496.704 3.160 20 0 JGADHN C[C@@H]1CN(C2CCOCC2)CCN1c1nnc([C@H]2CCCCO2)n1CCSC(F)(F)F ZINC001302865704 1067446682 /nfs/dbraw/zinc/44/66/82/1067446682.db2.gz DSVMDSQAPPAYEH-NVXWUHKLSA-N 0 3 463.570 3.462 20 0 JGADHN C[C@@H]1CN(C2CCOCC2)CCN1c1nnc(Cc2ccc(F)cc2)n1CCCOCC(F)F ZINC001302866395 1067447437 /nfs/dbraw/zinc/44/74/37/1067447437.db2.gz NQKADPCTDYGJMR-GOSISDBHSA-N 0 3 481.563 3.369 20 0 JGADHN CC(C)Cc1nnc(N2CC[C@@H](Cc3ccccc3)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001302888504 1067468323 /nfs/dbraw/zinc/46/83/23/1067468323.db2.gz BHNJEKLIYUWKDA-ZEQRLZLVSA-N 0 3 466.674 3.488 20 0 JGADHN CC(C)Cc1nnc(N2CCC(N3CCCNC3=O)CC2)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001302896236 1067476900 /nfs/dbraw/zinc/47/69/00/1067476900.db2.gz FIBYBZBFFDRWTK-QFIPXVFZSA-N 0 3 471.625 3.303 20 0 JGADHN Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CCCN2CCCC[C@H]2C)cc1C ZINC001304411387 1067479126 /nfs/dbraw/zinc/47/91/26/1067479126.db2.gz SWFMCVCJULDQRS-GGAORHGYSA-N 0 3 489.686 3.362 20 0 JGADHN Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CCCN2CCCC[C@H]2C)cc1C ZINC001304411386 1067479274 /nfs/dbraw/zinc/47/92/74/1067479274.db2.gz SWFMCVCJULDQRS-FYYLOGMGSA-N 0 3 489.686 3.362 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2CC2(N(C)C)CCCC2)cc1 ZINC001304413338 1067482869 /nfs/dbraw/zinc/48/28/69/1067482869.db2.gz SAAINFUZYFHWDJ-UHFFFAOYSA-N 0 3 475.659 3.053 20 0 JGADHN C[C@H]1CN(C2CCOCC2)CCN1c1nnc(COc2ccc(Cl)cc2)n1CCOCC(F)F ZINC001302901592 1067485559 /nfs/dbraw/zinc/48/55/59/1067485559.db2.gz MPXNDYWCAVZJQR-KRWDZBQOSA-N 0 3 499.990 3.482 20 0 JGADHN C[C@H]1CN(C2CCOCC2)CCN1c1nnc([C@@H]2CCCOC2)n1CC(C)(C)C(F)(F)F ZINC001302902106 1067486498 /nfs/dbraw/zinc/48/64/98/1067486498.db2.gz CLAJZIBIIHPSHV-DLBZAZTESA-N 0 3 459.557 3.450 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(CC4CCOCC4)CC3)n2C[C@](C)(O)C(C)C)cc1C ZINC001304420354 1067495837 /nfs/dbraw/zinc/49/58/37/1067495837.db2.gz UIDDJOGMCWATLW-MHZLTWQESA-N 0 3 485.673 3.430 20 0 JGADHN Cc1ccc(OCCN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C(C)C)N2CCCC2)cc1 ZINC001304429565 1067507026 /nfs/dbraw/zinc/50/70/26/1067507026.db2.gz QUALIODSFLSCPI-GGAORHGYSA-N 0 3 489.686 3.124 20 0 JGADHN CC(C)Cc1nnc(N2CCCO[C@@H](c3ccccc3)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001302937060 1067510329 /nfs/dbraw/zinc/51/03/29/1067510329.db2.gz HYWREIKTLPNODG-BJKOFHAPSA-N 0 3 482.673 3.387 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001302939221 1067513121 /nfs/dbraw/zinc/51/31/21/1067513121.db2.gz CURVCPXZAOHPOC-UHFFFAOYSA-N 0 3 468.646 3.267 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C(=O)c3ccccc3[O-])CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001302940200 1067514151 /nfs/dbraw/zinc/51/41/51/1067514151.db2.gz WENQXEXPMPQDPX-NRFANRHFSA-N 0 3 468.646 3.267 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCc1ccccc1Cl ZINC001302942971 1067516347 /nfs/dbraw/zinc/51/63/47/1067516347.db2.gz BACBEXSZMUXXGU-UHFFFAOYSA-N 0 3 459.038 3.117 20 0 JGADHN Cc1ccc(SCc2nnc(N3CCN(C(C)C)CC3)n2CCN2CCSCC2)cc1 ZINC001304438501 1067518299 /nfs/dbraw/zinc/51/82/99/1067518299.db2.gz XTDZAAVPCXNMLF-UHFFFAOYSA-N 0 3 460.717 3.458 20 0 JGADHN CC(C)Cc1nnc(N2CCN(CC(C)C)C(=O)[C@@H]2C)n1CCCN1CCN(c2ccccc2)CC1 ZINC001302959159 1067531121 /nfs/dbraw/zinc/53/11/21/1067531121.db2.gz PGOFDYIOCRZRPA-DEOSSOPVSA-N 0 3 495.716 3.382 20 0 JGADHN Fc1cc(Cl)ccc1-c1nnc(N2CCN(CC(F)F)CC2)n1CCN1CC=CCC1 ZINC001302962102 1067533717 /nfs/dbraw/zinc/53/37/17/1067533717.db2.gz XDWSNMMJJHOSDL-UHFFFAOYSA-N 0 3 454.928 3.387 20 0 JGADHN CC(C)Cc1nnc(N2CCN(CC(F)F)CC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001302962189 1067533778 /nfs/dbraw/zinc/53/37/78/1067533778.db2.gz VPNFJFHWVGLAQQ-QFIPXVFZSA-N 0 3 476.616 3.155 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C[C@@H]3CCCO3)CC2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001302964801 1067534898 /nfs/dbraw/zinc/53/48/98/1067534898.db2.gz JLSKXIVTPMUHIS-GOTSBHOMSA-N 0 3 458.626 3.220 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1Cc1ccc(OC(F)F)c(F)c1 ZINC001302964968 1067534982 /nfs/dbraw/zinc/53/49/82/1067534982.db2.gz LUAZFRGNMJKZKB-GOSISDBHSA-N 0 3 467.536 3.424 20 0 JGADHN CC(C)Cc1nnc(N2CCN(CCN(C)Cc3ccccc3)CC2)n1C[C@H]1CCOC[C@@H]1C ZINC001302966187 1067536328 /nfs/dbraw/zinc/53/63/28/1067536328.db2.gz OFIDFIOKQMORNC-UKILVPOCSA-N 0 3 468.690 3.403 20 0 JGADHN CC(C)CC[C@@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC001303002776 1067560351 /nfs/dbraw/zinc/56/03/51/1067560351.db2.gz HAEOLMLCHARMEU-UXIGSVSMSA-N 0 3 462.683 3.304 20 0 JGADHN Cc1cccc(-c2nnc(N3CCN(C[C@H]4CCOC4)CC3)n2CCCN(C)C(=O)OC(C)(C)C)n1 ZINC001304480949 1067560711 /nfs/dbraw/zinc/56/07/11/1067560711.db2.gz WDIBOONFZLGFRP-OAQYLSRUSA-N 0 3 499.660 3.064 20 0 JGADHN Cc1cccc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CCN2CC=CCC2)n1 ZINC001304484465 1067563621 /nfs/dbraw/zinc/56/36/21/1067563621.db2.gz KFJBGCOTFXJCMY-IBGZPJMESA-N 0 3 453.591 3.014 20 0 JGADHN CC(C)CC[C@@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001303017705 1067571158 /nfs/dbraw/zinc/57/11/58/1067571158.db2.gz UTHZYIVEXBJTIX-HFZDXXHNSA-N 0 3 470.662 3.141 20 0 JGADHN CC(C)CCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001303040085 1067585169 /nfs/dbraw/zinc/58/51/69/1067585169.db2.gz GCGIZMHNBNOTNQ-JOCHJYFZSA-N 0 3 472.609 3.175 20 0 JGADHN CC(C)CCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001303041059 1067585883 /nfs/dbraw/zinc/58/58/83/1067585883.db2.gz NJBCWXNETZNQSV-NRFANRHFSA-N 0 3 472.609 3.175 20 0 JGADHN Cc1cccc(OCc2nnc(N3CCN(CC(C)C)CC3)n2CCn2cc(Cl)cn2)c1 ZINC001304511596 1067587527 /nfs/dbraw/zinc/58/75/27/1067587527.db2.gz GFZIVYZWNFJSIN-UHFFFAOYSA-N 0 3 458.010 3.494 20 0 JGADHN CC(C)CCN(C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CCN1CCN(C)C(C)(C)C1 ZINC001303047952 1067589702 /nfs/dbraw/zinc/58/97/02/1067589702.db2.gz OFZNPYJSVOYTHC-UHFFFAOYSA-N 0 3 466.634 3.102 20 0 JGADHN Cc1cccc2c(CCn3c(C(=O)NC(C)C)nnc3N3CCN(CC(C)C)CC3)c[nH]c21 ZINC001304519238 1067594560 /nfs/dbraw/zinc/59/45/60/1067594560.db2.gz YWPUEIGRNCHUGR-UHFFFAOYSA-N 0 3 451.619 3.227 20 0 JGADHN O=C(c1nnc(N2CCN(CC3CCCCC3)CC2)n1CCSC(F)(F)F)N1CCCC1 ZINC001303062263 1067598072 /nfs/dbraw/zinc/59/80/72/1067598072.db2.gz MWLYBRCLNCODRW-UHFFFAOYSA-N 0 3 474.597 3.469 20 0 JGADHN Cc1ccccc1-c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H](N1CCOCC1)C(F)(F)F ZINC001304537370 1067608690 /nfs/dbraw/zinc/60/86/90/1067608690.db2.gz OYQHRPZVRZWAHS-HXUWFJFHSA-N 0 3 480.579 3.437 20 0 JGADHN Cc1ccccc1Cc1nnc(N(C)CCS(C)(=O)=O)n1C[C@@H]1CCCN(CC(C)C)C1 ZINC001304549096 1067618109 /nfs/dbraw/zinc/61/81/09/1067618109.db2.gz DCPDZDOANHRDIP-OAQYLSRUSA-N 0 3 461.676 3.026 20 0 JGADHN Cc1ccccc1CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@H](C)C[C@H](C)C1 ZINC001304567266 1067635376 /nfs/dbraw/zinc/63/53/76/1067635376.db2.gz GIYBVZGTALRINF-ZRCGQRJVSA-N 0 3 473.687 3.493 20 0 JGADHN CC1=CCN(c2nnc(COc3ccc(F)cc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001304599105 1067662531 /nfs/dbraw/zinc/66/25/31/1067662531.db2.gz OQMYSIBUJOWRPX-JOCHJYFZSA-N 0 3 470.593 3.095 20 0 JGADHN Cc1csc(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCN(C(C)(C)C)CC2)n1 ZINC001304630551 1067701082 /nfs/dbraw/zinc/70/10/82/1067701082.db2.gz HHYCXMAYODAIFN-UHFFFAOYSA-N 0 3 474.656 3.082 20 0 JGADHN CC(C)CN1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001303176684 1067709666 /nfs/dbraw/zinc/70/96/66/1067709666.db2.gz DWMYXGWZUKPPFO-IPMKNSEASA-N 0 3 491.624 3.327 20 0 JGADHN CC(C)CN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(c2)[C@H](C)[C@H](C)O3)CC1 ZINC001303178584 1067712101 /nfs/dbraw/zinc/71/21/01/1067712101.db2.gz PUUOVCSTKKEFLI-MOPGFXCFSA-N 0 3 454.619 3.127 20 0 JGADHN CC(C)CN1CCC[C@H](Cn2c(CCc3ccccc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001303179459 1067713695 /nfs/dbraw/zinc/71/36/95/1067713695.db2.gz WFSZEVMIJMGIAX-XZOQPEGZSA-N 0 3 473.687 3.055 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CC[C@H](F)C2)CC1 ZINC001303183636 1067716537 /nfs/dbraw/zinc/71/65/37/1067716537.db2.gz FRVHXIOYYZOVSS-QUCCMNQESA-N 0 3 463.623 3.265 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C[C@H]2NC(=O)CC2(C)C)CC1 ZINC001303184743 1067718591 /nfs/dbraw/zinc/71/85/91/1067718591.db2.gz NVJSHTCBDLPEIU-GHTZIAJQSA-N 0 3 472.609 3.250 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001303191845 1067726053 /nfs/dbraw/zinc/72/60/53/1067726053.db2.gz IVDDCPNCMIIADG-NHCUHLMSSA-N 0 3 476.666 3.207 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@@H]3CCCCO3)n2CCN(C)Cc2ccc(F)cc2)[C@H](C)C1=O ZINC001303192606 1067726996 /nfs/dbraw/zinc/72/69/96/1067726996.db2.gz WRROGCXAQWQAAQ-OFNKIYASSA-N 0 3 486.636 3.484 20 0 JGADHN CC(C)CN1CCN(c2nnc(Cc3ccccc3F)n2CCCN2CCCCC2=O)CC1 ZINC001303195264 1067728458 /nfs/dbraw/zinc/72/84/58/1067728458.db2.gz DYAVAWHCGHZAGG-UHFFFAOYSA-N 0 3 456.610 3.189 20 0 JGADHN CC(C)CN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCC(=O)NC(C)C)CC1 ZINC001303196607 1067730804 /nfs/dbraw/zinc/73/08/04/1067730804.db2.gz WWVNKRIVSBMZFG-UHFFFAOYSA-N 0 3 451.619 3.043 20 0 JGADHN CC(C)CN1CCN(c2nnc(Cc3cccnc3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 ZINC001303196650 1067730922 /nfs/dbraw/zinc/73/09/22/1067730922.db2.gz OHZPVYYLMIZKSI-VWLOTQADSA-N 0 3 452.578 3.089 20 0 JGADHN CC(C)CN1CCN(c2nnc(CCc3ccccc3)n2CCC(=O)N2CCCCC2)CC1 ZINC001303196844 1067731284 /nfs/dbraw/zinc/73/12/84/1067731284.db2.gz YTWOPACSQFPYNR-UHFFFAOYSA-N 0 3 452.647 3.244 20 0 JGADHN CC(C)CN1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(N(C)C)nc2)CC1 ZINC001303197674 1067732690 /nfs/dbraw/zinc/73/26/90/1067732690.db2.gz SVFCCOCFFXLGOR-UHFFFAOYSA-N 0 3 451.594 3.295 20 0 JGADHN CC(C)CN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CC(F)(F)CO2)CC1 ZINC001303198723 1067734092 /nfs/dbraw/zinc/73/40/92/1067734092.db2.gz JNIJZMUXLGAYQN-KRWDZBQOSA-N 0 3 453.509 3.198 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)NC2CCCCC2)CC1 ZINC001303198878 1067734508 /nfs/dbraw/zinc/73/45/08/1067734508.db2.gz NYHRLQGHENYARL-FYYLOGMGSA-N 0 3 474.694 3.424 20 0 JGADHN Cc1nc(Cc2nnc(N3CCC[C@@H](CNC(=O)C(C)(C)C)C3)n2CCN2CC=CCC2)cs1 ZINC001304668342 1067736232 /nfs/dbraw/zinc/73/62/32/1067736232.db2.gz CRNCEXOQWSXMPI-FQEVSTJZSA-N 0 3 485.702 3.274 20 0 JGADHN Cc1nc(Cc2nnc(N3CCN(CC(C)C)CC3)n2C[C@@H](c2ccco2)N(C)C)cs1 ZINC001304669340 1067737352 /nfs/dbraw/zinc/73/73/52/1067737352.db2.gz HEARFEOXLOEYPN-FQEVSTJZSA-N 0 3 457.648 3.308 20 0 JGADHN Cc1nc(Cc2nnc(N3CCN(CC(C)C)C(=O)[C@@H]3C)n2CCN(C)Cc2ccccc2)cs1 ZINC001304669698 1067738190 /nfs/dbraw/zinc/73/81/90/1067738190.db2.gz ILNFXKSAXLRUOC-FQEVSTJZSA-N 0 3 495.697 3.459 20 0 JGADHN Cc1nc(Cc2nnc(N3CCN(C(C)(C)C)CC3)n2CCNC(=O)c2cccs2)cs1 ZINC001304673609 1067743479 /nfs/dbraw/zinc/74/34/79/1067743479.db2.gz YNCCJKPIQDQLNE-UHFFFAOYSA-N 0 3 473.672 3.046 20 0 JGADHN CC(C)COC(=O)N1CCN(c2nnc(Cc3ccccc3F)n2CCN2CC=CCC2)CC1 ZINC001303216023 1067753038 /nfs/dbraw/zinc/75/30/38/1067753038.db2.gz OCEFCPLZNQBFFQ-UHFFFAOYSA-N 0 3 470.593 3.185 20 0 JGADHN CC(C)COC(=O)N1CCN(c2nnc(Cc3cccnc3)n2C[C@H](c2ccccc2)N(C)C)CC1 ZINC001303216499 1067753518 /nfs/dbraw/zinc/75/35/18/1067753518.db2.gz SOWZUSQMSPZKFC-XMMPIXPASA-N 0 3 491.640 3.481 20 0 JGADHN Cc1ncc(CN(C)c2nnc(CN3CCCC3=O)n2C[C@H](c2ccccc2)N(C)C)s1 ZINC001304693179 1067766236 /nfs/dbraw/zinc/76/62/36/1067766236.db2.gz GORZLMWMPBKLNL-HXUWFJFHSA-N 0 3 453.616 3.105 20 0 JGADHN CC(C)CSCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001303241476 1067770441 /nfs/dbraw/zinc/77/04/41/1067770441.db2.gz KEBZFCVOIUQQLD-UHFFFAOYSA-N 0 3 487.674 3.006 20 0 JGADHN CC(C)N(C)C(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2ccsc2)N(C)C)CC1 ZINC001303252274 1067778585 /nfs/dbraw/zinc/77/85/85/1067778585.db2.gz PJPXPFRUUSLVLB-OAQYLSRUSA-N 0 3 484.674 3.126 20 0 JGADHN CC(C)N(C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC001303268159 1067795826 /nfs/dbraw/zinc/79/58/26/1067795826.db2.gz BUXNRDLDNGQHOS-FQEVSTJZSA-N 0 3 470.593 3.093 20 0 JGADHN CC(C)N(C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001303276981 1067804739 /nfs/dbraw/zinc/80/47/39/1067804739.db2.gz QFCAQFNFPVXRJA-IBGZPJMESA-N 0 3 481.519 3.479 20 0 JGADHN CC(C)N(CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)C(C)C ZINC001303296829 1067820400 /nfs/dbraw/zinc/82/04/00/1067820400.db2.gz LMKNEGSXMGJOBO-FQEVSTJZSA-N 0 3 468.067 3.264 20 0 JGADHN CC(C)N1CCC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(F)c(F)c2)C1 ZINC001303304298 1067831088 /nfs/dbraw/zinc/83/10/88/1067831088.db2.gz NCGYNCQEWZRRRJ-RTBURBONSA-N 0 3 481.613 3.215 20 0 JGADHN CC(C)N1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(F)c(F)c2)C1 ZINC001303304297 1067831309 /nfs/dbraw/zinc/83/13/09/1067831309.db2.gz NCGYNCQEWZRRRJ-RBUKOAKNSA-N 0 3 481.613 3.215 20 0 JGADHN CC(C)N1CCN([C@H]2CCN(c3nnc(CC(C)(C)C)n3C[C@@](C)(O)c3ccsc3)C2)CC1 ZINC001303317768 1067847695 /nfs/dbraw/zinc/84/76/95/1067847695.db2.gz CRCCYECCGBKRBJ-SQJMNOBHSA-N 0 3 474.719 3.441 20 0 JGADHN CC(C)N1CCN([C@H]2CCN(c3nnc(Cc4ccccn4)n3CCSC(F)(F)F)C2)CC1 ZINC001303317938 1067847970 /nfs/dbraw/zinc/84/79/70/1067847970.db2.gz FYZLHTDGVDTXRO-IBGZPJMESA-N 0 3 483.608 3.122 20 0 JGADHN CC(C)N1CCN([C@@H]2CCN(c3nnc(CC4CC4)n3C[C@@H](C)N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001303318218 1067848534 /nfs/dbraw/zinc/84/85/34/1067848534.db2.gz LJJUEOIJWVSHTI-IFMALSPDSA-N 0 3 489.709 3.091 20 0 JGADHN CC(C)N1CCN([C@H]2CCN(c3nnc(Cc4cccnc4)n3CCSC(F)(F)F)C2)CC1 ZINC001303318354 1067849090 /nfs/dbraw/zinc/84/90/90/1067849090.db2.gz PHFKASPEJJQYCK-IBGZPJMESA-N 0 3 483.608 3.122 20 0 JGADHN CC(C)N1CCN([C@H]2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCN(CC(F)(F)F)C3)C2)CC1 ZINC001303318686 1067850582 /nfs/dbraw/zinc/85/05/82/1067850582.db2.gz YIYMBSLRDANRGO-RTWAWAEBSA-N 0 3 499.670 3.356 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N3CCOC(C)(C)[C@H]3C)n2C[C@H](c2ccccc2)N(C)C)n1 ZINC001304763033 1067850975 /nfs/dbraw/zinc/85/09/75/1067850975.db2.gz NPGVQTJFRYBEJN-IFMALSPDSA-N 0 3 451.619 3.446 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@H](c2cccc(F)c2)N(C)C)n1 ZINC001304763701 1067852333 /nfs/dbraw/zinc/85/23/33/1067852333.db2.gz RJSJRVUXXQNOLA-PKTZIBPZSA-N 0 3 469.609 3.443 20 0 JGADHN Cc1cc(C)n(CCCn2c(N3CC[C@H](N4CCN(C(C)C)CC4)C3)nnc2C(C)(C)C)n1 ZINC001304773076 1067866030 /nfs/dbraw/zinc/86/60/30/1067866030.db2.gz GAFDXGSFHBOJBR-QFIPXVFZSA-N 0 3 456.683 3.084 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CCCSc1ccccc1 ZINC001303372455 1067901834 /nfs/dbraw/zinc/90/18/34/1067901834.db2.gz LLNLUQIPJLOBMA-QFIPXVFZSA-N 0 3 499.729 3.203 20 0 JGADHN Cc1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CCCNc1ccc(C(F)(F)F)cn1 ZINC001304856522 1067906412 /nfs/dbraw/zinc/90/64/12/1067906412.db2.gz QFCBKNXNKYXBAX-MRXNPFEDSA-N 0 3 467.540 3.192 20 0 JGADHN Cc1nnc(N2CCN(C3Cc4ccccc4C3)CC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C ZINC001304856003 1067906487 /nfs/dbraw/zinc/90/64/87/1067906487.db2.gz JZBXUAOLJYOHCX-SFHVURJKSA-N 0 3 454.619 3.037 20 0 JGADHN Cc1nnc(N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)n1C[C@@H](c1cccs1)N(C)C ZINC001304859814 1067909703 /nfs/dbraw/zinc/90/97/03/1067909703.db2.gz QYHLEUPXFZTIOH-IBGZPJMESA-N 0 3 459.019 3.453 20 0 JGADHN Cc1nnc(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001304867521 1067912180 /nfs/dbraw/zinc/91/21/80/1067912180.db2.gz QZSCLIZHHYBQRF-NHCUHLMSSA-N 0 3 494.562 3.126 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCCN(Cc3ccccc3)CC2)n1CC[C@@H]1CCCCO1 ZINC001303399339 1067927643 /nfs/dbraw/zinc/92/76/43/1067927643.db2.gz ZZUDEBSBHHQAGG-QFIPXVFZSA-N 0 3 454.619 3.088 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCN(c3cc(F)cc(F)c3)CC2)n1CCN1CCCC(C)(C)C1 ZINC001303402475 1067930818 /nfs/dbraw/zinc/93/08/18/1067930818.db2.gz LCTMHCYWRXZOQS-UHFFFAOYSA-N 0 3 489.615 3.143 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3F)CC2)n1C[C@@H]1N(C)CCCC1(C)C ZINC001303404270 1067933000 /nfs/dbraw/zinc/93/30/00/1067933000.db2.gz RJNUEOIMXPLHSG-NRFANRHFSA-N 0 3 471.625 3.002 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1C[C@@H](c1ccco1)N(C)C ZINC001303408222 1067935286 /nfs/dbraw/zinc/93/52/86/1067935286.db2.gz PUPKKMGPKCSMGN-IRLDBZIGSA-N 0 3 479.629 3.023 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCN(CCN(C)Cc3ccccc3)CC2)n1CC1(C)CCCC1 ZINC001303410620 1067936946 /nfs/dbraw/zinc/93/69/46/1067936946.db2.gz WEMRCHRJGMSJNB-UHFFFAOYSA-N 0 3 481.689 3.251 20 0 JGADHN C[C@@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001304907564 1067950977 /nfs/dbraw/zinc/95/09/77/1067950977.db2.gz RJNCPUKRRGDATG-BRKWEVRTSA-N 0 3 486.636 3.306 20 0 JGADHN C[C@@H]1c2cc(F)cc(F)c2CCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN(C)C ZINC001304911641 1067955370 /nfs/dbraw/zinc/95/53/70/1067955370.db2.gz KXBLCKYRJYXGIH-HZPDHXFCSA-N 0 3 481.613 3.170 20 0 JGADHN CC(C)NC(=O)CN(C)c1nnc(Cc2ccccc2F)n1C[C@@H](c1ccco1)N1CCCC1 ZINC001303440727 1067962891 /nfs/dbraw/zinc/96/28/91/1067962891.db2.gz JAQIBKISQSFOGF-NRFANRHFSA-N 0 3 468.577 3.399 20 0 JGADHN CC(C)[C@H]1CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@H](C)C[C@H](C)C1 ZINC001304928481 1067976170 /nfs/dbraw/zinc/97/61/70/1067976170.db2.gz OARMKMBQERHZIH-PLACYPQZSA-N 0 3 451.681 3.173 20 0 JGADHN C[C@H]1C[C@@H](CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCN(C(C)(C)C)CC2)CCO1 ZINC001304933482 1067982420 /nfs/dbraw/zinc/98/24/20/1067982420.db2.gz SQMKLSODUAZKEX-PMACEKPBSA-N 0 3 489.686 3.474 20 0 JGADHN C[C@@H]1C[C@@H](CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CC(F)(F)F)CN1Cc1ccccc1 ZINC001304938995 1067988216 /nfs/dbraw/zinc/98/82/16/1067988216.db2.gz PMBIZSPXQJBPLQ-RLLQIKCJSA-N 0 3 499.603 3.479 20 0 JGADHN C[C@H]1C[C@@H](Cn2c(CC(C)(C)C)nnc2N(C)C2CCN(CCn3cccn3)CC2)CCO1 ZINC001304939629 1067989298 /nfs/dbraw/zinc/98/92/98/1067989298.db2.gz AICLKAHHVWPVJK-SFTDATJTSA-N 0 3 457.667 3.479 20 0 JGADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)CC[C@@H]2C)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001304957280 1068002875 /nfs/dbraw/zinc/00/28/75/1068002875.db2.gz DIXVSTISKULZCQ-HSALFYBXSA-N 0 3 488.702 3.350 20 0 JGADHN CC(C)O[C@]1(c2nnc(N(C)CC3CCOCC3)n2C[C@H](c2ccccc2)N(C)C)CCOC1 ZINC001303484302 1068007641 /nfs/dbraw/zinc/00/76/41/1068007641.db2.gz OQIDMWHHNDQPOW-ZEQKJWHPSA-N 0 3 471.646 3.484 20 0 JGADHN CC(C)O[C@]1(c2nnc(N3CCN(C4CCC(C)CC4)CC3)n2CCOCC(F)F)CCOC1 ZINC001304980485 1068019728 /nfs/dbraw/zinc/01/97/28/1068019728.db2.gz MVUITXPEVPVDAA-ZSHKSDETSA-N 0 3 485.620 3.301 20 0 JGADHN C[C@@H]1CCC[C@](Cn2c(CC3CC3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)(N(C)C)C1 ZINC001304983484 1068025613 /nfs/dbraw/zinc/02/56/13/1068025613.db2.gz DYAKSHXKQYPXOT-XQFWAAQXSA-N 0 3 451.681 3.145 20 0 JGADHN CC(C)O[C@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2CCN(C)C(=O)OC(C)(C)C)CCOC1 ZINC001303500566 1068027955 /nfs/dbraw/zinc/02/79/55/1068027955.db2.gz BMCPIOQGBTYKAB-RUZDIDTESA-N 0 3 494.681 3.106 20 0 JGADHN CC(C)O[C@]1(c2nnc(N3CCC[C@@H](C(C)C)C3)n2CCN2CCN(C)C(C)(C)C2)CCOC1 ZINC001303502263 1068031864 /nfs/dbraw/zinc/03/18/64/1068031864.db2.gz MDZVWGTYBJVEMF-ATIYNZHBSA-N 0 3 476.710 3.217 20 0 JGADHN C[C@@H]1CCC[C@@](Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@H](S(C)(=O)=O)C2)(N(C)C)C1 ZINC001304990336 1068032589 /nfs/dbraw/zinc/03/25/89/1068032589.db2.gz ULQAILWWNOIZTB-NXMSCROESA-N 0 3 495.640 3.281 20 0 JGADHN CC(C)O[C@@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@H]2CCCSC2)CCOC1 ZINC001303504618 1068037101 /nfs/dbraw/zinc/03/71/01/1068037101.db2.gz XAFSLGLMNSKXJA-CVDCTZTESA-N 0 3 451.681 3.382 20 0 JGADHN CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@@H](c2ccccc2)N(C)C)CCOC1 ZINC001303507306 1068041500 /nfs/dbraw/zinc/04/15/00/1068041500.db2.gz UIAVXWLZOHWNHM-MIZPHKNDSA-N 0 3 497.562 3.389 20 0 JGADHN C[C@H]1CCCCN1CCCn1c(COc2ccc(Cl)cc2)nnc1N1CCS(=O)(=O)CC1 ZINC001305017272 1068061214 /nfs/dbraw/zinc/06/12/14/1068061214.db2.gz CXMAKEIZJPNRSA-SFHVURJKSA-N 0 3 482.050 3.010 20 0 JGADHN C[C@@H]1CCCN(C(C)(C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001305017598 1068061503 /nfs/dbraw/zinc/06/15/03/1068061503.db2.gz FMMPZDVSQMQPKB-VAMGGRTRSA-N 0 3 483.723 3.188 20 0 JGADHN C[C@@H]1CCCCN1CCCn1c(-c2cccc(Br)c2)nnc1N1CCS(=O)(=O)CC1 ZINC001305019732 1068066072 /nfs/dbraw/zinc/06/60/72/1068066072.db2.gz RPNMLWZRLMEPBV-QGZVFWFLSA-N 0 3 496.475 3.207 20 0 JGADHN CC(C)NC(=O)c1nnc(N(C)Cc2cnn(Cc3ccccc3)c2)n1CCN1CCC[C@@H](C)C1 ZINC001305041128 1068095899 /nfs/dbraw/zinc/09/58/99/1068095899.db2.gz BJVIXZDCJMJLAX-OAQYLSRUSA-N 0 3 478.645 3.029 20 0 JGADHN CC(C)SCCn1c([C@H]2CCCOC2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001303579402 1068103946 /nfs/dbraw/zinc/10/39/46/1068103946.db2.gz VHNOIJGOKZAMHL-FQEVSTJZSA-N 0 3 461.680 3.111 20 0 JGADHN C[C@H]1CCCN1CCn1c(C(=O)N2CCCC2)nnc1N(C)CCOc1ccccc1Cl ZINC001305062133 1068128856 /nfs/dbraw/zinc/12/88/56/1068128856.db2.gz XALXMRRTBJKRBU-SFHVURJKSA-N 0 3 461.010 3.167 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3ccccc3F)C2)n1C[C@@H](C)N1CCC(C)CC1 ZINC001305063358 1068132200 /nfs/dbraw/zinc/13/22/00/1068132200.db2.gz HQGWTNFSOJXKKA-DENIHFKCSA-N 0 3 472.609 3.254 20 0 JGADHN C[C@H](c1cccc(O)c1)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1cccs1)N(C)C ZINC001303602711 1068133165 /nfs/dbraw/zinc/13/31/65/1068133165.db2.gz OZOXPKKHLFYMBC-MNEFBYGVSA-N 0 3 454.600 3.497 20 0 JGADHN C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)N1CCC(C)CC1 ZINC001305063987 1068134655 /nfs/dbraw/zinc/13/46/55/1068134655.db2.gz JSNAHHKETJYIKJ-RTBURBONSA-N 0 3 486.583 3.182 20 0 JGADHN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(-c2ccccn2)n1CCN1CCN(C)C(C)(C)C1 ZINC001303605605 1068138844 /nfs/dbraw/zinc/13/88/44/1068138844.db2.gz ZMBDKDQOUBEQLY-NVXHTHCOSA-N 0 3 495.697 3.301 20 0 JGADHN CC1CCN(CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C2CCCCC2)CC1 ZINC001305102368 1068168439 /nfs/dbraw/zinc/16/84/39/1068168439.db2.gz RMKBOVZSXOXOOV-FQEVSTJZSA-N 0 3 451.681 3.461 20 0 JGADHN CC(C)c1nnc(N2CCN(C(=O)c3ccccc3[O-])CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001305103601 1068171027 /nfs/dbraw/zinc/17/10/27/1068171027.db2.gz JNTXIHAKJOSQSZ-UHFFFAOYSA-N 0 3 454.619 3.192 20 0 JGADHN CC1CC[NH+](CCCn2c(-c3ccccn3)nnc2N2CCC(C[N-]C(=O)C(F)(F)F)CC2)CC1 ZINC001305104188 1068172032 /nfs/dbraw/zinc/17/20/32/1068172032.db2.gz BCTMXKFFAMCHKS-UHFFFAOYSA-N 0 3 493.578 3.357 20 0 JGADHN C[C@@H](CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)N1CCCCC1 ZINC001303665876 1068199387 /nfs/dbraw/zinc/19/93/87/1068199387.db2.gz GSQIEGARRBZFGH-SIKLNZKXSA-N 0 3 493.649 3.274 20 0 JGADHN C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Br)cc2Cl)n1CCN1CC=CCC1 ZINC001305120756 1068202576 /nfs/dbraw/zinc/20/25/76/1068202576.db2.gz XFPZYHNYFYZCQX-HNNXBMFYSA-N 0 3 493.837 3.290 20 0 JGADHN C[C@H](CCn1c(CCCc2ccccc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)N1CCCCC1 ZINC001303668344 1068203045 /nfs/dbraw/zinc/20/30/45/1068203045.db2.gz ZESPFXICTHLAMP-GGAORHGYSA-N 0 3 473.687 3.341 20 0 JGADHN C[C@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCC(F)(F)F)N(C)Cc1ccccc1 ZINC001303669908 1068204538 /nfs/dbraw/zinc/20/45/38/1068204538.db2.gz WKSWSRXJFXXIBF-IEBWSBKVSA-N 0 3 487.592 3.479 20 0 JGADHN C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2ccccn2)nnc1N1CCN(CC2CC2)CC1 ZINC001303671671 1068205832 /nfs/dbraw/zinc/20/58/32/1068205832.db2.gz GKNOZSYOQUOWLI-LJQANCHMSA-N 0 3 469.634 3.375 20 0 JGADHN C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2N(C)CCCC2(C)C)C[C@H](C(F)(F)F)O1 ZINC001305123538 1068208303 /nfs/dbraw/zinc/20/83/03/1068208303.db2.gz GVPVOSYFNZVHSS-IXDOHACOSA-N 0 3 495.550 3.202 20 0 JGADHN C[C@H]1CN(c2nnc(-c3cc(Br)cn3C)n2CCN2CC=CCC2)CCS1 ZINC001305133582 1068220005 /nfs/dbraw/zinc/22/00/05/1068220005.db2.gz OYFXWSBFCKZRJO-HNNXBMFYSA-N 0 3 451.438 3.250 20 0 JGADHN C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCC2)CC1)Sc1ccccc1 ZINC001303688886 1068228209 /nfs/dbraw/zinc/22/82/09/1068228209.db2.gz PQKGJGDAHNDGMS-OALUTQOASA-N 0 3 492.715 3.134 20 0 JGADHN C[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN(C)C2CCCC2)CC(C)(C)O1 ZINC001305144259 1068243823 /nfs/dbraw/zinc/24/38/23/1068243823.db2.gz OCUAMUKSUOQGLQ-SFHVURJKSA-N 0 3 475.659 3.227 20 0 JGADHN C[C@@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)N(C)C ZINC001303721871 1068271152 /nfs/dbraw/zinc/27/11/52/1068271152.db2.gz IQUKQPHAPPKRQV-KBXCAEBGSA-N 0 3 467.492 3.089 20 0 JGADHN C[C@H](CN1CCCC1)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1cc(F)ccc1F ZINC001303744352 1068304528 /nfs/dbraw/zinc/30/45/28/1068304528.db2.gz HINUXJAISMVTOK-KURKYZTESA-N 0 3 481.613 3.388 20 0 JGADHN C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCN2CCN(C)C(C)(C)C2)C[C@H](C(F)(F)F)O1 ZINC001305190135 1068310454 /nfs/dbraw/zinc/31/04/54/1068310454.db2.gz DWISRZFSVJUGFX-FXAWDEMLSA-N 0 3 498.569 3.190 20 0 JGADHN C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCN2CC=CCC2)C[C@H](C(F)(F)F)O1 ZINC001305191750 1068314412 /nfs/dbraw/zinc/31/44/12/1068314412.db2.gz MBVZFRRERAVVCW-QFBILLFUSA-N 0 3 453.484 3.426 20 0 JGADHN C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCN(C)Cc2ccccc2)C[C@H](C)O1 ZINC001305207450 1068335047 /nfs/dbraw/zinc/33/50/47/1068335047.db2.gz GCAHJAWVKJHMHT-OALUTQOASA-N 0 3 468.627 3.015 20 0 JGADHN C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC001303790464 1068374826 /nfs/dbraw/zinc/37/48/26/1068374826.db2.gz GEVYRQRCIACMBR-KRWDZBQOSA-N 0 3 454.527 3.372 20 0 JGADHN CO[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC001303798374 1068390066 /nfs/dbraw/zinc/39/00/66/1068390066.db2.gz ANSBBSWFXNOYBP-BCMGTOKDSA-N 0 3 451.567 3.137 20 0 JGADHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CCN2CC=CCC2)C1 ZINC001303801284 1068396794 /nfs/dbraw/zinc/39/67/94/1068396794.db2.gz VIOJSEOTOUWPAX-WOJBJXKFSA-N 0 3 482.633 3.127 20 0 JGADHN C[C@H]1SCCN(c2nnc(CN3CCCC3=O)n2CCN(C)Cc2ccc(F)cc2)[C@@H]1C ZINC001305256972 1068419876 /nfs/dbraw/zinc/41/98/76/1068419876.db2.gz ILGQTSKJKACMFQ-QZTJIDSGSA-N 0 3 460.623 3.002 20 0 JGADHN C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC2CCCCC2)n1C[C@@H](c1ccccc1)N(C)C ZINC001303816398 1068428967 /nfs/dbraw/zinc/42/89/67/1068428967.db2.gz NOXIMCMVYBIPOV-RXVVDRJESA-N 0 3 462.664 3.208 20 0 JGADHN CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C)N2CCN(CC)CC2)C1 ZINC001305261972 1068432015 /nfs/dbraw/zinc/43/20/15/1068432015.db2.gz FUTUHAZZMXBINK-VQTJNVASSA-N 0 3 488.080 3.120 20 0 JGADHN C[C@H](NS(C)(=O)=O)c1nnc(N(C)OC2CCCC2)n1C[C@@H](c1cccs1)N1CCCC1 ZINC001303820213 1068436238 /nfs/dbraw/zinc/43/62/38/1068436238.db2.gz LTOHAWOETJVSHO-WMZOPIPTSA-N 0 3 482.676 3.097 20 0 JGADHN CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@H](c2cccc(OC)c2)N(C)C)C1 ZINC001305264163 1068440551 /nfs/dbraw/zinc/44/05/51/1068440551.db2.gz KORGTVNQLNOCSU-NFBKMPQASA-N 0 3 479.629 3.090 20 0 JGADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)C3(CCC3)C2)n1C[C@@H](c1cccs1)N(C)C ZINC001303832767 1068460040 /nfs/dbraw/zinc/46/00/40/1068460040.db2.gz ZXZCHDGNINMHRX-BZSNNMDCSA-N 0 3 480.704 3.269 20 0 JGADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2ccco2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001303851394 1068489067 /nfs/dbraw/zinc/48/90/67/1068489067.db2.gz FPPJDSUGAIFVBF-FFZOFVMBSA-N 0 3 490.605 3.265 20 0 JGADHN CC[C@](C)(O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001305290638 1068493838 /nfs/dbraw/zinc/49/38/38/1068493838.db2.gz ZHCDRSZDLWNFRH-DFBJGRDBSA-N 0 3 475.609 3.267 20 0 JGADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCCCC3)CC2)n1Cc1ccc(Cl)cc1F ZINC001303861047 1068500884 /nfs/dbraw/zinc/50/08/84/1068500884.db2.gz DIDFRPXCKUNLRV-MRXNPFEDSA-N 0 3 499.056 3.184 20 0 JGADHN CC[C@@](C)(O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(CC2CC2)CC1 ZINC001305295082 1068501887 /nfs/dbraw/zinc/50/18/87/1068501887.db2.gz BIZVSECNMNXCNT-JOCHJYFZSA-N 0 3 478.435 3.409 20 0 JGADHN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CCN1CCCCC1 ZINC001303906583 1068552715 /nfs/dbraw/zinc/55/27/15/1068552715.db2.gz KSLQATWNLUCBKU-QZTJIDSGSA-N 0 3 461.010 3.224 20 0 JGADHN CC[C@H](C)[C@@](C)(O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(C)C)CC1 ZINC001305329270 1068553625 /nfs/dbraw/zinc/55/36/25/1068553625.db2.gz OJXWOFJHIXPDCU-LVXARBLLSA-N 0 3 484.693 3.027 20 0 JGADHN CC[C@H](C)[C@@](C)(O)Cn1c(CCOc2ccccc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001305333961 1068563617 /nfs/dbraw/zinc/56/36/17/1068563617.db2.gz KLIAQZLFRRWVTO-XXAUWVGASA-N 0 3 485.673 3.386 20 0 JGADHN CC[C@@H](C)[C@@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001305334333 1068564440 /nfs/dbraw/zinc/56/44/40/1068564440.db2.gz LLBGSZWPGJHUOK-CLOONOSVSA-N 0 3 459.683 3.495 20 0 JGADHN CC[C@H](C)[C@@](C)(O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001305335713 1068567019 /nfs/dbraw/zinc/56/70/19/1068567019.db2.gz LXLNDIIKXXWGDL-SWHJIRTISA-N 0 3 489.734 3.036 20 0 JGADHN CC[C@H](C)[C@@](C)(O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001305335708 1068567167 /nfs/dbraw/zinc/56/71/67/1068567167.db2.gz LXLNDIIKXXWGDL-JTJYXVOQSA-N 0 3 489.734 3.036 20 0 JGADHN CC[C@H](C)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1)OC ZINC001305351322 1068595383 /nfs/dbraw/zinc/59/53/83/1068595383.db2.gz IYVHVUPZOMAJNM-SSPYTLHUSA-N 0 3 469.678 3.314 20 0 JGADHN CC[C@H](C)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC(CN2CCOCC2)CC1)OC ZINC001305352376 1068599009 /nfs/dbraw/zinc/59/90/09/1068599009.db2.gz LGCDIYCAUOHNMK-WMZHIEFXSA-N 0 3 456.635 3.258 20 0 JGADHN CC[C@H](C)[C@H](Cn1c(CCc2ccccc2)nnc1N1CCN(C2CCOCC2)CC1)OC ZINC001305358984 1068610698 /nfs/dbraw/zinc/61/06/98/1068610698.db2.gz MELXHXCORZVOIF-URXFXBBRSA-N 0 3 455.647 3.425 20 0 JGADHN CC[C@H](C)c1nnc(N(CC)[C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CCc2ccccc2)C1 ZINC001305401945 1068643576 /nfs/dbraw/zinc/64/35/76/1068643576.db2.gz SSGQDCVWNJFYMD-MDNUFGMLSA-N 0 3 473.687 3.370 20 0 JGADHN CC[C@H](C)c1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001305414809 1068653191 /nfs/dbraw/zinc/65/31/91/1068653191.db2.gz SAAUDZFXBDNNNL-TUFLPTIASA-N 0 3 477.698 3.167 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC(CNC(C)=O)CC2)n1C[C@@H](c1cccc(OC)c1)N(C)C ZINC001305448551 1068682270 /nfs/dbraw/zinc/68/22/70/1068682270.db2.gz HZWORXIGXXHNDQ-MBSDFSHPSA-N 0 3 456.635 3.456 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC(N(CC)S(C)(=O)=O)CC2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001305452774 1068688894 /nfs/dbraw/zinc/68/88/94/1068688894.db2.gz KJLJEBPQJRNZFQ-AVRDEDQJSA-N 0 3 494.681 3.484 20 0 JGADHN CC[C@@H](C)c1nnc(N2CC[C@@H](N3CCN(CC)CC3)C2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001305454881 1068693986 /nfs/dbraw/zinc/69/39/86/1068693986.db2.gz ASXSVVIBQCJKIY-UYAOXDASSA-N 0 3 495.594 3.392 20 0 JGADHN CC[C@H](C)c1nnc(N2CC[C@H](N3CCN(CC)CC3)C2)n1Cc1nnc(C(C)(C)C)s1 ZINC001305456580 1068696540 /nfs/dbraw/zinc/69/65/40/1068696540.db2.gz GKANPYMVWKKJNU-ROUUACIJSA-N 0 3 460.696 3.205 20 0 JGADHN CC[C@@H](C)c1nnc(N2CC[C@H](N3CCN(CC)CC3)C2)n1Cc1ccnc(OC(F)F)c1 ZINC001305456549 1068696560 /nfs/dbraw/zinc/69/65/60/1068696560.db2.gz GBEOVJOZTWDZLQ-MJGOQNOKSA-N 0 3 463.577 3.053 20 0 JGADHN CC[C@@H](C)c1nnc(N2CC[C@@H](N3CCN(CC)CC3)C2)n1Cc1ccnc(OC(F)F)c1 ZINC001305456547 1068696608 /nfs/dbraw/zinc/69/66/08/1068696608.db2.gz GBEOVJOZTWDZLQ-IEBWSBKVSA-N 0 3 463.577 3.053 20 0 JGADHN CC[C@H](C)c1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1C[C@@](C)(O)c1ccc(F)cc1 ZINC001305458906 1068701045 /nfs/dbraw/zinc/70/10/45/1068701045.db2.gz PTFHCCWXPLGXNX-AMZDPNTKSA-N 0 3 472.653 3.443 20 0 JGADHN CC[C@H](C)c1nnc(N2CC[C@@H](N3CCN(CC)CC3)C2)n1C[C@@](O)(c1ccccc1)C(F)(F)F ZINC001305460985 1068703870 /nfs/dbraw/zinc/70/38/70/1068703870.db2.gz YRJSOFBGJAFBBL-XZDHIHRUSA-N 0 3 494.606 3.458 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001305497410 1068733521 /nfs/dbraw/zinc/73/35/21/1068733521.db2.gz ZMKFPKBQUHJAIZ-NNMXDRDESA-N 0 3 494.681 3.341 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCCN(C(=O)c3cccc(C)c3)CC2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001305501133 1068736036 /nfs/dbraw/zinc/73/60/36/1068736036.db2.gz NIGWCNYVWWDPPH-DNQXCXABSA-N 0 3 495.716 3.479 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCc1ccc(C)c(OC)c1 ZINC001305514596 1068760523 /nfs/dbraw/zinc/76/05/23/1068760523.db2.gz OVMOQRUUJVEJBB-FQEVSTJZSA-N 0 3 468.646 3.096 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(c3cccc(OC)c3)CC2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001305522377 1068775052 /nfs/dbraw/zinc/77/50/52/1068775052.db2.gz IMZOKVVRBKJLQO-PKTZIBPZSA-N 0 3 483.705 3.400 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1Cc1cccc(OCC(=O)N(C)C)c1 ZINC001305529447 1068784336 /nfs/dbraw/zinc/78/43/36/1068784336.db2.gz DCTZWIRJDWGXQE-FQEVSTJZSA-N 0 3 468.646 3.372 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C3CCOCC3)CC2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001305529873 1068784740 /nfs/dbraw/zinc/78/47/40/1068784740.db2.gz HXQULNRDYRSIET-IBGZPJMESA-N 0 3 476.666 3.492 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1CCN(C)Cc1ccccc1 ZINC001305537241 1068800678 /nfs/dbraw/zinc/80/06/78/1068800678.db2.gz QLIAGNWJLAWGTH-DEOSSOPVSA-N 0 3 495.716 3.448 20 0 JGADHN CC[C@H](C)c1nnc(N2CCO[C@@H](c3cccc(OC)c3)C2)n1CCCN1CCN(CC)CC1 ZINC001305551729 1068830245 /nfs/dbraw/zinc/83/02/45/1068830245.db2.gz ACKIYIDCCHPKKP-XUZZJYLKSA-N 0 3 470.662 3.406 20 0 JGADHN CC[C@H](C)c1nnc(N2CCO[C@H](c3ccc(F)cc3)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001305556267 1068833707 /nfs/dbraw/zinc/83/37/07/1068833707.db2.gz MEGOPNHMZIOVSC-PMOQBDJRSA-N 0 3 486.636 3.451 20 0 JGADHN CC[C@H](C)[N@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001305604097 1068868988 /nfs/dbraw/zinc/86/89/88/1068868988.db2.gz DPQVFHBUYOFWCZ-SFHVURJKSA-N 0 3 498.031 3.392 20 0 JGADHN CC[C@H](C)[N@@H+](C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001305604097 1068868996 /nfs/dbraw/zinc/86/89/96/1068868996.db2.gz DPQVFHBUYOFWCZ-SFHVURJKSA-N 0 3 498.031 3.392 20 0 JGADHN CC[C@H](C)N(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1[C@H]1CCCO1 ZINC001305610105 1068884107 /nfs/dbraw/zinc/88/41/07/1068884107.db2.gz XYXOFSQXRSMXNK-YUXAGFNASA-N 0 3 475.659 3.227 20 0 JGADHN CC[C@H](C)N(C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001305619247 1068902980 /nfs/dbraw/zinc/90/29/80/1068902980.db2.gz FWTLBJSYXKBXBX-UWHLTILDSA-N 0 3 483.723 3.331 20 0 JGADHN CC[C@@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC2CCC(C)CC2)CC1 ZINC001305620892 1068906205 /nfs/dbraw/zinc/90/62/05/1068906205.db2.gz XPAVICRPKJRHOK-PWAJEDTMSA-N 0 3 495.734 3.475 20 0 JGADHN CC[C@H](C)N(C)CCn1c(COc2ccccc2F)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001305621107 1068907550 /nfs/dbraw/zinc/90/75/50/1068907550.db2.gz LPNMHUHZWZNXSH-RBUKOAKNSA-N 0 3 481.638 3.130 20 0 JGADHN CC[C@H](C)NC(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001305626631 1068924410 /nfs/dbraw/zinc/92/44/10/1068924410.db2.gz BXIRCWRFGODOHD-IPMKNSEASA-N 0 3 472.634 3.186 20 0 JGADHN CC[C@H](c1nnc(N2CCS(=O)(=O)CC2)n1C[C@@H](C)CN1CCCCC1)c1ccccc1 ZINC001305679925 1069038778 /nfs/dbraw/zinc/03/87/78/1069038778.db2.gz DMXVODJGFIGFRU-UNMCSNQZSA-N 0 3 459.660 3.177 20 0 JGADHN CCC(CC)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCO[C@@H](C)C1)N(C)C ZINC001305702289 1069084003 /nfs/dbraw/zinc/08/40/03/1069084003.db2.gz AWCFMRNFCQCMIZ-AVRDEDQJSA-N 0 3 477.675 3.330 20 0 JGADHN CCC(CC)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCO[C@@H](C)C1)N(C)C ZINC001305702291 1069084007 /nfs/dbraw/zinc/08/40/07/1069084007.db2.gz AWCFMRNFCQCMIZ-PGRDOPGGSA-N 0 3 477.675 3.330 20 0 JGADHN CCC(CC)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)N(C)C ZINC001305707168 1069097967 /nfs/dbraw/zinc/09/79/67/1069097967.db2.gz QCWDBPXQHLTUBR-UYAOXDASSA-N 0 3 450.653 3.043 20 0 JGADHN CCC(CC)[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)N(C)C ZINC001305709601 1069104810 /nfs/dbraw/zinc/10/48/10/1069104810.db2.gz QOHPBRVOOHGAAZ-NFBKMPQASA-N 0 3 484.670 3.483 20 0 JGADHN CCC(CC)[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCS(=O)(=O)CC1)N(C)C ZINC001305711923 1069111666 /nfs/dbraw/zinc/11/16/66/1069111666.db2.gz ODSXGLSSHRRNLQ-FQEVSTJZSA-N 0 3 468.067 3.124 20 0 JGADHN CCC(CC)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1)[NH+](C)C ZINC001305715360 1069120300 /nfs/dbraw/zinc/12/03/00/1069120300.db2.gz KRLZWPLWJPOMSC-XZOQPEGZSA-N 0 3 484.645 3.164 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N(C)C2Cc3ccccc3C2)n1C[C@]1(N(C)C)CCSC1 ZINC001305721246 1069131024 /nfs/dbraw/zinc/13/10/24/1069131024.db2.gz WJEQGJZQZGTKKR-RUZDIDTESA-N 0 3 470.687 3.237 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2F)n1C[C@]1(N(C)C)CCSC1 ZINC001305726657 1069144117 /nfs/dbraw/zinc/14/41/17/1069144117.db2.gz ROTDMXJXLRYSJD-HSZRJFAPSA-N 0 3 462.639 3.409 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC001305741531 1069173735 /nfs/dbraw/zinc/17/37/35/1069173735.db2.gz STXVOQOHZVKSQB-PCCBWWKXSA-N 0 3 495.672 3.169 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)N(CC)C[C@@H]2C)n1Cc1cccc(NC(C)=O)c1 ZINC001305741417 1069173751 /nfs/dbraw/zinc/17/37/51/1069173751.db2.gz SBPSYEDJJULVHQ-MSOLQXFVSA-N 0 3 469.634 3.122 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1Cc1nnc(C(C)(C)C)s1 ZINC001305742023 1069174774 /nfs/dbraw/zinc/17/47/74/1069174774.db2.gz UGGYDZJSYJTLAO-HOTGVXAUSA-N 0 3 476.695 3.313 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)N(CC)C[C@H]2C)n1Cc1ccc(OC)c(F)c1 ZINC001305742621 1069177433 /nfs/dbraw/zinc/17/74/33/1069177433.db2.gz WDZIACDHDARORI-IAGOWNOFSA-N 0 3 460.598 3.311 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CCN1CCCC1 ZINC001305742905 1069178053 /nfs/dbraw/zinc/17/80/53/1069178053.db2.gz CLEATMLRRYFFRT-RBUKOAKNSA-N 0 3 491.681 3.032 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1Cc1ccc([C@H](C)O)cc1 ZINC001305744109 1069182551 /nfs/dbraw/zinc/18/25/51/1069182551.db2.gz ZVJGBMPAASRPGK-OTWHNJEPSA-N 0 3 456.635 3.217 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC([C@H]3CCOC3)CC2)n1C[C@@H]1CCCCN1CC ZINC001305752231 1069199267 /nfs/dbraw/zinc/19/92/67/1069199267.db2.gz OELOELSERSXNRE-UNMCSNQZSA-N 0 3 460.667 3.324 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC([C@@H]3CCOC3)CC2)n1C[C@H]1CCCCN1CC ZINC001305752228 1069199295 /nfs/dbraw/zinc/19/92/95/1069199295.db2.gz OELOELSERSXNRE-IFMALSPDSA-N 0 3 460.667 3.324 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC(c3ccnn3C)CC2)n1C[C@@H](C)N1CCC(C)CC1 ZINC001305753491 1069202461 /nfs/dbraw/zinc/20/24/61/1069202461.db2.gz YAZVDDGHBSHXSP-HXUWFJFHSA-N 0 3 484.693 3.434 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CC[C@@]3(C2)CCCOC3)n1C[C@H](C)N1CCC(C)CC1 ZINC001305759220 1069220487 /nfs/dbraw/zinc/22/04/87/1069220487.db2.gz CAJIGISCBLFNSI-NBGIEHNGSA-N 0 3 460.667 3.324 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3CCCC[C@H]3C2)n1C[C@@H]1CCCN1CCCO ZINC001305761654 1069229174 /nfs/dbraw/zinc/22/91/74/1069229174.db2.gz CFUQOYBARPPAMM-ONTIZHBOSA-N 0 3 460.667 3.060 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC=C(Br)C2)n1C[C@@]1(N(C)C)CCSC1 ZINC001305765948 1069237342 /nfs/dbraw/zinc/23/73/42/1069237342.db2.gz ZTPZGWCWBFMUHX-FQEVSTJZSA-N 0 3 485.496 3.123 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](c3nc(C)no3)C2)n1C[C@@H]1N(C)CCCC1(C)C ZINC001305767857 1069239845 /nfs/dbraw/zinc/23/98/45/1069239845.db2.gz JAYUSTFCXLIOLF-ICSRJNTNSA-N 0 3 486.665 3.392 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCN1CCCCC1 ZINC001305778277 1069265125 /nfs/dbraw/zinc/26/51/25/1069265125.db2.gz IXXVWFMEEUPAPO-LJQANCHMSA-N 0 3 491.681 3.128 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccccc1N1CCOCC1 ZINC001305778333 1069265606 /nfs/dbraw/zinc/26/56/06/1069265606.db2.gz BMHJYHBQDLJBID-UHFFFAOYSA-N 0 3 497.688 3.002 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H](c1ccsc1)N(C)C ZINC001305780607 1069271474 /nfs/dbraw/zinc/27/14/74/1069271474.db2.gz UZAUABBRXQTMHJ-HXUWFJFHSA-N 0 3 475.707 3.481 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCCCC3)CC2)n1Cc1nccc(C(F)F)n1 ZINC001305785170 1069284336 /nfs/dbraw/zinc/28/43/36/1069284336.db2.gz ILFXJYIOHYWQNK-UHFFFAOYSA-N 0 3 490.603 3.427 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCCC3)CC2)n1Cc1ccc(NC(C)=O)cc1 ZINC001305785650 1069287193 /nfs/dbraw/zinc/28/71/93/1069287193.db2.gz NVZRVXXNFVPXLN-UHFFFAOYSA-N 0 3 481.645 3.268 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CC1(C)CCCC1 ZINC001305786363 1069290116 /nfs/dbraw/zinc/29/01/16/1069290116.db2.gz VUIBJZRDHMCMDB-IBGZPJMESA-N 0 3 460.667 3.466 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CC1(C(C)C)CC1 ZINC001305786464 1069290710 /nfs/dbraw/zinc/29/07/10/1069290710.db2.gz VINFACWTKGLVOX-LJQANCHMSA-N 0 3 460.667 3.322 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1Cc1ccc(NC(N)=O)cc1 ZINC001305786871 1069292081 /nfs/dbraw/zinc/29/20/81/1069292081.db2.gz CCSXBZIDZMAPLQ-UHFFFAOYSA-N 0 3 498.676 3.294 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(CC3CCCCC3)CC2)n1C[C@@]1(C)CCCO1 ZINC001305788949 1069298364 /nfs/dbraw/zinc/29/83/64/1069298364.db2.gz YBYFGMOOLFNXKR-RUZDIDTESA-N 0 3 460.667 3.468 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1C[C@@H]1N(C)CCCC1(C)C ZINC001305789947 1069300177 /nfs/dbraw/zinc/30/01/77/1069300177.db2.gz GORCAJPNEBWDER-DLBZAZTESA-N 0 3 474.572 3.084 20 0 JGADHN COC(=O)[C@@H]1CNCCN1C(F)(F)c1cc(-c2ccccc2C(F)(F)F)nnc1Cl ZINC001164630614 719138367 /nfs/dbraw/zinc/13/83/67/719138367.db2.gz JXCMHPZWKLCLOA-AWEZNQCLSA-N 0 3 450.795 3.312 20 0 JGADHN CC(C)n1nc(CN(c2nccs2)c2ccc(CN3CCOCC3)cn2)c2c1CNCC2 ZINC001164710762 720091383 /nfs/dbraw/zinc/09/13/83/720091383.db2.gz MCHCSOPYYXDKJJ-UHFFFAOYSA-N 0 3 453.616 3.132 20 0 JGADHN Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)cc1 ZINC001164726586 720343163 /nfs/dbraw/zinc/34/31/63/720343163.db2.gz PVPPWOSJXFTFSL-PKTZIBPZSA-N 0 3 474.590 3.225 20 0 JGADHN Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(c1nc(N3CCCC3)cc3ccccc31)C2 ZINC001164830009 720473170 /nfs/dbraw/zinc/47/31/70/720473170.db2.gz IRDCOLMSCIMNPB-QFIPXVFZSA-N 0 3 476.625 3.021 20 0 JGADHN c1ccc(-c2nc(-c3ccccc3)nc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164742672 720687241 /nfs/dbraw/zinc/68/72/41/720687241.db2.gz WHTRCPRFWJNZNC-FGZHOGPDSA-N 0 3 451.534 3.338 20 0 JGADHN Cc1sc2nc(CN3CCCCC3)nc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1C ZINC001164745234 720761878 /nfs/dbraw/zinc/76/18/78/720761878.db2.gz UBXKVLACOPNOSD-VQTJNVASSA-N 0 3 479.654 3.426 20 0 JGADHN c1ncc(O[C@@H]2C[C@@H]3CN(c4nc(CN5CCCCC5)nc5sc6c(c54)CCC6)CCN3C2)cn1 ZINC001164738616 720762068 /nfs/dbraw/zinc/76/20/68/720762068.db2.gz GIVGRAXOVUMQNG-RTBURBONSA-N 0 3 491.665 3.298 20 0 JGADHN c1cncc(-c2nc3sc4c(c3c(N3CCN5C[C@H](Oc6cncnc6)C[C@@H]5C3)n2)CCC4)c1 ZINC001164739327 720763920 /nfs/dbraw/zinc/76/39/20/720763920.db2.gz IHLSNXRTBYWONA-QZTJIDSGSA-N 0 3 471.590 3.374 20 0 JGADHN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164740953 720765431 /nfs/dbraw/zinc/76/54/31/720765431.db2.gz LNOZFBQQOOKLCV-RTBURBONSA-N 0 3 467.643 3.282 20 0 JGADHN C[C@@H]1CCCN1C(=O)c1nn(-c2ccc3c(n2)CCN(Cc2ccccc2)C3)c2c1CNCC2 ZINC001164850658 720805622 /nfs/dbraw/zinc/80/56/22/720805622.db2.gz VQUHNZSPXHVTRB-LJQANCHMSA-N 0 3 456.594 3.096 20 0 JGADHN Cn1cc(CN2CC[C@@H]3CN(c4cc(C(=O)NCc5ccccc5)cc(Cl)n4)C[C@H]3C2)cn1 ZINC001164760974 721093710 /nfs/dbraw/zinc/09/37/10/721093710.db2.gz AGQXEHAIVLOZOJ-IFMALSPDSA-N 0 3 465.001 3.357 20 0 JGADHN O=C(NCCSCc1ccco1)c1cccnc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865377 721110640 /nfs/dbraw/zinc/11/06/40/721110640.db2.gz KNAGHHRDQQYHBM-JTHBVZDNSA-N 0 3 493.633 3.213 20 0 JGADHN COc1ccc(Cn2cc3[nH]c(N4CCN5C[C@H](OCc6cccnc6)C[C@@H]5C4)ccc-3c2=O)cc1 ZINC001164877573 721135214 /nfs/dbraw/zinc/13/52/14/721135214.db2.gz OQZOBKFOVHFARH-ISKFKSNPSA-N 0 3 485.588 3.121 20 0 JGADHN Cc1sc2nc(CN3CCOCC3)nc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1C ZINC001164874530 721143975 /nfs/dbraw/zinc/14/39/75/721143975.db2.gz KKERNRILRDQAAN-FGZHOGPDSA-N 0 3 494.665 3.015 20 0 JGADHN COc1ccc(-c2ccc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)nn2)c(OC)c1OC ZINC001164879439 721171035 /nfs/dbraw/zinc/17/10/35/721171035.db2.gz SGBYAHRCAGYXGZ-WOJBJXKFSA-N 0 3 477.565 3.044 20 0 JGADHN CCOC(=O)c1cc2ccc(N3CCC4(C[C@@H](COCC5CC5)[N@H+](CCOC)C4)CC3)nc2[n-]1 ZINC001164782742 721462769 /nfs/dbraw/zinc/46/27/69/721462769.db2.gz BIDOFYWMLZNCIJ-NRFANRHFSA-N 0 3 470.614 3.474 20 0 JGADHN CCOC(=O)c1cc2ccc(N3CCC4(C[C@@H](COCC5CC5)[N@@H+](CCOC)C4)CC3)nc2[n-]1 ZINC001164782742 721462772 /nfs/dbraw/zinc/46/27/72/721462772.db2.gz BIDOFYWMLZNCIJ-NRFANRHFSA-N 0 3 470.614 3.474 20 0 JGADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4nccc(-c5cnc(N6CCCCC6)nc5)n4)CCN3C2)c1 ZINC001164911434 721541947 /nfs/dbraw/zinc/54/19/47/721541947.db2.gz WRWDKRCVVRBTEK-JTHBVZDNSA-N 0 3 475.572 3.405 20 0 JGADHN COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164906927 721546793 /nfs/dbraw/zinc/54/67/93/721546793.db2.gz LVPKSZVRLJDABC-MJGOQNOKSA-N 0 3 470.545 3.334 20 0 JGADHN O=C1NCCc2[nH]c(-c3ccnc(N4CCC(F)(F)[C@]5(CCN(Cc6ccccn6)C5)C4)c3)cc21 ZINC001164903767 721701662 /nfs/dbraw/zinc/70/16/62/721701662.db2.gz CEYAOCMVTLDNSU-VWLOTQADSA-N 0 3 478.547 3.495 20 0 JGADHN FC1(F)CCN(c2nc(N3CCCC3)nc(N3CCCC3)n2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164906444 721723061 /nfs/dbraw/zinc/72/30/61/721723061.db2.gz MANIZDMWGBGCFV-DEOSSOPVSA-N 0 3 484.599 3.205 20 0 JGADHN COC[C@]12COC[C@H]1CN(c1c3c(cnc1Cl)C1(CCN(Cc4ccccc4)CC1)OC3=O)C2 ZINC001164954922 721994559 /nfs/dbraw/zinc/99/45/59/721994559.db2.gz XWDSMODRYCQJJE-KBMIEXCESA-N 0 3 483.996 3.496 20 0 JGADHN CC1(C)C(=O)NCCN1c1c2c(cnc1Cl)C1(CCN(Cc3ccccc3)CC1)OC2=O ZINC001165052099 721994961 /nfs/dbraw/zinc/99/49/61/721994961.db2.gz SAMWDPBMCYIGNP-UHFFFAOYSA-N 0 3 454.958 3.112 20 0 JGADHN c1ccc(N2CCN(c3ccc(N4CCC5(CC4)COCCN(Cc4ccncc4)C5)nn3)CC2)cc1 ZINC001164960721 722059952 /nfs/dbraw/zinc/05/99/52/722059952.db2.gz JETVVXGSTCUARJ-UHFFFAOYSA-N 0 3 499.663 3.317 20 0 JGADHN CCOC(=O)c1sc2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1C ZINC001164983494 722099670 /nfs/dbraw/zinc/09/96/70/722099670.db2.gz QMDXMSCYGMIQJT-OALUTQOASA-N 0 3 467.595 3.299 20 0 JGADHN O=C(c1cc(Cl)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1)N1CCCCC1 ZINC001164980776 722105640 /nfs/dbraw/zinc/10/56/40/722105640.db2.gz KJRMVHCKWYVBPW-IFMALSPDSA-N 0 3 470.017 3.483 20 0 JGADHN COC(=O)c1cc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cnc1Cl ZINC001164972606 722109293 /nfs/dbraw/zinc/10/92/93/722109293.db2.gz GDBHROVLSOBUPF-QFBILLFUSA-N 0 3 466.916 3.189 20 0 JGADHN COc1cc2nc(Cl)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2cc1OC ZINC001164974915 722110341 /nfs/dbraw/zinc/11/03/41/722110341.db2.gz IVLYOWXKKPPIKS-VGSWGCGISA-N 0 3 469.973 3.423 20 0 JGADHN c1ccc(CN2CCc3c(ncnc3N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)C2)cc1 ZINC001164970870 722112072 /nfs/dbraw/zinc/11/20/72/722112072.db2.gz AFMHEMQHVIOLKR-RPLLCQBOSA-N 0 3 470.621 3.157 20 0 JGADHN COC(=O)c1ccc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(Cl)n1 ZINC001164971019 722113577 /nfs/dbraw/zinc/11/35/77/722113577.db2.gz BBTXJQSFLSRJRE-VQIMIIECSA-N 0 3 466.916 3.189 20 0 JGADHN COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164974379 722133443 /nfs/dbraw/zinc/13/34/43/722133443.db2.gz DKQLYIHFHJBONO-REWPJTCUSA-N 0 3 497.640 3.480 20 0 JGADHN FC(F)(c1cnc2c(Cl)ncnc2c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164984215 722135671 /nfs/dbraw/zinc/13/56/71/722135671.db2.gz WMFYOQBAWSHPRY-APWZRJJASA-N 0 3 460.916 3.345 20 0 JGADHN O=C(c1cccnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1)N1CCc2ccccc21 ZINC001164978079 722140085 /nfs/dbraw/zinc/14/00/85/722140085.db2.gz JOVVSQOXFCFODX-OZXSUGGESA-N 0 3 469.589 3.407 20 0 JGADHN c1cncc(CN2CCO[C@H]3CN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)CC[C@H]3C2)c1 ZINC001164983822 722147173 /nfs/dbraw/zinc/14/71/73/722147173.db2.gz VJZWYBBLMAVRBY-NVQXNPDNSA-N 0 3 473.577 3.427 20 0 JGADHN c1cncc(CN2CCO[C@@H]3CN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)CC[C@@H]3C2)c1 ZINC001164983819 722147251 /nfs/dbraw/zinc/14/72/51/722147251.db2.gz VJZWYBBLMAVRBY-ATIYNZHBSA-N 0 3 473.577 3.427 20 0 JGADHN COc1ccc(-c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nn2)c(OC)c1OC ZINC001164977974 722151167 /nfs/dbraw/zinc/15/11/67/722151167.db2.gz JAHYPWFHBUCGSE-GBXCKJPGSA-N 0 3 491.592 3.292 20 0 JGADHN O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164974690 722156252 /nfs/dbraw/zinc/15/62/52/722156252.db2.gz OWXSLYFIWDPABK-HKUYNNGSSA-N 0 3 481.931 3.494 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCOCC3(CCC3)C2)n1C[C@H]1N(C)CCCC1(C)C ZINC001305796978 1069317803 /nfs/dbraw/zinc/31/78/03/1069317803.db2.gz ZPCNQRDPYCKOLH-HXUWFJFHSA-N 0 3 460.667 3.324 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCS[C@@H](C)C2)n1CC(C)(C)N1CCC(OC)CC1 ZINC001305800039 1069322180 /nfs/dbraw/zinc/32/21/80/1069322180.db2.gz JYUTURSVAFPJIW-KRWDZBQOSA-N 0 3 466.696 3.028 20 0 JGADHN CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC2CCOCC2)CC1)c1ccccc1 ZINC001305805147 1069331503 /nfs/dbraw/zinc/33/15/03/1069331503.db2.gz XDVFYSLIPNZZGY-QFIPXVFZSA-N 0 3 468.646 3.159 20 0 JGADHN CC[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)N1CCCC1 ZINC001305806670 1069335138 /nfs/dbraw/zinc/33/51/38/1069335138.db2.gz GXTDMFAQKZTYDD-OALUTQOASA-N 0 3 496.475 3.205 20 0 JGADHN CC[C@@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)Oc1ccccc1F ZINC001305809050 1069338679 /nfs/dbraw/zinc/33/86/79/1069338679.db2.gz XQSYTNCGTAKTHQ-FPOVZHCZSA-N 0 3 472.609 3.141 20 0 JGADHN CC[C@@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](S(C)(=O)=O)C1)N1CCCC1 ZINC001305814313 1069345653 /nfs/dbraw/zinc/34/56/53/1069345653.db2.gz DWVRYLGGXBGARP-ROUUACIJSA-N 0 3 482.050 3.105 20 0 JGADHN CC[C@@H](Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCS(=O)(=O)CC1)N1CCCC1 ZINC001305818494 1069353835 /nfs/dbraw/zinc/35/38/35/1069353835.db2.gz PGPMBMCRLXMJKV-QFIPXVFZSA-N 0 3 489.686 3.479 20 0 JGADHN CC[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C(C)(C)C)C1)N1CCCC1 ZINC001305817464 1069351800 /nfs/dbraw/zinc/35/18/00/1069351800.db2.gz YLOLVCWNBSMIMR-UNMCSNQZSA-N 0 3 489.686 3.474 20 0 JGADHN CC[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1)OC ZINC001305839669 1069385982 /nfs/dbraw/zinc/38/59/82/1069385982.db2.gz ZOMHEBGIPGTYNJ-VXKWHMMOSA-N 0 3 461.054 3.164 20 0 JGADHN CCC(O)(CC)Cn1c(N2CCN(C3CCCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001305859279 1069415168 /nfs/dbraw/zinc/41/51/68/1069415168.db2.gz WARKFLOUQQTHAK-RUZDIDTESA-N 0 3 463.667 3.325 20 0 JGADHN CCc1ccc([C@H](Cn2c(CN3CCCC3=O)nnc2N(C)C[C@@H]2CCCOC2)N(C)C)cc1 ZINC001305915301 1069470316 /nfs/dbraw/zinc/47/03/16/1069470316.db2.gz AKWGVOABPSNSEX-GMAHTHKFSA-N 0 3 468.646 3.129 20 0 JGADHN CCc1ccc([C@@H](Cn2c(N3CCC(NS(=O)(=O)CC)CC3)nnc2C(C)(C)C)N(C)C)cc1 ZINC001305919198 1069474648 /nfs/dbraw/zinc/47/46/48/1069474648.db2.gz IRGRSFRSJOOQBH-JOCHJYFZSA-N 0 3 490.718 3.349 20 0 JGADHN CCc1ccc([C@H](Cn2c([C@H]3CCCCO3)nnc2N2CCC[C@H](CC(N)=O)C2)N(C)C)cc1 ZINC001305919256 1069474760 /nfs/dbraw/zinc/47/47/60/1069474760.db2.gz OBUAWMSEKJQSGN-AKIFATBCSA-N 0 3 468.646 3.477 20 0 JGADHN CCc1ccc([C@@H](Cn2c(CN3CCCC3=O)nnc2N(C)Cc2ncc(Cl)n2C)N(C)C)cc1 ZINC001305920173 1069475246 /nfs/dbraw/zinc/47/52/46/1069475246.db2.gz ROSUKANZSXZWDH-HXUWFJFHSA-N 0 3 499.063 3.289 20 0 JGADHN CCc1ccc([C@H](Cn2c([C@H]3CCCO3)nnc2N2CCC[C@H](C(=O)OC)C2)N(C)C)cc1 ZINC001305921642 1069477429 /nfs/dbraw/zinc/47/74/29/1069477429.db2.gz VJGVIUYBKOQCRN-FDFHNCONSA-N 0 3 455.603 3.384 20 0 JGADHN CN(C)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cc(Cl)ccn1)C1CC1 ZINC001298261624 1064156821 /nfs/dbraw/zinc/15/68/21/1064156821.db2.gz KEMQCVSCVOLEGA-OAQYLSRUSA-N 0 3 489.045 3.374 20 0 JGADHN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC001298317834 1064193510 /nfs/dbraw/zinc/19/35/10/1064193510.db2.gz BONYXWFTKUDPIR-LJQANCHMSA-N 0 3 458.971 3.018 20 0 JGADHN CN(C)[C@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc([S@](C)=O)cc1)c1ccsc1 ZINC001298318845 1064194443 /nfs/dbraw/zinc/19/44/43/1064194443.db2.gz DBIQLTAFKWMISV-PPGPUPIYSA-N 0 3 481.651 3.473 20 0 JGADHN CN(Cc1cccc(Cl)c1)c1nnc([C@@H]2CCCOC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001298330608 1064205766 /nfs/dbraw/zinc/20/57/66/1064205766.db2.gz DTIHLXDMSPZXFL-HXUWFJFHSA-N 0 3 461.054 3.488 20 0 JGADHN CN(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1)C1CCCCC1 ZINC001298346394 1064212200 /nfs/dbraw/zinc/21/22/00/1064212200.db2.gz XEOCLFKMAUWMRK-FCHUYYIVSA-N 0 3 459.660 3.327 20 0 JGADHN CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)cc1 ZINC001298379075 1064226021 /nfs/dbraw/zinc/22/60/21/1064226021.db2.gz YYJAVCASKDTOIE-JOCHJYFZSA-N 0 3 459.612 3.316 20 0 JGADHN O=C(Cc1ccccc1)NCC(=O)N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001298397063 1064232741 /nfs/dbraw/zinc/23/27/41/1064232741.db2.gz UNZPKCYDYOFLGP-AREMUKBSSA-N 0 3 456.590 3.434 20 0 JGADHN CN(C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ncc(Cl)n1C)c1ccc(F)cc1 ZINC001298450245 1064257441 /nfs/dbraw/zinc/25/74/41/1064257441.db2.gz DBKMNNBFIZSION-SFHVURJKSA-N 0 3 471.972 3.144 20 0 JGADHN CN(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)CC1COC(C)(C)OC1)c1ccccc1 ZINC001298587590 1064360403 /nfs/dbraw/zinc/36/04/03/1064360403.db2.gz JYTKUKWDPYNWIX-FGZHOGPDSA-N 0 3 457.619 3.310 20 0 JGADHN C[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)c2I)CCN(C2CC2)C1 ZINC001298642087 1064415358 /nfs/dbraw/zinc/41/53/58/1064415358.db2.gz WAYHDHQLTFNMOY-AWEZNQCLSA-N 0 3 450.324 3.033 20 0 JGADHN CN(CCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC2CCCCC2)CC1)CC(F)(F)F ZINC001298661395 1064437621 /nfs/dbraw/zinc/43/76/21/1064437621.db2.gz CBKZYCDMSVOODW-UHFFFAOYSA-N 0 3 499.626 3.101 20 0 JGADHN CN(CCCn1c(Cc2ccccn2)nnc1N1CCN(C(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC001298674594 1064460899 /nfs/dbraw/zinc/46/08/99/1064460899.db2.gz QRNCJPQHZSZGFM-UHFFFAOYSA-N 0 3 471.650 3.441 20 0 JGADHN CN(CCCS(C)(=O)=O)c1nnc(-c2c[nH]c3ccccc23)n1CCN1CCCCCC1 ZINC001298691520 1064490264 /nfs/dbraw/zinc/49/02/64/1064490264.db2.gz KPWLMGKGULNYRF-UHFFFAOYSA-N 0 3 458.632 3.173 20 0 JGADHN CN(CCn1c(-c2ccc[nH]2)nnc1N(C)CCN1CCOC(C)(C)C1)Cc1ccc(F)cc1 ZINC001298704316 1064507052 /nfs/dbraw/zinc/50/70/52/1064507052.db2.gz NIDGZHSCADWFKN-UHFFFAOYSA-N 0 3 469.609 3.091 20 0 JGADHN CN(CCn1c(CC2CC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)Cc1ccccc1 ZINC001298711714 1064517614 /nfs/dbraw/zinc/51/76/14/1064517614.db2.gz DIPYWPXUMOEHMT-QFIPXVFZSA-N 0 3 484.645 3.093 20 0 JGADHN CN(CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1)Cc1ccccc1 ZINC001298714007 1064523102 /nfs/dbraw/zinc/52/31/02/1064523102.db2.gz JRJYUWCWMMOJOH-QFIPXVFZSA-N 0 3 490.718 3.107 20 0 JGADHN CN(CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)Cc1ccc(F)cc1 ZINC001298714862 1064524248 /nfs/dbraw/zinc/52/42/48/1064524248.db2.gz RUIMOBDVTYNJPH-NRFANRHFSA-N 0 3 486.636 3.138 20 0 JGADHN CN(CCn1c(N2CCN(CC(=O)N3CCCCCC3)CC2)nnc1C(C)(C)C)Cc1ccccc1 ZINC001298720141 1064531284 /nfs/dbraw/zinc/53/12/84/1064531284.db2.gz VXJYFJRVRKYUPR-UHFFFAOYSA-N 0 3 495.716 3.232 20 0 JGADHN Cn1cc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CCc2ccccc2OC(F)F)cn1 ZINC001298818590 1064620985 /nfs/dbraw/zinc/62/09/85/1064620985.db2.gz SZONXTINJJZHDT-UHFFFAOYSA-N 0 3 459.545 3.443 20 0 JGADHN C[C@H]1[C@H](NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)CCN1Cc1ccccc1 ZINC001298884944 1064691000 /nfs/dbraw/zinc/69/10/00/1064691000.db2.gz CLKJDYHMRJVMNE-YADARESESA-N 0 3 451.592 3.287 20 0 JGADHN C[C@H]1[C@@H](NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)CCN1Cc1ccccc1 ZINC001298884940 1064691050 /nfs/dbraw/zinc/69/10/50/1064691050.db2.gz CLKJDYHMRJVMNE-CYFREDJKSA-N 0 3 451.592 3.287 20 0 JGADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2c(F)cccc2OC(F)F)CC1 ZINC001298889731 1064699478 /nfs/dbraw/zinc/69/94/78/1064699478.db2.gz VNAWDVSPWFFMDX-GOSISDBHSA-N 0 3 494.562 3.107 20 0 JGADHN CN1CCN(CCn2c([C@H]3CCCO3)nnc2N(CCC(F)(F)F)CC2CC2)CC1(C)C ZINC001298903412 1064708232 /nfs/dbraw/zinc/70/82/32/1064708232.db2.gz POBYBGZHGWVWRM-GOSISDBHSA-N 0 3 458.573 3.324 20 0 JGADHN CN1CCN(CCn2c(N3CCO[C@@H](c4ccc(F)c(F)c4)C3)nnc2C(C)(C)C)CC1(C)C ZINC001298903411 1064708309 /nfs/dbraw/zinc/70/83/09/1064708309.db2.gz PNKTUNBJUFRDIV-OAQYLSRUSA-N 0 3 476.616 3.458 20 0 JGADHN CNC(=O)C(C)(C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCN(CC(C)C)CC1 ZINC001298914677 1064714238 /nfs/dbraw/zinc/71/42/38/1064714238.db2.gz AVUGRSOZHPQHPE-UHFFFAOYSA-N 0 3 463.630 3.352 20 0 JGADHN O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC001298926627 1064725899 /nfs/dbraw/zinc/72/58/99/1064725899.db2.gz SRFMJTHWRHHWJB-IBGZPJMESA-N 0 3 459.587 3.299 20 0 JGADHN O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC001298926627 1064725910 /nfs/dbraw/zinc/72/59/10/1064725910.db2.gz SRFMJTHWRHHWJB-IBGZPJMESA-N 0 3 459.587 3.299 20 0 JGADHN CNC(=O)C(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001298939505 1064733336 /nfs/dbraw/zinc/73/33/36/1064733336.db2.gz TVCNPJQETATVCN-UHFFFAOYSA-N 0 3 476.616 3.478 20 0 JGADHN CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2ccc(F)cc2)N(C)C)C1 ZINC001299020565 1064804198 /nfs/dbraw/zinc/80/41/98/1064804198.db2.gz NWELBJOJMVMISZ-BWKNWUBXSA-N 0 3 465.577 3.053 20 0 JGADHN CO[C@]1(C)CCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001299748785 1064948449 /nfs/dbraw/zinc/94/84/49/1064948449.db2.gz FAEBKASCPDUHFJ-JOCHJYFZSA-N 0 3 494.482 3.067 20 0 JGADHN COC1(C)CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC001299774525 1064975546 /nfs/dbraw/zinc/97/55/46/1064975546.db2.gz FCTYUDRGDXXUEV-YADHBBJMSA-N 0 3 498.672 3.203 20 0 JGADHN COC1(Cn2c(C)nnc2N2CCN(CCN(C)Cc3ccccc3)CC2)CCC(C)CC1 ZINC001299799108 1064997869 /nfs/dbraw/zinc/99/78/69/1064997869.db2.gz ZLKNOWPOZHLBJW-UHFFFAOYSA-N 0 3 454.663 3.436 20 0 JGADHN COC1(Cn2c(N3C[C@@H](C)[C@H](N4CCCN(C(C)=O)CC4)C3)nnc2C(C)(C)C)CCCCC1 ZINC001299820000 1065013460 /nfs/dbraw/zinc/01/34/60/1065013460.db2.gz BLGBWMULJVPKRA-IFMALSPDSA-N 0 3 474.694 3.304 20 0 JGADHN COc1cc(C)cc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CCC(C)CC3)CC2)c1 ZINC001299828348 1065021062 /nfs/dbraw/zinc/02/10/62/1065021062.db2.gz VETICRRHQOCTDT-UHFFFAOYSA-N 0 3 468.646 3.482 20 0 JGADHN COc1cc(-c2nnc(N3CCN(CC(C)C)CC3)n2C[C@@H]2CCOC[C@@H]2C)cc(OC)c1OC ZINC001299857821 1065068407 /nfs/dbraw/zinc/06/84/07/1065068407.db2.gz ZMUICPPBPRPENN-PMACEKPBSA-N 0 3 487.645 3.422 20 0 JGADHN COc1cc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCCC2)cc(OC)c1 ZINC001299869265 1065086279 /nfs/dbraw/zinc/08/62/79/1065086279.db2.gz CPCBJUOXKAOTNZ-UHFFFAOYSA-N 0 3 479.585 3.065 20 0 JGADHN COc1cc(Cl)ccc1-c1nnc(N2CCN(CCOC(C)C)CC2)n1CCN1CC=CCC1 ZINC001299908828 1065154072 /nfs/dbraw/zinc/15/40/72/1065154072.db2.gz DKCUXKWUXKKWBI-UHFFFAOYSA-N 0 3 489.064 3.416 20 0 JGADHN COc1cc(OC)cc(N(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@@H](C)N2CCCCC2)c1 ZINC001299959079 1065238275 /nfs/dbraw/zinc/23/82/75/1065238275.db2.gz YYGDFOMHPGRYOT-MOPGFXCFSA-N 0 3 491.658 3.230 20 0 JGADHN COc1cc(OC)cc(N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H](C)N2CCCCC2)c1 ZINC001299959082 1065238842 /nfs/dbraw/zinc/23/88/42/1065238842.db2.gz YYGDFOMHPGRYOT-RTBURBONSA-N 0 3 491.658 3.230 20 0 JGADHN COc1ccc(Br)c(-c2nnc(N(C)C[C@H]3CCOC3)n2CCN2CC=CCC2)c1 ZINC001299968320 1065251995 /nfs/dbraw/zinc/25/19/95/1065251995.db2.gz DWYCRFDQUHLDHP-QGZVFWFLSA-N 0 3 476.419 3.451 20 0 JGADHN COc1ccc([C@H](C)CCn2c(C(=O)NC(C)C)nnc2N2CCC(CN3CCOCC3)CC2)cc1 ZINC001299980402 1065279649 /nfs/dbraw/zinc/27/96/49/1065279649.db2.gz JOKFMVQKFRUHRQ-OAQYLSRUSA-N 0 3 498.672 3.167 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)[C@@H](C)C3)n2C[C@H]2CCCN2CCCO)cc1C ZINC001492243985 1065342037 /nfs/dbraw/zinc/34/20/37/1065342037.db2.gz JFBJOTRSMJHVQO-JAXLGGSGSA-N 0 3 454.619 3.086 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCCCCC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)cc1C ZINC001492265297 1065357507 /nfs/dbraw/zinc/35/75/07/1065357507.db2.gz GSCIZCQUEKNUGD-HSZRJFAPSA-N 0 3 495.672 3.470 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCCCCC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)cc1C ZINC001492265298 1065357564 /nfs/dbraw/zinc/35/75/64/1065357564.db2.gz GSCIZCQUEKNUGD-QHCPKHFHSA-N 0 3 495.672 3.470 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCN(CCC(C)(C)C)CC3)n2CCCn2ccnn2)cc1C ZINC001492266454 1065361608 /nfs/dbraw/zinc/36/16/08/1065361608.db2.gz MTTVEDHUENVNQC-UHFFFAOYSA-N 0 3 493.660 3.387 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCN(CC(C)C)CC3)n2CCCNC(=O)C2CCC2)cc1C ZINC001492267237 1065363688 /nfs/dbraw/zinc/36/36/88/1065363688.db2.gz QDVYFQXEPKEJGX-UHFFFAOYSA-N 0 3 495.672 3.232 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCC[C@@H](CN4CCCC[C@H]4C)C3)n2CCS(C)(=O)=O)cc1 ZINC001492372419 1065438048 /nfs/dbraw/zinc/43/80/48/1065438048.db2.gz 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/nfs/dbraw/zinc/17/36/06/1066173606.db2.gz CWSQEEMUUTZGMY-NYVOZVTQSA-N 0 3 461.582 3.031 20 0 JGADHN COC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCN(C)Cc2ccc(F)cc2)C[C@@H](C)O1 ZINC001301386361 1066173613 /nfs/dbraw/zinc/17/36/13/1066173613.db2.gz CWSQEEMUUTZGMY-COPCDDAFSA-N 0 3 461.582 3.031 20 0 JGADHN COCCC(C)(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001301423073 1066216468 /nfs/dbraw/zinc/21/64/68/1066216468.db2.gz AATVYQHVRZPMCB-OAQYLSRUSA-N 0 3 489.064 3.404 20 0 JGADHN COCCC(C)(C)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCN(CC(C)C)CC1 ZINC001301424956 1066218678 /nfs/dbraw/zinc/21/86/78/1066218678.db2.gz CEFSWOWUDBNMAC-UHFFFAOYSA-N 0 3 467.618 3.435 20 0 JGADHN COCCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001301431848 1066230628 /nfs/dbraw/zinc/23/06/28/1066230628.db2.gz YJKZUEVQSWHGTI-JOCHJYFZSA-N 0 3 489.734 3.301 20 0 JGADHN CC(=O)NCCN(Cc1ccsc1)c1nnc(C)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC001301948247 1066241787 /nfs/dbraw/zinc/24/17/87/1066241787.db2.gz GPRHHUOWZLUQTC-HXUWFJFHSA-N 0 3 481.670 3.001 20 0 JGADHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc3cccnc32)n1C[C@H](C1CC1)N(C)C ZINC001301989021 1066305835 /nfs/dbraw/zinc/30/58/35/1066305835.db2.gz NRZHFCSREGZDFM-LLGFUMIMSA-N 0 3 470.643 3.091 20 0 JGADHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc3cccnc32)n1CC(C)(C)CN(C)C ZINC001301989903 1066307759 /nfs/dbraw/zinc/30/77/59/1066307759.db2.gz QESXATOBTHHZEM-MSOLQXFVSA-N 0 3 472.659 3.339 20 0 JGADHN CCCN1CCCC[C@@H]1C(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001301494152 1066318973 /nfs/dbraw/zinc/31/89/73/1066318973.db2.gz JXAUODFSXSLOQQ-HXUWFJFHSA-N 0 3 452.640 3.005 20 0 JGADHN CC(C)(C(=O)NC[C@@H]1CCCN(CC2CC2)C1)S(=O)(=O)c1ccc(Br)cc1 ZINC001301503888 1066329821 /nfs/dbraw/zinc/32/98/21/1066329821.db2.gz NFKFNLCBMVAQOU-INIZCTEOSA-N 0 3 457.434 3.240 20 0 JGADHN CN(CCO)CCN(C)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC001301545264 1066374978 /nfs/dbraw/zinc/37/49/78/1066374978.db2.gz GNSCLDLGNPEGSF-UHFFFAOYSA-N 0 3 457.372 3.298 20 0 JGADHN COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3C[C@@H]([NH+](C)C)C34CCC4)c2)cc1 ZINC001301549567 1066377602 /nfs/dbraw/zinc/37/76/02/1066377602.db2.gz VANKMIHDOAAKMZ-FGZHOGPDSA-N 0 3 457.596 3.407 20 0 JGADHN COCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001301572920 1066398381 /nfs/dbraw/zinc/39/83/81/1066398381.db2.gz XBEOHZAKRPQBAF-UHFFFAOYSA-N 0 3 484.693 3.437 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCC3(Cc4ccccc4C3=O)CC2)n1CCN(C)C(C)C ZINC001302034843 1066403745 /nfs/dbraw/zinc/40/37/45/1066403745.db2.gz CYRACTCTVANEME-FQEVSTJZSA-N 0 3 469.630 3.368 20 0 JGADHN COCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001301581290 1066417179 /nfs/dbraw/zinc/41/71/79/1066417179.db2.gz XPWYPWFXYRXCRF-FGZHOGPDSA-N 0 3 463.667 3.172 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(OC)C2)n1C[C@@H](C)N1CCc2ccccc2C1 ZINC001302056214 1066450923 /nfs/dbraw/zinc/45/09/23/1066450923.db2.gz YFXBUYITNFUWGP-IPVFLDMMSA-N 0 3 471.646 3.454 20 0 JGADHN C/C(=C\c1ccccc1)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@]1(N(C)C)CCSC1 ZINC001301623810 1066482181 /nfs/dbraw/zinc/48/21/81/1066482181.db2.gz OHJHFMYUBYYYLF-RALKEJGDSA-N 0 3 468.671 3.491 20 0 JGADHN CC(=O)N(C)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 ZINC001301639912 1066503858 /nfs/dbraw/zinc/50/38/58/1066503858.db2.gz JVTJGJULLHMSNZ-XMMPIXPASA-N 0 3 479.604 3.153 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccccc1C1OCCO1 ZINC001302083413 1066504494 /nfs/dbraw/zinc/50/44/94/1066504494.db2.gz ZVJZQNVCSPEDOG-IBGZPJMESA-N 0 3 473.618 3.016 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1nc(C(F)(F)F)cs1 ZINC001302083437 1066504580 /nfs/dbraw/zinc/50/45/80/1066504580.db2.gz ZYFYFZHXRARBPG-CQSZACIVSA-N 0 3 476.569 3.446 20 0 JGADHN CC(=O)N1CC[C@H](CN(C)c2nnc(C(C)(C)C)n2CCCN2CCN(c3ccccc3)CC2)C1 ZINC001301647737 1066512161 /nfs/dbraw/zinc/51/21/61/1066512161.db2.gz IMVJOFLXNOXEDI-HSZRJFAPSA-N 0 3 481.689 3.093 20 0 JGADHN 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ZINC001302096613 1066527484 /nfs/dbraw/zinc/52/74/84/1066527484.db2.gz LADNFTMHJPDLGP-HXUWFJFHSA-N 0 3 486.627 3.399 20 0 JGADHN CC(=O)N1CC[C@@H](CN(C)c2nnc([C@H]3CCCO3)n2C[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC001301663042 1066535273 /nfs/dbraw/zinc/53/52/73/1066535273.db2.gz GKPWYSWKBDFVSZ-ACIOBRDBSA-N 0 3 454.619 3.046 20 0 JGADHN COCCCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCN(C(C)(C)C)CC2)cc1 ZINC001301672356 1066550956 /nfs/dbraw/zinc/55/09/56/1066550956.db2.gz UHNXQVLBPVLGIA-NRFANRHFSA-N 0 3 457.619 3.166 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCSC3(CCCCC3)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001302111819 1066552036 /nfs/dbraw/zinc/55/20/36/1066552036.db2.gz MQYYHRJJKZSDDN-OAQYLSRUSA-N 0 3 494.750 3.284 20 0 JGADHN CC(C)(C)OC(=O)N[C@H]1CCc2cc(C(=O)NC[C@@H]3CCN3C3CCCC3)ccc2NC1=O ZINC001302123837 1066568101 /nfs/dbraw/zinc/56/81/01/1066568101.db2.gz AGCXJRZCRVVHKL-FPOVZHCZSA-N 0 3 456.587 3.211 20 0 JGADHN CC(=O)N1CCCN(c2nnc(-c3ccc(C)o3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001301697167 1066585775 /nfs/dbraw/zinc/58/57/75/1066585775.db2.gz WUPZCCWDHGHYSA-OAQYLSRUSA-N 0 3 454.550 3.347 20 0 JGADHN CC(C)(C)Cc1nnc(N2CCC(N3CCCCC3)CC2)n1CCS(=O)(=O)CC1CC1 ZINC001302142167 1066591092 /nfs/dbraw/zinc/59/10/92/1066591092.db2.gz XBYUUHKUIZFWCT-UHFFFAOYSA-N 0 3 451.681 3.146 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3Cc3ccccc3F)C[C@H]2C)CC1 ZINC001301707025 1066596910 /nfs/dbraw/zinc/59/69/10/1066596910.db2.gz ANSGDTMJJQSOSK-XMSQKQJNSA-N 0 3 456.610 3.142 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(Cc4csc(C)n4)n3CCC(C)(F)F)C[C@@H]2C)CC1 ZINC001301707994 1066599381 /nfs/dbraw/zinc/59/93/81/1066599381.db2.gz GUWULBMJBJKZEQ-JXFKEZNVSA-N 0 3 495.644 3.058 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3Cc3ccnc(C(F)(F)F)c3)C[C@@H]2C)CC1 ZINC001301708172 1066599579 /nfs/dbraw/zinc/59/95/79/1066599579.db2.gz IXURAHHALFKDAG-FXAWDEMLSA-N 0 3 493.578 3.243 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)(C)C)n3CCOCCC(C)C)C[C@H]2C)CC1 ZINC001301708421 1066600642 /nfs/dbraw/zinc/60/06/42/1066600642.db2.gz MQHOYFKZFGVHLG-IRLDBZIGSA-N 0 3 462.683 3.017 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3C[C@H](C)N(C)c3ccccc3)C[C@@H]2C)CC1 ZINC001301708338 1066600741 /nfs/dbraw/zinc/60/07/41/1066600741.db2.gz LRIMZIFRAKPRAY-WRALFONMSA-N 0 3 481.689 3.305 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)C)n3CCCOCCC(C)C)C[C@H]2C)CC1 ZINC001301708736 1066602118 /nfs/dbraw/zinc/60/21/18/1066602118.db2.gz PSCSXEGZXYVYQH-GGAORHGYSA-N 0 3 462.683 3.233 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3Cc3cccc(F)c3)C[C@H]2C)CC1 ZINC001301709356 1066602693 /nfs/dbraw/zinc/60/26/93/1066602693.db2.gz UDPPRMWERCTHST-XMSQKQJNSA-N 0 3 456.610 3.142 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)C)n3CCOc3c(C)cccc3C)C[C@@H]2C)CC1 ZINC001301710127 1066604098 /nfs/dbraw/zinc/60/40/98/1066604098.db2.gz XEBGOHMAAZXXKX-UPVQGACJSA-N 0 3 482.673 3.476 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@@H]3CSCCS3)C[C@@H]2C)CC1 ZINC001301710557 1066604867 /nfs/dbraw/zinc/60/48/67/1066604867.db2.gz ZGXLSKYVUFIHRL-CEWLAPEOSA-N 0 3 494.775 3.094 20 0 JGADHN CC(=O)N1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCN2CC=CCC2)CC1 ZINC001301724609 1066637141 /nfs/dbraw/zinc/63/71/41/1066637141.db2.gz IQARSNARINOSHU-UHFFFAOYSA-N 0 3 493.837 3.291 20 0 JGADHN COCCN(C)CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCCC[C@H](C)C1 ZINC001301729076 1066647853 /nfs/dbraw/zinc/64/78/53/1066647853.db2.gz DIDJVSOUVWQNEQ-FQEVSTJZSA-N 0 3 481.645 3.441 20 0 JGADHN COCCN(C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H]2CCC[C@@H]21 ZINC001301732886 1066652557 /nfs/dbraw/zinc/65/25/57/1066652557.db2.gz WSBRGYGGXNKLIN-CTNGQTDRSA-N 0 3 476.666 3.350 20 0 JGADHN COCCN(C)CCn1c(CC(C)(C)C)nnc1N1CCc2cc(OC)c(OC)cc2CC1 ZINC001301733163 1066653310 /nfs/dbraw/zinc/65/33/10/1066653310.db2.gz FMBLXOLKIIZGSN-UHFFFAOYSA-N 0 3 459.635 3.067 20 0 JGADHN COCCN(C)CCn1c([C@@H]2CCCCO2)nnc1N1CCc2cccc(Br)c2C1 ZINC001301733338 1066653912 /nfs/dbraw/zinc/65/39/12/1066653912.db2.gz XUOAQTXOVHKEGI-FQEVSTJZSA-N 0 3 478.435 3.423 20 0 JGADHN COCCN(C)CCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2ccccc2F)C1 ZINC001301736297 1066658782 /nfs/dbraw/zinc/65/87/82/1066658782.db2.gz JXOAAJZTXRSGGB-OAQYLSRUSA-N 0 3 459.591 3.226 20 0 JGADHN COCCN(C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001301740373 1066661263 /nfs/dbraw/zinc/66/12/63/1066661263.db2.gz JJTFKBMRLDJRKO-BRSBDYLESA-N 0 3 461.573 3.410 20 0 JGADHN COCCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1N(C)CCCC1(C)C)[C@H]1CC[C@H](C)C1 ZINC001301740339 1066661282 /nfs/dbraw/zinc/66/12/82/1066661282.db2.gz BMVIZUIUOADJIW-ACRUOGEOSA-N 0 3 460.667 3.276 20 0 JGADHN COCCN(C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](n2cc(C)cn2)C1 ZINC001301741238 1066662549 /nfs/dbraw/zinc/66/25/49/1066662549.db2.gz PYLMISCDXMVYCL-BHDDXSALSA-N 0 3 473.666 3.121 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(C)CCCO2)CC1 ZINC001302191271 1066674208 /nfs/dbraw/zinc/67/42/08/1066674208.db2.gz XSIJTHMRGIUMFQ-DEOSSOPVSA-N 0 3 455.607 3.053 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCO2)CC1 ZINC001302191794 1066675547 /nfs/dbraw/zinc/67/55/47/1066675547.db2.gz BPALBDVQKUKBPN-GOSISDBHSA-N 0 3 460.648 3.007 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCn2cccn2)CC1 ZINC001302192860 1066677498 /nfs/dbraw/zinc/67/74/98/1066677498.db2.gz MIEZMGCESDHTJR-UHFFFAOYSA-N 0 3 484.674 3.115 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2COCCO2)CC1 ZINC001302193229 1066678774 /nfs/dbraw/zinc/67/87/74/1066678774.db2.gz QAKCQNHUHZZWND-PWRODBHTSA-N 0 3 463.667 3.170 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCC(=O)NCc2ccccc2)CC1 ZINC001302194321 1066681200 /nfs/dbraw/zinc/68/12/00/1066681200.db2.gz ZAYQZVMAUBANCN-QHCPKHFHSA-N 0 3 482.673 3.437 20 0 JGADHN COCCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCCC1)[C@@H]1CC[C@@H](C)C1 ZINC001301757177 1066689646 /nfs/dbraw/zinc/68/96/46/1066689646.db2.gz KVDVUFRDNGGCRO-NJDAHSKKSA-N 0 3 481.707 3.086 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCN2CCCCC2=O)CC1 ZINC001302202454 1066698034 /nfs/dbraw/zinc/69/80/34/1066698034.db2.gz GMJVEYFNFATHRQ-UHFFFAOYSA-N 0 3 492.466 3.359 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCOC[C@@H]2CCOC2)CC1 ZINC001302202730 1066698669 /nfs/dbraw/zinc/69/86/69/1066698669.db2.gz KIZRORBKHBBNKN-NRFANRHFSA-N 0 3 459.610 3.372 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(CCc3ccccc3)n2CCC(=O)N2CCCCC2)CC1 ZINC001302202610 1066698767 /nfs/dbraw/zinc/69/87/67/1066698767.db2.gz IWGYTMZKZGIEHK-UHFFFAOYSA-N 0 3 452.647 3.386 20 0 JGADHN CC(C)(C)N1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(Br)n2)CC1 ZINC001302203082 1066699249 /nfs/dbraw/zinc/69/92/49/1066699249.db2.gz NTFVXHLJNKWGKJ-MRXNPFEDSA-N 0 3 463.424 3.298 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[C@H]2COCCO2)CC1 ZINC001302202979 1066699259 /nfs/dbraw/zinc/69/92/59/1066699259.db2.gz MHRNRSCWMXAEQS-FQEVSTJZSA-N 0 3 464.010 3.237 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(CCOc3ccccc3)n2CCCOC2CCOCC2)CC1 ZINC001302203471 1066699933 /nfs/dbraw/zinc/69/99/33/1066699933.db2.gz RYPDTDMMZFTEQL-UHFFFAOYSA-N 0 3 471.646 3.406 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(O)CCSC2)CC1 ZINC001302203270 1066700175 /nfs/dbraw/zinc/70/01/75/1066700175.db2.gz QSKOJDALSLEDGA-JOCHJYFZSA-N 0 3 466.051 3.299 20 0 JGADHN CC(=O)Nc1ccc(CCn2c(C(C)C)nnc2N2CCN(CC3CCOCC3)CC2)cc1 ZINC001301776239 1066722392 /nfs/dbraw/zinc/72/23/92/1066722392.db2.gz GCHWYLHXGHTJCY-UHFFFAOYSA-N 0 3 454.619 3.151 20 0 JGADHN CC(=O)Nc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCN(CC(C)C)CC2)cc1 ZINC001301788637 1066738597 /nfs/dbraw/zinc/73/85/97/1066738597.db2.gz KARFWOOELCJGQX-UHFFFAOYSA-N 0 3 495.653 3.054 20 0 JGADHN CC(=O)Nc1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCN(CC(C)C)CC2)c1 ZINC001301798846 1066750685 /nfs/dbraw/zinc/75/06/85/1066750685.db2.gz MRDXJCUZKRNJAX-UHFFFAOYSA-N 0 3 495.653 3.054 20 0 JGADHN CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1CC1(O)CCC1 ZINC001302233680 1066752671 /nfs/dbraw/zinc/75/26/71/1066752671.db2.gz UCFHCWKMKMHTOI-SFHVURJKSA-N 0 3 462.639 3.186 20 0 JGADHN CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1CC(F)(F)F ZINC001302242784 1066770282 /nfs/dbraw/zinc/77/02/82/1066770282.db2.gz WRDLGCFOJRJEQJ-HNNXBMFYSA-N 0 3 476.544 3.069 20 0 JGADHN CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCN(C)Cc2ccc(F)cc2)C1 ZINC001301817630 1066776364 /nfs/dbraw/zinc/77/63/64/1066776364.db2.gz FVISHZZONJZRQX-OAQYLSRUSA-N 0 3 485.995 3.370 20 0 JGADHN CC(C)(C)OC(=O)NCC(F)(F)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001302250371 1066785386 /nfs/dbraw/zinc/78/53/86/1066785386.db2.gz ADCRKUXHACLUGZ-MRXNPFEDSA-N 0 3 472.581 3.210 20 0 JGADHN COCCn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001301825784 1066788953 /nfs/dbraw/zinc/78/89/53/1066788953.db2.gz CCAOKTKVKVADMD-SFHVURJKSA-N 0 3 495.441 3.098 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2nccs2)n1C[C@H](c1ccccc1)N(C)C ZINC001302257931 1066803052 /nfs/dbraw/zinc/80/30/52/1066803052.db2.gz HSCBDKMPDDAIQI-ZVDOUQERSA-N 0 3 456.616 3.398 20 0 JGADHN COCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001301843383 1066814694 /nfs/dbraw/zinc/81/46/94/1066814694.db2.gz OPDMELIRPBSPBG-UHFFFAOYSA-N 0 3 452.024 3.171 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@H](C)OC(C)(C)C2)n1C[C@@H](c1ccccc1)N(C)C ZINC001302271202 1066829590 /nfs/dbraw/zinc/82/95/90/1066829590.db2.gz CGJBZTZDDIUBCJ-QESAQDPVSA-N 0 3 457.619 3.309 20 0 JGADHN CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@H](c2ccc(F)cc2)N(C)C)C1 ZINC001301856613 1066837213 /nfs/dbraw/zinc/83/72/13/1066837213.db2.gz GQEFZUCMSKOKRN-WMZHIEFXSA-N 0 3 465.577 3.135 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C)[C@@H](OC)C2)n1C[C@@H](c1ccc(C)cc1)N(C)C ZINC001302277638 1066844693 /nfs/dbraw/zinc/84/46/93/1066844693.db2.gz JVCDFGKHEFADOE-DUSBTPNUSA-N 0 3 471.646 3.475 20 0 JGADHN COCCN1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccccc2OC)N2CCCC2)CC1 ZINC001301874857 1066875522 /nfs/dbraw/zinc/87/55/22/1066875522.db2.gz QLBKLOAKCWSQCO-QFIPXVFZSA-N 0 3 470.662 3.190 20 0 JGADHN CC(=O)NCC1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001301882850 1066891201 /nfs/dbraw/zinc/89/12/01/1066891201.db2.gz GJVWPFHTQPDTQG-QFIPXVFZSA-N 0 3 453.566 3.068 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1CCc1cc(C)ccc1OC ZINC001302305898 1066895242 /nfs/dbraw/zinc/89/52/42/1066895242.db2.gz VEXWWYRGPUVMIA-GMAHTHKFSA-N 0 3 471.646 3.482 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(CC(C)C)CC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001302310596 1066903998 /nfs/dbraw/zinc/90/39/98/1066903998.db2.gz CRRUCJLOYSNXSN-HKBOAZHASA-N 0 3 494.681 3.036 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(CC(C)C)CC2)n1Cc1ccc(Cl)c(OC)c1 ZINC001302310918 1066904321 /nfs/dbraw/zinc/90/43/21/1066904321.db2.gz DZTXFAVQZCTTKL-UGKGYDQZSA-N 0 3 478.037 3.490 20 0 JGADHN COCCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001301891494 1066911398 /nfs/dbraw/zinc/91/13/98/1066911398.db2.gz ORECPYJWEJZGDV-OAQYLSRUSA-N 0 3 470.643 3.087 20 0 JGADHN COCCN1CCN(c2nnc(-c3ccccc3Br)n2CCCn2ccnc2C)CC1 ZINC001301896250 1066918847 /nfs/dbraw/zinc/91/88/47/1066918847.db2.gz GWJXNJRJNQVFET-UHFFFAOYSA-N 0 3 488.434 3.071 20 0 JGADHN COCCN1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](c2ccco2)N(C)C)C[C@H]1C ZINC001301896436 1066919218 /nfs/dbraw/zinc/91/92/18/1066919218.db2.gz JVFGKMCPIOFSOB-IRLDBZIGSA-N 0 3 452.603 3.306 20 0 JGADHN CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](c2ccsc2)N(C)C)CCO1 ZINC001301900355 1066925138 /nfs/dbraw/zinc/92/51/38/1066925138.db2.gz LNMFUGKVGUXLEK-NHCUHLMSSA-N 0 3 489.045 3.304 20 0 JGADHN CC(=O)NC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@@H](c2cccs2)N(C)C)CCO1 ZINC001301904886 1066930409 /nfs/dbraw/zinc/93/04/09/1066930409.db2.gz WWVWTCOCWIVYTH-PXNSSMCTSA-N 0 3 489.045 3.304 20 0 JGADHN CC(C)(CN1CCCC1)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001302344923 1066942277 /nfs/dbraw/zinc/94/22/77/1066942277.db2.gz HPYLVFURWWFWGS-IBGZPJMESA-N 0 3 466.051 3.344 20 0 JGADHN CC(=O)NCCCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001301915404 1066944878 /nfs/dbraw/zinc/94/48/78/1066944878.db2.gz XXMVJPQEXCXKNB-JOCHJYFZSA-N 0 3 498.672 3.110 20 0 JGADHN CC(=O)NCCCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001301915406 1066945038 /nfs/dbraw/zinc/94/50/38/1066945038.db2.gz XXMVJPQEXCXKNB-QFIPXVFZSA-N 0 3 498.672 3.110 20 0 JGADHN CO[C@H]1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001302390506 1066970534 /nfs/dbraw/zinc/97/05/34/1066970534.db2.gz OBCUKMRUCQGMJL-VXKWHMMOSA-N 0 3 470.662 3.286 20 0 JGADHN CC(C)C(=O)N1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001302399311 1066979602 /nfs/dbraw/zinc/97/96/02/1066979602.db2.gz YWBPFUDQGPOADG-VQTJNVASSA-N 0 3 474.675 3.231 20 0 JGADHN CC(C)C(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](c2cccs2)N(C)C)CC1 ZINC001302404486 1066986028 /nfs/dbraw/zinc/98/60/28/1066986028.db2.gz QYHVCUGEHVYBQN-RBUKOAKNSA-N 0 3 460.648 3.189 20 0 JGADHN Cc1cccc(O[C@H](C)c2nnc(N(C)CCn3cccn3)n2CCN2CCN(C)C(C)(C)C2)c1C ZINC001304017026 1067060672 /nfs/dbraw/zinc/06/06/72/1067060672.db2.gz CPOATZSYVIPJGE-HSZRJFAPSA-N 0 3 494.688 3.394 20 0 JGADHN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@](C)(C(N)=O)C3)n2CCN2CCCCC2)c1C ZINC001304019493 1067063385 /nfs/dbraw/zinc/06/33/85/1067063385.db2.gz JTSRAKYGEWGGCY-NLFFAJNJSA-N 0 3 454.619 3.223 20 0 JGADHN CN(C[C@@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC001302467357 1067071056 /nfs/dbraw/zinc/07/10/56/1067071056.db2.gz ACELGKXIVUQKFC-FXAWDEMLSA-N 0 3 452.382 3.499 20 0 JGADHN Cc1cccc(O[C@H](C)c2nnc(N3CCN(C4CCOCC4)C[C@H]3C)n2CC(=O)NC(C)C)c1C ZINC001304031971 1067081034 /nfs/dbraw/zinc/08/10/34/1067081034.db2.gz YQFRYQRDWLKJBX-IFMALSPDSA-N 0 3 498.672 3.249 20 0 JGADHN Cc1nc([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CCN3CCC[C@H]3C)C2)sc1C ZINC001304045430 1067088013 /nfs/dbraw/zinc/08/80/13/1067088013.db2.gz PQVKQYSPPUZADG-APWZRJJASA-N 0 3 459.664 3.358 20 0 JGADHN Cc1nc([C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CCN3CCC[C@@H]3C)C2)sc1C ZINC001304045432 1067088099 /nfs/dbraw/zinc/08/80/99/1067088099.db2.gz PQVKQYSPPUZADG-QFBILLFUSA-N 0 3 459.664 3.358 20 0 JGADHN Cc1c(CN(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](c2ccccc2)N(C)C)cnn1C ZINC001304079695 1067124393 /nfs/dbraw/zinc/12/43/93/1067124393.db2.gz PSWJMFNFEMEVNP-BVAGGSTKSA-N 0 3 481.645 3.300 20 0 JGADHN CC(C)[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)N1CCCC1 ZINC001302512485 1067125502 /nfs/dbraw/zinc/12/55/02/1067125502.db2.gz CSPMSXGLYWUOPN-WOJBJXKFSA-N 0 3 466.051 3.342 20 0 JGADHN Cc1c(CN(C)c2nnc(Cc3cccnc3)n2C[C@@H](c2cccs2)N(C)C)cnn1C ZINC001304092058 1067135262 /nfs/dbraw/zinc/13/52/62/1067135262.db2.gz PMZFHQOPRAJBNB-FQEVSTJZSA-N 0 3 450.616 3.307 20 0 JGADHN Cc1ncsc1CN(C)c1nnc(Cc2ccc(F)cc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001304092884 1067137031 /nfs/dbraw/zinc/13/70/31/1067137031.db2.gz CSNHFNGUWGGPFD-UHFFFAOYSA-N 0 3 471.650 3.435 20 0 JGADHN CC(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)N1CCCC1 ZINC001302523053 1067143384 /nfs/dbraw/zinc/14/33/84/1067143384.db2.gz HJJLNTYZZQNAHH-RDGPPVDQSA-N 0 3 473.634 3.028 20 0 JGADHN CC(C)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(F)c(F)c(F)c1)N1CCCC1 ZINC001302527542 1067154128 /nfs/dbraw/zinc/15/41/28/1067154128.db2.gz YIISHQKXVGREIA-YLJYHZDGSA-N 0 3 499.603 3.354 20 0 JGADHN CC(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(C(C)(C)C)CC1)c1cccnc1 ZINC001302528974 1067157189 /nfs/dbraw/zinc/15/71/89/1067157189.db2.gz PGQRFGPKFOCGHY-OAQYLSRUSA-N 0 3 453.635 3.156 20 0 JGADHN Cc1c(Cl)cccc1Cn1c(C(=O)NC(C)C)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001304127503 1067165532 /nfs/dbraw/zinc/16/55/32/1067165532.db2.gz AMZOVGFIDIJYAI-UHFFFAOYSA-N 0 3 499.063 3.224 20 0 JGADHN CS[C@H](C)Cn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001302545234 1067179430 /nfs/dbraw/zinc/17/94/30/1067179430.db2.gz HMIRPIRUIPHNGV-WOIUINJBSA-N 0 3 456.660 3.076 20 0 JGADHN CS[C@H](C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001302547824 1067183468 /nfs/dbraw/zinc/18/34/68/1067183468.db2.gz SOFJGPOOGJGJAG-QGZVFWFLSA-N 0 3 463.051 3.094 20 0 JGADHN Cc1cc([C@](C)(O)Cn2c(CC(C)C)nnc2N2CC[C@@H](N3CCN(C(C)C)CC3)C2)c(C)o1 ZINC001304152339 1067199171 /nfs/dbraw/zinc/19/91/71/1067199171.db2.gz MNEMJSGLRDAPFZ-ATIYNZHBSA-N 0 3 472.678 3.199 20 0 JGADHN Cc1cc([C@@](C)(O)Cn2c(N3CCN(CC(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)c(C)o1 ZINC001304157153 1067205159 /nfs/dbraw/zinc/20/51/59/1067205159.db2.gz WCZLRIZQRJPVET-UIOOFZCWSA-N 0 3 489.661 3.214 20 0 JGADHN CC(C)(C)OC(=O)N1CCc2n[nH]c(C(=O)NC[C@H]3CCCCN3Cc3ccccc3)c2C1 ZINC001302569776 1067208694 /nfs/dbraw/zinc/20/86/94/1067208694.db2.gz LDDJRSQVVKCTCI-LJQANCHMSA-N 0 3 453.587 3.487 20 0 JGADHN CC(C)c1nnc(N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001302571783 1067211763 /nfs/dbraw/zinc/21/17/63/1067211763.db2.gz GOHZSJMCHQVGNQ-NRFANRHFSA-N 0 3 469.678 3.083 20 0 JGADHN Cc1cc(C)cc(OCc2nnc(N3CC=CCC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)c1 ZINC001304170418 1067218197 /nfs/dbraw/zinc/21/81/97/1067218197.db2.gz KTAIUMLMPLBXAF-QHCPKHFHSA-N 0 3 466.630 3.183 20 0 JGADHN CS[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCN(C[C@@H]2CCOC2)CC1)C(C)(C)C ZINC001302587807 1067224691 /nfs/dbraw/zinc/22/46/91/1067224691.db2.gz GBKWYLJEJQOMRN-FPOVZHCZSA-N 0 3 458.676 3.200 20 0 JGADHN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H]3C)n2CCCN2CCC[C@H]2C(=O)N(C)C)c1 ZINC001304178404 1067227851 /nfs/dbraw/zinc/22/78/51/1067227851.db2.gz IMDZHXLZNWOGIY-GGAORHGYSA-N 0 3 468.646 3.405 20 0 JGADHN CC(C)c1nnc(N(C)CCN2C(=O)c3ccccc3C2=O)n1C[C@@H](c1cccs1)N(C)C ZINC001302592956 1067230526 /nfs/dbraw/zinc/23/05/26/1067230526.db2.gz HMNKLAUJMBVJMP-IBGZPJMESA-N 0 3 466.611 3.498 20 0 JGADHN CC(C)c1nnc(N(C)CCN2CCOC(C)(C)C2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001302593272 1067231721 /nfs/dbraw/zinc/23/17/21/1067231721.db2.gz MAPWBLAZTIPELW-XMMPIXPASA-N 0 3 484.689 3.240 20 0 JGADHN Cc1cc(C)cc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H](C2CCCCC2)N(C)C)c1 ZINC001304183327 1067233915 /nfs/dbraw/zinc/23/39/15/1067233915.db2.gz IDNMILQJDJTBFG-QHCPKHFHSA-N 0 3 489.686 3.219 20 0 JGADHN Cc1cc(C)cc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CCCN2C[C@@H](C)C[C@H](C)C2)c1 ZINC001304185037 1067235640 /nfs/dbraw/zinc/23/56/40/1067235640.db2.gz SBKJHOBQFZHHSO-VXKWHMMOSA-N 0 3 489.686 3.077 20 0 JGADHN Cc1cc(-c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2CC(C)(C)CN(C)C)c2ccccc2n1 ZINC001304189439 1067239103 /nfs/dbraw/zinc/23/91/03/1067239103.db2.gz MKXLNSULOUGRQI-SFHVURJKSA-N 0 3 472.659 3.259 20 0 JGADHN Cc1cc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2CC(C)(C)CN(C)C)c2ccccc2n1 ZINC001304189438 1067239234 /nfs/dbraw/zinc/23/92/34/1067239234.db2.gz MKXLNSULOUGRQI-GOSISDBHSA-N 0 3 472.659 3.259 20 0 JGADHN Cc1cc(CN(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCC[C@@H]2C)no1 ZINC001304198943 1067248729 /nfs/dbraw/zinc/24/87/29/1067248729.db2.gz ZVMPLXNOCBPKIJ-INIZCTEOSA-N 0 3 471.993 3.279 20 0 JGADHN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1cnnn1C ZINC001304233695 1067272745 /nfs/dbraw/zinc/27/27/45/1067272745.db2.gz YBMHSVMIIWXHQW-UHFFFAOYSA-N 0 3 487.052 3.349 20 0 JGADHN CS[C@H]1CCCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(N(C)C)CCSC2)C1 ZINC001302663582 1067290512 /nfs/dbraw/zinc/29/05/12/1067290512.db2.gz OSTWYJXTDIPKKG-JTSKRJEESA-N 0 3 475.688 3.085 20 0 JGADHN CS[C@@H]1CCCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(C)Cc2ccc(F)cc2)C1 ZINC001302670746 1067296749 /nfs/dbraw/zinc/29/67/49/1067296749.db2.gz BGNIYMHFKRPCDT-UXHICEINSA-N 0 3 460.623 3.222 20 0 JGADHN CC(C)c1nnc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1C[C@H](c1ccccc1)N(C)C ZINC001302689718 1067314474 /nfs/dbraw/zinc/31/44/74/1067314474.db2.gz PKRGIBGUHQZQEE-LADGPHEKSA-N 0 3 481.689 3.227 20 0 JGADHN Cc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)N(C)C)cc1 ZINC001304276737 1067315087 /nfs/dbraw/zinc/31/50/87/1067315087.db2.gz URUHZZSHOVECIU-LEWJYISDSA-N 0 3 499.660 3.131 20 0 JGADHN Cc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)N(C)C)cc1 ZINC001304276738 1067315478 /nfs/dbraw/zinc/31/54/78/1067315478.db2.gz URUHZZSHOVECIU-NHCUHLMSSA-N 0 3 499.660 3.131 20 0 JGADHN Cc1ccc([C@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCN(CC(C)C)C(=O)C2)N(C)C)cc1 ZINC001304277987 1067317113 /nfs/dbraw/zinc/31/71/13/1067317113.db2.gz HQRBSRIMMOFBNW-PKTZIBPZSA-N 0 3 468.646 3.088 20 0 JGADHN Cc1ccc([C@H](Cn2c(N3CCC(CO)CC3)nnc2[C@]2(OC(C)C)CCOC2)N(C)C)cc1 ZINC001304278569 1067318641 /nfs/dbraw/zinc/31/86/41/1067318641.db2.gz SLBXADNLOOGYDS-OZXSUGGESA-N 0 3 471.646 3.139 20 0 JGADHN Cc1ccc([C@@H](Cn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)OCC(C)C)CC2)N(C)C)cc1 ZINC001304278774 1067319352 /nfs/dbraw/zinc/31/93/52/1067319352.db2.gz NYLRCGLIOVOFEN-XZOQPEGZSA-N 0 3 484.645 3.308 20 0 JGADHN Cc1ccc([C@H](Cn2c([C@H]3CCOC3)nnc2N(C)CC2COC(C)(C)OC2)N(C)C)cc1 ZINC001304279258 1067319833 /nfs/dbraw/zinc/31/98/33/1067319833.db2.gz SVKPWQOMGDRKLO-VXKWHMMOSA-N 0 3 457.619 3.229 20 0 JGADHN CSC[C@@H]1CCCN1c1nnc(CC(C)(C)C)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001302707414 1067329021 /nfs/dbraw/zinc/32/90/21/1067329021.db2.gz QOTURGJOQCHENW-RBUKOAKNSA-N 0 3 450.697 3.141 20 0 JGADHN Cc1ccc(C)c(OCc2nnc(N3CCN(C(=O)[C@H]4CCCN4C)CC3)n2CCCOC(C)C)c1 ZINC001304287889 1067330809 /nfs/dbraw/zinc/33/08/09/1067330809.db2.gz ALGWSNRRCAYCFN-HSZRJFAPSA-N 0 3 498.672 3.032 20 0 JGADHN Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CC(=O)N(CCOc4ccccc4Cl)C3)C2)cc1 ZINC001302723894 1067339110 /nfs/dbraw/zinc/33/91/10/1067339110.db2.gz NTQCFJYEICEKBX-LEWJYISDSA-N 0 3 455.986 3.266 20 0 JGADHN CC(C)[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCCC[C@@H]2C)C1 ZINC001302732511 1067346529 /nfs/dbraw/zinc/34/65/29/1067346529.db2.gz VXZFMWIZFUBCJJ-HBMCJLEFSA-N 0 3 451.681 3.317 20 0 JGADHN CC(C)[C@H]1CCCN1c1nnc(Cc2ccsc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001302743238 1067352466 /nfs/dbraw/zinc/35/24/66/1067352466.db2.gz JYWFZUZWTXKPQH-NHCUHLMSSA-N 0 3 458.676 3.498 20 0 JGADHN Cc1ccc(-c2nnc(N3CCC(OC(C)C)CC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)o1 ZINC001304314364 1067361768 /nfs/dbraw/zinc/36/17/68/1067361768.db2.gz BCRFCGKEDZZLMS-NRFANRHFSA-N 0 3 472.634 3.183 20 0 JGADHN Cc1ccc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)o1 ZINC001304346301 1067388982 /nfs/dbraw/zinc/38/89/82/1067388982.db2.gz NLEDAEAZOABAER-LYHRCORUSA-N 0 3 463.648 3.229 20 0 JGADHN CC(C)C[C@@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@H](S(C)(=O)=O)C1)N(C)C ZINC001302816325 1067403178 /nfs/dbraw/zinc/40/31/78/1067403178.db2.gz GTHQKARJIHLHMD-ROUUACIJSA-N 0 3 458.632 3.026 20 0 JGADHN CC(C)C[C@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1)N(C)C ZINC001302816324 1067403185 /nfs/dbraw/zinc/40/31/85/1067403185.db2.gz GTHQKARJIHLHMD-QZTJIDSGSA-N 0 3 458.632 3.026 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C)[C@@H]3C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)cc1C ZINC001304376715 1067418554 /nfs/dbraw/zinc/41/85/54/1067418554.db2.gz AGEUURHULHSEHE-IEIRFRATSA-N 0 3 495.672 3.325 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N(C)CC(=O)NC(C)C)n2C[C@H]2CCCCN2C2CC2)cc1C ZINC001304376641 1067418633 /nfs/dbraw/zinc/41/86/33/1067418633.db2.gz BSLIMLVGEQGNRA-JOCHJYFZSA-N 0 3 481.645 3.125 20 0 JGADHN CC(C)Cc1nnc(N(C)Cc2ncnn2CC(F)F)n1C[C@@H](C)N1CCc2ccccc2C1 ZINC001302851144 1067435507 /nfs/dbraw/zinc/43/55/07/1067435507.db2.gz ZGAUKOQNOSUZQY-GOSISDBHSA-N 0 3 472.588 3.416 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCCN(CC(F)(F)F)CC3)n2CCN2CCCC2)cc1C ZINC001304384714 1067435782 /nfs/dbraw/zinc/43/57/82/1067435782.db2.gz RYOYTDTVUDIYLD-UHFFFAOYSA-N 0 3 493.578 3.317 20 0 JGADHN Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@@H](C(C)C)N2CCCC2)cc1C ZINC001304411613 1067479587 /nfs/dbraw/zinc/47/95/87/1067479587.db2.gz URQRTLQJBODNTN-PKTZIBPZSA-N 0 3 489.686 3.218 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(C4CCOCC4)C[C@@H]3C)n2CCOCC(F)F)cc1C ZINC001304417791 1067490894 /nfs/dbraw/zinc/49/08/94/1067490894.db2.gz CJZPKNWESOKQHC-FQEVSTJZSA-N 0 3 493.599 3.445 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(CCC(C)(C)C)CC3)n2C[C@H]2COCCO2)cc1C ZINC001304419967 1067495295 /nfs/dbraw/zinc/49/52/95/1067495295.db2.gz RAQSZXOXXDWGJH-QHCPKHFHSA-N 0 3 471.646 3.448 20 0 JGADHN CC(C)Cc1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001302928266 1067505952 /nfs/dbraw/zinc/50/59/52/1067505952.db2.gz DNUHEENUUZOXNW-LEWJYISDSA-N 0 3 462.683 3.203 20 0 JGADHN Cc1ccc(OCCN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C(C)C)N2CCCC2)cc1 ZINC001304429566 1067506976 /nfs/dbraw/zinc/50/69/76/1067506976.db2.gz QUALIODSFLSCPI-GMAHTHKFSA-N 0 3 489.686 3.124 20 0 JGADHN CC(C)Cc1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1C[C@@H](c1cccs1)N(C)C ZINC001302937799 1067511447 /nfs/dbraw/zinc/51/14/47/1067511447.db2.gz CHRJRDPVPOPSJC-RTWAWAEBSA-N 0 3 460.692 3.390 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)n1C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001302940317 1067514573 /nfs/dbraw/zinc/51/45/73/1067514573.db2.gz ZGFHMBJSOHZJJG-NRFANRHFSA-N 0 3 468.646 3.265 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)n1C[C@H]1CCC[N@H+](C(C)C)C1 ZINC001302940317 1067514582 /nfs/dbraw/zinc/51/45/82/1067514582.db2.gz ZGFHMBJSOHZJJG-NRFANRHFSA-N 0 3 468.646 3.265 20 0 JGADHN FC(F)(F)CSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001302941589 1067515517 /nfs/dbraw/zinc/51/55/17/1067515517.db2.gz NXTAOZHUHLNEIO-KRWDZBQOSA-N 0 3 463.570 3.116 20 0 JGADHN Cc1ccc(SCc2nnc(N3CCN(CC(C)C)CC3)n2CCNC(=O)C2CC2)cc1 ZINC001304436887 1067515612 /nfs/dbraw/zinc/51/56/12/1067515612.db2.gz IQDXPFGZDPMYCK-UHFFFAOYSA-N 0 3 456.660 3.183 20 0 JGADHN FC(F)(F)CSCCn1c(-c2ccccc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001302941115 1067515607 /nfs/dbraw/zinc/51/56/07/1067515607.db2.gz INNGTAGMDVDABS-QGZVFWFLSA-N 0 3 455.550 3.399 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccnc(OC2CCOCC2)c1 ZINC001302944751 1067517722 /nfs/dbraw/zinc/51/77/22/1067517722.db2.gz ABFMNYOICQNVRG-UHFFFAOYSA-N 0 3 456.635 3.398 20 0 JGADHN Cc1ccc(SCc2nnc(N3CCS(=O)(=O)CC3)n2CCCN2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001304441073 1067521787 /nfs/dbraw/zinc/52/17/87/1067521787.db2.gz QPEGVQNZTDYAMB-NHCUHLMSSA-N 0 3 491.727 3.482 20 0 JGADHN Cc1cccc(C)c1NC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001304447296 1067528302 /nfs/dbraw/zinc/52/83/02/1067528302.db2.gz QLZOJUWVVMJVIB-UHFFFAOYSA-N 0 3 495.672 3.214 20 0 JGADHN Cc1cccc(-c2nnc(N(C)CC(=O)Nc3cc(F)cc(F)c3)n2CCN2CC=CCC2)n1 ZINC001304452779 1067534050 /nfs/dbraw/zinc/53/40/50/1067534050.db2.gz GQXFFQVRAYFZFX-UHFFFAOYSA-N 0 3 467.524 3.264 20 0 JGADHN Fc1ccccc1Cc1nnc(N2CCC(CN3CCOCC3)CC2)n1CCCOC(F)F ZINC001302970797 1067538898 /nfs/dbraw/zinc/53/88/98/1067538898.db2.gz OWHLVPSOYFCQOG-UHFFFAOYSA-N 0 3 467.536 3.186 20 0 JGADHN Fc1ccc(OCc2nnc(N3CCN(C[C@H]4CCOC4)CC3)n2CCCOC(F)(F)F)cc1 ZINC001302970734 1067538949 /nfs/dbraw/zinc/53/89/49/1067538949.db2.gz XBVXJDSRMUVLAF-QGZVFWFLSA-N 0 3 487.498 3.081 20 0 JGADHN Cc1cccc(-c2nnc(N(C)CCNC(=O)C(C)C)n2C[C@H](c2ccsc2)N(C)C)n1 ZINC001304459995 1067539525 /nfs/dbraw/zinc/53/95/25/1067539525.db2.gz MRFRGNGCGFINEI-HXUWFJFHSA-N 0 3 455.632 3.221 20 0 JGADHN Cc1cccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2C[C@H](c2cccs2)N(C)C)n1 ZINC001304468503 1067547235 /nfs/dbraw/zinc/54/72/35/1067547235.db2.gz GFSRCTATUVGBFU-LJQANCHMSA-N 0 3 453.616 3.105 20 0 JGADHN CC(C)C[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)N2CCc3ccccc3C2)C1 ZINC001302990448 1067552031 /nfs/dbraw/zinc/55/20/31/1067552031.db2.gz FFXXPSCATPLMPE-NJYVYQBISA-N 0 3 488.702 3.208 20 0 JGADHN Cc1cccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2Cc2cccc(OCC(=O)N(C)C)c2)n1 ZINC001304476997 1067555227 /nfs/dbraw/zinc/55/52/27/1067555227.db2.gz LUCGTKFWHCYWRF-UHFFFAOYSA-N 0 3 491.640 3.084 20 0 JGADHN Cc1cccc(CCCn2c(C(=O)NC(C)C)nnc2N2CCN(CCC(C)(C)C)CC2)n1 ZINC001304483230 1067562309 /nfs/dbraw/zinc/56/23/09/1067562309.db2.gz UYSUJHZOSZMPCO-UHFFFAOYSA-N 0 3 455.651 3.311 20 0 JGADHN Cc1cccc(N2CCN(c3nnc(C(C)(C)C)n3CCN3CCN(C)C(C)(C)C3)CC2)c1 ZINC001304497992 1067573508 /nfs/dbraw/zinc/57/35/08/1067573508.db2.gz KOCHGRXIVUISSE-UHFFFAOYSA-N 0 3 453.679 3.237 20 0 JGADHN CC(C)CC[C@@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001303022232 1067574221 /nfs/dbraw/zinc/57/42/21/1067574221.db2.gz NLYDKHZIGULBPP-XMMPIXPASA-N 0 3 476.691 3.377 20 0 JGADHN Cc1cccc(OCc2nnc(N3CCN(CCC(C)(C)C)CC3)n2C[C@@]2(O)CCO[C@@H]2C)c1 ZINC001304511357 1067586873 /nfs/dbraw/zinc/58/68/73/1067586873.db2.gz ACRQOHMVHXJPNJ-RLWLMLJZSA-N 0 3 471.646 3.264 20 0 JGADHN Cc1ccccc1-c1nnc(N(C)CC(C)(C)CN2CCOCC2)n1C[C@@H](C)CN1CCOCC1 ZINC001304524686 1067598265 /nfs/dbraw/zinc/59/82/65/1067598265.db2.gz JSLSXUZHTNXMKL-QFIPXVFZSA-N 0 3 484.689 3.016 20 0 JGADHN Cc1ccccc1-c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCSCC(F)(F)F ZINC001304534827 1067605419 /nfs/dbraw/zinc/60/54/19/1067605419.db2.gz IRIMBKPHBQWYHA-UHFFFAOYSA-N 0 3 496.603 3.293 20 0 JGADHN Cc1ccccc1Cc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CC[C@H](C)N1CCCCC1 ZINC001304547944 1067616854 /nfs/dbraw/zinc/61/68/54/1067616854.db2.gz RQVQKQKNKKQXJQ-RBBKRZOGSA-N 0 3 459.660 3.065 20 0 JGADHN Cc1ccccc1Cc1nnc(N2CCC[C@@H](CN3CCCC[C@@H]3C)C2)n1CCS(C)(=O)=O ZINC001304556775 1067625665 /nfs/dbraw/zinc/62/56/65/1067625665.db2.gz NUXKCQTYTMZACL-VXKWHMMOSA-N 0 3 473.687 3.313 20 0 JGADHN Cc1ccccc1Cc1nnc(N2CCC[C@H](CN3CCCC[C@H]3C)C2)n1CCS(C)(=O)=O ZINC001304556773 1067625683 /nfs/dbraw/zinc/62/56/83/1067625683.db2.gz NUXKCQTYTMZACL-FGZHOGPDSA-N 0 3 473.687 3.313 20 0 JGADHN Cc1ccccc1Cc1nnc(N2CCC[C@H](CN3CCCC[C@@H]3C)C2)n1CCS(C)(=O)=O ZINC001304556771 1067625715 /nfs/dbraw/zinc/62/57/15/1067625715.db2.gz NUXKCQTYTMZACL-FCHUYYIVSA-N 0 3 473.687 3.313 20 0 JGADHN Cc1ccccc1Cc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCN(C)C(=O)OC(C)(C)C ZINC001304560614 1067630252 /nfs/dbraw/zinc/63/02/52/1067630252.db2.gz HKDYAFWFILVJKH-QFIPXVFZSA-N 0 3 498.672 3.203 20 0 JGADHN Cc1ccccc1Cc1nnc(N2CCN(CC(C)C)CC2)n1CCNC(=O)OC(C)(C)C ZINC001304561968 1067632225 /nfs/dbraw/zinc/63/22/25/1067632225.db2.gz SEQRDAHIANWOLW-UHFFFAOYSA-N 0 3 456.635 3.480 20 0 JGADHN Cc1ccccc1Cc1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@H](C)N1CCOCC1 ZINC001304562469 1067633093 /nfs/dbraw/zinc/63/30/93/1067633093.db2.gz WMAISVBPGBJENO-QHCPKHFHSA-N 0 3 468.690 3.456 20 0 JGADHN Cc1ccccc1CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@@H](C)C[C@H](C)C1 ZINC001304567070 1067635319 /nfs/dbraw/zinc/63/53/19/1067635319.db2.gz GIYBVZGTALRINF-SXWKCWPCSA-N 0 3 473.687 3.493 20 0 JGADHN Cc1ccccc1CN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccsc2)N(C)C)CC1 ZINC001304571338 1067639571 /nfs/dbraw/zinc/63/95/71/1067639571.db2.gz ZCZJCBSVTPJTKG-HSZRJFAPSA-N 0 3 495.697 3.411 20 0 JGADHN CC(C)CCOc1ccc(-c2nnc(N3CCN(C[C@@H]4CCOC4)CC3)n2CC(C)(C)O)cc1 ZINC001303101286 1067639837 /nfs/dbraw/zinc/63/98/37/1067639837.db2.gz JMZURPVMELTYFW-NRFANRHFSA-N 0 3 471.646 3.299 20 0 JGADHN CC(C)CCOc1ccc(-c2nnc(N3CCN(C[C@H]4CCOC4)CC3)n2CC(C)(C)O)cc1 ZINC001303101289 1067639881 /nfs/dbraw/zinc/63/98/81/1067639881.db2.gz JMZURPVMELTYFW-OAQYLSRUSA-N 0 3 471.646 3.299 20 0 JGADHN Cc1ccccc1O[C@@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001304572436 1067641153 /nfs/dbraw/zinc/64/11/53/1067641153.db2.gz GXJYCHKYIOWVGF-FCHUYYIVSA-N 0 3 482.673 3.385 20 0 JGADHN CC(C)CCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001303111511 1067649578 /nfs/dbraw/zinc/64/95/78/1067649578.db2.gz AAPYCPADIABTHN-UHFFFAOYSA-N 0 3 489.064 3.406 20 0 JGADHN CC(C)CCOCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCN(CC(C)C)CC1 ZINC001303120404 1067660114 /nfs/dbraw/zinc/66/01/14/1067660114.db2.gz UDRLNEZTUOLILQ-UHFFFAOYSA-N 0 3 467.618 3.435 20 0 JGADHN Cc1cnn([C@@H]2CCCN(c3nnc(CC(C)(C)C)n3CCN3CCN(C)C(C)(C)C3)C2)c1 ZINC001304600601 1067664542 /nfs/dbraw/zinc/66/45/42/1067664542.db2.gz PHAXLEHYFUQPFS-OAQYLSRUSA-N 0 3 456.683 3.239 20 0 JGADHN OCCCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001303158666 1067694365 /nfs/dbraw/zinc/69/43/65/1067694365.db2.gz ZQUIRDBKRNZVFD-UHFFFAOYSA-N 0 3 466.051 3.015 20 0 JGADHN CC(C)CN1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)c2cccc(O)c2)C1 ZINC001303176711 1067709689 /nfs/dbraw/zinc/70/96/89/1067709689.db2.gz FGPVSJAFRHVXLK-URVUXULASA-N 0 3 489.686 3.451 20 0 JGADHN Cc1nc(C)c(CCn2c(N3CCN(CC(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)s1 ZINC001304641857 1067710058 /nfs/dbraw/zinc/71/00/58/1067710058.db2.gz NURVTXDKCOLVGA-XMMPIXPASA-N 0 3 476.691 3.413 20 0 JGADHN CC(C)CN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccccc2F)CC1 ZINC001303177501 1067710165 /nfs/dbraw/zinc/71/01/65/1067710165.db2.gz CSPVPEUAOJVXLS-UHFFFAOYSA-N 0 3 451.550 3.085 20 0 JGADHN CC(C)CN1CCC[C@H](Cn2c(Cc3ccccn3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001303178839 1067712478 /nfs/dbraw/zinc/71/24/78/1067712478.db2.gz OFJAOZGGBCMUQH-JTHBVZDNSA-N 0 3 488.702 3.035 20 0 JGADHN CC(C)CN1CCC[C@H](Cn2c(CCc3ccccc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001303179457 1067713712 /nfs/dbraw/zinc/71/37/12/1067713712.db2.gz WFSZEVMIJMGIAX-GOTSBHOMSA-N 0 3 473.687 3.055 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCN2CCOCC2)CC1 ZINC001303183148 1067715884 /nfs/dbraw/zinc/71/58/84/1067715884.db2.gz IECSWSNNHXASLL-UHFFFAOYSA-N 0 3 465.017 3.238 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCNC(=O)C(C)(C)C)CC1 ZINC001303184701 1067718049 /nfs/dbraw/zinc/71/80/49/1067718049.db2.gz ZKWCSEABKOHEBJ-IBGZPJMESA-N 0 3 474.625 3.498 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC(C)(C)O)CC1 ZINC001303185575 1067720988 /nfs/dbraw/zinc/72/09/88/1067720988.db2.gz HORGZNLOMKMSTJ-UHFFFAOYSA-N 0 3 454.388 3.396 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCOC[C@@H]2CCOC2)CC1 ZINC001303185798 1067721309 /nfs/dbraw/zinc/72/13/09/1067721309.db2.gz NHRDSMXLBAMPPQ-IBGZPJMESA-N 0 3 463.026 3.215 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@]2(O)CCO[C@H]2C)CC1 ZINC001303185876 1067721327 /nfs/dbraw/zinc/72/13/27/1067721327.db2.gz PCQCRDZNMPEHFR-KSFYIVLOSA-N 0 3 496.425 3.165 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCSCCCO)CC1 ZINC001303186032 1067722045 /nfs/dbraw/zinc/72/20/45/1067722045.db2.gz ULBNECBDPRFVHJ-UHFFFAOYSA-N 0 3 454.644 3.387 20 0 JGADHN Cc1nc(Cc2nnc(N(C)CCCS(C)(=O)=O)n2C[C@]2(N(C)C)CCC[C@H](C)C2)cs1 ZINC001304656225 1067724717 /nfs/dbraw/zinc/72/47/17/1067724717.db2.gz IIFCUOZZLBXILN-JTSKRJEESA-N 0 3 482.720 3.015 20 0 JGADHN CC(C)CN1CCN(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC(C)(C)O)CC1 ZINC001303191746 1067726174 /nfs/dbraw/zinc/72/61/74/1067726174.db2.gz HJAZEKLKBZUGCZ-UHFFFAOYSA-N 0 3 478.682 3.332 20 0 JGADHN CC(C)CN1CCN(c2nnc(Cc3cccnc3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)CC1 ZINC001303197543 1067732240 /nfs/dbraw/zinc/73/22/40/1067732240.db2.gz WGAWZWLZHQZNDT-XMMPIXPASA-N 0 3 488.558 3.492 20 0 JGADHN CC(C)CN1CCN(c2nnc(COc3ccccc3F)n2CCNC(=O)OC(C)(C)C)CC1 ZINC001303198552 1067733796 /nfs/dbraw/zinc/73/37/96/1067733796.db2.gz DXLZQNJGWVGHGY-UHFFFAOYSA-N 0 3 476.597 3.299 20 0 JGADHN Cc1nc(Cc2nnc(N3CCC(OC(C)(C)C)CC3)n2CCN2CCN(C)C(C)(C)C2)cs1 ZINC001304666913 1067734466 /nfs/dbraw/zinc/73/44/66/1067734466.db2.gz VJBHUDCENWQJQB-UHFFFAOYSA-N 0 3 489.734 3.444 20 0 JGADHN CC(C)COC(=O)N1CCCN(c2nnc([C@@H]3CCCCO3)n2CCN2CCCCC2)CC1 ZINC001303211616 1067749238 /nfs/dbraw/zinc/74/92/38/1067749238.db2.gz YIRRGIZXUMTVCM-NRFANRHFSA-N 0 3 462.639 3.310 20 0 JGADHN CC(C)COC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001303215348 1067752592 /nfs/dbraw/zinc/75/25/92/1067752592.db2.gz KBUIVKUBHGGTHR-RBUKOAKNSA-N 0 3 476.647 3.061 20 0 JGADHN CC(C)CO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2cccs2)N(C)C)C1 ZINC001303230516 1067765086 /nfs/dbraw/zinc/76/50/86/1067765086.db2.gz QAWSDVICPIVKEQ-RTBURBONSA-N 0 3 460.648 3.016 20 0 JGADHN CC(C)COCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001303235188 1067767391 /nfs/dbraw/zinc/76/73/91/1067767391.db2.gz KPVFEPXFYIJCOH-UHFFFAOYSA-N 0 3 491.706 3.221 20 0 JGADHN Cc1nccc(N2CCN(c3nnc(CC(C)C)n3C[C@@H](c3ccc(F)cc3)N(C)C)CC2)n1 ZINC001304701516 1067772604 /nfs/dbraw/zinc/77/26/04/1067772604.db2.gz GRBWTUXPCPCVNQ-QFIPXVFZSA-N 0 3 466.609 3.344 20 0 JGADHN COC1(c2nccn2C)CCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC001303254529 1067779530 /nfs/dbraw/zinc/77/95/30/1067779530.db2.gz ZUMOGEQEWOJZJW-OAQYLSRUSA-N 0 3 450.505 3.339 20 0 JGADHN Cc1nn(C)c(C)c1CN(C)c1nnc(-c2cnn(C)c2)n1C[C@@H](c1cccs1)N(C)C ZINC001304718510 1067790021 /nfs/dbraw/zinc/79/00/21/1067790021.db2.gz ACVGQFRIBLKTEB-IBGZPJMESA-N 0 3 453.620 3.030 20 0 JGADHN Cc1nn(C)c(C)c1Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(C)C)CC1 ZINC001304723707 1067795440 /nfs/dbraw/zinc/79/54/40/1067795440.db2.gz OXOJBSQXZOEPJL-UHFFFAOYSA-N 0 3 475.439 3.212 20 0 JGADHN CC(C)N(C)CCn1c(-c2cccc(Br)c2)nnc1N(CCS(C)(=O)=O)C1CC1 ZINC001303268677 1067796738 /nfs/dbraw/zinc/79/67/38/1067796738.db2.gz KTIHQVLFJAEKDC-UHFFFAOYSA-N 0 3 484.464 3.061 20 0 JGADHN CC(C)N(C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001303271242 1067799975 /nfs/dbraw/zinc/79/99/75/1067799975.db2.gz OZQATNNTXTZMAY-OAHLLOKOSA-N 0 3 460.431 3.215 20 0 JGADHN CC(C)N(C)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001303276984 1067804710 /nfs/dbraw/zinc/80/47/10/1067804710.db2.gz QFCAQFNFPVXRJA-LJQANCHMSA-N 0 3 481.519 3.479 20 0 JGADHN CC(C)N(CCn1c(Nc2cnn(CC3CCC3)c2)nnc1[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC001303298425 1067823397 /nfs/dbraw/zinc/82/33/97/1067823397.db2.gz UKAVVCUULQPDDU-LJQANCHMSA-N 0 3 463.652 3.039 20 0 JGADHN CC(C)N(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)c(F)c1)C(C)C ZINC001303298940 1067824114 /nfs/dbraw/zinc/82/41/14/1067824114.db2.gz OKGYQMBHTSEMMS-SFHVURJKSA-N 0 3 469.602 3.214 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)OC(C)(C)C3)n2CCN(C)Cc2ccccc2)n1 ZINC001304749998 1067830062 /nfs/dbraw/zinc/83/00/62/1067830062.db2.gz HHDVLCQZMHPAHX-OAQYLSRUSA-N 0 3 451.619 3.275 20 0 JGADHN CC(C)N1CCC[C@@H](Cn2c(COc3ccc(Cl)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001303304114 1067830451 /nfs/dbraw/zinc/83/04/51/1067830451.db2.gz CFPYRRQUSWKWHS-QUCCMNQESA-N 0 3 496.077 3.254 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N3CCCO[C@@H](C)C3)n2C[C@H](c2cccc(F)c2)N(C)C)n1 ZINC001304757993 1067841901 /nfs/dbraw/zinc/84/19/01/1067841901.db2.gz BREIOKAWXQBPOM-SIKLNZKXSA-N 0 3 455.582 3.197 20 0 JGADHN CC(C)N1CCN(C2CCN(c3nnc(-c4ccccc4)n3CC[S@@](=O)C(C)(C)C)CC2)CC1 ZINC001303317483 1067846565 /nfs/dbraw/zinc/84/65/65/1067846565.db2.gz WXVMZNOZYUKFFU-UUWRZZSWSA-N 0 3 486.730 3.487 20 0 JGADHN CC(C)N1CCN([C@@H]2CCN(c3nnc(C(C)(C)C)n3CCCNc3ccccn3)C2)CC1 ZINC001303317513 1067846595 /nfs/dbraw/zinc/84/65/95/1067846595.db2.gz XYVXQDZMRVFGDY-OAQYLSRUSA-N 0 3 454.667 3.078 20 0 JGADHN CC(C)N1CCN([C@H]2CCN(c3nnc(CC(C)(C)C)n3C[C@](C)(O)c3ccsc3)C2)CC1 ZINC001303317766 1067847497 /nfs/dbraw/zinc/84/74/97/1067847497.db2.gz CRCCYECCGBKRBJ-OFVILXPXSA-N 0 3 474.719 3.441 20 0 JGADHN CC(C)N1CCN([C@H]2CCN(c3nnc(Cc4ccsc4)n3CCCOC(F)(F)F)C2)CC1 ZINC001303318047 1067848130 /nfs/dbraw/zinc/84/81/30/1067848130.db2.gz HZAKWARSUUZUPU-IBGZPJMESA-N 0 3 486.608 3.462 20 0 JGADHN CC(C)N1CCN([C@@H]2CCN(c3nnc(C4CCCC4)n3CCOCC(F)(F)C(F)F)C2)CC1 ZINC001303317941 1067848146 /nfs/dbraw/zinc/84/81/46/1067848146.db2.gz FZGOGWPUNBERMX-LJQANCHMSA-N 0 3 490.590 3.457 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C(C)C)C3)n2C[C@@H](c2cccc(F)c2)N(C)C)n1 ZINC001304763699 1067852116 /nfs/dbraw/zinc/85/21/16/1067852116.db2.gz RJSJRVUXXQNOLA-GOTSBHOMSA-N 0 3 469.609 3.443 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@H](c2ccc(F)cc2)N(C)C)n1 ZINC001304764897 1067854166 /nfs/dbraw/zinc/85/41/66/1067854166.db2.gz PAAWKPUZUDWAOR-XQBPLPMBSA-N 0 3 455.582 3.195 20 0 JGADHN CC(C)NC(=O)c1nnc(N(C)Cc2ccc3cnccc3c2)n1C[C@@]1(N(C)C)CCSC1 ZINC001303329337 1067857425 /nfs/dbraw/zinc/85/74/25/1067857425.db2.gz BHOBKOIAJPKPAS-DEOSSOPVSA-N 0 3 467.643 3.038 20 0 JGADHN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C(F)(F)F)cc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001303330676 1067860446 /nfs/dbraw/zinc/86/04/46/1067860446.db2.gz BGSHPPOPEPFLPB-UHFFFAOYSA-N 0 3 495.594 3.098 20 0 JGADHN CC(C)NC(=O)c1nnc(N(C)Cc2ccccn2)n1CC1(N2CCSCC2)CCCCC1 ZINC001303334310 1067863424 /nfs/dbraw/zinc/86/34/24/1067863424.db2.gz PAFOTKGYAXPGKA-UHFFFAOYSA-N 0 3 471.675 3.199 20 0 JGADHN CC(C)NC(=O)c1nnc(N(C)CCc2cccs2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001303340500 1067868715 /nfs/dbraw/zinc/86/87/15/1067868715.db2.gz URQQHRIXHMADDH-QFIPXVFZSA-N 0 3 496.681 3.448 20 0 JGADHN Cc1nnc(CCn2c(CC(C)(C)C)nnc2N(C)C2CCN(CCn3cccn3)CC2)s1 ZINC001304780781 1067876090 /nfs/dbraw/zinc/87/60/90/1067876090.db2.gz MBILDWGEFSNOAT-UHFFFAOYSA-N 0 3 471.679 3.067 20 0 JGADHN CC(C)NC(=O)c1nnc(N2C[C@@H](C)S[C@@H](C)C2)n1CCCN1CCc2ccccc2C1 ZINC001303352968 1067880033 /nfs/dbraw/zinc/88/00/33/1067880033.db2.gz MLXRHXBPQMRONO-KDURUIRLSA-N 0 3 456.660 3.195 20 0 JGADHN Cc1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001304812627 1067888753 /nfs/dbraw/zinc/88/87/53/1067888753.db2.gz ZUTMSPXFWRQTIM-VJBMBRPKSA-N 0 3 484.645 3.227 20 0 JGADHN Cc1noc(C)c1CN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccccc1)N1CCCC1 ZINC001304880033 1067925035 /nfs/dbraw/zinc/92/50/35/1067925035.db2.gz BVFRTGPHQVQRAN-QFIPXVFZSA-N 0 3 465.602 3.495 20 0 JGADHN Cc1cc(CN2CCN(c3nnc(CC(C)C)n3C[C@H](c3cccs3)N(C)C)CC2)on1 ZINC001304899843 1067943722 /nfs/dbraw/zinc/94/37/22/1067943722.db2.gz JBGCRJZGCDUNTJ-HXUWFJFHSA-N 0 3 457.648 3.460 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3ccc(F)cc3F)C2)n1CCN1CCCC(C)(C)C1 ZINC001303416046 1067943736 /nfs/dbraw/zinc/94/37/36/1067943736.db2.gz ZSSXIGKQZDBYIT-OAQYLSRUSA-N 0 3 490.599 3.394 20 0 JGADHN CC(C)NC(=O)c1nnc(N2C[C@@H](F)[C@@H](c3ccccc3)C2)n1CCN1CCCC(C)(C)C1 ZINC001303421872 1067947573 /nfs/dbraw/zinc/94/75/73/1067947573.db2.gz ZRZLUBJOFQQUPD-NHCUHLMSSA-N 0 3 456.610 3.480 20 0 JGADHN C[C@@H]1C[C@H](C)CN(C(C)(C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CC2CC(F)C2)C1 ZINC001304910765 1067953636 /nfs/dbraw/zinc/95/36/36/1067953636.db2.gz IPQDXFVBAYEKMK-QRBPQYNOSA-N 0 3 469.671 3.121 20 0 JGADHN C[C@@H]1C[C@@H](C)CN(C(C)(C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CC2CC(F)C2)C1 ZINC001304910763 1067953695 /nfs/dbraw/zinc/95/36/95/1067953695.db2.gz IPQDXFVBAYEKMK-JAMPWESASA-N 0 3 469.671 3.121 20 0 JGADHN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2cccnc2)n1CC(C)(C)N1C[C@H](C)C[C@H](C)C1 ZINC001304912920 1067956757 /nfs/dbraw/zinc/95/67/57/1067956757.db2.gz RIFXWGUNFWBIRM-WOZUAGRISA-N 0 3 490.718 3.278 20 0 JGADHN CC(C)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001304928396 1067976249 /nfs/dbraw/zinc/97/62/49/1067976249.db2.gz NOKNOPWBTKHNHA-KCZVDYSFSA-N 0 3 465.708 3.421 20 0 JGADHN CC(C)O[C@@]1(c2nnc(N(C)CC3CCOCC3)n2C[C@@H](c2ccccc2)N(C)C)CCOC1 ZINC001303484299 1068007493 /nfs/dbraw/zinc/00/74/93/1068007493.db2.gz OQIDMWHHNDQPOW-OZXSUGGESA-N 0 3 471.646 3.484 20 0 JGADHN CC(C)N1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C2CCC(C)CC2)C1 ZINC001304974626 1068014215 /nfs/dbraw/zinc/01/42/15/1068014215.db2.gz KIGQXEROHQBRAZ-RKDVLTNBSA-N 0 3 451.681 3.316 20 0 JGADHN COc1cc(/C=C/C(=O)NC[C@@H]2CCCC[C@@H]2N2CCOCC2)cc(Br)c1O ZINC001303496384 1068022575 /nfs/dbraw/zinc/02/25/75/1068022575.db2.gz WSAUPTSBZMCMKE-RTQGNFRKSA-N 0 3 453.377 3.184 20 0 JGADHN C[C@H](CS(C)(=O)=O)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC001304983089 1068024805 /nfs/dbraw/zinc/02/48/05/1068024805.db2.gz CRHCUUYHJLBNNQ-IECBHUPTSA-N 0 3 479.666 3.388 20 0 JGADHN C[C@@H]1CCC[C@](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@H](C)[C@@H](C)C2)(N(C)C)C1 ZINC001304983750 1068025889 /nfs/dbraw/zinc/02/58/89/1068025889.db2.gz FMBFLDCNZYIYFV-IFUXXNRASA-N 0 3 451.681 3.173 20 0 JGADHN CC(C)O[C@]1(c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@H](c2ccccc2)N(C)C)CCOC1 ZINC001303507309 1068041519 /nfs/dbraw/zinc/04/15/19/1068041519.db2.gz UIAVXWLZOHWNHM-ZRCGQRJVSA-N 0 3 497.562 3.389 20 0 JGADHN CC(C)O[C@]1(c2nnc(N3CCN(CCC(C)(C)C)CC3)n2C[C@H]2CCC[C@@H](O)C2)CCOC1 ZINC001303507777 1068041906 /nfs/dbraw/zinc/04/19/06/1068041906.db2.gz YTEZFDHHYFAYDF-VVZHRXSXSA-N 0 3 477.694 3.428 20 0 JGADHN CC(C)Oc1ccc(Cn2c(C(C)C)nnc2N(C)C2CCN(CCn3cccn3)CC2)cn1 ZINC001303509061 1068042883 /nfs/dbraw/zinc/04/28/83/1068042883.db2.gz BRSUSIKUOKJMQQ-UHFFFAOYSA-N 0 3 466.634 3.429 20 0 JGADHN C[C@H]1CCCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001305007277 1068049353 /nfs/dbraw/zinc/04/93/53/1068049353.db2.gz DKDVQNLOZWHQTG-FQEVSTJZSA-N 0 3 488.702 3.001 20 0 JGADHN C[C@@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(N(C)C)CCOCC2)CC1 ZINC001305031333 1068089030 /nfs/dbraw/zinc/08/90/30/1068089030.db2.gz OESWSMPYJMPKJC-LJQANCHMSA-N 0 3 475.659 3.086 20 0 JGADHN CC(C)OCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001303567677 1068091224 /nfs/dbraw/zinc/09/12/24/1068091224.db2.gz WPNWWGRJDKRUSI-JOCHJYFZSA-N 0 3 474.625 3.026 20 0 JGADHN C[C@H]1CCCN(CCn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCSCC2)C1 ZINC001305041601 1068096615 /nfs/dbraw/zinc/09/66/15/1068096615.db2.gz FIQQRKPVTWXZIP-KRWDZBQOSA-N 0 3 463.051 3.147 20 0 JGADHN CC(C)SCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001303574820 1068100090 /nfs/dbraw/zinc/10/00/90/1068100090.db2.gz QVQRFOYFZUTJTA-HXUWFJFHSA-N 0 3 477.078 3.483 20 0 JGADHN C[C@H]1CCCN(CCn2c(C(=O)Nc3ccccn3)nnc2N(C)CCOc2ccc(F)cc2)C1 ZINC001305043837 1068100120 /nfs/dbraw/zinc/10/01/20/1068100120.db2.gz TVTJLKYSPUDTJT-IBGZPJMESA-N 0 3 481.576 3.312 20 0 JGADHN C[C@H]1CCCN(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001305043688 1068100331 /nfs/dbraw/zinc/10/03/31/1068100331.db2.gz SKFWKQCFVUIRFN-DLBZAZTESA-N 0 3 465.524 3.436 20 0 JGADHN C[C@H](c1ccc(F)cc1)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCC1 ZINC001303590757 1068111182 /nfs/dbraw/zinc/11/11/82/1068111182.db2.gz DTZXEBDMNPGDHG-IEBWSBKVSA-N 0 3 463.623 3.391 20 0 JGADHN C[C@H](c1ccccc1F)N(C)c1nnc([C@H]2CCCO2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001303613255 1068147477 /nfs/dbraw/zinc/14/74/77/1068147477.db2.gz KOLSLBAANPUSRN-STZQEDGTSA-N 0 3 472.609 3.409 20 0 JGADHN CC1CCN(CCCn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC001305103769 1068171018 /nfs/dbraw/zinc/17/10/18/1068171018.db2.gz NGVAISGYRRZTSM-IBGZPJMESA-N 0 3 495.640 3.283 20 0 JGADHN C[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC001305105404 1068173155 /nfs/dbraw/zinc/17/31/55/1068173155.db2.gz FBLAKITYFMCFDA-RXVVDRJESA-N 0 3 475.037 3.299 20 0 JGADHN CC1CCN(CCCn2c(-c3ccc(Cl)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001305105102 1068173166 /nfs/dbraw/zinc/17/31/66/1068173166.db2.gz HOHMICCUBJLSEC-HXUWFJFHSA-N 0 3 466.051 3.344 20 0 JGADHN CC1CCN(CCn2c(-c3cccnc3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)CC1 ZINC001305106426 1068174114 /nfs/dbraw/zinc/17/41/14/1068174114.db2.gz CVBUNHIMOBMWBD-UHFFFAOYSA-N 0 3 450.509 3.420 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)n1CCN1CCC(C)CC1 ZINC001305106514 1068174788 /nfs/dbraw/zinc/17/47/88/1068174788.db2.gz KOCKGOYQEWHZFO-UZLBHIALSA-N 0 3 457.450 3.168 20 0 JGADHN CC1CCN(CCn2c(C(=O)N3CCCC3)nnc2N2CCC(CC(F)(F)F)CC2)CC1 ZINC001305107432 1068176306 /nfs/dbraw/zinc/17/63/06/1068176306.db2.gz ORBXPPNSIYLDOM-UHFFFAOYSA-N 0 3 456.557 3.415 20 0 JGADHN C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](c1ccco1)N1CCCC1 ZINC001303651684 1068181158 /nfs/dbraw/zinc/18/11/58/1068181158.db2.gz CZLXXZOHRRYPBH-NXWNEQKCSA-N 0 3 472.634 3.327 20 0 JGADHN C[C@@H](Cc1cccs1)Cn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1C(C)(C)C ZINC001303657843 1068189876 /nfs/dbraw/zinc/18/98/76/1068189876.db2.gz ARFZEJPFCSYFPF-IBGZPJMESA-N 0 3 458.676 3.260 20 0 JGADHN C[C@H](CCn1c(-c2ccccn2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)N(C)Cc1ccccc1 ZINC001303664448 1068197310 /nfs/dbraw/zinc/19/73/10/1068197310.db2.gz KTRRALBJVRHZCW-IRLDBZIGSA-N 0 3 482.654 3.264 20 0 JGADHN C[C@H](CCn1c(-c2ccccc2Cl)nnc1N1CCS(=O)(=O)CC1)N1CCCCC1 ZINC001303666519 1068200523 /nfs/dbraw/zinc/20/05/23/1068200523.db2.gz YHTWYLCZVWMAKM-QGZVFWFLSA-N 0 3 452.024 3.098 20 0 JGADHN C[C@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C)C(C)(C)C1)N1CCCCC1 ZINC001303668827 1068203384 /nfs/dbraw/zinc/20/33/84/1068203384.db2.gz QELKXOKZNPMOJA-ZCNNSNEGSA-N 0 3 451.681 3.317 20 0 JGADHN C[C@@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCC(F)(F)F)N(C)Cc1ccccc1 ZINC001303669910 1068204490 /nfs/dbraw/zinc/20/44/90/1068204490.db2.gz WKSWSRXJFXXIBF-PKOBYXMFSA-N 0 3 487.592 3.479 20 0 JGADHN C[C@H](CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@]1(N(C)C)CCSC1)c1ccccc1 ZINC001303674774 1068212894 /nfs/dbraw/zinc/21/28/94/1068212894.db2.gz PPEPHZYWLPEWJJ-NTKDMRAZSA-N 0 3 456.660 3.191 20 0 JGADHN C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CCCO)CC1)N(C)Cc1ccccc1 ZINC001303688470 1068226962 /nfs/dbraw/zinc/22/69/62/1068226962.db2.gz ZDWMYJDISLTKLH-OAQYLSRUSA-N 0 3 468.646 3.024 20 0 JGADHN C[C@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)N(C)C ZINC001303721872 1068270924 /nfs/dbraw/zinc/27/09/24/1068270924.db2.gz IQUKQPHAPPKRQV-KDOFPFPSSA-N 0 3 467.492 3.089 20 0 JGADHN C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)N(C)C1CC1 ZINC001303728258 1068282915 /nfs/dbraw/zinc/28/29/15/1068282915.db2.gz KXUGUHQCXPJHQG-HNNXBMFYSA-N 0 3 450.509 3.094 20 0 JGADHN C[C@@H](Cn1c(CC2CC2)nnc1N1CCN(CC2CCOCC2)CC1)N(C)C(=O)OC(C)(C)C ZINC001303733264 1068289702 /nfs/dbraw/zinc/28/97/02/1068289702.db2.gz SSWDVFCLTAIASP-IBGZPJMESA-N 0 3 476.666 3.035 20 0 JGADHN CC(C)N1CCC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)CC(C)(C)C2)C1 ZINC001305183709 1068301439 /nfs/dbraw/zinc/30/14/39/1068301439.db2.gz RMSIDPITESPJDT-XUVXKRRUSA-N 0 3 451.681 3.173 20 0 JGADHN CC(C)N1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](C)CN2CCOCC2)CC1 ZINC001303753977 1068316060 /nfs/dbraw/zinc/31/60/60/1068316060.db2.gz GBZKWMAIDCGKEY-LJQANCHMSA-N 0 3 491.478 3.206 20 0 JGADHN C[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(CCc2ccccc2)CC1)CN1CCOCC1 ZINC001303760780 1068327067 /nfs/dbraw/zinc/32/70/67/1068327067.db2.gz XMLCKLOJFYYHPV-HSZRJFAPSA-N 0 3 468.690 3.200 20 0 JGADHN C[C@H]1CN(c2nnc(CCc3ccccc3)n2CCN2CCN(C)C(C)(C)C2)C[C@H](C)S1 ZINC001305205541 1068331746 /nfs/dbraw/zinc/33/17/46/1068331746.db2.gz DWNIXOJPBJIBFT-SFTDATJTSA-N 0 3 456.704 3.420 20 0 JGADHN C[C@H](CS(C)(=O)=O)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCN(C)C1CCCC1 ZINC001303771954 1068349117 /nfs/dbraw/zinc/34/91/17/1068349117.db2.gz HSFWQHZDCMAYJC-HXUWFJFHSA-N 0 3 473.687 3.492 20 0 JGADHN C[C@@H](CS(C)(=O)=O)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCN(C)C1CCCC1 ZINC001303771953 1068349359 /nfs/dbraw/zinc/34/93/59/1068349359.db2.gz HSFWQHZDCMAYJC-FQEVSTJZSA-N 0 3 473.687 3.492 20 0 JGADHN C[C@H](N1CCN(c2nnc(-c3cnccn3)n2C[C@H](c2cccs2)N(C)C)CC1)C(F)(F)F ZINC001303789060 1068372014 /nfs/dbraw/zinc/37/20/14/1068372014.db2.gz QVUNVBMUKBDABO-DOTOQJQBSA-N 0 3 480.564 3.172 20 0 JGADHN C[C@H](c1cccs1)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1)N(C)C ZINC001303805520 1068408938 /nfs/dbraw/zinc/40/89/38/1068408938.db2.gz ZCPJTVSPXZSLNO-YQVWRLOYSA-N 0 3 476.672 3.450 20 0 JGADHN C[C@H](NS(C)(=O)=O)c1nnc(N(C)OC2CCCC2)n1C[C@H](c1cccs1)N1CCCC1 ZINC001303820211 1068436156 /nfs/dbraw/zinc/43/61/56/1068436156.db2.gz LTOHAWOETJVSHO-FUHWJXTLSA-N 0 3 482.676 3.097 20 0 JGADHN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001303829088 1068451600 /nfs/dbraw/zinc/45/16/00/1068451600.db2.gz XYYDLVGXWRILES-NXQKYAITSA-N 0 3 492.665 3.345 20 0 JGADHN CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2ccc(CC)cc2)N(C)C)C1 ZINC001305278124 1068480023 /nfs/dbraw/zinc/48/00/23/1068480023.db2.gz OHWZULCMLNXGKT-XPWALMASSA-N 0 3 468.646 3.490 20 0 JGADHN CC[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC001305292048 1068495360 /nfs/dbraw/zinc/49/53/60/1068495360.db2.gz DKEIVHZARDNWLO-AREMUKBSSA-N 0 3 498.075 3.409 20 0 JGADHN CC[C@](C)(O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001305293708 1068498155 /nfs/dbraw/zinc/49/81/55/1068498155.db2.gz IQULBFURVBUJSZ-YPCDYVTLSA-N 0 3 488.652 3.323 20 0 JGADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCCCC3)CC2)n1Cc1cccc(C(F)F)c1 ZINC001303862651 1068500930 /nfs/dbraw/zinc/50/09/30/1068500930.db2.gz JOIJTRJRPRAWLZ-QGZVFWFLSA-N 0 3 496.628 3.329 20 0 JGADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCCCC3)CC2)n1CCC1=CCCCC1 ZINC001303862968 1068501149 /nfs/dbraw/zinc/50/11/49/1068501149.db2.gz MFQMRAHVKYIRBJ-IBGZPJMESA-N 0 3 464.680 3.234 20 0 JGADHN CC[C@](C)(O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001305313058 1068525162 /nfs/dbraw/zinc/52/51/62/1068525162.db2.gz ORZUWPHMDISDMM-RLWLMLJZSA-N 0 3 471.646 3.324 20 0 JGADHN CC[C@](C)(O)Cn1c(CCCc2ccccc2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001305315649 1068529822 /nfs/dbraw/zinc/52/98/22/1068529822.db2.gz UAUUEIMHXMPRTJ-SANMLTNESA-N 0 3 455.647 3.163 20 0 JGADHN CC(C)N(CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC001303893451 1068531974 /nfs/dbraw/zinc/53/19/74/1068531974.db2.gz SXAFUNNSWBLFIT-UYAOXDASSA-N 0 3 481.638 3.299 20 0 JGADHN CC(C)N(CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC001303893449 1068532032 /nfs/dbraw/zinc/53/20/32/1068532032.db2.gz SXAFUNNSWBLFIT-ICSRJNTNSA-N 0 3 481.638 3.299 20 0 JGADHN CC[C@@H](C)[C@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001305316867 1068532155 /nfs/dbraw/zinc/53/21/55/1068532155.db2.gz XXBUYRFWGGLFTK-KBMIEXCESA-N 0 3 471.650 3.281 20 0 JGADHN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C(C)(C)C)CC2)n1CC(=O)NCC1CC1 ZINC001303896933 1068537139 /nfs/dbraw/zinc/53/71/39/1068537139.db2.gz DPFVQHBNNOZLBX-QGZVFWFLSA-N 0 3 458.582 3.004 20 0 JGADHN C[C@H](CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)N1CCCCC1 ZINC001303899809 1068542773 /nfs/dbraw/zinc/54/27/73/1068542773.db2.gz QJGSRAUUWZRIJV-XQBPLPMBSA-N 0 3 493.649 3.445 20 0 JGADHN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC(F)(F)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001303901993 1068545328 /nfs/dbraw/zinc/54/53/28/1068545328.db2.gz WBNLDJKMWQWVGP-QGZVFWFLSA-N 0 3 466.552 3.429 20 0 JGADHN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CC(F)(F)F ZINC001303904261 1068548576 /nfs/dbraw/zinc/54/85/76/1068548576.db2.gz WAEIUBVOMAZFPH-HOTGVXAUSA-N 0 3 457.472 3.278 20 0 JGADHN CC[C@@H](C)[C@@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001305330917 1068557236 /nfs/dbraw/zinc/55/72/36/1068557236.db2.gz VXQIOIMCXRGPOM-IBVKSMDESA-N 0 3 480.661 3.243 20 0 JGADHN CC[C@@H](C)[C@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001305330916 1068557460 /nfs/dbraw/zinc/55/74/60/1068557460.db2.gz VXQIOIMCXRGPOM-FQRUVTKNSA-N 0 3 480.661 3.243 20 0 JGADHN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCNC(=O)C2)n1C[C@H](c1cccs1)N(C)C ZINC001303914524 1068564984 /nfs/dbraw/zinc/56/49/84/1068564984.db2.gz ZXRDVIHBXMBQHZ-MAUKXSAKSA-N 0 3 475.018 3.372 20 0 JGADHN CC[C@H](C)[C@@](C)(O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001305340760 1068575515 /nfs/dbraw/zinc/57/55/15/1068575515.db2.gz XWBGKYAJYYUPEE-HWHXTQLESA-N 0 3 476.065 3.478 20 0 JGADHN CC[C@H](C)[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CCOCC2)CC1)OC ZINC001305356847 1068605941 /nfs/dbraw/zinc/60/59/41/1068605941.db2.gz BEJYNBIDRZUANM-CVDCTZTESA-N 0 3 475.609 3.358 20 0 JGADHN CC[C@@H](C)[C@@H](Cn1c(CCc2ccccc2)nnc1N1CCN(C2CCOCC2)CC1)OC ZINC001305359110 1068610665 /nfs/dbraw/zinc/61/06/65/1068610665.db2.gz MELXHXCORZVOIF-ZJSXRUAMSA-N 0 3 455.647 3.425 20 0 JGADHN CC[C@@H](C)c1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1Cc1cccc(C(=O)N(C)C)c1 ZINC001305367473 1068622754 /nfs/dbraw/zinc/62/27/54/1068622754.db2.gz GCIWUEJGXGPRMK-OAQYLSRUSA-N 0 3 492.672 3.339 20 0 JGADHN CC[C@H](C)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1C[C@H](c1cccc(OC)c1)N1CCCC1 ZINC001305410828 1068649355 /nfs/dbraw/zinc/64/93/55/1068649355.db2.gz OTGQOXWSGVSCHW-NNMXDRDESA-N 0 3 454.619 3.304 20 0 JGADHN CC[C@H](C)c1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CCC1(COC)CCC1 ZINC001305411339 1068650613 /nfs/dbraw/zinc/65/06/13/1068650613.db2.gz KESWARJQFGWCNV-QNWVGRARSA-N 0 3 474.694 3.377 20 0 JGADHN CC[C@H](C)c1nnc(N2C[C@H](N3CCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@H](c1cccs1)N(C)C ZINC001305412983 1068651381 /nfs/dbraw/zinc/65/13/81/1068651381.db2.gz SBGAMXSJVJOJMI-BLKABHOGSA-N 0 3 487.718 3.145 20 0 JGADHN CC[C@H](C)c1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001305414817 1068653287 /nfs/dbraw/zinc/65/32/87/1068653287.db2.gz SAAUDZFXBDNNNL-XSDIEEQYSA-N 0 3 477.698 3.167 20 0 JGADHN CC[C@H](C)c1nnc(N2CC[C@H](C(=O)OC)C2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001305426771 1068664068 /nfs/dbraw/zinc/66/40/68/1068664068.db2.gz QDDDKUXDBRMLLZ-BVSLBCMMSA-N 0 3 455.603 3.082 20 0 JGADHN CC[C@@H](C)c1nnc(N2CC[C@@](C)(N3CCOCC3)C2)n1CCN(CC)CCC(F)(F)F ZINC001305429445 1068667780 /nfs/dbraw/zinc/66/77/80/1068667780.db2.gz MGOCDSPFMXTZEX-WIYYLYMNSA-N 0 3 460.589 3.367 20 0 JGADHN CC[C@H](C)c1nnc(N2CC[C@](C)(N3CCOCC3)C2)n1CCN(CC)CCC(F)(F)F ZINC001305429440 1068667936 /nfs/dbraw/zinc/66/79/36/1068667936.db2.gz MGOCDSPFMXTZEX-RXVVDRJESA-N 0 3 460.589 3.367 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1C[C@@H](c1ccco1)N(CC)CC ZINC001305434506 1068671356 /nfs/dbraw/zinc/67/13/56/1068671356.db2.gz NDSZMAHMTHSNQI-KMEZTADASA-N 0 3 485.633 3.282 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCC(CN3CCOCC3)CC2)n1Cc1cccc(C(=O)N(C)C)c1 ZINC001305442686 1068678283 /nfs/dbraw/zinc/67/82/83/1068678283.db2.gz HBRQVKDVPRLIOC-HXUWFJFHSA-N 0 3 468.646 3.090 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCc1ccc(Cl)c(OC)c1 ZINC001305513188 1068757365 /nfs/dbraw/zinc/75/73/65/1068757365.db2.gz IZYCOWJLFFOFBI-RXVVDRJESA-N 0 3 489.064 3.439 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@H](C)Oc1cccc(C)c1 ZINC001305513914 1068758917 /nfs/dbraw/zinc/75/89/17/1068758917.db2.gz MLQXRVBKYVZYRZ-QNWVGRARSA-N 0 3 468.646 3.310 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1Cc1c(F)cccc1SC ZINC001305514184 1068759505 /nfs/dbraw/zinc/75/95/05/1068759505.db2.gz NSQGFOSUGPWKDI-XLIONFOSSA-N 0 3 474.650 3.444 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCOc1ccccc1Cl ZINC001305514542 1068760706 /nfs/dbraw/zinc/76/07/06/1068760706.db2.gz OOMRULVGYJXVTB-LJQANCHMSA-N 0 3 475.037 3.268 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1CC(C)(C)c1ccccn1 ZINC001305514507 1068760725 /nfs/dbraw/zinc/76/07/25/1068760725.db2.gz PJXHTDFDQBDVFO-FQEVSTJZSA-N 0 3 455.651 3.155 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCc1ccc(C)c(OC)c1 ZINC001305514613 1068761290 /nfs/dbraw/zinc/76/12/90/1068761290.db2.gz OVMOQRUUJVEJBB-HXUWFJFHSA-N 0 3 468.646 3.096 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1Cc1ccccc1-n1ccnc1 ZINC001305515180 1068761854 /nfs/dbraw/zinc/76/18/54/1068761854.db2.gz RZSUUBRNUDBMTE-OAQYLSRUSA-N 0 3 478.645 3.016 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001305515526 1068763085 /nfs/dbraw/zinc/76/30/85/1068763085.db2.gz VNHAFZSXPSBRIX-RBUKOAKNSA-N 0 3 487.718 3.412 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001305520353 1068771985 /nfs/dbraw/zinc/77/19/85/1068771985.db2.gz WPKCCCDVDBBYHE-AWRGLXIESA-N 0 3 499.679 3.367 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(c3ccc(F)cc3)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305527833 1068781705 /nfs/dbraw/zinc/78/17/05/1068781705.db2.gz QGILXAJGWGJZRH-HXUWFJFHSA-N 0 3 457.642 3.283 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C3CCOCC3)CC2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001305529874 1068784827 /nfs/dbraw/zinc/78/48/27/1068784827.db2.gz HXQULNRDYRSIET-LJQANCHMSA-N 0 3 476.666 3.492 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1Cc1ccc(NC(N)=O)cc1 ZINC001305534335 1068794184 /nfs/dbraw/zinc/79/41/84/1068794184.db2.gz JUHXBTPFEZFAMJ-MSOLQXFVSA-N 0 3 455.607 3.020 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1Cc1ccc(NC(N)=O)cc1 ZINC001305534337 1068794280 /nfs/dbraw/zinc/79/42/80/1068794280.db2.gz JUHXBTPFEZFAMJ-ROUUACIJSA-N 0 3 455.607 3.020 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(CC(C)C)CC2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001305537120 1068800378 /nfs/dbraw/zinc/80/03/78/1068800378.db2.gz IMFBOVRONPZGFR-VWNXMTODSA-N 0 3 454.663 3.471 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(CC(F)F)CC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001305539063 1068806346 /nfs/dbraw/zinc/80/63/46/1068806346.db2.gz OMLOKXDOTIDPQK-IFMALSPDSA-N 0 3 476.616 3.470 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001305545715 1068823569 /nfs/dbraw/zinc/82/35/69/1068823569.db2.gz XWLBIWUPDXIAIE-HKUYNNGSSA-N 0 3 482.551 3.335 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCO[C@@H](c3cccc(OC)c3)C2)n1CCCN1CCN(CC)CC1 ZINC001305551731 1068830210 /nfs/dbraw/zinc/83/02/10/1068830210.db2.gz ACKIYIDCCHPKKP-ZJSXRUAMSA-N 0 3 470.662 3.406 20 0 JGADHN CC[C@H](C)c1nnc(Nc2cnn([C@@H]3CC3(F)F)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001305574220 1068847146 /nfs/dbraw/zinc/84/71/46/1068847146.db2.gz QTTHDHRXFDSODH-RYQLBKOJSA-N 0 3 464.565 3.255 20 0 JGADHN CC[C@@H](C)N(C)CCn1c(-c2cc(C)nc3ccccc32)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001305606836 1068874497 /nfs/dbraw/zinc/87/44/97/1068874497.db2.gz IMUGIGQOIKEYJF-MOPGFXCFSA-N 0 3 470.643 3.155 20 0 JGADHN CC[C@@H](C)N(C)CCn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1C1(c2ccccc2)CCC1 ZINC001305617977 1068900666 /nfs/dbraw/zinc/90/06/66/1068900666.db2.gz BIEWIGPUSNCRNG-IRLDBZIGSA-N 0 3 473.687 3.492 20 0 JGADHN CC[C@H](C)NC(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001305626629 1068923914 /nfs/dbraw/zinc/92/39/14/1068923914.db2.gz BXIRCWRFGODOHD-FHWLQOOXSA-N 0 3 472.634 3.186 20 0 JGADHN CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccccc3)n2C[C@H](c2ccsc2)N(C)C)CC1 ZINC001305643945 1068967456 /nfs/dbraw/zinc/96/74/56/1068967456.db2.gz JBJFVPVZTSIRKV-NZQKXSOJSA-N 0 3 495.697 3.346 20 0 JGADHN CC[C@H](C)NC(=O)CN1CCN(c2nnc(C3CCC3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 ZINC001305650410 1068985851 /nfs/dbraw/zinc/98/58/51/1068985851.db2.gz TZHMJZVPOMEGOF-CVDCTZTESA-N 0 3 485.652 3.024 20 0 JGADHN CC[C@@H](c1nnc(N(C)C[C@H]2CCN(C(C)=O)C2)n1CCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001305652711 1068991468 /nfs/dbraw/zinc/99/14/68/1068991468.db2.gz DZRSDRCNMQAVAI-ILBGXUMGSA-N 0 3 495.716 3.151 20 0 JGADHN CC[C@H](c1nnc(N2CCCN(C(C)=O)CC2)n1C[C@H](C)CN1CCN(CC)CC1)c1ccccc1 ZINC001305670566 1069016771 /nfs/dbraw/zinc/01/67/71/1069016771.db2.gz LEKLTWUZJBWJGI-BVAGGSTKSA-N 0 3 495.716 3.152 20 0 JGADHN CC[C@@H](c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1C[C@@]1(O)CCC[C@@H]1C)c1ccccc1 ZINC001305672860 1069021547 /nfs/dbraw/zinc/02/15/47/1069021547.db2.gz NXYWFXPBQALFNZ-SAYMBASOSA-N 0 3 496.700 3.362 20 0 JGADHN CC[C@@H](c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1C[C@@H]1CCC[C@@H](O)C1)c1ccccc1 ZINC001305673055 1069022242 /nfs/dbraw/zinc/02/22/42/1069022242.db2.gz PJUVMUCVGSJKQV-QLBJFCOMSA-N 0 3 496.700 3.362 20 0 JGADHN CC[C@H](c1nnc(N2CCN(CC3CCOCC3)CC2)n1CCC(=O)NC(C)C)c1ccccc1 ZINC001305675110 1069026804 /nfs/dbraw/zinc/02/68/04/1069026804.db2.gz AKCUXFCMNJZPSF-DEOSSOPVSA-N 0 3 482.673 3.283 20 0 JGADHN CC[C@@H](c1nnc(N2CCC[C@@H](OC)C2)n1C[C@@H](C)N1CCN(CC)CC1)c1ccccc1 ZINC001305676574 1069030218 /nfs/dbraw/zinc/03/02/18/1069030218.db2.gz SSBQUNMAERYLAB-GMKZXUHWSA-N 0 3 454.663 3.461 20 0 JGADHN CC[C@@H](c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CCC(=O)NC(C)C)c1ccccc1 ZINC001305676493 1069030632 /nfs/dbraw/zinc/03/06/32/1069030632.db2.gz SWRNULKDTYQISR-XUZZJYLKSA-N 0 3 482.673 3.424 20 0 JGADHN CC[C@H](c1nnc(Nc2ccn(C)n2)n1CCCN1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC001305681858 1069040617 /nfs/dbraw/zinc/04/06/17/1069040617.db2.gz DRGWDSCZUNUARZ-SFTDATJTSA-N 0 3 464.618 3.240 20 0 JGADHN CCC(CC)(Cn1c(Cc2ccncc2)nnc1N1CCC(CN2CCOCC2)CC1)OC ZINC001305697627 1069074294 /nfs/dbraw/zinc/07/42/94/1069074294.db2.gz HBWROMLXRGKFCG-UHFFFAOYSA-N 0 3 456.635 3.018 20 0 JGADHN CCC(CC)[C@@H](CCn1c(C2CCC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)OC ZINC001305701636 1069083364 /nfs/dbraw/zinc/08/33/64/1069083364.db2.gz HWFLRFXSLLPKTC-FCHUYYIVSA-N 0 3 460.667 3.130 20 0 JGADHN CCC(CC)[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCC(C(=O)OC)CC1)N1CCOCC1 ZINC001305702950 1069085361 /nfs/dbraw/zinc/08/53/61/1069085361.db2.gz DYHCHOHQOZPRAQ-XMMPIXPASA-N 0 3 499.656 3.480 20 0 JGADHN CCC(CC)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)O[C@@H](C)C1)N(C)C ZINC001305703728 1069087947 /nfs/dbraw/zinc/08/79/47/1069087947.db2.gz JNGDHRNQJCACQE-SVMVAKDDSA-N 0 3 477.675 3.329 20 0 JGADHN CCC(CC)[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1)N1CCOCC1 ZINC001305705706 1069094172 /nfs/dbraw/zinc/09/41/72/1069094172.db2.gz QYWLWURYXLCAPF-YIXXDRMTSA-N 0 3 498.672 3.053 20 0 JGADHN CCC(CC)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)N(C)C ZINC001305707164 1069098099 /nfs/dbraw/zinc/09/80/99/1069098099.db2.gz QCWDBPXQHLTUBR-AZUAARDMSA-N 0 3 450.653 3.043 20 0 JGADHN CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCNC(=O)CC1)N1CCOCC1 ZINC001305710296 1069107238 /nfs/dbraw/zinc/10/72/38/1069107238.db2.gz UHMDSMAFUNJVFF-NRFANRHFSA-N 0 3 475.037 3.062 20 0 JGADHN CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCNC(=O)CC1)N1CCOCC1 ZINC001305710297 1069107272 /nfs/dbraw/zinc/10/72/72/1069107272.db2.gz UHMDSMAFUNJVFF-OAQYLSRUSA-N 0 3 475.037 3.062 20 0 JGADHN CCC(CC)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)N(C)C ZINC001305711538 1069110490 /nfs/dbraw/zinc/11/04/90/1069110490.db2.gz OPZIMPYCLNZOIS-IFMALSPDSA-N 0 3 476.691 3.418 20 0 JGADHN CCC(CC)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)N(C)C ZINC001305713350 1069115341 /nfs/dbraw/zinc/11/53/41/1069115341.db2.gz UUHYRKIVYZVSDF-FCHUYYIVSA-N 0 3 479.666 3.388 20 0 JGADHN CCC(CC)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)N(C)C ZINC001305713352 1069115370 /nfs/dbraw/zinc/11/53/70/1069115370.db2.gz UUHYRKIVYZVSDF-VXKWHMMOSA-N 0 3 479.666 3.388 20 0 JGADHN CCC(CC)c1cc(Cn2c(N3CCN(C(=O)CN4CCCC4)CC3)nnc2C(C)(C)C)on1 ZINC001305719317 1069127290 /nfs/dbraw/zinc/12/72/90/1069127290.db2.gz OCJYKBJRHHOQDB-UHFFFAOYSA-N 0 3 471.650 3.260 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1CCN1CCC[C@@H]1C ZINC001305726143 1069143474 /nfs/dbraw/zinc/14/34/74/1069143474.db2.gz VTDCCSHAMDZOMG-HNNXBMFYSA-N 0 3 484.571 3.070 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@H]1CCCCN1C1CC1 ZINC001305727809 1069146422 /nfs/dbraw/zinc/14/64/22/1069146422.db2.gz WROOAHNMIMIXNF-GOSISDBHSA-N 0 3 477.057 3.237 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@@H](C)C2)n1Cc1ccccc1CN1CCC(O)CC1 ZINC001305737146 1069159742 /nfs/dbraw/zinc/15/97/42/1069159742.db2.gz ZWLVCAORDFQFLD-PMACEKPBSA-N 0 3 482.673 3.294 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1Cc1ccc2c(n1)CCCC2 ZINC001305737256 1069160334 /nfs/dbraw/zinc/16/03/34/1069160334.db2.gz GZWKUEAXVYDYPM-OALUTQOASA-N 0 3 467.662 3.438 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)N(CC)C[C@@H]2C)n1CCOc1ncccc1Cl ZINC001305738195 1069162928 /nfs/dbraw/zinc/16/29/28/1069162928.db2.gz LVCYFWAMBABUEC-SJORKVTESA-N 0 3 478.041 3.243 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1Cc1cccc(NC(C)=O)c1 ZINC001305741425 1069173692 /nfs/dbraw/zinc/17/36/92/1069173692.db2.gz SBPSYEDJJULVHQ-ZWKOTPCHSA-N 0 3 469.634 3.122 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)N(CC)C[C@H]2C)n1Cc1nnc(C(C)(C)C)s1 ZINC001305742024 1069175435 /nfs/dbraw/zinc/17/54/35/1069175435.db2.gz UGGYDZJSYJTLAO-HZPDHXFCSA-N 0 3 476.695 3.313 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CCC1(F)CCC1 ZINC001305756585 1069211078 /nfs/dbraw/zinc/21/10/78/1069211078.db2.gz IGZMGQRZMZTCKF-OAQYLSRUSA-N 0 3 477.673 3.084 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CCC1(F)CCC1 ZINC001305756582 1069211283 /nfs/dbraw/zinc/21/12/83/1069211283.db2.gz IGZMGQRZMZTCKF-NRFANRHFSA-N 0 3 477.673 3.084 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCc3ccc(O)cc3C2)n1CCN1CCC[C@H](C)C1 ZINC001305760648 1069225773 /nfs/dbraw/zinc/22/57/73/1069225773.db2.gz CETAPIAVBHAEKA-SFHVURJKSA-N 0 3 454.619 3.197 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](OC)C2)n1C[C@@H]1CCCN1Cc1ccccc1 ZINC001305772141 1069249903 /nfs/dbraw/zinc/24/99/03/1069249903.db2.gz OVMOEKPYAKITRC-XZOQPEGZSA-N 0 3 468.646 3.476 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCCN(C(=O)C(C)C)CC2)n1C[C@@H](C)N1CCC(C)CC1 ZINC001305774541 1069255583 /nfs/dbraw/zinc/25/55/83/1069255583.db2.gz WGHHYJHNQYESLY-OAQYLSRUSA-N 0 3 489.709 3.012 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCCN(Cc3ccccc3)CC2)n1C[C@](C)(O)c1ccco1 ZINC001305777204 1069262072 /nfs/dbraw/zinc/26/20/72/1069262072.db2.gz WAQXOADGGPCVKX-MHZLTWQESA-N 0 3 494.640 3.410 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001305779251 1069268566 /nfs/dbraw/zinc/26/85/66/1069268566.db2.gz LSQYTWCEYIDNOX-KRWDZBQOSA-N 0 3 487.615 3.001 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CCc1ccc(F)cc1 ZINC001305786124 1069289204 /nfs/dbraw/zinc/28/92/04/1069289204.db2.gz QQBAMQMOSXHYRU-LJQANCHMSA-N 0 3 486.636 3.268 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1C[C@@H]1CCC(F)(F)C1 ZINC001305786924 1069292014 /nfs/dbraw/zinc/29/20/14/1069292014.db2.gz ZGVBCMGECAYKAP-QZTJIDSGSA-N 0 3 482.620 3.321 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1C/C=C/c1ccccc1 ZINC001305787548 1069293848 /nfs/dbraw/zinc/29/38/48/1069293848.db2.gz KNAHEHOCJUVTIG-NJTIBFSMSA-N 0 3 466.630 3.068 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3ccco3)C2)n1C[C@H]1N(C)CCCC1(C)C ZINC001305792349 1069305922 /nfs/dbraw/zinc/30/59/22/1069305922.db2.gz AXNQCZGMUKKPJQ-LEWJYISDSA-N 0 3 472.634 3.488 20 0 JGADHN CCS(=O)(=O)c1cc(C(F)(F)N2CC[C@@]3(CN(CC4CC4)C[C@@H]3COC)C2)cnc1Cl ZINC001164812814 720204908 /nfs/dbraw/zinc/20/49/08/720204908.db2.gz MHPXDTUWPUPJGK-YLJYHZDGSA-N 0 3 478.005 3.258 20 0 JGADHN CCS(=O)(=O)c1cc(C(F)(F)N2CC[C@]3(CN(CC4CC4)C[C@@H]3COC)C2)cnc1Cl ZINC001164812809 720205180 /nfs/dbraw/zinc/20/51/80/720205180.db2.gz MHPXDTUWPUPJGK-XLIONFOSSA-N 0 3 478.005 3.258 20 0 JGADHN c1cc(C2OCCCO2)ccc1-c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164746891 720740889 /nfs/dbraw/zinc/74/08/89/720740889.db2.gz YVXOSQMETSTLHP-GOTSBHOMSA-N 0 3 459.550 3.316 20 0 JGADHN CCS(=O)(=O)c1cc(C(F)(F)N2CCCn3cnc(CNC4CCC4)c3C2)cnc1Cl ZINC001164842346 720741546 /nfs/dbraw/zinc/74/15/46/720741546.db2.gz CWDDDMVDTVSCLJ-UHFFFAOYSA-N 0 3 473.977 3.322 20 0 JGADHN CCOC(=O)c1c(Cl)c2ccccc2nc1N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164745275 720758734 /nfs/dbraw/zinc/75/87/34/720758734.db2.gz UVCIWAMMSANEGT-CVEARBPZSA-N 0 3 453.930 3.197 20 0 JGADHN Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164741772 720763602 /nfs/dbraw/zinc/76/36/02/720763602.db2.gz MZSTZOUTKRGDLI-FCHUYYIVSA-N 0 3 455.566 3.228 20 0 JGADHN c1cc(N2CCCCC2)ccc1-c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nn1 ZINC001164748212 720794543 /nfs/dbraw/zinc/79/45/43/720794543.db2.gz QBSDHMXZJZEDJE-PKTZIBPZSA-N 0 3 457.582 3.266 20 0 JGADHN O=C(c1cc(Cl)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1)N1CCCCC1 ZINC001164867771 721062639 /nfs/dbraw/zinc/06/26/39/721062639.db2.gz KILKPOOYEGGKSL-NHCUHLMSSA-N 0 3 455.990 3.236 20 0 JGADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)nc5c4CN(Cc4ccccc4)CC5)C[C@@H]3C2)cn1 ZINC001164761097 721089156 /nfs/dbraw/zinc/08/91/56/721089156.db2.gz AXGYMSNWCGBRRZ-YADHBBJMSA-N 0 3 478.044 3.380 20 0 JGADHN CN(C)C(=O)c1cc2cnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2n1C1CCCC1 ZINC001164865576 721090803 /nfs/dbraw/zinc/09/08/03/721090803.db2.gz NDKRPLAKXWUCSU-PKTZIBPZSA-N 0 3 489.624 3.123 20 0 JGADHN CCOC(=O)c1ccc2nc(Cl)nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164876504 721135230 /nfs/dbraw/zinc/13/52/30/721135230.db2.gz MVPRBLJXLBXEKF-OALUTQOASA-N 0 3 467.957 3.335 20 0 JGADHN O=C(c1cccnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1)N1CCc2ccccc21 ZINC001164872226 721140064 /nfs/dbraw/zinc/14/00/64/721140064.db2.gz GZLHBPBNPNXCJC-PKTZIBPZSA-N 0 3 455.562 3.159 20 0 JGADHN CCOC(=O)c1ccc2nc(Cl)nc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2c1 ZINC001164773382 721187066 /nfs/dbraw/zinc/18/70/66/721187066.db2.gz WWIYBDLOCQXSBD-MSOLQXFVSA-N 0 3 454.962 3.152 20 0 JGADHN COC[C@H]1CC2(CN1C(=O)c1cccn1C)CCN(c1ccc(CN3CCCC3)cn1)CC2 ZINC001164871717 721224098 /nfs/dbraw/zinc/22/40/98/721224098.db2.gz KUGFEVXPSFLVFF-JOCHJYFZSA-N 0 3 451.615 3.164 20 0 JGADHN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncnc5c4ccn5Cc4ccc(F)cc4)C3)O2)CC1 ZINC001164884592 721417285 /nfs/dbraw/zinc/41/72/85/721417285.db2.gz FCECOCUSVLXSQH-WNCULLNHSA-N 0 3 478.616 3.384 20 0 JGADHN Fc1cccc(O[C@H]2C[C@H]3CN(c4ncnc5c4ncn5Cc4ccccc4F)CCN3C2)c1 ZINC001164903070 721541752 /nfs/dbraw/zinc/54/17/52/721541752.db2.gz BZTAQFABVHXUOR-FPOVZHCZSA-N 0 3 462.504 3.495 20 0 JGADHN CS(=O)(=O)c1ccc(Oc2ccnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)cc1 ZINC001164905794 721548732 /nfs/dbraw/zinc/54/87/32/721548732.db2.gz IHRWJENKHQSSNX-NQIIRXRSSA-N 0 3 484.553 3.153 20 0 JGADHN CCC(CC)NS(=O)(=O)c1ccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164907172 721555822 /nfs/dbraw/zinc/55/58/22/721555822.db2.gz MJKNWPLWAMZQPD-PZJWPPBQSA-N 0 3 462.591 3.030 20 0 JGADHN CC1(C)NC(=O)N(Cc2ccc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)nc2)C1=O ZINC001164912200 721726691 /nfs/dbraw/zinc/72/66/91/721726691.db2.gz MQQQNWBBONRRPE-DEOSSOPVSA-N 0 3 484.551 3.045 20 0 JGADHN COC[C@@]12COC[C@H]1CN(c1c3c(cnc1Cl)C1(CCN(Cc4ccccc4)CC1)OC3=O)C2 ZINC001164954920 721994089 /nfs/dbraw/zinc/99/40/89/721994089.db2.gz XWDSMODRYCQJJE-CLOONOSVSA-N 0 3 483.996 3.496 20 0 JGADHN CCOC(=O)c1sc2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1C ZINC001164983496 722099912 /nfs/dbraw/zinc/09/99/12/722099912.db2.gz QMDXMSCYGMIQJT-RBUKOAKNSA-N 0 3 467.595 3.299 20 0 JGADHN FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975467 722105284 /nfs/dbraw/zinc/10/52/84/722105284.db2.gz BVFQBGISJRPBFR-RBUKOAKNSA-N 0 3 478.975 3.397 20 0 JGADHN c1ccc(CN2CCc3c(ncnc3N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)C2)cc1 ZINC001164970872 722112425 /nfs/dbraw/zinc/11/24/25/722112425.db2.gz AFMHEMQHVIOLKR-SHQCIBLASA-N 0 3 470.621 3.157 20 0 JGADHN COC(=O)c1ccc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(Cl)n1 ZINC001164971015 722113894 /nfs/dbraw/zinc/11/38/94/722113894.db2.gz BBTXJQSFLSRJRE-LPHOPBHVSA-N 0 3 466.916 3.189 20 0 JGADHN COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983153 722113954 /nfs/dbraw/zinc/11/39/54/722113954.db2.gz YKAQGVYVQJBOAW-SJLPKXTDSA-N 0 3 466.916 3.189 20 0 JGADHN CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164979775 722118939 /nfs/dbraw/zinc/11/89/39/722118939.db2.gz PVOMIGYYVKBVKO-UNMCSNQZSA-N 0 3 478.597 3.100 20 0 JGADHN COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978382 722119389 /nfs/dbraw/zinc/11/93/89/722119389.db2.gz ONIZIOFMVHXTIR-GHTZIAJQSA-N 0 3 467.957 3.192 20 0 JGADHN CC(C)(C)NC(=O)c1cc(Cl)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164971892 722124825 /nfs/dbraw/zinc/12/48/25/722124825.db2.gz DCDPEDQXYPPSCR-QUCCMNQESA-N 0 3 458.006 3.386 20 0 JGADHN COC(=O)c1cc2c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)[nH]c(Cl)cc-2n1 ZINC001164980308 722132664 /nfs/dbraw/zinc/13/26/64/722132664.db2.gz MQSAXXMBHMPXHG-UZLBHIALSA-N 0 3 455.946 3.125 20 0 JGADHN COc1ccc(Cn2cc3[nH]c(N4CC[C@H]5CN(Cc6cccnc6)CCO[C@H]5C4)ccc-3c2=O)cc1 ZINC001164983803 722137821 /nfs/dbraw/zinc/13/78/21/722137821.db2.gz VDEXBHQBJVWPRH-HOFKKMOUSA-N 0 3 499.615 3.369 20 0 JGADHN c1cncc(CN2CCO[C@H]3CN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)CC[C@H]3C2)c1 ZINC001164980317 722142131 /nfs/dbraw/zinc/14/21/31/722142131.db2.gz MTBJYWWUORWHFM-OFVILXPXSA-N 0 3 459.550 3.037 20 0 JGADHN FC(F)[C@](F)(COc1cncc(Cl)n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983817 722146664 /nfs/dbraw/zinc/14/66/64/722146664.db2.gz VJPXHQKCMRKGSP-LZJOCLMNSA-N 0 3 471.911 3.058 20 0 JGADHN COC(=O)c1nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c2ccccc2c1OC ZINC001164976010 722148732 /nfs/dbraw/zinc/14/87/32/722148732.db2.gz GFSMCYXVHUAWQX-UGKGYDQZSA-N 0 3 462.550 3.152 20 0 JGADHN CCC(CC)NC(=O)c1nnc(Nc2cnn([C@H]3CC3(F)F)c2)n1CCN1CCCCC1 ZINC001305800414 1069322502 /nfs/dbraw/zinc/32/25/02/1069322502.db2.gz IKZFXGWADNLQQI-KRWDZBQOSA-N 0 3 450.538 3.203 20 0 JGADHN CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)c2ccccc2)CC1)N1CCCC1 ZINC001305802613 1069326039 /nfs/dbraw/zinc/32/60/39/1069326039.db2.gz GLENSCPFGFPNKT-JOCHJYFZSA-N 0 3 466.630 3.390 20 0 JGADHN CC[C@H](Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)N1CCCC1 ZINC001305806674 1069335352 /nfs/dbraw/zinc/33/53/52/1069335352.db2.gz GXTDMFAQKZTYDD-RTBURBONSA-N 0 3 496.475 3.205 20 0 JGADHN CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C)OC ZINC001305811771 1069342110 /nfs/dbraw/zinc/34/21/10/1069342110.db2.gz RUBQBWZRGVZCQO-BFYDXBDKSA-N 0 3 453.429 3.390 20 0 JGADHN CC[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCS(=O)(=O)CC)N1CCCC1 ZINC001305814920 1069347580 /nfs/dbraw/zinc/34/75/80/1069347580.db2.gz IDKGBHCBAKKHAO-QGZVFWFLSA-N 0 3 472.030 3.483 20 0 JGADHN CC[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)CN(CC)CC)CC1)OC ZINC001305816151 1069349228 /nfs/dbraw/zinc/34/92/28/1069349228.db2.gz QOEIECSOXVHLQF-GOSISDBHSA-N 0 3 481.016 3.153 20 0 JGADHN CC[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C(C)(C)C)C1)N1CCCC1 ZINC001305817462 1069351955 /nfs/dbraw/zinc/35/19/55/1069351955.db2.gz YLOLVCWNBSMIMR-IRLDBZIGSA-N 0 3 489.686 3.474 20 0 JGADHN CC[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1)OC ZINC001305839159 1069384403 /nfs/dbraw/zinc/38/44/03/1069384403.db2.gz VGYWGQPQDIBDHR-PMACEKPBSA-N 0 3 476.616 3.177 20 0 JGADHN CC[C@@H](Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC2CC2)CC1)NC(=O)OC(C)(C)C ZINC001305842151 1069391087 /nfs/dbraw/zinc/39/10/87/1069391087.db2.gz HDLGBQNZWRXHHR-IBGZPJMESA-N 0 3 489.690 3.469 20 0 JGADHN CC[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)CCOC(C)(C)C)N1CCc2ccccc2C1 ZINC001305844267 1069393931 /nfs/dbraw/zinc/39/39/31/1069393931.db2.gz ILEIKHZUIQMALQ-HSZRJFAPSA-N 0 3 482.673 3.489 20 0 JGADHN CCc1ccc([C@H](Cn2c(Cc3ccncc3)nnc2N2CCC(CC(N)=O)CC2)N(C)C)cc1 ZINC001305916354 1069470934 /nfs/dbraw/zinc/47/09/34/1069470934.db2.gz DSPNXLIJBSYIJA-DEOSSOPVSA-N 0 3 475.641 3.221 20 0 JGADHN CCc1ccc([C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@H]2CC)N(C)C)cc1 ZINC001305916793 1069471405 /nfs/dbraw/zinc/47/14/05/1069471405.db2.gz NGOYYJGHLFIOBW-UIFIKXQLSA-N 0 3 462.664 3.132 20 0 JGADHN CCc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C(C)C)C2)N(C)C)cc1 ZINC001305915197 1069469792 /nfs/dbraw/zinc/46/97/92/1069469792.db2.gz HTJNPZKBIJXVHE-FGZHOGPDSA-N 0 3 456.635 3.143 20 0 JGADHN CCc1ccc([C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCOC(C)(C)C2)N(C)C)cc1 ZINC001305914689 1069469799 /nfs/dbraw/zinc/46/97/99/1069469799.db2.gz FEAZLOOYMOMCAC-NRFANRHFSA-N 0 3 477.613 3.406 20 0 JGADHN CCc1ccc([C@@H](Cn2c(C3CCC3)nnc2N2CCC(NS(=O)(=O)CC)CC2)N(C)C)cc1 ZINC001305915339 1069470386 /nfs/dbraw/zinc/47/03/86/1069470386.db2.gz AYCRIJVCHTUWQH-HSZRJFAPSA-N 0 3 488.702 3.319 20 0 JGADHN CCc1ccc([C@@H](Cn2c(Cc3ccccn3)nnc2N2CCC[C@@H](NC(C)=O)C2)N(C)C)cc1 ZINC001305917713 1069471973 /nfs/dbraw/zinc/47/19/73/1069471973.db2.gz IDSWIMPYQDKIRX-JWQCQUIFSA-N 0 3 475.641 3.234 20 0 JGADHN CCc1ccc([C@@H](Cn2c(N3CC(C)(OC)C3)nnc2[C@@]2(OC(C)C)CCOC2)N(C)C)cc1 ZINC001305918063 1069472490 /nfs/dbraw/zinc/47/24/90/1069472490.db2.gz CNHOSUJHMSKQAE-ATIYNZHBSA-N 0 3 471.646 3.409 20 0 JGADHN CCc1ccc([C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCCOCC2)N(C)C)cc1 ZINC001305918479 1069473151 /nfs/dbraw/zinc/47/31/51/1069473151.db2.gz SIMMHQDDDWLIQO-NRFANRHFSA-N 0 3 463.586 3.017 20 0 JGADHN CCc1ccc([C@@H](Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](COC)C2)N(C)C)cc1 ZINC001305920202 1069475263 /nfs/dbraw/zinc/47/52/63/1069475263.db2.gz SFRRSTXHDZBVRR-DHIUTWEWSA-N 0 3 484.670 3.351 20 0 JGADHN CCc1ccc([C@@H](Cn2c(Cc3ccccn3)nnc2N2CC[C@@](C)(C(=O)NC)C2)N(C)C)cc1 ZINC001305921086 1069476774 /nfs/dbraw/zinc/47/67/74/1069476774.db2.gz WFLARAQURUBJAV-YIXXDRMTSA-N 0 3 475.641 3.092 20 0 JGADHN CCc1ccc([C@H](Cn2c([C@H]3CCCO3)nnc2N2C[C@@H](C)O[C@H](COC)C2)N(C)C)cc1 ZINC001305921630 1069477423 /nfs/dbraw/zinc/47/74/23/1069477423.db2.gz VEHUZZGZNVMZMA-HGSOSGBHSA-N 0 3 457.619 3.235 20 0 JGADHN CN(C)[C@H](Cn1c(-c2cccnc2)nnc1N(C)CC(=O)NC(C)(C)C)c1cccc(F)c1 ZINC001298208226 1064125729 /nfs/dbraw/zinc/12/57/29/1064125729.db2.gz IRODENKJWNFZQM-HXUWFJFHSA-N 0 3 453.566 3.133 20 0 JGADHN CN(Cc1cc(F)cc(F)c1)c1nnc([C@H]2CCCOC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001298270539 1064162767 /nfs/dbraw/zinc/16/27/67/1064162767.db2.gz HUBJMEXYTYVTTB-IBGZPJMESA-N 0 3 462.589 3.113 20 0 JGADHN CN(C)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(OC(F)F)cc2)CCCC1 ZINC001298315116 1064190183 /nfs/dbraw/zinc/19/01/83/1064190183.db2.gz PLVRJIKWVWVWBQ-GOSISDBHSA-N 0 3 497.612 3.292 20 0 JGADHN CN(Cc1cccc(Br)c1)c1nnc(-c2cnccn2)n1CCN1CCN(C)C(C)(C)C1 ZINC001298325374 1064201075 /nfs/dbraw/zinc/20/10/75/1064201075.db2.gz IXAZGFDUAXMGET-UHFFFAOYSA-N 0 3 499.461 3.160 20 0 JGADHN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)cc1 ZINC001298378618 1064225773 /nfs/dbraw/zinc/22/57/73/1064225773.db2.gz LWKULMREXVMRNH-GCJKJVERSA-N 0 3 457.596 3.069 20 0 JGADHN CSc1ccc([C@@H](CNC(=O)CN(C)C(=O)c2ccc(Br)o2)N(C)C)cc1 ZINC001298402586 1064237202 /nfs/dbraw/zinc/23/72/02/1064237202.db2.gz BCMICVBCRUHZLQ-OAHLLOKOSA-N 0 3 454.390 3.255 20 0 JGADHN CSc1ccc([C@H](CNC(=O)CNC(=O)c2ccc(Br)cc2)N(C)C)cc1 ZINC001298405128 1064237724 /nfs/dbraw/zinc/23/77/24/1064237724.db2.gz XZPPUFCMRYETAH-SFHVURJKSA-N 0 3 450.402 3.320 20 0 JGADHN CN(Cc1cscn1)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCCC(C)(C)C1 ZINC001298434313 1064250655 /nfs/dbraw/zinc/25/06/55/1064250655.db2.gz YFPGFVFCFTVUHO-UHFFFAOYSA-N 0 3 454.604 3.140 20 0 JGADHN CN(C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ncnn1CC(F)F)c1cccs1 ZINC001298462402 1064263747 /nfs/dbraw/zinc/26/37/47/1064263747.db2.gz KAHFHXGQNAHMSO-HZPDHXFCSA-N 0 3 480.589 3.377 20 0 JGADHN CN(C[C@@H]1CCCCO1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1N(C)CCCC1(C)C ZINC001298538445 1064300444 /nfs/dbraw/zinc/30/04/44/1064300444.db2.gz ZPUUOPAPXODSLQ-RBUKOAKNSA-N 0 3 455.607 3.051 20 0 JGADHN CN(C[C@H]1CCCCO1)c1nnc(Cc2ccc(F)cc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001298546855 1064308779 /nfs/dbraw/zinc/30/87/79/1064308779.db2.gz SBRZHPMIYUMVGQ-JOCHJYFZSA-N 0 3 458.626 3.039 20 0 JGADHN CN(CCc1ccccc1F)c1nnc(Cc2cccnc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001298618707 1064389672 /nfs/dbraw/zinc/38/96/72/1064389672.db2.gz PGVOVERPXVGKKW-UHFFFAOYSA-N 0 3 465.621 3.108 20 0 JGADHN CN(CCc1nccs1)c1nnc(Cc2ccsc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001298638165 1064411568 /nfs/dbraw/zinc/41/15/68/1064411568.db2.gz XDKARPVJANYXOT-UHFFFAOYSA-N 0 3 459.689 3.092 20 0 JGADHN CN(CCCn1c(Cc2ccncc2)nnc1N1CCN(C(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC001298675775 1064463761 /nfs/dbraw/zinc/46/37/61/1064463761.db2.gz MOFADANNDSUEGP-UHFFFAOYSA-N 0 3 471.650 3.441 20 0 JGADHN CN(CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)Cc1ccc(F)cc1 ZINC001298704679 1064508315 /nfs/dbraw/zinc/50/83/15/1064508315.db2.gz VUDUODMAPKBZBB-UHFFFAOYSA-N 0 3 479.604 3.306 20 0 JGADHN CN(CCn1c([C@H]2CCC(=O)N2)nnc1N1CC=C(C(F)(F)F)CC1)Cc1ccc(F)cc1 ZINC001298705394 1064509982 /nfs/dbraw/zinc/50/99/82/1064509982.db2.gz GWRYSROYYFPPQL-GOSISDBHSA-N 0 3 466.483 3.199 20 0 JGADHN CN(CCn1c([C@@H]2CCCCO2)nnc1N(C)CC(=O)NC(C)(C)C)Cc1ccc(F)cc1 ZINC001298708599 1064514237 /nfs/dbraw/zinc/51/42/37/1064514237.db2.gz MUPKTAZNQQSXQK-FQEVSTJZSA-N 0 3 460.598 3.142 20 0 JGADHN CN(CCn1c([C@H]2CCCCO2)nnc1N(C)CCc1cnccn1)Cc1ccc(F)cc1 ZINC001298710443 1064516390 /nfs/dbraw/zinc/51/63/90/1064516390.db2.gz ZNXKWDRNGAQQET-JOCHJYFZSA-N 0 3 453.566 3.260 20 0 JGADHN CN(CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC001298711792 1064517541 /nfs/dbraw/zinc/51/75/41/1064517541.db2.gz CWDOUNAGCOXZQA-LJQANCHMSA-N 0 3 495.640 3.425 20 0 JGADHN CN(CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)Cc1ccc(F)cc1 ZINC001298714863 1064524382 /nfs/dbraw/zinc/52/43/82/1064524382.db2.gz RUIMOBDVTYNJPH-OAQYLSRUSA-N 0 3 486.636 3.138 20 0 JGADHN CC(C)Oc1ccc([C@H](CNC(=O)[C@@H](C)[C@H](O)CN(C)C(=O)OC(C)(C)C)N(C)C)cc1 ZINC001298722314 1064533302 /nfs/dbraw/zinc/53/33/02/1064533302.db2.gz LZVVSZYUXMIGOI-DZFGPLHGSA-N 0 3 451.608 3.057 20 0 JGADHN CN(CCN1CCN(c2nnc(-c3ccc[nH]3)n2CC[S@](=O)C(C)(C)C)CC1)Cc1ccccc1 ZINC001298728397 1064540930 /nfs/dbraw/zinc/54/09/30/1064540930.db2.gz SBANWHGWVVBBSY-DHUJRADRSA-N 0 3 497.713 3.074 20 0 JGADHN CN(C)[C@H](Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCS(C)(=O)=O)C1CCCCC1 ZINC001298775978 1064582587 /nfs/dbraw/zinc/58/25/87/1064582587.db2.gz CIVHMYDSJYCTOW-HSZRJFAPSA-N 0 3 486.686 3.428 20 0 JGADHN CN(C)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@H]1CCCO1)c1ccc(F)cc1 ZINC001298789457 1064590380 /nfs/dbraw/zinc/59/03/80/1064590380.db2.gz BWOQKIOWGQEWPM-UXHICEINSA-N 0 3 486.617 3.327 20 0 JGADHN CN(C)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@H]1CCCO1)c1ccc(F)cc1 ZINC001298789458 1064591007 /nfs/dbraw/zinc/59/10/07/1064591007.db2.gz BWOQKIOWGQEWPM-WOJBJXKFSA-N 0 3 486.617 3.327 20 0 JGADHN Cn1cc(Br)cc1-c1nnc(N(CCO)Cc2ccccc2)n1CCN1CC=CCC1 ZINC001298798584 1064595873 /nfs/dbraw/zinc/59/58/73/1064595873.db2.gz KOIHWROKMKKAGE-UHFFFAOYSA-N 0 3 485.430 3.307 20 0 JGADHN Cn1cc(Cn2c(-c3ccc(Br)s3)nnc2N2CCN(C(C)(C)C)CC2)cn1 ZINC001298827174 1064629757 /nfs/dbraw/zinc/62/97/57/1064629757.db2.gz AJNNTKWLFDFOHW-UHFFFAOYSA-N 0 3 464.437 3.471 20 0 JGADHN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N(C)CCCN(C)Cc2ccncc2)cc1 ZINC001298845307 1064649474 /nfs/dbraw/zinc/64/94/74/1064649474.db2.gz AOLAZVSPOLGCKI-HXUWFJFHSA-N 0 3 458.628 3.239 20 0 JGADHN C[C@H]1[C@@H](NC(=O)CN(C)C(=O)c2ccc(Br)s2)CCN1Cc1ccccc1 ZINC001298885982 1064692756 /nfs/dbraw/zinc/69/27/56/1064692756.db2.gz HQRVTAGCLTWCGG-HOCLYGCPSA-N 0 3 450.402 3.362 20 0 JGADHN CN1CCCC(C)(C)[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001298886367 1064693905 /nfs/dbraw/zinc/69/39/05/1064693905.db2.gz GCWZHOXUITZVFK-DLBZAZTESA-N 0 3 457.541 3.250 20 0 JGADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2nc(C(C)(C)C)cs2)CC1 ZINC001298886773 1064695019 /nfs/dbraw/zinc/69/50/19/1064695019.db2.gz GMZWQIJLNKLZSM-QGZVFWFLSA-N 0 3 473.691 3.121 20 0 JGADHN CN1CCN(CCn2c(C3CCC3)nnc2N2CCC([C@](C)(O)C(F)(F)F)CC2)CC1(C)C ZINC001298896092 1064702546 /nfs/dbraw/zinc/70/25/46/1064702546.db2.gz FPGIUMIWWMBYDK-QFIPXVFZSA-N 0 3 472.600 3.101 20 0 JGADHN CN1CCN(CCn2c(N3CCC(O)(Cc4ccc(F)cc4)CC3)nnc2C(C)(C)C)CC1(C)C ZINC001298902560 1064706490 /nfs/dbraw/zinc/70/64/90/1064706490.db2.gz DMJNTYGHEGECHI-UHFFFAOYSA-N 0 3 486.680 3.315 20 0 JGADHN CNC(=O)C(C)(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C2CCCC2)CC1 ZINC001298951405 1064742500 /nfs/dbraw/zinc/74/25/00/1064742500.db2.gz WQBCDKABPLOVMF-UHFFFAOYSA-N 0 3 475.037 3.347 20 0 JGADHN O=C([C@@H]1CCCN(CC(F)F)C1)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001298953874 1064744438 /nfs/dbraw/zinc/74/44/38/1064744438.db2.gz UCAJWQYFIWUIME-GOSISDBHSA-N 0 3 454.993 3.430 20 0 JGADHN CCN1CCCN(C(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)[C@H](C)C1 ZINC001299009000 1064793383 /nfs/dbraw/zinc/79/33/83/1064793383.db2.gz DAMQSZPVTXHCBK-HYBUGGRVSA-N 0 3 455.624 3.053 20 0 JGADHN CCN1CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)N[C@@H]3CCCC[C@H]3C)c2)[C@@H](C)C1 ZINC001299010450 1064794238 /nfs/dbraw/zinc/79/42/38/1064794238.db2.gz UQBYKSSFGXKHJY-WSTZPKSXSA-N 0 3 451.633 3.109 20 0 JGADHN CNC(=O)[C@]1(C)CCN(c2nnc(Cc3ccsc3)n2CCN(C)Cc2ccc(F)cc2)C1 ZINC001299028203 1064812251 /nfs/dbraw/zinc/81/22/51/1064812251.db2.gz LYQLAQXFAPCEMS-XMMPIXPASA-N 0 3 470.618 3.164 20 0 JGADHN CNC(=O)c1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CCN(CCC(C)(C)C)CC2)c1 ZINC001299057235 1064848376 /nfs/dbraw/zinc/84/83/76/1064848376.db2.gz GWGSDYKAOXAMTJ-QFIPXVFZSA-N 0 3 468.646 3.138 20 0 JGADHN Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NC[C@@H]3C[N@@H+](C)C[C@H]3c3ccccc3)cs2)c1 ZINC001299850030 1065053125 /nfs/dbraw/zinc/05/31/25/1065053125.db2.gz UZTWSWBJZPFFMN-NQIIRXRSSA-N 0 3 464.591 3.414 20 0 JGADHN Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)NC[C@@H]3C[N@H+](C)C[C@H]3c3ccccc3)cs2)c1 ZINC001299850030 1065053136 /nfs/dbraw/zinc/05/31/36/1065053136.db2.gz UZTWSWBJZPFFMN-NQIIRXRSSA-N 0 3 464.591 3.414 20 0 JGADHN COc1cc(-c2nnc(N3CCN(CC(C)C)CC3)n2CCc2ccn(C)n2)ccc1OC(C)C ZINC001299857750 1065067917 /nfs/dbraw/zinc/06/79/17/1065067917.db2.gz XFPVCTNPRFPRSQ-UHFFFAOYSA-N 0 3 481.645 3.495 20 0 JGADHN COc1cc(-c2nnc(N3CCN(CC(C)C)CC3)n2C[C@H]2CCOC[C@H]2C)cc(OC)c1OC ZINC001299857824 1065068524 /nfs/dbraw/zinc/06/85/24/1065068524.db2.gz ZMUICPPBPRPENN-WOJBJXKFSA-N 0 3 487.645 3.422 20 0 JGADHN COc1cc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@H]2CCCCO2)cc(OC)c1OC ZINC001299858437 1065070709 /nfs/dbraw/zinc/07/07/09/1065070709.db2.gz NXMMCGPSJIDGCL-LJQANCHMSA-N 0 3 473.618 3.461 20 0 JGADHN COc1cc(-c2nnc(N3CCS(=O)CC3)n2C[C@H]2N(C)CCCC2(C)C)ccc1OC(C)C ZINC001299859385 1065072121 /nfs/dbraw/zinc/07/21/21/1065072121.db2.gz BETYVKPSUBFZJC-JOCHJYFZSA-N 0 3 489.686 3.430 20 0 JGADHN COc1cc(CN(C)c2nnc(-c3cnccn3)n2CCN2CC=CCC2)ccc1SC ZINC001299871382 1065090000 /nfs/dbraw/zinc/09/00/00/1065090000.db2.gz JWYXWVHNLWMZJM-UHFFFAOYSA-N 0 3 451.600 3.364 20 0 JGADHN COc1cc(Cl)ccc1-c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@H](C(C)C)N1CCCC1 ZINC001299894326 1065124602 /nfs/dbraw/zinc/12/46/02/1065124602.db2.gz BCEILNATUSDPIX-UYAOXDASSA-N 0 3 496.077 3.351 20 0 JGADHN COc1cc(Cl)ccc1-c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(C)C)C1 ZINC001299895211 1065126578 /nfs/dbraw/zinc/12/65/78/1065126578.db2.gz NBUPQNKEOYPUFF-HKUYNNGSSA-N 0 3 496.077 3.351 20 0 JGADHN COc1cc2c(cc1OC)CCN(c1nnc(C(=O)NC(C)C)n1CCN1CCCC(C)(C)C1)CC2 ZINC001299962575 1065245244 /nfs/dbraw/zinc/24/52/44/1065245244.db2.gz DRMABEFLTWWXKW-UHFFFAOYSA-N 0 3 498.672 3.161 20 0 JGADHN Cc1ccc(F)c(CN(C)c2nnc(C(=O)Nc3ccccn3)n2CCN2CCC[C@H]2C)c1 ZINC001492208558 1065323066 /nfs/dbraw/zinc/32/30/66/1065323066.db2.gz VBTJAXZHQOSCSW-GOSISDBHSA-N 0 3 451.550 3.494 20 0 JGADHN Cc1ccc(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C)N3CCC(C)CC3)CC2)cc1 ZINC001492228407 1065330464 /nfs/dbraw/zinc/33/04/64/1065330464.db2.gz UJZNTPMFEDNVTD-JOCHJYFZSA-N 0 3 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Cc1ccc(OCc2nnc(N3CCN(C[C@H]4CCOC4)CC3)n2CCOC(C)(C)C)cc1 ZINC001492390797 1065455464 /nfs/dbraw/zinc/45/54/64/1065455464.db2.gz AVNIZAGJZFHOMO-OAQYLSRUSA-N 0 3 457.619 3.139 20 0 JGADHN Cc1ccc(OCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CCC(C)(C)C)CC2)cc1 ZINC001492427798 1065486229 /nfs/dbraw/zinc/48/62/29/1065486229.db2.gz VKLYQTAQCRIGSO-NRFANRHFSA-N 0 3 454.619 3.175 20 0 JGADHN Cc1ccc(SCc2nnc(N3CCN(CC(C)C)CC3)n2C[C@]2(C)CN(C)C2=O)cc1 ZINC001492467670 1065514876 /nfs/dbraw/zinc/51/48/76/1065514876.db2.gz JMVGXQQSHBVBNP-DEOSSOPVSA-N 0 3 456.660 3.135 20 0 JGADHN CO[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCC[C@H](C)C2)CC[C@H]1C ZINC001300800651 1065532836 /nfs/dbraw/zinc/53/28/36/1065532836.db2.gz UHJGZJBILJSKJS-NNMXDRDESA-N 0 3 489.064 3.455 20 0 JGADHN COCC(C)(C)CCCn1c([C@H]2CCCO2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001300931579 1065731132 /nfs/dbraw/zinc/73/11/32/1065731132.db2.gz NZRKWKSVQYBMAS-FCHUYYIVSA-N 0 3 462.683 3.187 20 0 JGADHN 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/nfs/dbraw/zinc/13/41/75/1066134175.db2.gz DQQFSGCZJFRZCY-ZJOUEHCJSA-N 0 3 463.648 3.229 20 0 JGADHN COC[C@@H]1CN(c2nnc(Cc3cccnc3)n2C[C@@H](c2ccc(C)cc2)N(C)C)C[C@@H](C)O1 ZINC001301397817 1066178737 /nfs/dbraw/zinc/17/87/37/1066178737.db2.gz VKJOYFRKKNIFAR-QDSKXPNFSA-N 0 3 464.614 3.115 20 0 JGADHN COCCC(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001301431849 1066230693 /nfs/dbraw/zinc/23/06/93/1066230693.db2.gz YJKZUEVQSWHGTI-QFIPXVFZSA-N 0 3 489.734 3.301 20 0 JGADHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(C3CCC3)n2C[C@H](c2ccccc2)N(C)C)C1 ZINC001301946227 1066236914 /nfs/dbraw/zinc/23/69/14/1066236914.db2.gz UPEKAVIZPNQIJX-UEVCKROQSA-N 0 3 468.646 3.216 20 0 JGADHN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(Br)c2)n1CC1(N(C)C)CCC1 ZINC001301983514 1066292267 /nfs/dbraw/zinc/29/22/67/1066292267.db2.gz PCRPCBUYHHRQMK-HZPDHXFCSA-N 0 3 498.491 3.450 20 0 JGADHN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](C1CC1)N(C)C ZINC001301988468 1066304686 /nfs/dbraw/zinc/30/46/86/1066304686.db2.gz DUGXARWFPCDIFI-WHSLLNHNSA-N 0 3 458.632 3.024 20 0 JGADHN COCC[C@H]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCCCC2)C1 ZINC001301504137 1066330496 /nfs/dbraw/zinc/33/04/96/1066330496.db2.gz UAQYCYUAVIYICG-HXUWFJFHSA-N 0 3 475.037 3.210 20 0 JGADHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CCc2ccccc2)n1CC1(N(C)C)CCCC1 ZINC001302003514 1066338785 /nfs/dbraw/zinc/33/87/85/1066338785.db2.gz OOHKPKPVVHCHHR-UXHICEINSA-N 0 3 461.676 3.196 20 0 JGADHN CCC1(N2CCOCC2)CCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001302008180 1066350179 /nfs/dbraw/zinc/35/01/79/1066350179.db2.gz GNIMGGAIRKRPKG-UTKZUKDTSA-N 0 3 451.970 3.102 20 0 JGADHN CC(C)(C)C(=O)N[C@@H]1CCCN(c2nnc(CCc3ccccc3)n2CCN2CC=CCC2)C1 ZINC001302014606 1066360759 /nfs/dbraw/zinc/36/07/59/1066360759.db2.gz CAGGEXXPDYXKDQ-HSZRJFAPSA-N 0 3 464.658 3.456 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCC(CN3CCOCC3)CC2)n1C[C@H]1CCSC1(C)C ZINC001302025236 1066383481 /nfs/dbraw/zinc/38/34/81/1066383481.db2.gz QFTKXROMTNFZPG-TZIWHRDSSA-N 0 3 481.707 3.082 20 0 JGADHN CC(C)(C)c1nnc(N2CCC(CCC(N)=O)CC2)n1CCCN1CCN(c2ccccc2)CC1 ZINC001302054355 1066447292 /nfs/dbraw/zinc/44/72/92/1066447292.db2.gz QHVHNEUDRHCMPP-UHFFFAOYSA-N 0 3 481.689 3.270 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCCC2(C)C)n1Cc1ccccc1CN1CCC(O)CC1 ZINC001302058429 1066456817 /nfs/dbraw/zinc/45/68/17/1066456817.db2.gz TVOUTRZBBBINON-FQEVSTJZSA-N 0 3 471.646 3.386 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1C[C@H](c1cccs1)N(C)C ZINC001302070927 1066477656 /nfs/dbraw/zinc/47/76/56/1066477656.db2.gz FHDPHHAREACVNH-WTGUMLROSA-N 0 3 463.648 3.372 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@](C)(O)c1cc(C)oc1C ZINC001302080681 1066497827 /nfs/dbraw/zinc/49/78/27/1066497827.db2.gz UGEFCACQZVSFHC-DVECYGJZSA-N 0 3 463.623 3.040 20 0 JGADHN CC(C)(C)c1nnc(N2CCN(C3CCOCC3)CC2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001302089967 1066517097 /nfs/dbraw/zinc/51/70/97/1066517097.db2.gz UFBQNWKVKLEGCZ-UHFFFAOYSA-N 0 3 482.551 3.261 20 0 JGADHN CC(C)(C)c1nnc(N2CCN(C3CCOCC3)CC2)n1Cc1cccc(C(F)(F)F)n1 ZINC001302089971 1066517134 /nfs/dbraw/zinc/51/71/34/1066517134.db2.gz UFUMHHFTOWGYTM-UHFFFAOYSA-N 0 3 452.525 3.339 20 0 JGADHN CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccn3C)n2C[C@@H](c2cccc(F)c2)N(C)C)C1 ZINC001301650946 1066517701 /nfs/dbraw/zinc/51/77/01/1066517701.db2.gz QXQZRZOVEUVFCF-CVDCTZTESA-N 0 3 467.593 3.030 20 0 JGADHN CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccn3C)n2C[C@H](c2cccc(F)c2)N(C)C)C1 ZINC001301650947 1066517929 /nfs/dbraw/zinc/51/79/29/1066517929.db2.gz QXQZRZOVEUVFCF-WMZHIEFXSA-N 0 3 467.593 3.030 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1C/C=C/c1ccccc1 ZINC001302094859 1066523780 /nfs/dbraw/zinc/52/37/80/1066523780.db2.gz SLVZIVSRPDYOEL-FEQMTQHMSA-N 0 3 469.630 3.405 20 0 JGADHN CC(C)(C)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1Cc1cccc(C(F)(F)F)n1 ZINC001302096678 1066527588 /nfs/dbraw/zinc/52/75/88/1066527588.db2.gz NJWMHBLOWLAVTG-MRXNPFEDSA-N 0 3 452.525 3.196 20 0 JGADHN CC(C)(C)c1nnc(N2CCN(CC3CCOCC3)CC2)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001302097210 1066528863 /nfs/dbraw/zinc/52/88/63/1066528863.db2.gz SRLGBHBGVACZSE-IBGZPJMESA-N 0 3 472.600 3.008 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@H](c1ccccc1)N(C)C ZINC001302100204 1066533399 /nfs/dbraw/zinc/53/33/99/1066533399.db2.gz WZUNBRMKBBNRDF-QRQLOZEOSA-N 0 3 471.524 3.073 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCS[C@H](C)C2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001302110332 1066549316 /nfs/dbraw/zinc/54/93/16/1066549316.db2.gz DOBUFGFJNXKLPB-HLIPFELVSA-N 0 3 451.612 3.386 20 0 JGADHN CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)c1cnc2ncc(Br)cc2c1 ZINC001301681565 1066564514 /nfs/dbraw/zinc/56/45/14/1066564514.db2.gz NOTPMWYCBBOAHA-QFIPXVFZSA-N 0 3 455.356 3.101 20 0 JGADHN CC(C)(C)OC(=O)N[C@H]1CCc2cc(C(=O)NC[C@H]3CCN3C3CCCC3)ccc2NC1=O ZINC001302123835 1066567971 /nfs/dbraw/zinc/56/79/71/1066567971.db2.gz AGCXJRZCRVVHKL-CTNGQTDRSA-N 0 3 456.587 3.211 20 0 JGADHN CC(C)(C)OC(=O)N[C@@H]1CCc2cc(C(=O)NC[C@@H]3CCN3C3CCCC3)ccc2NC1=O ZINC001302123839 1066568156 /nfs/dbraw/zinc/56/81/56/1066568156.db2.gz AGCXJRZCRVVHKL-PZJWPPBQSA-N 0 3 456.587 3.211 20 0 JGADHN COCCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC001302135286 1066580668 /nfs/dbraw/zinc/58/06/68/1066580668.db2.gz HNWSOAUZHSOMJF-UHFFFAOYSA-N 0 3 498.672 3.191 20 0 JGADHN COCCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001302135203 1066580760 /nfs/dbraw/zinc/58/07/60/1066580760.db2.gz GVGIGENIMKKTQP-UHFFFAOYSA-N 0 3 498.672 3.146 20 0 JGADHN CC(C)(C)Cc1nnc(N2CCC(CN3CCOCC3)CC2)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001302135998 1066581962 /nfs/dbraw/zinc/58/19/62/1066581962.db2.gz OUWQHTLYWBJVMM-FQEVSTJZSA-N 0 3 486.627 3.300 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3Cc3ccc(C)cc3C)C[C@H]2C)CC1 ZINC001301707306 1066597333 /nfs/dbraw/zinc/59/73/33/1066597333.db2.gz BSPIMKGJEPVBJW-ZJSXRUAMSA-N 0 3 452.647 3.446 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)(C)C)n3CCCCOC(C)C)C[C@@H]2C)CC1 ZINC001301707568 1066598267 /nfs/dbraw/zinc/59/82/67/1066598267.db2.gz CYRYSGXHTZQOEZ-JTHBVZDNSA-N 0 3 476.710 3.451 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)(C)C)n3CCc3sc(C)nc3C)C[C@H]2C)CC1 ZINC001301707844 1066599144 /nfs/dbraw/zinc/59/91/44/1066599144.db2.gz GFLTVEWYWKUCEB-UTKZUKDTSA-N 0 3 487.718 3.271 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3CCc3sc(C)nc3C)C[C@H]2C)CC1 ZINC001301707842 1066599285 /nfs/dbraw/zinc/59/92/85/1066599285.db2.gz GFLTVEWYWKUCEB-DYESRHJHSA-N 0 3 487.718 3.271 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)C)n3Cc3ccnc(C(F)(F)F)c3)C[C@H]2C)CC1 ZINC001301708174 1066599425 /nfs/dbraw/zinc/59/94/25/1066599425.db2.gz IXURAHHALFKDAG-XLIONFOSSA-N 0 3 493.578 3.243 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)(C)C)n3CCC3CCOCC3)C[C@H]2C)CC1 ZINC001301708247 1066600074 /nfs/dbraw/zinc/60/00/74/1066600074.db2.gz KHKJKRRVRNFVTA-NFBKMPQASA-N 0 3 474.694 3.062 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4ccccc4C)n3CCCOC(C)C)C[C@H]2C)CC1 ZINC001301708410 1066600568 /nfs/dbraw/zinc/60/05/68/1066600568.db2.gz MNHNLIFFYNHLEH-RDGATRHJSA-N 0 3 482.673 3.448 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3CCCN(C)c3ccccc3)C[C@H]2C)CC1 ZINC001301708393 1066600587 /nfs/dbraw/zinc/60/05/87/1066600587.db2.gz MKLPCNDGYXXGOB-RCZVLFRGSA-N 0 3 495.716 3.481 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3CCOCCC(C)C)C[C@@H]2C)CC1 ZINC001301708422 1066601235 /nfs/dbraw/zinc/60/12/35/1066601235.db2.gz MQHOYFKZFGVHLG-RBBKRZOGSA-N 0 3 462.683 3.017 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CC(C)(C)O)C[C@@H]2C)CC1 ZINC001301708478 1066601428 /nfs/dbraw/zinc/60/14/28/1066601428.db2.gz NQCRMMOPVZJHDA-RDPSFJRHSA-N 0 3 496.700 3.392 20 0 JGADHN COCCO[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2ccccc2)N(C)C)C1 ZINC001302158299 1066614072 /nfs/dbraw/zinc/61/40/72/1066614072.db2.gz YGYVFRDTROXJCE-ZRBLBEILSA-N 0 3 457.619 3.107 20 0 JGADHN COCCO[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@H](c2ccccc2)N(C)C)C1 ZINC001302158297 1066614164 /nfs/dbraw/zinc/61/41/64/1066614164.db2.gz YGYVFRDTROXJCE-YTFSRNRJSA-N 0 3 457.619 3.107 20 0 JGADHN COCCN(C)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001301720746 1066624309 /nfs/dbraw/zinc/62/43/09/1066624309.db2.gz CLIOCYKFFYFBCU-GYPIEGGISA-N 0 3 478.037 3.247 20 0 JGADHN COCCN(C)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 ZINC001301721648 1066627727 /nfs/dbraw/zinc/62/77/27/1066627727.db2.gz JRJIXRIQAGNILQ-XLNZFTOWSA-N 0 3 494.036 3.034 20 0 JGADHN CC(C)(C)Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@H]1CCCCC1(F)F ZINC001302167169 1066632884 /nfs/dbraw/zinc/63/28/84/1066632884.db2.gz XTTRMPWBLRLPOY-LJQANCHMSA-N 0 3 466.621 3.437 20 0 JGADHN CC(=O)N1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCN2CC=CCC2)[C@@H](C)C1 ZINC001301725876 1066641453 /nfs/dbraw/zinc/64/14/53/1066641453.db2.gz UAFIMTPJZIWSQA-SFHVURJKSA-N 0 3 487.446 3.335 20 0 JGADHN CC(C)(C)Cc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1Cc1cccc(C(F)(F)F)n1 ZINC001302175318 1066648749 /nfs/dbraw/zinc/64/87/49/1066648749.db2.gz DTECNRICEVCWCT-KRWDZBQOSA-N 0 3 466.552 3.487 20 0 JGADHN COCCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](c2cccc(F)c2)N(C)C)C1 ZINC001302175995 1066650507 /nfs/dbraw/zinc/65/05/07/1066650507.db2.gz MVTDMTXQASMKGR-GMAHTHKFSA-N 0 3 468.577 3.332 20 0 JGADHN COCCN(C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCCC1(C)C ZINC001301732883 1066652658 /nfs/dbraw/zinc/65/26/58/1066652658.db2.gz WQTSOOHDTRRRDB-UHFFFAOYSA-N 0 3 464.655 3.350 20 0 JGADHN COCCN(C)CCn1c(Cc2cccnc2)nnc1N1CCc2ccc(Br)cc2C1 ZINC001301732999 1066653403 /nfs/dbraw/zinc/65/34/03/1066653403.db2.gz CNCKBMINCNNPQZ-UHFFFAOYSA-N 0 3 485.430 3.167 20 0 JGADHN COCCN(C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCCCC1 ZINC001301733330 1066653989 /nfs/dbraw/zinc/65/39/89/1066653989.db2.gz XSAINYCRHBVDIR-FQEVSTJZSA-N 0 3 464.655 3.351 20 0 JGADHN COCCN(C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001301734664 1066655953 /nfs/dbraw/zinc/65/59/53/1066655953.db2.gz PSVSBRRNITVMGV-QAPCUYQASA-N 0 3 475.943 3.257 20 0 JGADHN COCCN(C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001301734789 1066655993 /nfs/dbraw/zinc/65/59/93/1066655993.db2.gz RFGVTEYZSPHRTQ-FQEVSTJZSA-N 0 3 450.027 3.352 20 0 JGADHN CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](c2ccc(F)cc2)N(C)C)[C@H](C)C1 ZINC001301735437 1066657363 /nfs/dbraw/zinc/65/73/63/1066657363.db2.gz ZQFKZIDSQIFWQC-JPYJTQIMSA-N 0 3 465.577 3.148 20 0 JGADHN COCCN(C)CCn1c(CC(C)(C)C)nnc1N1C[C@@H](C2CC2)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001301735342 1066657455 /nfs/dbraw/zinc/65/74/55/1066657455.db2.gz YRWNVFZUFWDXRU-VQTJNVASSA-N 0 3 478.682 3.184 20 0 JGADHN COCCN(C)CCn1c(CC2CC2)nnc1N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001301736157 1066658154 /nfs/dbraw/zinc/65/81/54/1066658154.db2.gz IUXNSYSSCRCZAM-FQEVSTJZSA-N 0 3 467.536 3.406 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(C3CC3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 ZINC001302190817 1066672089 /nfs/dbraw/zinc/67/20/89/1066672089.db2.gz FMDRMMLRTKWAML-UHFFFAOYSA-N 0 3 462.639 3.007 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)c2ccccn2)CC1 ZINC001302192167 1066675949 /nfs/dbraw/zinc/67/59/49/1066675949.db2.gz FLZDGFADCLZSJE-UHFFFAOYSA-N 0 3 467.662 3.332 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc([C@H]3CCCCO3)n2CC(C)(C)N2CCOCC2)CC1 ZINC001302192450 1066676934 /nfs/dbraw/zinc/67/69/34/1066676934.db2.gz HYCDUOCZPXDGKY-OAQYLSRUSA-N 0 3 462.683 3.189 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(CCc3ccccc3)n2CC2CCS(=O)(=O)CC2)CC1 ZINC001302193263 1066678752 /nfs/dbraw/zinc/67/87/52/1066678752.db2.gz QQYUMXDDMDVMOA-UHFFFAOYSA-N 0 3 487.714 3.446 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(Cc3ccccc3F)n2CC(=O)NCC(F)(F)F)CC1 ZINC001302193240 1066678797 /nfs/dbraw/zinc/67/87/97/1066678797.db2.gz QCVYPHXGEJMPJS-UHFFFAOYSA-N 0 3 484.542 3.245 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@](C)(O)c2ccco2)CC1 ZINC001302193249 1066678856 /nfs/dbraw/zinc/67/88/56/1066678856.db2.gz QIKDYJUURWDRTQ-RUZDIDTESA-N 0 3 452.603 3.323 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(Cc3cccnc3)n2CCC(=O)NC(C)(C)C)CC1 ZINC001302194060 1066680250 /nfs/dbraw/zinc/68/02/50/1066680250.db2.gz VPTAQTVHKKGOMV-UHFFFAOYSA-N 0 3 455.651 3.127 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001302201780 1066696815 /nfs/dbraw/zinc/69/68/15/1066696815.db2.gz DNYNYBKXQPGIQS-UHFFFAOYSA-N 0 3 459.660 3.383 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(Cc3ccccc3F)n2CCCNC(=O)C2CCC2)CC1 ZINC001302202125 1066697381 /nfs/dbraw/zinc/69/73/81/1066697381.db2.gz FOSUPYKGDBNUSJ-UHFFFAOYSA-N 0 3 456.610 3.235 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(CCCc3ccccc3)n2CC2CCS(=O)(=O)CC2)CC1 ZINC001302203510 1066700002 /nfs/dbraw/zinc/70/00/02/1066700002.db2.gz STTOLRKAWRCGCP-UHFFFAOYSA-N 0 3 473.687 3.199 20 0 JGADHN CC(=O)Nc1ccc(CCn2c(C(=O)NC(C)C)nnc2N2CCN(C3CCC(C)CC3)CC2)cc1 ZINC001301774817 1066720308 /nfs/dbraw/zinc/72/03/08/1066720308.db2.gz HYIFFSOLUSAKGV-UHFFFAOYSA-N 0 3 495.672 3.318 20 0 JGADHN CC(=O)Nc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCN(CCC(C)(C)C)CC2)cn1 ZINC001301787903 1066736688 /nfs/dbraw/zinc/73/66/88/1066736688.db2.gz IVCRHCXMBGANJX-UHFFFAOYSA-N 0 3 476.629 3.224 20 0 JGADHN CC(=O)Nc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(CC3CCCCC3)CC2)c1 ZINC001301793866 1066743979 /nfs/dbraw/zinc/74/39/79/1066743979.db2.gz OZWZCRROOCPYPA-UHFFFAOYSA-N 0 3 481.645 3.125 20 0 JGADHN CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1CC[C@H]1COCCO1 ZINC001302233071 1066751208 /nfs/dbraw/zinc/75/12/08/1066751208.db2.gz QNVMFLPLNQKEBY-PMACEKPBSA-N 0 3 492.665 3.076 20 0 JGADHN CC(=O)N[C@@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2N(C)CCCC2(C)C)C1 ZINC001301813603 1066768608 /nfs/dbraw/zinc/76/86/08/1066768608.db2.gz MPRXYNYNEPGNNS-DHIUTWEWSA-N 0 3 495.672 3.373 20 0 JGADHN COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001301818740 1066779633 /nfs/dbraw/zinc/77/96/33/1066779633.db2.gz RWHSOWYTAGVVHR-PZJWPPBQSA-N 0 3 477.053 3.323 20 0 JGADHN CC(C)(C)OC(=O)NCCCCn1c(N2CCN(C[C@@H]3CCOC3)CC2)nnc1C(C)(C)C ZINC001302266714 1066824286 /nfs/dbraw/zinc/82/42/86/1066824286.db2.gz RPDVJIILNQOLDH-IBGZPJMESA-N 0 3 464.655 3.039 20 0 JGADHN COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)[C@H](C)Sc2nncn2C)cc1 ZINC001302271440 1066829765 /nfs/dbraw/zinc/82/97/65/1066829765.db2.gz YMZCYNPIUGMZCW-BULFRSBZSA-N 0 3 451.596 3.089 20 0 JGADHN CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@H](c2ccc(F)cc2)N(C)C)C1 ZINC001301856611 1066837235 /nfs/dbraw/zinc/83/72/35/1066837235.db2.gz GQEFZUCMSKOKRN-AUSIDOKSSA-N 0 3 465.577 3.135 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H](Cc1ccccc1)OC ZINC001302305396 1066894325 /nfs/dbraw/zinc/89/43/25/1066894325.db2.gz OLJTUVBZKLYLBY-ZRBLBEILSA-N 0 3 471.646 3.180 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1cc(C)cc(OC)c1 ZINC001302305505 1066894741 /nfs/dbraw/zinc/89/47/41/1066894741.db2.gz OSJQRMVFKNMDFI-UNMCSNQZSA-N 0 3 457.619 3.288 20 0 JGADHN CC(C)(C)OCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001302307270 1066898235 /nfs/dbraw/zinc/89/82/35/1066898235.db2.gz LCYRCHFUXFZGPE-UHFFFAOYSA-N 0 3 475.037 3.158 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@H](OC)C(C)C ZINC001302310749 1066903959 /nfs/dbraw/zinc/90/39/59/1066903959.db2.gz DBUFDHQMAOOTSS-ACRUOGEOSA-N 0 3 451.656 3.231 20 0 JGADHN COCCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](c2ccco2)N(C)C)CC1 ZINC001301889140 1066905980 /nfs/dbraw/zinc/90/59/80/1066905980.db2.gz UWAXOSWVJDYYHN-FQEVSTJZSA-N 0 3 458.994 3.263 20 0 JGADHN COCCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](c2ccsc2)N(C)C)C[C@@H]1C ZINC001301889469 1066907508 /nfs/dbraw/zinc/90/75/08/1066907508.db2.gz ZNAAOTMOEGIBNK-PXNSSMCTSA-N 0 3 458.632 3.368 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(CC(C)C)CC2)n1C[C@@H](C)Oc1ccccc1 ZINC001302312676 1066908415 /nfs/dbraw/zinc/90/84/15/1066908415.db2.gz YXKIBOFHSRDSGD-GIWBLDEGSA-N 0 3 457.619 3.248 20 0 JGADHN CC(=O)NCC1CCN(c2nnc(CC3CCCC3)n2CCN(C)Cc2ccccc2)CC1 ZINC001301891201 1066911292 /nfs/dbraw/zinc/91/12/92/1066911292.db2.gz TXBLRBAHNLQIQF-UHFFFAOYSA-N 0 3 452.647 3.495 20 0 JGADHN COCCN1CCN(c2nnc(-c3ccccc3C)n2C[C@H](c2ccco2)N(C)C)C[C@@H]1C ZINC001301896437 1066919610 /nfs/dbraw/zinc/91/96/10/1066919610.db2.gz JVFGKMCPIOFSOB-RBBKRZOGSA-N 0 3 452.603 3.306 20 0 JGADHN CON(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1CCN(c2ccccc2)CC1 ZINC001302330144 1066930982 /nfs/dbraw/zinc/93/09/82/1066930982.db2.gz AUAGCEAWSHJXIB-UHFFFAOYSA-N 0 3 474.407 3.246 20 0 JGADHN COCCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2cccc(F)c2)N(C)C)C[C@H]1C ZINC001301911968 1066938414 /nfs/dbraw/zinc/93/84/14/1066938414.db2.gz JABYNOZOBJLWHK-OIBXWCBGSA-N 0 3 474.625 3.119 20 0 JGADHN CC(C)(Cn1c(Cc2ccccn2)nnc1N1CCN(C[C@H]2CCOC2)CC1)C(F)(F)F ZINC001302341407 1066940032 /nfs/dbraw/zinc/94/00/32/1066940032.db2.gz HVPGTYLNAWYILM-QGZVFWFLSA-N 0 3 452.525 3.011 20 0 JGADHN CC(C)(O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001302362183 1066952925 /nfs/dbraw/zinc/95/29/25/1066952925.db2.gz CTBAJBOFVUHYGT-HNNXBMFYSA-N 0 3 454.402 3.181 20 0 JGADHN CC(=O)NCCCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(C)C)CC1 ZINC001301935379 1066976226 /nfs/dbraw/zinc/97/62/26/1066976226.db2.gz MJIGFSMQOSXUKA-UHFFFAOYSA-N 0 3 470.662 3.459 20 0 JGADHN CC(C)C(=O)N1CCCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2cccs2)N(C)C)CC1 ZINC001302397082 1066976558 /nfs/dbraw/zinc/97/65/58/1066976558.db2.gz GJEXZLVZPKXYSQ-NRFANRHFSA-N 0 3 481.670 3.323 20 0 JGADHN CC(C)C(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2cccs2)N(C)C)CC1 ZINC001302404484 1066985870 /nfs/dbraw/zinc/98/58/70/1066985870.db2.gz QYHVCUGEHVYBQN-OALUTQOASA-N 0 3 460.648 3.189 20 0 JGADHN CC(C)C(=O)N[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2CCN(C)Cc2ccc(F)cc2)C1 ZINC001302416596 1066999273 /nfs/dbraw/zinc/99/92/73/1066999273.db2.gz FSQVPKSYRARVLP-XMMPIXPASA-N 0 3 493.631 3.276 20 0 JGADHN CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@H](c2cccc(F)c2)N(C)C)C1 ZINC001302432528 1067021972 /nfs/dbraw/zinc/02/19/72/1067021972.db2.gz XAHPZTFJTIWMKF-WMZHIEFXSA-N 0 3 494.619 3.166 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(COc3ccccc3F)n2CCN2CCOC(C)(C)C2)CC1 ZINC001303979331 1067027137 /nfs/dbraw/zinc/02/71/37/1067027137.db2.gz GJUGSYGRHOFUPC-UHFFFAOYSA-N 0 3 474.625 3.028 20 0 JGADHN Cc1occc1C(=O)NC1CCN(c2nnc(C)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 ZINC001304006187 1067048985 /nfs/dbraw/zinc/04/89/85/1067048985.db2.gz ONYYKSCSHJNXEP-JOCHJYFZSA-N 0 3 454.550 3.329 20 0 JGADHN CC(C)C(=O)NCCn1c(-c2cccc(Br)c2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001302462541 1067066388 /nfs/dbraw/zinc/06/63/88/1067066388.db2.gz JCJBXHZYHSHFCI-UHFFFAOYSA-N 0 3 477.451 3.400 20 0 JGADHN CC(C)[C@@](C)(O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001302488560 1067088561 /nfs/dbraw/zinc/08/85/61/1067088561.db2.gz PCTUHGHQAWOXBE-NDEPHWFRSA-N 0 3 496.700 3.394 20 0 JGADHN Cc1ccsc1CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001304072262 1067116099 /nfs/dbraw/zinc/11/60/99/1067116099.db2.gz WXRMHFHOYWOVLG-LJQANCHMSA-N 0 3 458.676 3.222 20 0 JGADHN CC(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OC(C)(C)C)C1)N1CCCC1 ZINC001302527819 1067154883 /nfs/dbraw/zinc/15/48/83/1067154883.db2.gz ZSBYCORELLISKF-HKBOAZHASA-N 0 3 481.707 3.085 20 0 JGADHN CS[C@H](C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001302542632 1067174855 /nfs/dbraw/zinc/17/48/55/1067174855.db2.gz UGXRLYXHKOKCAG-CEXWTWQISA-N 0 3 463.623 3.467 20 0 JGADHN CS[C@@H](C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C2CCCC2)CC1 ZINC001302548314 1067184846 /nfs/dbraw/zinc/18/48/46/1067184846.db2.gz ORVQAPSXLAKEJJ-SFHVURJKSA-N 0 3 492.715 3.012 20 0 JGADHN CS[C@H](C)Cn1c(Cc2csc(C)n2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001302560085 1067200356 /nfs/dbraw/zinc/20/03/56/1067200356.db2.gz BMAALHWLAGKEHA-QGZVFWFLSA-N 0 3 474.704 3.183 20 0 JGADHN CC(C)c1nnc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001302573316 1067212834 /nfs/dbraw/zinc/21/28/34/1067212834.db2.gz SYNDPJHSIXVLET-UHFFFAOYSA-N 0 3 477.698 3.263 20 0 JGADHN O=C(C[C@H](c1ccccc1)N1CCOC1=O)N1CCCN(Cc2ccccc2)CCOCC1 ZINC001304166433 1067212890 /nfs/dbraw/zinc/21/28/90/1067212890.db2.gz XICBCKNRLIZETD-XMMPIXPASA-N 0 3 451.567 3.321 20 0 JGADHN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H]3C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001304178406 1067227813 /nfs/dbraw/zinc/22/78/13/1067227813.db2.gz IMDZHXLZNWOGIY-JTHBVZDNSA-N 0 3 468.646 3.405 20 0 JGADHN CN1CCN(C2CCN(C(=O)c3cc(COc4c(Cl)cccc4Cl)on3)CC2)CC1 ZINC001302596770 1067233345 /nfs/dbraw/zinc/23/33/45/1067233345.db2.gz MCAUEKSGBUSIHZ-UHFFFAOYSA-N 0 3 453.370 3.412 20 0 JGADHN CN1CCN(C2CCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)C3CCCCCC3)CC2)CC1 ZINC001302596500 1067233446 /nfs/dbraw/zinc/23/34/46/1067233446.db2.gz GVHKJRLUEJNKEZ-JOCHJYFZSA-N 0 3 450.668 3.336 20 0 JGADHN Cc1cc(C)cc(OCCn2c(C(=O)Nc3ccccn3)nnc2N2CCN(CC(C)C)CC2)c1 ZINC001304185065 1067236153 /nfs/dbraw/zinc/23/61/53/1067236153.db2.gz JOIZUVFCQGONHO-UHFFFAOYSA-N 0 3 477.613 3.399 20 0 JGADHN CC(C)c1nnc(N(CCO)Cc2ccc(Br)s2)n1CCN1CC=CCC1 ZINC001302604874 1067240084 /nfs/dbraw/zinc/24/00/84/1067240084.db2.gz WXBOIOHMYVTWHM-UHFFFAOYSA-N 0 3 454.438 3.486 20 0 JGADHN Cc1cccc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCC(C)CC2)c1 ZINC001304206098 1067252338 /nfs/dbraw/zinc/25/23/38/1067252338.db2.gz RLBFRTBXBCFWHH-QFIPXVFZSA-N 0 3 459.660 3.247 20 0 JGADHN CC(C)N1CCN(c2ccc(C(=O)NCC3(OCCO)CCC(C(F)F)CC3)cc2)CC1 ZINC001304207566 1067252852 /nfs/dbraw/zinc/25/28/52/1067252852.db2.gz LYPFZBOPNUQMFG-UHFFFAOYSA-N 0 3 453.574 3.150 20 0 JGADHN CC(C)c1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001302626954 1067257388 /nfs/dbraw/zinc/25/73/88/1067257388.db2.gz AMGRCLZEGKEAHX-HXUWFJFHSA-N 0 3 477.698 3.121 20 0 JGADHN CC(C)c1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CCOc1ncccc1Cl ZINC001302633880 1067262644 /nfs/dbraw/zinc/26/26/44/1067262644.db2.gz RBBOFGCNGCNHTP-IBGZPJMESA-N 0 3 462.042 3.134 20 0 JGADHN CS[C@@H]1CCCCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(C)Cc2ccc(F)cc2)C1 ZINC001302670748 1067296679 /nfs/dbraw/zinc/29/66/79/1067296679.db2.gz BGNIYMHFKRPCDT-WOJBJXKFSA-N 0 3 460.623 3.222 20 0 JGADHN Cc1ccc([C@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)CCc2nccs2)N(C)C)cc1 ZINC001304269903 1067304765 /nfs/dbraw/zinc/30/47/65/1067304765.db2.gz AZTFLVZPHXMXLC-FQEVSTJZSA-N 0 3 467.643 3.261 20 0 JGADHN Cc1noc(C)c1CN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccc(C)cc1)N(C)C ZINC001304274969 1067312060 /nfs/dbraw/zinc/31/20/60/1067312060.db2.gz OUWGWZDRDZZIKP-NHCUHLMSSA-N 0 3 451.575 3.082 20 0 JGADHN Cc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](C3CCOCC3)C2)N(C)C)cc1 ZINC001304276535 1067315207 /nfs/dbraw/zinc/31/52/07/1067315207.db2.gz SIDIEOROUNWPFR-PKTZIBPZSA-N 0 3 468.646 3.281 20 0 JGADHN Cc1ccc([C@@H](Cn2c(N3CCC(CO)CC3)nnc2[C@@]2(OC(C)C)CCOC2)N(C)C)cc1 ZINC001304278573 1067318563 /nfs/dbraw/zinc/31/85/63/1067318563.db2.gz SLBXADNLOOGYDS-ZEQKJWHPSA-N 0 3 471.646 3.139 20 0 JGADHN Cc1ccc([C@H](Cn2c([C@H]3CCOC3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)N(C)C)cc1 ZINC001304278586 1067318736 /nfs/dbraw/zinc/31/87/36/1067318736.db2.gz NCEFQBSVXAWLFN-GIVPXCGWSA-N 0 3 480.579 3.466 20 0 JGADHN Cc1ccc([C@H](Cn2c([C@H]3CCOC3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)N(C)C)cc1 ZINC001304278587 1067318785 /nfs/dbraw/zinc/31/87/85/1067318785.db2.gz NCEFQBSVXAWLFN-JBACZVJFSA-N 0 3 480.579 3.466 20 0 JGADHN Cc1ccc([C@@H](Cn2c(CC(C)C)nnc2N2CCN(C(C)(C)C)CC2)N2CCOCC2)o1 ZINC001304278981 1067319279 /nfs/dbraw/zinc/31/92/79/1067319279.db2.gz OSYQOBOYMMHNMM-OAQYLSRUSA-N 0 3 458.651 3.372 20 0 JGADHN Cc1ccc([C@@H](Cn2c([C@H]3CCOC3)nnc2N(C)CC2COC(C)(C)OC2)N(C)C)cc1 ZINC001304279256 1067319684 /nfs/dbraw/zinc/31/96/84/1067319684.db2.gz SVKPWQOMGDRKLO-FCHUYYIVSA-N 0 3 457.619 3.229 20 0 JGADHN Cc1ccc(C)c(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@@H](C(C)C)N2CCCC2)c1 ZINC001304289122 1067334075 /nfs/dbraw/zinc/33/40/75/1067334075.db2.gz SNIZJUYSFJFJHI-VXKWHMMOSA-N 0 3 489.686 3.218 20 0 JGADHN Cc1ccc(C)c(OCc2nnc(N3CCN(C(C)(C)C)CC3)n2CCC(=O)NC(C)C)c1 ZINC001304289495 1067334904 /nfs/dbraw/zinc/33/49/04/1067334904.db2.gz SMVFQDLGMIACKH-UHFFFAOYSA-N 0 3 456.635 3.309 20 0 JGADHN Cc1ccc(C)c(OCc2nnc(N3CCN(CCC(C)(C)C)CC3)n2Cc2nncn2C)c1 ZINC001304290466 1067337550 /nfs/dbraw/zinc/33/75/50/1067337550.db2.gz CPCZLQFOMXPGEE-UHFFFAOYSA-N 0 3 466.634 3.209 20 0 JGADHN Cc1ccc(CN2CC[C@H](NC(=O)Cc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)cc1 ZINC001302723281 1067338516 /nfs/dbraw/zinc/33/85/16/1067338516.db2.gz MDVHUCVIULLYQM-QHCPKHFHSA-N 0 3 455.624 3.103 20 0 JGADHN Cc1ccc(CN2CC[C@H](NC(=O)CCNS(=O)(=O)c3ccc(C(C)(C)C)cc3)C2)cc1 ZINC001302723884 1067339185 /nfs/dbraw/zinc/33/91/85/1067339185.db2.gz NSEWTWTWTOBFTE-QFIPXVFZSA-N 0 3 457.640 3.352 20 0 JGADHN CC(C)[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCCC[C@H]2C)C1 ZINC001302732513 1067346334 /nfs/dbraw/zinc/34/63/34/1067346334.db2.gz VXZFMWIZFUBCJJ-NJYVYQBISA-N 0 3 451.681 3.317 20 0 JGADHN CSCCCCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001302743964 1067353348 /nfs/dbraw/zinc/35/33/48/1067353348.db2.gz IJKJYNDMXGDKFV-NRFANRHFSA-N 0 3 474.650 3.360 20 0 JGADHN CC(C)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN(C(C)C)C2)CC1 ZINC001302760413 1067362686 /nfs/dbraw/zinc/36/26/86/1067362686.db2.gz GSAJLVPLMOXGOC-FPOVZHCZSA-N 0 3 451.681 3.173 20 0 JGADHN Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2CCN2CCC(C)CC2)cc1Br ZINC001304327559 1067376322 /nfs/dbraw/zinc/37/63/22/1067376322.db2.gz HTHQBOXXEQBGGK-UHFFFAOYSA-N 0 3 480.476 3.317 20 0 JGADHN Cc1ccc(CN(C)c2nnc(Cc3ccsc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)o1 ZINC001304341616 1067386027 /nfs/dbraw/zinc/38/60/27/1067386027.db2.gz BBMBKWMOJXAOFE-OAQYLSRUSA-N 0 3 470.643 3.411 20 0 JGADHN CC(C)[C@@H]1OCCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001302800407 1067389217 /nfs/dbraw/zinc/38/92/17/1067389217.db2.gz VSLPPOLVANYPSZ-ONTIZHBOSA-N 0 3 460.667 3.239 20 0 JGADHN Cc1ccc(Cn2c(-c3ccc(Cl)cc3)nnc2N2CCN(CC(C)C)CC2)c(=O)n1C ZINC001304350989 1067392695 /nfs/dbraw/zinc/39/26/95/1067392695.db2.gz XIUJHMKZHJSTKA-UHFFFAOYSA-N 0 3 455.006 3.432 20 0 JGADHN CC(C)C[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)N(C)C ZINC001302809625 1067398374 /nfs/dbraw/zinc/39/83/74/1067398374.db2.gz YDXZZDLRPLGQCV-UXHICEINSA-N 0 3 470.643 3.093 20 0 JGADHN CC(C)C[C@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)N(C)C ZINC001302818652 1067406662 /nfs/dbraw/zinc/40/66/62/1067406662.db2.gz NYGOKOTXNFTZCJ-RTBURBONSA-N 0 3 472.659 3.416 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N(C)CC3CC(F)C3)n2C[C@H]2CCCN2CCCO)cc1C ZINC001304375490 1067415719 /nfs/dbraw/zinc/41/57/19/1067415719.db2.gz MWQQZMPDVWPUPO-QETWGEEDSA-N 0 3 472.609 3.178 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)C[C@H](C)C3)n2C[C@@H]2CCCN2CCCO)cc1C ZINC001304379876 1067426394 /nfs/dbraw/zinc/42/63/94/1067426394.db2.gz VPPDXYWZODAAER-YYDVJCTNSA-N 0 3 468.646 3.476 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)C[C@H](C)C3)n2C[C@H]2CCCN2CCCO)cc1C ZINC001304379875 1067426413 /nfs/dbraw/zinc/42/64/13/1067426413.db2.gz VPPDXYWZODAAER-SELNLUPBSA-N 0 3 468.646 3.476 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCCN(C(C)(C)C)CC3)n2CC2([S@](C)=O)CC2)cc1C ZINC001304382350 1067431131 /nfs/dbraw/zinc/43/11/31/1067431131.db2.gz CULMADRHROCYAH-UMSFTDKQSA-N 0 3 486.686 3.369 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCN(C4CCOCC4)CC3)n2CCCOC(C)C)cc1C ZINC001304384361 1067434847 /nfs/dbraw/zinc/43/48/47/1067434847.db2.gz OXEDWPHOPJGLNS-UHFFFAOYSA-N 0 3 484.645 3.263 20 0 JGADHN Cc1nccn1CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001304384776 1067436190 /nfs/dbraw/zinc/43/61/90/1067436190.db2.gz SWRYZQBWGSFXBF-UHFFFAOYSA-N 0 3 464.618 3.273 20 0 JGADHN CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)c1nn(C)cc1I ZINC001302851709 1067436541 /nfs/dbraw/zinc/43/65/41/1067436541.db2.gz HNYXLTNTYOYLHR-MRXNPFEDSA-N 0 3 452.340 3.151 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCOC[C@@H]3C)n2C[C@H]2N(C)CCCC2(C)C)cc1C ZINC001304385999 1067439082 /nfs/dbraw/zinc/43/90/82/1067439082.db2.gz CEKSPRUGKCMERN-PZJWPPBQSA-N 0 3 454.619 3.493 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCOC[C@@H]3C)n2C[C@@H]2N(C)CCCC2(C)C)cc1C ZINC001304385998 1067439121 /nfs/dbraw/zinc/43/91/21/1067439121.db2.gz CEKSPRUGKCMERN-FPOVZHCZSA-N 0 3 454.619 3.493 20 0 JGADHN Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(CC(C)C)n3CCN3CC=CCC3)C2)nc1 ZINC001304386307 1067440473 /nfs/dbraw/zinc/44/04/73/1067440473.db2.gz DFKNZLSTKGBKNT-NRFANRHFSA-N 0 3 451.619 3.297 20 0 JGADHN C[C@@H]1CN(C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1Cc1cccc(Br)n1 ZINC001302865635 1067446668 /nfs/dbraw/zinc/44/66/68/1067446668.db2.gz AHIZBJGJHAORFN-MRXNPFEDSA-N 0 3 477.451 3.471 20 0 JGADHN CC(C)Cc1nnc(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)n1CCN1CC=CCC1 ZINC001302877603 1067460119 /nfs/dbraw/zinc/46/01/19/1067460119.db2.gz XNRJJHOXTMVFOA-UHFFFAOYSA-N 0 3 468.621 3.410 20 0 JGADHN Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@]2(N(C)C)CCC[C@H](C)C2)cc1 ZINC001304410472 1067476487 /nfs/dbraw/zinc/47/64/87/1067476487.db2.gz FQGHTYYKPINYNH-XTJBDQBJSA-N 0 3 489.686 3.299 20 0 JGADHN Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CCCN2CCCC[C@@H]2C)cc1C ZINC001304411389 1067479167 /nfs/dbraw/zinc/47/91/67/1067479167.db2.gz SWFMCVCJULDQRS-JTHBVZDNSA-N 0 3 489.686 3.362 20 0 JGADHN C[C@H]1CN(C2CCOCC2)CCN1c1nnc(Cc2ccc(F)cc2)n1CCN(C)CC(F)(F)F ZINC001302901070 1067484565 /nfs/dbraw/zinc/48/45/65/1067484565.db2.gz FCCIEZNRVJTMID-SFHVURJKSA-N 0 3 498.569 3.192 20 0 JGADHN C[C@H]1CN(C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1CCc1cccc(C(=O)N(C)C)c1 ZINC001302902348 1067486575 /nfs/dbraw/zinc/48/65/75/1067486575.db2.gz FFEBEDGQZAIFPW-FQEVSTJZSA-N 0 3 482.673 3.210 20 0 JGADHN CC(C)Cc1nnc(N2CCc3c(F)ccc(F)c3C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001302908539 1067493507 /nfs/dbraw/zinc/49/35/07/1067493507.db2.gz SFAABPMKDJUHEK-QFIPXVFZSA-N 0 3 474.600 3.260 20 0 JGADHN Cc1ccc(OCCCn2c(C(=O)N3CCCC3)nnc2N2CCN(CC(C)C)CC2)cc1 ZINC001304423062 1067499462 /nfs/dbraw/zinc/49/94/62/1067499462.db2.gz PJSKLAMLFGMZPA-UHFFFAOYSA-N 0 3 454.619 3.070 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCN2CCCCC2)cc1 ZINC001304424212 1067501253 /nfs/dbraw/zinc/50/12/53/1067501253.db2.gz DNQNRQHAAQOJJR-LJQANCHMSA-N 0 3 453.509 3.419 20 0 JGADHN CC(C)Cc1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001302928271 1067505879 /nfs/dbraw/zinc/50/58/79/1067505879.db2.gz DNUHEENUUZOXNW-RTWAWAEBSA-N 0 3 462.683 3.203 20 0 JGADHN FC(F)(F)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001302935136 1067509324 /nfs/dbraw/zinc/50/93/24/1067509324.db2.gz YNNXVSVHDZTVOE-CQSZACIVSA-N 0 3 474.325 3.428 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1c(F)cccc1Cl ZINC001302943987 1067516995 /nfs/dbraw/zinc/51/69/95/1067516995.db2.gz NIFKFWAFALEAAI-UHFFFAOYSA-N 0 3 463.001 3.062 20 0 JGADHN Cc1ccc(SCc2nnc(N3CCS(=O)(=O)CC3)n2CC2(N(C)C)CCCCC2)cc1 ZINC001304441303 1067522221 /nfs/dbraw/zinc/52/22/21/1067522221.db2.gz UMQCTUUTCOOHLZ-UHFFFAOYSA-N 0 3 477.700 3.378 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C3CCOCC3)CC2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001302955684 1067528073 /nfs/dbraw/zinc/52/80/73/1067528073.db2.gz BJKAOLHJRWDRHM-OAQYLSRUSA-N 0 3 490.693 3.425 20 0 JGADHN Cc1cccc(C)c1NC(=O)CN1CCN(c2nnc(C(C)C)n2CCN2CC=CCC2)CC1 ZINC001304447679 1067528936 /nfs/dbraw/zinc/52/89/36/1067528936.db2.gz IAKNJYKMRHOMKF-UHFFFAOYSA-N 0 3 465.646 3.041 20 0 JGADHN CC(C)Cc1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1C[C@H](c1ccccc1)N(C)C ZINC001302958490 1067529814 /nfs/dbraw/zinc/52/98/14/1067529814.db2.gz DJNSEHFDTBLTRJ-RUZDIDTESA-N 0 3 495.716 3.304 20 0 JGADHN Cc1cccc(-c2nnc(N(C)C3CCN(CCn4cccn4)CC3)n2CCC(C)(F)F)n1 ZINC001304451306 1067532946 /nfs/dbraw/zinc/53/29/46/1067532946.db2.gz GTSGRWQSKMSTSH-UHFFFAOYSA-N 0 3 458.561 3.491 20 0 JGADHN CC(C)Cc1nnc(N2CCN(CC(C)C)CC2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001302961987 1067533154 /nfs/dbraw/zinc/53/31/54/1067533154.db2.gz RPLNIDKHIZOBDS-UHFFFAOYSA-N 0 3 454.545 3.176 20 0 JGADHN Fc1ccc(Cc2nnc(N3CCN(CC(F)(F)C(F)F)CC3)n2CCN2CC=CCC2)cc1 ZINC001302966569 1067536813 /nfs/dbraw/zinc/53/68/13/1067536813.db2.gz AQNXSOLABVPNTB-UHFFFAOYSA-N 0 3 484.517 3.292 20 0 JGADHN Fc1ccccc1-c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CC(F)(F)Br ZINC001302971450 1067539455 /nfs/dbraw/zinc/53/94/55/1067539455.db2.gz ZXNGVMJPAQWQMO-CQSZACIVSA-N 0 3 474.325 3.230 20 0 JGADHN Cc1cccc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2CCN(C)Cc2ccc(F)cc2)n1 ZINC001304468497 1067547198 /nfs/dbraw/zinc/54/71/98/1067547198.db2.gz FVOVKOSUFIQBEY-UHFFFAOYSA-N 0 3 479.604 3.402 20 0 JGADHN CC(C)CC[C@@](C)(O)Cn1c(Cc2ccsc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001303018252 1067571481 /nfs/dbraw/zinc/57/14/81/1067571481.db2.gz ZBLRQLPBWJQXTJ-XMMPIXPASA-N 0 3 461.676 3.419 20 0 JGADHN CC(C)CCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001303041062 1067585955 /nfs/dbraw/zinc/58/59/55/1067585955.db2.gz NJBCWXNETZNQSV-OAQYLSRUSA-N 0 3 472.609 3.175 20 0 JGADHN Cc1cccc(OCc2nnc(N3CCN(C4CCOCC4)C[C@H]3C)n2C[C@@](C)(O)C(C)C)c1 ZINC001304511485 1067587330 /nfs/dbraw/zinc/58/73/30/1067587330.db2.gz CSZQYDTVVPDZHD-QFQXNSOFSA-N 0 3 471.646 3.262 20 0 JGADHN Cc1ccccc1-c1nnc(N(CCS(C)(=O)=O)C2CC2)n1C[C@@H]1CCCN(C(C)C)C1 ZINC001304526445 1067599428 /nfs/dbraw/zinc/59/94/28/1067599428.db2.gz PTRPNZUWQGFOSD-HXUWFJFHSA-N 0 3 459.660 3.387 20 0 JGADHN CC(C)CCn1c([C@H]2CCCOC2)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC001303080221 1067614077 /nfs/dbraw/zinc/61/40/77/1067614077.db2.gz JCJCIWBCBMVIJC-DEOSSOPVSA-N 0 3 454.663 3.472 20 0 JGADHN Cc1ccccc1Cc1nnc(N(C)CCCS(C)(=O)=O)n1CC1(N(C)C)CCCCC1 ZINC001304548876 1067617645 /nfs/dbraw/zinc/61/76/45/1067617645.db2.gz WISAEZFIWXHPKB-UHFFFAOYSA-N 0 3 461.676 3.313 20 0 JGADHN O=C(NCC(F)(F)F)C1CCN(c2nnc(-c3ccccc3)n2CCN2CC=CCC2)CC1 ZINC001303083097 1067617822 /nfs/dbraw/zinc/61/78/22/1067617822.db2.gz ZKHARNOBHCXNMT-UHFFFAOYSA-N 0 3 462.520 3.102 20 0 JGADHN Cc1ccccc1Cc1nnc(N2CC(=O)N(C)C[C@H]2C)n1C[C@H](c1cccs1)N(C)C ZINC001304550540 1067620065 /nfs/dbraw/zinc/62/00/65/1067620065.db2.gz XTMUOCBKZVLYPB-UYAOXDASSA-N 0 3 452.628 3.209 20 0 JGADHN Cc1ccccc1Cc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCSC(C)C ZINC001304559898 1067629114 /nfs/dbraw/zinc/62/91/14/1067629114.db2.gz OQUNHVOQUIJKQF-QFIPXVFZSA-N 0 3 470.687 3.062 20 0 JGADHN Cc1ccccc1N1CCN(c2nnc(CC(C)C)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001304571557 1067639953 /nfs/dbraw/zinc/63/99/53/1067639953.db2.gz PEAZQWNCRDBETL-UHFFFAOYSA-N 0 3 453.679 3.138 20 0 JGADHN Cc1ccccc1O[C@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001304572437 1067641078 /nfs/dbraw/zinc/64/10/78/1067641078.db2.gz GXJYCHKYIOWVGF-FGZHOGPDSA-N 0 3 482.673 3.385 20 0 JGADHN Cc1ccccc1OCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001304581045 1067650351 /nfs/dbraw/zinc/65/03/51/1067650351.db2.gz NIXKOSSERQBLBN-FQEVSTJZSA-N 0 3 454.619 3.175 20 0 JGADHN Cc1cccc(OCc2nnc(N3CC=C(C)CC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001304598099 1067661202 /nfs/dbraw/zinc/66/12/02/1067661202.db2.gz LSAWSUJQTCXFRK-HSZRJFAPSA-N 0 3 466.630 3.265 20 0 JGADHN OCCCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001303151496 1067688603 /nfs/dbraw/zinc/68/86/03/1067688603.db2.gz WJUURXLPURJJLW-UHFFFAOYSA-N 0 3 463.026 3.095 20 0 JGADHN Cc1nc(C)c(CCn2c(C)nnc2N2CCN(CCN(C)Cc3ccccc3)CC2)s1 ZINC001304639765 1067707787 /nfs/dbraw/zinc/70/77/87/1067707787.db2.gz PWTVFIZLKNDTLH-UHFFFAOYSA-N 0 3 453.660 3.157 20 0 JGADHN CC(C)CN1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C2CCCCC2)C1 ZINC001303179424 1067713266 /nfs/dbraw/zinc/71/32/66/1067713266.db2.gz VPHWVDSXILONDF-VQTJNVASSA-N 0 3 451.681 3.317 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccc(Br)s3)n2CCC(=O)NC(C)C)CC1 ZINC001303184313 1067717533 /nfs/dbraw/zinc/71/75/33/1067717533.db2.gz RSFNJBNSVJMKAN-UHFFFAOYSA-N 0 3 483.480 3.462 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCNC(=O)C(C)(C)C)CC1 ZINC001303184702 1067717978 /nfs/dbraw/zinc/71/79/78/1067717978.db2.gz ZKWCSEABKOHEBJ-LJQANCHMSA-N 0 3 474.625 3.498 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCNC(=O)C(C)C)CC1 ZINC001303184791 1067718475 /nfs/dbraw/zinc/71/84/75/1067718475.db2.gz PFLQGQGZMXCZPR-UHFFFAOYSA-N 0 3 464.561 3.097 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCn2ccnn2)CC1 ZINC001303184853 1067718824 /nfs/dbraw/zinc/71/88/24/1067718824.db2.gz XDYFZGYGRNSKDX-UHFFFAOYSA-N 0 3 473.423 3.167 20 0 JGADHN Cc1nc(Cc2nnc(N(C)Cc3scnc3C)n2CCN2CCN(C)C(C)(C)C2)cs1 ZINC001304652512 1067720116 /nfs/dbraw/zinc/72/01/16/1067720116.db2.gz WFZXKJBGYWVMGL-UHFFFAOYSA-N 0 3 474.704 3.061 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccccc3Br)n2CC(=O)NCC2CC2)CC1 ZINC001303185386 1067720396 /nfs/dbraw/zinc/72/03/96/1067720396.db2.gz BAWRLXIVFWOCIH-UHFFFAOYSA-N 0 3 475.435 3.012 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@]2(O)CCO[C@@H]2C)CC1 ZINC001303185877 1067721649 /nfs/dbraw/zinc/72/16/49/1067721649.db2.gz PCQCRDZNMPEHFR-OPAMFIHVSA-N 0 3 496.425 3.165 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2cccs2)N(C)C)[C@H](C)C1=O ZINC001303188042 1067722015 /nfs/dbraw/zinc/72/20/15/1067722015.db2.gz BKMKVPRBFLHPSZ-IEBWSBKVSA-N 0 3 455.632 3.331 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@H]3CCOC3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001303191846 1067726118 /nfs/dbraw/zinc/72/61/18/1067726118.db2.gz IVDDCPNCMIIADG-RTWAWAEBSA-N 0 3 476.666 3.207 20 0 JGADHN CC(C)CN1CCN(c2nnc(CC3CC3)n2C[C@@H](c2ccc(F)cc2)N(C)C)[C@@H](C)C1=O ZINC001303195981 1067728974 /nfs/dbraw/zinc/72/89/74/1067728974.db2.gz MIVJLPOOZTWMHP-AVRDEDQJSA-N 0 3 456.610 3.366 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2C[C@@H]2C)CC1 ZINC001303195911 1067729180 /nfs/dbraw/zinc/72/91/80/1067729180.db2.gz FLIDBJFJVUYSAO-ZCNNSNEGSA-N 0 3 462.639 3.021 20 0 JGADHN CC(C)CN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@]2(O)CCSC2)CC1 ZINC001303198607 1067733820 /nfs/dbraw/zinc/73/38/20/1067733820.db2.gz GQDWCYWFAIVIOS-JOCHJYFZSA-N 0 3 466.051 3.157 20 0 JGADHN Cc1nc(Cc2nnc(N3CCN(C[C@@H]4CCOC4)CC3)n2CC(C)(C)C(F)(F)F)cs1 ZINC001304674772 1067745781 /nfs/dbraw/zinc/74/57/81/1067745781.db2.gz VMRAOMXWCFYGPY-INIZCTEOSA-N 0 3 472.581 3.381 20 0 JGADHN CC(C)COC(=O)N1CCN(c2nnc(CC3CC3)n2CCN(C)Cc2ccccc2)CC1 ZINC001303216983 1067754828 /nfs/dbraw/zinc/75/48/28/1067754828.db2.gz AUHVNSFHEBIYOB-UHFFFAOYSA-N 0 3 454.619 3.277 20 0 JGADHN CC(C)CSCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001303244152 1067772441 /nfs/dbraw/zinc/77/24/41/1067772441.db2.gz VLZGKRNUAWKUTP-OAQYLSRUSA-N 0 3 478.707 3.043 20 0 JGADHN Cc1nccn1CCCCn1c(N2CCCN(Cc3cnn(C)c3)CC2)nnc1C(C)(C)C ZINC001304704102 1067776452 /nfs/dbraw/zinc/77/64/52/1067776452.db2.gz MRWYDRBHLJJCQV-UHFFFAOYSA-N 0 3 453.639 3.007 20 0 JGADHN CC(C)CSCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001303252002 1067777844 /nfs/dbraw/zinc/77/78/44/1067777844.db2.gz NSHNOPPFFIMWMY-OAQYLSRUSA-N 0 3 451.681 3.458 20 0 JGADHN CC(C)CSCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001303253818 1067779555 /nfs/dbraw/zinc/77/95/55/1067779555.db2.gz YDXANENMFDFVIO-NRFANRHFSA-N 0 3 451.681 3.110 20 0 JGADHN CC(C)[N@H+](C)CCCn1c(C2CCCC2)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001303265117 1067792524 /nfs/dbraw/zinc/79/25/24/1067792524.db2.gz GQNVPCYYTQACRL-UHFFFAOYSA-N 0 3 454.619 3.334 20 0 JGADHN CC(C)[N@@H+](C)CCCn1c(C2CCCC2)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001303265117 1067792529 /nfs/dbraw/zinc/79/25/29/1067792529.db2.gz GQNVPCYYTQACRL-UHFFFAOYSA-N 0 3 454.619 3.334 20 0 JGADHN CC(C)N(C)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001303272193 1067801697 /nfs/dbraw/zinc/80/16/97/1067801697.db2.gz ZZOJBVNAVKGGJI-HXUWFJFHSA-N 0 3 485.658 3.079 20 0 JGADHN CC(C)N(CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)C(C)C ZINC001303297671 1067821694 /nfs/dbraw/zinc/82/16/94/1067821694.db2.gz UPTFZZSHFVGCTO-DEOSSOPVSA-N 0 3 495.640 3.281 20 0 JGADHN CC(C)N(CCn1c(Nc2cnn(CC3CCC3)c2)nnc1[C@H]1CCS(=O)(=O)C1)C(C)C ZINC001303298424 1067823727 /nfs/dbraw/zinc/82/37/27/1067823727.db2.gz UKAVVCUULQPDDU-IBGZPJMESA-N 0 3 463.652 3.039 20 0 JGADHN CC(C)N1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[S@](=O)C(C)(C)C)CC1 ZINC001303308004 1067835589 /nfs/dbraw/zinc/83/55/89/1067835589.db2.gz NGEQYKVPRDBICS-PMERELPUSA-N 0 3 453.056 3.461 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N3CCCO[C@@H](C)C3)n2C[C@@H](c2cccc(F)c2)N(C)C)n1 ZINC001304757994 1067841926 /nfs/dbraw/zinc/84/19/26/1067841926.db2.gz BREIOKAWXQBPOM-UGKGYDQZSA-N 0 3 455.582 3.197 20 0 JGADHN CC(C)N1CCN([C@@H]2CCN(c3nnc(-c4ccccc4)n3CCCNC(=O)OC(C)(C)C)C2)CC1 ZINC001303317117 1067845476 /nfs/dbraw/zinc/84/54/76/1067845476.db2.gz QKWCYQICACDZDX-HSZRJFAPSA-N 0 3 497.688 3.465 20 0 JGADHN CC(C)N1CCN([C@H]2CCN(c3nnc(C4CCC4)n3CC(C)(C)NC(=O)OC(C)(C)C)C2)CC1 ZINC001303318735 1067850867 /nfs/dbraw/zinc/85/08/67/1067850867.db2.gz ZUKICHFVTBHBLT-NRFANRHFSA-N 0 3 489.709 3.454 20 0 JGADHN CC(C)NC(=O)c1nnc(N(C)Cc2ccsc2)n1Cc1ccccc1CN1CCC(O)CC1 ZINC001303335738 1067865239 /nfs/dbraw/zinc/86/52/39/1067865239.db2.gz UZCNXROVASSELO-UHFFFAOYSA-N 0 3 482.654 3.119 20 0 JGADHN CC(C)NC(=O)c1nnc(N(C)CCC2CCOCC2)n1C[C@@H]1CCCN1Cc1ccccc1 ZINC001303341147 1067870253 /nfs/dbraw/zinc/87/02/53/1067870253.db2.gz SEVHOPUKLUDSPZ-QHCPKHFHSA-N 0 3 468.646 3.334 20 0 JGADHN CC(C)NC(=O)c1nnc(N(Cc2cccc(F)c2)C(C)C)n1C[C@@]1(N(C)C)CCSC1 ZINC001303343223 1067871460 /nfs/dbraw/zinc/87/14/60/1067871460.db2.gz HZLVERMBKFIVFF-QHCPKHFHSA-N 0 3 462.639 3.408 20 0 JGADHN CC(C)NC(=O)c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1CC1(N2CCSCC2)CCCCC1 ZINC001303348385 1067875729 /nfs/dbraw/zinc/87/57/29/1067875729.db2.gz AAMQVZNDSRXIIW-LJQANCHMSA-N 0 3 478.707 3.172 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCC(CN3CCOCC3)CC2)n1CCc1ccc(F)cc1Cl ZINC001303366914 1067896024 /nfs/dbraw/zinc/89/60/24/1067896024.db2.gz CSKOSBNSNQANLN-UHFFFAOYSA-N 0 3 493.027 3.000 20 0 JGADHN Cc1nnc(N2CCN(C(=O)c3ccccc3[O-])CC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001304849108 1067902955 /nfs/dbraw/zinc/90/29/55/1067902955.db2.gz NHTAEOJCCCDHNX-OALUTQOASA-N 0 3 454.619 3.011 20 0 JGADHN Cc1nnc(N2CCN(C(=O)c3ccccc3[O-])CC2)n1CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304849522 1067903266 /nfs/dbraw/zinc/90/32/66/1067903266.db2.gz ZFHWQIOMTPIMFP-BGYRXZFFSA-N 0 3 454.619 3.013 20 0 JGADHN Cc1nnc(N2CCN(C(=O)c3ccccc3[O-])CC2)n1CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304849522 1067903271 /nfs/dbraw/zinc/90/32/71/1067903271.db2.gz ZFHWQIOMTPIMFP-BGYRXZFFSA-N 0 3 454.619 3.013 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@H](c1ccccc1)N1CCCC1 ZINC001303374148 1067905423 /nfs/dbraw/zinc/90/54/23/1067905423.db2.gz RLKWJPLQHNXDJR-LJQANCHMSA-N 0 3 494.562 3.147 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCc3ccc(Cl)nc3C2)n1C[C@@H]1N(C)CCCC1(C)C ZINC001303377433 1067907551 /nfs/dbraw/zinc/90/75/51/1067907551.db2.gz FIUOYHGQNGCANF-SFHVURJKSA-N 0 3 460.026 3.148 20 0 JGADHN Cc1noc([C@H](C)N2CCN(c3nnc(CC(C)C)n3C[C@@H](c3cccs3)N(C)C)CC2)n1 ZINC001304874996 1067917687 /nfs/dbraw/zinc/91/76/87/1067917687.db2.gz KYELNMRBMSRAOP-HKUYNNGSSA-N 0 3 472.663 3.416 20 0 JGADHN Cc1noc(C)c1[C@H](C)Cn1c(CC(C)C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001304880857 1067925718 /nfs/dbraw/zinc/92/57/18/1067925718.db2.gz ZNDUVOOYXMGODL-KNQAVFIVSA-N 0 3 457.667 3.490 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCCN(Cc3ccccc3)CC2)n1CC1C[C@@H](C)O[C@H](C)C1 ZINC001303397396 1067926144 /nfs/dbraw/zinc/92/61/44/1067926144.db2.gz HZIOIWNKGKJFRD-NHCUHLMSSA-N 0 3 468.646 3.332 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCCN(Cc3ccccc3)CC2)n1C[C@@](C)(O)c1cccs1 ZINC001303399001 1067927482 /nfs/dbraw/zinc/92/74/82/1067927482.db2.gz WCPUPLXYTYZEGY-RUZDIDTESA-N 0 3 482.654 3.098 20 0 JGADHN Cc1noc(C)c1CN(C)c1nnc(CN2CCCC2=O)n1C[C@H](c1cccs1)N(C)C ZINC001304885777 1067929836 /nfs/dbraw/zinc/92/98/36/1067929836.db2.gz BOOVISBSTAVQCX-GOSISDBHSA-N 0 3 457.604 3.006 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CCCCN(C)c1ccccc1 ZINC001303405179 1067933297 /nfs/dbraw/zinc/93/32/97/1067933297.db2.gz JZIGQEXKKNPGJZ-QFIPXVFZSA-N 0 3 497.688 3.022 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1Cc1ccc(C(C)(F)F)cc1 ZINC001303405662 1067933688 /nfs/dbraw/zinc/93/36/88/1067933688.db2.gz YOKAISDWXRZYLL-SFHVURJKSA-N 0 3 490.599 3.266 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@]1(C)CCO[C@H]1C1CC1 ZINC001303410535 1067936922 /nfs/dbraw/zinc/93/69/22/1067936922.db2.gz UMFJUQFRZYLNLJ-CPJSRVTESA-N 0 3 460.667 3.180 20 0 JGADHN Cc1cc(S(N)(=O)=O)c(C)cc1NC(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001303424105 1067948910 /nfs/dbraw/zinc/94/89/10/1067948910.db2.gz KLNGFOFIYSTAAY-FQEVSTJZSA-N 0 3 455.502 3.344 20 0 JGADHN C[C@@H]1C[C@@H](C)CN(C(C)(C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCCCCC2)C1 ZINC001304913071 1067957268 /nfs/dbraw/zinc/95/72/68/1067957268.db2.gz SRZXSTQJMMALPR-VAMGGRTRSA-N 0 3 451.681 3.317 20 0 JGADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001304915530 1067959438 /nfs/dbraw/zinc/95/94/38/1067959438.db2.gz DFPXYJVOCDZZCD-HSALFYBXSA-N 0 3 488.702 3.208 20 0 JGADHN CC(C)NC(=O)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](c1ccsc1)N(C)C ZINC001303438309 1067962435 /nfs/dbraw/zinc/96/24/35/1067962435.db2.gz WJTAEDIIYPQXLQ-JOCHJYFZSA-N 0 3 492.653 3.456 20 0 JGADHN CC(C)NC(=O)CN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](c1ccsc1)N(C)C ZINC001303438310 1067962516 /nfs/dbraw/zinc/96/25/16/1067962516.db2.gz WJTAEDIIYPQXLQ-QFIPXVFZSA-N 0 3 492.653 3.456 20 0 JGADHN C[C@@H]1C[C@@H](C)CN(CCCn2c(CCc3ccccc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001304926672 1067971116 /nfs/dbraw/zinc/97/11/16/1067971116.db2.gz GTSBHBQRKYWBPN-MQSCRBSSSA-N 0 3 473.687 3.055 20 0 JGADHN C[C@@H]1C[C@H](C)CN(CCCn2c(COc3ccc(Cl)cc3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001304928328 1067976041 /nfs/dbraw/zinc/97/60/41/1067976041.db2.gz MRMJQIKXUVKXKB-KDURUIRLSA-N 0 3 496.077 3.113 20 0 JGADHN C[C@H]1C[C@H](C)CN(CCCn2c(COc3ccc(Cl)cc3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001304928329 1067976196 /nfs/dbraw/zinc/97/61/96/1067976196.db2.gz MRMJQIKXUVKXKB-OALUTQOASA-N 0 3 496.077 3.113 20 0 JGADHN CC(C)NC(=O)CN1CCN(c2nnc(CC3CCCC3)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001303459804 1067978972 /nfs/dbraw/zinc/97/89/72/1067978972.db2.gz DHTIVPIFGKGFTN-OAQYLSRUSA-N 0 3 487.718 3.022 20 0 JGADHN C[C@@H]1CCC[C@](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@H](C)[C@@H](C)C2)(N(C)C)C1 ZINC001304983751 1068026166 /nfs/dbraw/zinc/02/61/66/1068026166.db2.gz FMBFLDCNZYIYFV-MZSWFSNMSA-N 0 3 451.681 3.173 20 0 JGADHN CC(C)O[C@]1(c2nnc(N3CCN(C4CCOCC4)C[C@@H]3C)n2CCSC(C)C)CCOC1 ZINC001303501156 1068028890 /nfs/dbraw/zinc/02/88/90/1068028890.db2.gz FEWWYQIUWZHOHM-GBXCKJPGSA-N 0 3 481.707 3.150 20 0 JGADHN CC(C)O[C@@]1(c2nnc(N3CCN(C4CCOCC4)C[C@@H]3C)n2CCSC(C)C)CCOC1 ZINC001303501158 1068028966 /nfs/dbraw/zinc/02/89/66/1068028966.db2.gz FEWWYQIUWZHOHM-RDPSFJRHSA-N 0 3 481.707 3.150 20 0 JGADHN CC(C)O[C@@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@H](C)c2nccs2)CCOC1 ZINC001303502080 1068031422 /nfs/dbraw/zinc/03/14/22/1068031422.db2.gz LBUZUPQVWXGYEM-JPYJTQIMSA-N 0 3 462.664 3.499 20 0 JGADHN CC(C)O[C@]1(c2nnc(N3CCSCC3)n2C[C@H](c2cccs2)N(C)C)CCOC1 ZINC001303511418 1068047070 /nfs/dbraw/zinc/04/70/70/1068047070.db2.gz TZODIADRVGLKFC-DYESRHJHSA-N 0 3 451.662 3.236 20 0 JGADHN C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCN1CCCC[C@@H]1C ZINC001305015840 1068059188 /nfs/dbraw/zinc/05/91/88/1068059188.db2.gz FZCJINCMUCHWCJ-VQTJNVASSA-N 0 3 499.685 3.469 20 0 JGADHN C[C@@H]1CCCCN1CCCn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001305019590 1068065877 /nfs/dbraw/zinc/06/58/77/1068065877.db2.gz LFSCUAMFZPEIPH-FYYLOGMGSA-N 0 3 489.686 3.178 20 0 JGADHN C[C@H]1CCCCN1CCCn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001305019599 1068066330 /nfs/dbraw/zinc/06/63/30/1068066330.db2.gz LFSCUAMFZPEIPH-JTHBVZDNSA-N 0 3 489.686 3.178 20 0 JGADHN CC(C)OCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CCOCC2)CC1 ZINC001303552006 1068077865 /nfs/dbraw/zinc/07/78/65/1068077865.db2.gz ITGBWPGLVAKXNV-UHFFFAOYSA-N 0 3 463.573 3.263 20 0 JGADHN CC(C)OCCn1c(COc2ccccc2F)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001303567547 1068090916 /nfs/dbraw/zinc/09/09/16/1068090916.db2.gz VCVYXJZTQQHLNR-IBGZPJMESA-N 0 3 461.582 3.111 20 0 JGADHN CC(C)OCCN1CCN(c2nnc(-c3ccccn3)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001303570716 1068095188 /nfs/dbraw/zinc/09/51/88/1068095188.db2.gz WGEGNDYSBBAZGI-OAQYLSRUSA-N 0 3 469.659 3.252 20 0 JGADHN CC(C)NC(=O)c1nnc(N(C)Cc2cc(F)c(F)c(F)c2)n1CCN1CCC[C@H](C)C1 ZINC001305042347 1068097864 /nfs/dbraw/zinc/09/78/64/1068097864.db2.gz HQXSXFCBOJLSES-HNNXBMFYSA-N 0 3 452.525 3.202 20 0 JGADHN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(C(=O)N2CCCC2)n1CCN1CCC[C@@H](C)C1 ZINC001305044327 1068101320 /nfs/dbraw/zinc/10/13/20/1068101320.db2.gz ZSFDMZWGFRZFRF-FRKOPMCESA-N 0 3 486.686 3.181 20 0 JGADHN C[C@@H]1CCCN(CCn2c(C(=O)N3CCCC3)nnc2N(C)CCCOc2ccc(F)cc2)C1 ZINC001305044310 1068101476 /nfs/dbraw/zinc/10/14/76/1068101476.db2.gz ZIXLUGPBUXZGGA-HXUWFJFHSA-N 0 3 472.609 3.290 20 0 JGADHN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(-c2cccnc2)n1CCN1CC=CCC1 ZINC001303595037 1068116072 /nfs/dbraw/zinc/11/60/72/1068116072.db2.gz AZBFDVUZTSXUAS-LJQANCHMSA-N 0 3 466.611 3.203 20 0 JGADHN C[C@@H]1CCCN1CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(F)cc1F ZINC001305058926 1068122219 /nfs/dbraw/zinc/12/22/19/1068122219.db2.gz JKIXHWRIVXGQAW-MRXNPFEDSA-N 0 3 455.513 3.324 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCc3c(F)cc(F)cc3C2)n1C[C@H](C)N1CCC(C)CC1 ZINC001305062629 1068129930 /nfs/dbraw/zinc/12/99/30/1068129930.db2.gz DCAVOUNLJQXLBP-KRWDZBQOSA-N 0 3 460.573 3.378 20 0 JGADHN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(C2CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001303603883 1068136646 /nfs/dbraw/zinc/13/66/46/1068136646.db2.gz UNXAWNGHTZIYRW-HYHKQLJDSA-N 0 3 458.676 3.116 20 0 JGADHN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(Cc2ccccn2)n1CCN1CC=CCC1 ZINC001303606739 1068141601 /nfs/dbraw/zinc/14/16/01/1068141601.db2.gz PWGJORWARYPCHN-QFIPXVFZSA-N 0 3 473.625 3.182 20 0 JGADHN C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc3cccnc32)n1CCCN1CCC(C)CC1 ZINC001305107093 1068175774 /nfs/dbraw/zinc/17/57/74/1068175774.db2.gz YIWYKMREHYFXMM-HXUWFJFHSA-N 0 3 484.670 3.485 20 0 JGADHN C[C@@H](CCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)N1CCCCC1 ZINC001303667091 1068201415 /nfs/dbraw/zinc/20/14/15/1068201415.db2.gz FYJQOOAADLHMAF-PZJWPPBQSA-N 0 3 477.650 3.286 20 0 JGADHN C[C@H](CCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)N1CCCCC1 ZINC001303667092 1068201471 /nfs/dbraw/zinc/20/14/71/1068201471.db2.gz FYJQOOAADLHMAF-TZIWHRDSSA-N 0 3 477.650 3.286 20 0 JGADHN C[C@H]1CN(C)C(=O)CN1c1nnc(CSc2ccc(Cl)cc2)n1CCN1CCCCC1 ZINC001305121054 1068203536 /nfs/dbraw/zinc/20/35/36/1068203536.db2.gz GWORKGYMILQPRI-KRWDZBQOSA-N 0 3 463.051 3.377 20 0 JGADHN C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001303674007 1068211546 /nfs/dbraw/zinc/21/15/46/1068211546.db2.gz IWAHTMVHPFRTKM-RTBURBONSA-N 0 3 464.655 3.206 20 0 JGADHN CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)N2C1CCN(C(=O)CCC(=O)c2ccccn2)CC1 ZINC001303674246 1068211982 /nfs/dbraw/zinc/21/19/82/1068211982.db2.gz AEXDNLRIOMZYEJ-BGYRXZFFSA-N 0 3 456.587 3.119 20 0 JGADHN C[C@H](CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(N(C)C)CCSC1)c1ccccc1 ZINC001303674772 1068212981 /nfs/dbraw/zinc/21/29/81/1068212981.db2.gz PPEPHZYWLPEWJJ-DVECYGJZSA-N 0 3 456.660 3.191 20 0 JGADHN C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCC2)CC1)Sc1ccccc1 ZINC001303688888 1068228245 /nfs/dbraw/zinc/22/82/45/1068228245.db2.gz PQKGJGDAHNDGMS-RTBURBONSA-N 0 3 492.715 3.134 20 0 JGADHN CC(C)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS[C@@H](C)C1)N1CCCC1 ZINC001305144660 1068244915 /nfs/dbraw/zinc/24/49/15/1068244915.db2.gz RAOFSFDNYHYACF-GHTZIAJQSA-N 0 3 477.700 3.411 20 0 JGADHN C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(C2CCCC2)CC1)N(C)C(=O)OC(C)(C)C ZINC001303716857 1068264585 /nfs/dbraw/zinc/26/45/85/1068264585.db2.gz JHYJGOVTMALYSZ-UXHICEINSA-N 0 3 476.666 3.492 20 0 JGADHN C[C@H](Cn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1C(C)(C)C)c1ccc(F)cc1 ZINC001303739733 1068300065 /nfs/dbraw/zinc/30/00/65/1068300065.db2.gz VRELXYKLVODNBP-WIYYLYMNSA-N 0 3 456.610 3.261 20 0 JGADHN C[C@@H](Cn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1C(C)(C)C)c1ccc(F)cc1 ZINC001303739731 1068300375 /nfs/dbraw/zinc/30/03/75/1068300375.db2.gz VRELXYKLVODNBP-RXVVDRJESA-N 0 3 456.610 3.261 20 0 JGADHN C[C@@H](Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1C(=O)NCc1ccc(Cl)cc1)N(C)C ZINC001303743050 1068301937 /nfs/dbraw/zinc/30/19/37/1068301937.db2.gz LHMIFJFRLKZELW-SUMWQHHRSA-N 0 3 478.935 3.332 20 0 JGADHN C[C@@H](CN1CCCC1)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)c(Cl)c1 ZINC001303745290 1068305928 /nfs/dbraw/zinc/30/59/28/1068305928.db2.gz NBUIYZMRPBSIAU-WMZOPIPTSA-N 0 3 484.041 3.341 20 0 JGADHN C[C@@H](CN1CCCC1)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)c(Cl)c1 ZINC001303745288 1068306103 /nfs/dbraw/zinc/30/61/03/1068306103.db2.gz NBUIYZMRPBSIAU-FUHWJXTLSA-N 0 3 484.041 3.341 20 0 JGADHN CC(C)N1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C)CN2CCOCC2)CC1 ZINC001303754221 1068316718 /nfs/dbraw/zinc/31/67/18/1068316718.db2.gz GTZKNARZDCVLGA-SFHVURJKSA-N 0 3 465.017 3.236 20 0 JGADHN C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCN2CCN(C)C(C)(C)C2)C[C@H](C)S1 ZINC001305193811 1068318140 /nfs/dbraw/zinc/31/81/40/1068318140.db2.gz XNUXCLXONNAVLH-OALUTQOASA-N 0 3 460.667 3.364 20 0 JGADHN C[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCN2CCN(C)C(C)(C)C2)C[C@@H](C)S1 ZINC001305205539 1068331690 /nfs/dbraw/zinc/33/16/90/1068331690.db2.gz DWNIXOJPBJIBFT-NHCUHLMSSA-N 0 3 456.704 3.420 20 0 JGADHN C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(C2CCCC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001303765949 1068337825 /nfs/dbraw/zinc/33/78/25/1068337825.db2.gz NZEFDTUFLTUPHV-PMACEKPBSA-N 0 3 476.666 3.255 20 0 JGADHN C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](c2ccccc2)N(C)C)CCCO1 ZINC001305211869 1068341632 /nfs/dbraw/zinc/34/16/32/1068341632.db2.gz URQMUHNXCKHFJE-ICSRJNTNSA-N 0 3 468.627 3.188 20 0 JGADHN C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](c2cccs2)N(C)C)C[C@H](C)O1 ZINC001305211896 1068341701 /nfs/dbraw/zinc/34/17/01/1068341701.db2.gz VCLLJBUBSOPKJV-BBWFWOEESA-N 0 3 474.656 3.248 20 0 JGADHN C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](c2ccccc2)N(C)C)CCCO1 ZINC001305211867 1068341954 /nfs/dbraw/zinc/34/19/54/1068341954.db2.gz URQMUHNXCKHFJE-AZUAARDMSA-N 0 3 468.627 3.188 20 0 JGADHN C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(N2CCN(C3CCOCC3)C[C@@H]2C)nnc1C(C)(C)C ZINC001303770546 1068344484 /nfs/dbraw/zinc/34/44/84/1068344484.db2.gz YWGYRFFMHWERLN-OALUTQOASA-N 0 3 478.682 3.426 20 0 JGADHN C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC(C)(C)CN(C)C ZINC001303772574 1068350663 /nfs/dbraw/zinc/35/06/63/1068350663.db2.gz ACRVIYZELFUGNP-QGZVFWFLSA-N 0 3 474.631 3.057 20 0 JGADHN CC(C)N1CCN(c2nnc(CCc3ccccc3)n2CCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001305224605 1068367049 /nfs/dbraw/zinc/36/70/49/1068367049.db2.gz YBOZSJPOXWZRLP-ZRZAMGCNSA-N 0 3 454.663 3.093 20 0 JGADHN C[C@@H]1COCCN1c1nnc(-c2cc(F)ccc2Br)n1CCN1CCN(C)C(C)(C)C1 ZINC001305231930 1068378109 /nfs/dbraw/zinc/37/81/09/1068378109.db2.gz XVLZIRSHTMLVQM-MRXNPFEDSA-N 0 3 495.441 3.098 20 0 JGADHN CO[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC001303798377 1068389883 /nfs/dbraw/zinc/38/98/83/1068389883.db2.gz ANSBBSWFXNOYBP-GVAOLFSASA-N 0 3 451.567 3.137 20 0 JGADHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(-c3cnccn3)n2CCN2CC=CCC2)C1 ZINC001303801281 1068396858 /nfs/dbraw/zinc/39/68/58/1068396858.db2.gz VIOJSEOTOUWPAX-PMACEKPBSA-N 0 3 482.633 3.127 20 0 JGADHN C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)c2cccs2)n1C[C@H](c1ccccc1)N(C)C ZINC001303805514 1068408852 /nfs/dbraw/zinc/40/88/52/1068408852.db2.gz ZCPJTVSPXZSLNO-JENIJYKNSA-N 0 3 476.672 3.450 20 0 JGADHN CCC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2ccc(CC)cc2)N(C)C)C1 ZINC001305278552 1068480149 /nfs/dbraw/zinc/48/01/49/1068480149.db2.gz OHWZULCMLNXGKT-YTFSRNRJSA-N 0 3 468.646 3.490 20 0 JGADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]2c2ccco2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001303851392 1068489005 /nfs/dbraw/zinc/48/90/05/1068489005.db2.gz FPPJDSUGAIFVBF-DBVUQKKJSA-N 0 3 490.605 3.265 20 0 JGADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCCCC3)CC2)n1Cc1ccc(Cl)cc1F ZINC001303861046 1068500476 /nfs/dbraw/zinc/50/04/76/1068500476.db2.gz DIDFRPXCKUNLRV-INIZCTEOSA-N 0 3 499.056 3.184 20 0 JGADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCCCC3)CC2)n1CCCC(C)(C)C ZINC001303863404 1068501589 /nfs/dbraw/zinc/50/15/89/1068501589.db2.gz RMRPMIDHAVZLNW-GOSISDBHSA-N 0 3 454.685 3.169 20 0 JGADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1Cc1coc2ccccc12 ZINC001303865947 1068502920 /nfs/dbraw/zinc/50/29/20/1068502920.db2.gz WNDNQKLPTOZVDZ-GOSISDBHSA-N 0 3 488.658 3.241 20 0 JGADHN C[C@@H](O)c1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCN(CCC(C)(C)C)CC2)cc1 ZINC001303889880 1068528126 /nfs/dbraw/zinc/52/81/26/1068528126.db2.gz INTRJAQPONVQLA-HXUWFJFHSA-N 0 3 468.646 3.174 20 0 JGADHN CC[C@@H](C)[C@@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001305316863 1068531729 /nfs/dbraw/zinc/53/17/29/1068531729.db2.gz XXBUYRFWGGLFTK-CLOONOSVSA-N 0 3 471.650 3.281 20 0 JGADHN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCC(C)(F)F ZINC001303897910 1068539363 /nfs/dbraw/zinc/53/93/63/1068539363.db2.gz MYODBODTSSLIJE-YLJYHZDGSA-N 0 3 494.562 3.345 20 0 JGADHN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1CCN(C)C1CCCC1 ZINC001303898299 1068539945 /nfs/dbraw/zinc/53/99/45/1068539945.db2.gz NMGLQEIBWDWRED-GCJKJVERSA-N 0 3 493.649 3.445 20 0 JGADHN CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001305322530 1068541662 /nfs/dbraw/zinc/54/16/62/1068541662.db2.gz OWNCNUQYUIGMHV-BFFCPOFVSA-N 0 3 486.661 3.023 20 0 JGADHN C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCCC1 ZINC001303916190 1068567667 /nfs/dbraw/zinc/56/76/67/1068567667.db2.gz DJZOJOQSLSSWLF-ICSRJNTNSA-N 0 3 493.649 3.445 20 0 JGADHN C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCCC1 ZINC001303916353 1068568278 /nfs/dbraw/zinc/56/82/78/1068568278.db2.gz GSQNOXRQNZBTGJ-RBUKOAKNSA-N 0 3 493.649 3.445 20 0 JGADHN C[C@@H](Oc1ccccc1F)c1nnc(N2CCS(=O)(=O)CC2)n1CCCN1CCCC[C@H]1C ZINC001303938539 1068597406 /nfs/dbraw/zinc/59/74/06/1068597406.db2.gz TYDNZOGSWRGUKO-RTBURBONSA-N 0 3 479.622 3.057 20 0 JGADHN C[C@@H](Oc1ccccc1F)c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001303938764 1068597467 /nfs/dbraw/zinc/59/74/67/1068597467.db2.gz VTMVALJMPXUHEJ-GGPKGHCWSA-N 0 3 462.589 3.377 20 0 JGADHN CC[C@@H](C)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC(CN2CCOCC2)CC1)OC ZINC001305352374 1068598403 /nfs/dbraw/zinc/59/84/03/1068598403.db2.gz LGCDIYCAUOHNMK-AUSIDOKSSA-N 0 3 456.635 3.258 20 0 JGADHN CC[C@H](C)[C@@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCN(CC(C)C)CC1)OC ZINC001305355461 1068603279 /nfs/dbraw/zinc/60/32/79/1068603279.db2.gz VOWFXXBWYIKNDX-SIKLNZKXSA-N 0 3 481.645 3.031 20 0 JGADHN CC[C@H](C)c1nnc(N(C)CC(C)(C)CN2CCOCC2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC001305374165 1068628137 /nfs/dbraw/zinc/62/81/37/1068628137.db2.gz CODNJGVDKDXMNR-BHDDXSALSA-N 0 3 478.726 3.474 20 0 JGADHN CC[C@@H](C)c1nnc(N(CC)Cc2nc3ccccc3c(=O)[nH]2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001305403997 1068644255 /nfs/dbraw/zinc/64/42/55/1068644255.db2.gz KQSCJQZPGDHRNS-WOJBJXKFSA-N 0 3 480.661 3.493 20 0 JGADHN CC[C@H](C)c1nnc(N(CC)Cc2nc3ccccc3c(=O)[nH]2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001305403995 1068644320 /nfs/dbraw/zinc/64/43/20/1068644320.db2.gz KQSCJQZPGDHRNS-VQTJNVASSA-N 0 3 480.661 3.493 20 0 JGADHN CC[C@H](C)c1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1Cc1ccc(OC)cc1OC ZINC001305411770 1068650501 /nfs/dbraw/zinc/65/05/01/1068650501.db2.gz MBHGXRGCXZIZQR-SKPFHBQLSA-N 0 3 498.672 3.236 20 0 JGADHN CC[C@H](C)c1nnc(N2C[C@H](N3CCN(C(C)=O)CC3)[C@@H](C)C2)n1C[C@@H](c1cccs1)N(C)C ZINC001305412984 1068652095 /nfs/dbraw/zinc/65/20/95/1068652095.db2.gz SBGAMXSJVJOJMI-LGGPRVQUSA-N 0 3 487.718 3.145 20 0 JGADHN CC[C@H](C)c1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001305414813 1068653275 /nfs/dbraw/zinc/65/32/75/1068653275.db2.gz SAAUDZFXBDNNNL-UWHLTILDSA-N 0 3 477.698 3.167 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001305426116 1068662890 /nfs/dbraw/zinc/66/28/90/1068662890.db2.gz NXJXWQKZRVDFHV-FGZHOGPDSA-N 0 3 496.704 3.376 20 0 JGADHN CC[C@H](C)c1nnc(N2CC[C@@](C)(N3CCOCC3)C2)n1C[C@@H](c1cccc(OC)c1)N(C)C ZINC001305429471 1068668031 /nfs/dbraw/zinc/66/80/31/1068668031.db2.gz MKNNHDISQCKIRC-AMZDPNTKSA-N 0 3 470.662 3.404 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCC(CNC(C)=O)CC2)n1C[C@@H](c1cccc(OC)c1)N(C)C ZINC001305448550 1068682292 /nfs/dbraw/zinc/68/22/92/1068682292.db2.gz HZWORXIGXXHNDQ-JPYJTQIMSA-N 0 3 456.635 3.456 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC(CNC(C)=O)CC2)n1C[C@H](c1cccc(OC)c1)N(C)C ZINC001305448549 1068682298 /nfs/dbraw/zinc/68/22/98/1068682298.db2.gz HZWORXIGXXHNDQ-FDDCHVKYSA-N 0 3 456.635 3.456 20 0 JGADHN CC[C@@H](C)c1nnc(N2CC[C@H](N3CCN(CC)CC3)C2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001305454880 1068694069 /nfs/dbraw/zinc/69/40/69/1068694069.db2.gz ASXSVVIBQCJKIY-QUCCMNQESA-N 0 3 495.594 3.392 20 0 JGADHN CC[C@H](C)c1nnc(N2CC[C@@](O)(c3cccc(F)c3)C2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001305457397 1068698569 /nfs/dbraw/zinc/69/85/69/1068698569.db2.gz HDGMIZVYGFIAFP-WOVHNISZSA-N 0 3 472.653 3.302 20 0 JGADHN CC[C@H](C)c1nnc(N2CC[C@](O)(c3cccc(F)c3)C2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001305457394 1068698585 /nfs/dbraw/zinc/69/85/85/1068698585.db2.gz HDGMIZVYGFIAFP-ISJBWFOZSA-N 0 3 472.653 3.302 20 0 JGADHN CC[C@H](C)c1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CCNC(=O)c1ccc(C)c(F)c1 ZINC001305460932 1068703942 /nfs/dbraw/zinc/70/39/42/1068703942.db2.gz XUHRDMBVGGMPHD-NZQKXSOJSA-N 0 3 499.679 3.274 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001305497408 1068733669 /nfs/dbraw/zinc/73/36/69/1068733669.db2.gz ZMKFPKBQUHJAIZ-JQVVWYNYSA-N 0 3 494.681 3.341 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001305513155 1068756511 /nfs/dbraw/zinc/75/65/11/1068756511.db2.gz IKEMEAQFSHVCIZ-NYVOZVTQSA-N 0 3 472.609 3.061 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@@H](C)Oc1cccc(C)c1 ZINC001305513915 1068758870 /nfs/dbraw/zinc/75/88/70/1068758870.db2.gz MLQXRVBKYVZYRZ-QZNHQXDQSA-N 0 3 468.646 3.310 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 ZINC001305514468 1068760115 /nfs/dbraw/zinc/76/01/15/1068760115.db2.gz PBBACTZSECFHHM-VQTJNVASSA-N 0 3 498.672 3.162 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCOc1ccccc1Cl ZINC001305514531 1068760498 /nfs/dbraw/zinc/76/04/98/1068760498.db2.gz OOMRULVGYJXVTB-IBGZPJMESA-N 0 3 475.037 3.268 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1CC(C)(C)c1ccccn1 ZINC001305514508 1068760766 /nfs/dbraw/zinc/76/07/66/1068760766.db2.gz PJXHTDFDQBDVFO-HXUWFJFHSA-N 0 3 455.651 3.155 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1C[C@@H](C)N1CCc2ccccc21 ZINC001305514536 1068760837 /nfs/dbraw/zinc/76/08/37/1068760837.db2.gz PQRVFTMYLVOYHS-FCHUYYIVSA-N 0 3 481.689 3.233 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305519694 1068770228 /nfs/dbraw/zinc/77/02/28/1068770228.db2.gz SCBYINWLDBNAQJ-WOJBJXKFSA-N 0 3 477.698 3.263 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(c3c(F)cccc3OC)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305520047 1068771320 /nfs/dbraw/zinc/77/13/20/1068771320.db2.gz BBHHXQOIZALVID-HXUWFJFHSA-N 0 3 487.668 3.292 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(c3ccccc3F)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305527583 1068781330 /nfs/dbraw/zinc/78/13/30/1068781330.db2.gz QGAHSQKDJPNSFV-FQEVSTJZSA-N 0 3 457.642 3.283 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C3CCOCC3)CC2)n1Cc1ccccc1OCCOC ZINC001305529602 1068784370 /nfs/dbraw/zinc/78/43/70/1068784370.db2.gz DVXPUJVWXUPFBA-HXUWFJFHSA-N 0 3 457.619 3.166 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C3CCOCC3)CC2)n1CCCn1cc(Br)cn1 ZINC001305531726 1068788388 /nfs/dbraw/zinc/78/83/88/1068788388.db2.gz XGOZHMNKFFQKQR-QGZVFWFLSA-N 0 3 480.455 3.142 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CCCN(C)CC(F)(F)F ZINC001305532407 1068789629 /nfs/dbraw/zinc/78/96/29/1068789629.db2.gz BFXRFAPHKTVSOV-QZTJIDSGSA-N 0 3 460.589 3.365 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C[C@@H]3CCCO3)CC2)n1C[C@H](c1cccc(OC)c1)N(C)C ZINC001305540743 1068810115 /nfs/dbraw/zinc/81/01/15/1068810115.db2.gz FFXWKRSHVGKDNG-NKKJXINNSA-N 0 3 470.662 3.404 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C[C@H]3CCCO3)CC2)n1C[C@H](c1cccc(OC)c1)N(C)C ZINC001305540746 1068810716 /nfs/dbraw/zinc/81/07/16/1068810716.db2.gz FFXWKRSHVGKDNG-TUACAJSNSA-N 0 3 470.662 3.404 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(CC3CCOCC3)CC2)n1CCC(=O)Nc1ccccc1 ZINC001305544554 1068820579 /nfs/dbraw/zinc/82/05/79/1068820579.db2.gz QUDKAEMMZCFVHA-HXUWFJFHSA-N 0 3 454.619 3.369 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCO[C@@H](c3cccc(OC)c3)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305554843 1068833268 /nfs/dbraw/zinc/83/32/68/1068833268.db2.gz MADKYWVKTQIFDZ-NFBKMPQASA-N 0 3 470.662 3.404 20 0 JGADHN CC[C@H](C)c1nnc(N2CCO[C@@H](c3ccc(F)cc3)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001305556266 1068834081 /nfs/dbraw/zinc/83/40/81/1068834081.db2.gz MEGOPNHMZIOVSC-AJSBUHFISA-N 0 3 486.636 3.451 20 0 JGADHN CC[C@H](C)c1nnc(Nc2cnn([C@H]3CC3(F)F)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001305574221 1068847806 /nfs/dbraw/zinc/84/78/06/1068847806.db2.gz QTTHDHRXFDSODH-SZMVWBNQSA-N 0 3 464.565 3.255 20 0 JGADHN CC[C@@H](C)N(C)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCS(=O)(=O)CC1 ZINC001305604142 1068869394 /nfs/dbraw/zinc/86/93/94/1068869394.db2.gz CFHNCXZTRCKBCB-IAGOWNOFSA-N 0 3 465.689 3.097 20 0 JGADHN CC[C@@H](C)N(C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCS(C)(=O)=O ZINC001305607067 1068875302 /nfs/dbraw/zinc/87/53/02/1068875302.db2.gz LIMYNVIKOFAQPG-CQSZACIVSA-N 0 3 462.447 3.463 20 0 JGADHN CC[C@@H](C)[N@H+](C)CCn1c(C2CCCC2)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001305613326 1068888978 /nfs/dbraw/zinc/88/89/78/1068888978.db2.gz FRXMMGSMFNZRGI-LJQANCHMSA-N 0 3 454.619 3.334 20 0 JGADHN CC[C@@H](C)[N@@H+](C)CCn1c(C2CCCC2)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001305613326 1068888989 /nfs/dbraw/zinc/88/89/89/1068888989.db2.gz FRXMMGSMFNZRGI-LJQANCHMSA-N 0 3 454.619 3.334 20 0 JGADHN CC[C@H](C)[N@H+](C)CCn1c(C2CCCC2)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001305613324 1068889219 /nfs/dbraw/zinc/88/92/19/1068889219.db2.gz FRXMMGSMFNZRGI-IBGZPJMESA-N 0 3 454.619 3.334 20 0 JGADHN CC[C@H](C)[N@@H+](C)CCn1c(C2CCCC2)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001305613324 1068889231 /nfs/dbraw/zinc/88/92/31/1068889231.db2.gz FRXMMGSMFNZRGI-IBGZPJMESA-N 0 3 454.619 3.334 20 0 JGADHN CC[C@H](C)N(C)CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC001305616139 1068895095 /nfs/dbraw/zinc/89/50/95/1068895095.db2.gz ZMMSOYGFMBXCMI-OKZBNKHCSA-N 0 3 460.648 3.415 20 0 JGADHN CC[C@H](C)N(C)CCn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1C1(c2ccccc2)CCC1 ZINC001305617979 1068900241 /nfs/dbraw/zinc/90/02/41/1068900241.db2.gz BIEWIGPUSNCRNG-RBBKRZOGSA-N 0 3 473.687 3.492 20 0 JGADHN CC[C@H](C)N(C)CCn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1C1(c2ccccc2)CCC1 ZINC001305617982 1068900349 /nfs/dbraw/zinc/90/03/49/1068900349.db2.gz BIEWIGPUSNCRNG-UNMCSNQZSA-N 0 3 473.687 3.492 20 0 JGADHN CC[C@@H](C)N(C)CCn1c(Cn2ccc3ccccc32)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC001305618423 1068901149 /nfs/dbraw/zinc/90/11/49/1068901149.db2.gz FRELMMQVSGAXDC-TZIWHRDSSA-N 0 3 472.659 3.025 20 0 JGADHN CC[C@H](C)N(C)CCn1c(COc2ccccc2F)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001305621102 1068907593 /nfs/dbraw/zinc/90/75/93/1068907593.db2.gz LPNMHUHZWZNXSH-OALUTQOASA-N 0 3 481.638 3.130 20 0 JGADHN CC[C@H](C)N(C)CCn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1C1(c2ccccc2)CCC1 ZINC001305624166 1068916636 /nfs/dbraw/zinc/91/66/36/1068916636.db2.gz ZXFJQDMUMJBCGN-FPOVZHCZSA-N 0 3 459.660 3.102 20 0 JGADHN CC[C@@H](C)NC(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(C2Cc3ccccc3C2)CC1 ZINC001305625409 1068920345 /nfs/dbraw/zinc/92/03/45/1068920345.db2.gz KSZHITFXFQZPTB-VQTJNVASSA-N 0 3 452.647 3.386 20 0 JGADHN CC[C@H](C)NC(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001305626632 1068924224 /nfs/dbraw/zinc/92/42/24/1068924224.db2.gz BXIRCWRFGODOHD-OTWHNJEPSA-N 0 3 472.634 3.186 20 0 JGADHN CC[C@@H](C)NC(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001305631586 1068937508 /nfs/dbraw/zinc/93/75/08/1068937508.db2.gz JKTWVRAZQADHKB-LJQANCHMSA-N 0 3 489.064 3.452 20 0 JGADHN CC[C@H](C)NC(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C2CCCC2)CC1 ZINC001305633008 1068940640 /nfs/dbraw/zinc/94/06/40/1068940640.db2.gz XCZLXBSOQJXNIJ-IBGZPJMESA-N 0 3 484.645 3.332 20 0 JGADHN CC[C@@H](c1nnc(N(C)C[C@@H]2CCN(C(C)=O)C2)n1CCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001305652715 1068991360 /nfs/dbraw/zinc/99/13/60/1068991360.db2.gz DZRSDRCNMQAVAI-UKILVPOCSA-N 0 3 495.716 3.151 20 0 JGADHN CC[C@@H](c1nnc(N2C[C@H](C)O[C@@H](C)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC001305659495 1068999715 /nfs/dbraw/zinc/99/97/15/1068999715.db2.gz IXAGUCHFDHFGMF-ZQRMPTRQSA-N 0 3 482.673 3.376 20 0 JGADHN CC[C@@H](c1nnc(N2CC[C@H](N3CCN(CC)CC3)C2)n1C[C@@H](F)COC)c1ccccc1 ZINC001305668206 1069011449 /nfs/dbraw/zinc/01/14/49/1069011449.db2.gz UOHSOLQEQBVNPW-XPWALMASSA-N 0 3 458.626 3.021 20 0 JGADHN CC[C@@H](c1nnc(N2CCN(C3CCOCC3)CC2)n1CCC(=O)NC(C)(C)C)c1ccccc1 ZINC001305677266 1069032575 /nfs/dbraw/zinc/03/25/75/1069032575.db2.gz XGZSDUQQNZISMG-HSZRJFAPSA-N 0 3 482.673 3.426 20 0 JGADHN CC[C@H](c1nnc(N2CCN(C3CCOCC3)CC2)n1CCC(=O)NC(C)(C)C)c1ccccc1 ZINC001305677269 1069033148 /nfs/dbraw/zinc/03/31/48/1069033148.db2.gz XGZSDUQQNZISMG-QHCPKHFHSA-N 0 3 482.673 3.426 20 0 JGADHN CC[C@@H](c1nnc(N2CCN(CC3CCOCC3)CC2)n1CC(C)(C)C(=O)NC)c1ccccc1 ZINC001305678638 1069035711 /nfs/dbraw/zinc/03/57/11/1069035711.db2.gz UBWBOUZHHICXCZ-HSZRJFAPSA-N 0 3 482.673 3.141 20 0 JGADHN CC[C@H](c1nnc(Nc2ccn(C)n2)n1CCCN1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC001305681855 1069040270 /nfs/dbraw/zinc/04/02/70/1069040270.db2.gz DRGWDSCZUNUARZ-LEWJYISDSA-N 0 3 464.618 3.240 20 0 JGADHN CC[C@@H](c1nnc(Nc2ccn(C)n2)n1CCCN1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC001305681856 1069040417 /nfs/dbraw/zinc/04/04/17/1069040417.db2.gz DRGWDSCZUNUARZ-NHCUHLMSSA-N 0 3 464.618 3.240 20 0 JGADHN CCC(CC)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)N(C)C ZINC001305707167 1069098048 /nfs/dbraw/zinc/09/80/48/1069098048.db2.gz QCWDBPXQHLTUBR-QUCCMNQESA-N 0 3 450.653 3.043 20 0 JGADHN CCC(CC)[C@@H](Cn1c(-c2ccccc2OC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)N(C)C ZINC001305707772 1069098590 /nfs/dbraw/zinc/09/85/90/1069098590.db2.gz GEAKQDSJTIRIQD-BWKNWUBXSA-N 0 3 489.686 3.335 20 0 JGADHN CCC(CC)[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCS(=O)(=O)CC1)N(C)C ZINC001305711925 1069111586 /nfs/dbraw/zinc/11/15/86/1069111586.db2.gz ODSXGLSSHRRNLQ-HXUWFJFHSA-N 0 3 468.067 3.124 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[C@H](C)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305720777 1069129659 /nfs/dbraw/zinc/12/96/59/1069129659.db2.gz RWSYHCPEVOHQNZ-PZJWPPBQSA-N 0 3 461.699 3.237 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N(C)Cc2c(C)nn(C)c2C)n1CCN1CCCC(C)(C)C1 ZINC001305723068 1069135711 /nfs/dbraw/zinc/13/57/11/1069135711.db2.gz JICOONDVSIJRRR-UHFFFAOYSA-N 0 3 472.682 3.305 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2F)n1C[C@@]1(N(C)C)CCSC1 ZINC001305726658 1069144034 /nfs/dbraw/zinc/14/40/34/1069144034.db2.gz ROTDMXJXLRYSJD-QHCPKHFHSA-N 0 3 462.639 3.409 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)n1CCCC(C)C ZINC001305735465 1069156534 /nfs/dbraw/zinc/15/65/34/1069156534.db2.gz HQMUZIDKYZRRKN-OFNKIYASSA-N 0 3 489.709 3.012 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)N(CC)C[C@@H]2C)n1Cc1nc2cc(OC)ccc2n1C ZINC001305738889 1069165103 /nfs/dbraw/zinc/16/51/03/1069165103.db2.gz MZTXHEPBARCRHH-MSOLQXFVSA-N 0 3 496.660 3.059 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CCN1CCCC1 ZINC001305742901 1069178069 /nfs/dbraw/zinc/17/80/69/1069178069.db2.gz CLEATMLRRYFFRT-MOPGFXCFSA-N 0 3 491.681 3.032 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001305743734 1069180638 /nfs/dbraw/zinc/18/06/38/1069180638.db2.gz YEHUYIOBFLYMDM-RBUKOAKNSA-N 0 3 498.676 3.257 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC(CC(=O)N(C)C)CC2)n1C[C@@H]1N(C)CCCC1(C)C ZINC001305752805 1069200385 /nfs/dbraw/zinc/20/03/85/1069200385.db2.gz KNNSKALMPXDXKX-NRFANRHFSA-N 0 3 489.709 3.012 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCc3oncc3C2)n1C[C@@H](c1ccc(C)cc1)N(C)C ZINC001305758855 1069219413 /nfs/dbraw/zinc/21/94/13/1069219413.db2.gz IWVVJOKSSIHRSK-NRFANRHFSA-N 0 3 465.602 3.359 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC(O)(c3ccccc3)CC2)n1CCN1CCC[C@@H](C)C1 ZINC001305759460 1069221456 /nfs/dbraw/zinc/22/14/56/1069221456.db2.gz RMPIDLQEKKFLNX-OAQYLSRUSA-N 0 3 482.673 3.416 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3CCCC[C@@H]3C2)n1C[C@H]1CCCN1CCCO ZINC001305761655 1069228926 /nfs/dbraw/zinc/22/89/26/1069228926.db2.gz CFUQOYBARPPAMM-TUNNFDKTSA-N 0 3 460.667 3.060 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](C(=O)OC)C2)n1C[C@@H]1CCCN1Cc1ccccc1 ZINC001305765670 1069236732 /nfs/dbraw/zinc/23/67/32/1069236732.db2.gz WPUSLVIKGCGAJQ-GMAHTHKFSA-N 0 3 496.656 3.251 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](c3nc(C)no3)C2)n1C[C@H]1N(C)CCCC1(C)C ZINC001305767856 1069239924 /nfs/dbraw/zinc/23/99/24/1069239924.db2.gz JAYUSTFCXLIOLF-AZUAARDMSA-N 0 3 486.665 3.392 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2Cc2ccccc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305775056 1069257251 /nfs/dbraw/zinc/25/72/51/1069257251.db2.gz IVACRQFVURIYMF-XMMPIXPASA-N 0 3 495.716 3.434 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@H]2c2cnn(C)c2)n1CCN1CCC[C@H](C)C1 ZINC001305776308 1069259931 /nfs/dbraw/zinc/25/99/31/1069259931.db2.gz SVDAEOMZGRPHOX-RXVVDRJESA-N 0 3 456.639 3.003 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001305779255 1069268599 /nfs/dbraw/zinc/26/85/99/1069268599.db2.gz LSQYTWCEYIDNOX-QGZVFWFLSA-N 0 3 487.615 3.001 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1CC[C@H](OC)C(F)(F)F ZINC001305781088 1069272684 /nfs/dbraw/zinc/27/26/84/1069272684.db2.gz XFRFOOGGEDAHKS-INIZCTEOSA-N 0 3 462.561 3.084 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(CC3CCOCC3)CC2)n1CC1CC(C)(C)C1 ZINC001305786807 1069291157 /nfs/dbraw/zinc/29/11/57/1069291157.db2.gz AQXQHYDSMJMHGX-UHFFFAOYSA-N 0 3 460.667 3.181 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN3CCCC[C@@H]3C2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001305787453 1069293950 /nfs/dbraw/zinc/29/39/50/1069293950.db2.gz AFXCTEKMLMCAJT-DHIUTWEWSA-N 0 3 485.652 3.313 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCO[C@](C)(CC)C2)n1CC(C)(C)N1CCC(OC)CC1 ZINC001305789270 1069299135 /nfs/dbraw/zinc/29/91/35/1069299135.db2.gz CUSKEYNVFUUQBX-RUZDIDTESA-N 0 3 478.682 3.091 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3ccco3)C2)n1C[C@@H]1N(C)CCCC1(C)C ZINC001305792351 1069306112 /nfs/dbraw/zinc/30/61/12/1069306112.db2.gz AXNQCZGMUKKPJQ-RTWAWAEBSA-N 0 3 472.634 3.488 20 0 JGADHN CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCC(N2CCC(C(=O)OCC)CC2)CC1 ZINC001164614204 719021170 /nfs/dbraw/zinc/02/11/70/719021170.db2.gz PMBZQBBDBYXKJB-UHFFFAOYSA-N 0 3 474.936 3.096 20 0 JGADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cnc(Cl)c(C(=O)OC)c3)CC2)CC1 ZINC001164614173 719024594 /nfs/dbraw/zinc/02/45/94/719024594.db2.gz OQTRRQUOJFLCCJ-UHFFFAOYSA-N 0 3 459.921 3.310 20 0 JGADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3ccc(C(=O)OC)nc3Cl)CC2)CC1 ZINC001164614424 719026151 /nfs/dbraw/zinc/02/61/51/719026151.db2.gz SLPANMGSMZKHBM-UHFFFAOYSA-N 0 3 459.921 3.310 20 0 JGADHN CNC(=O)CN1CCCC12CCN(c1ccc(-c3ccc(C4OCCCO4)cc3)cn1)CC2 ZINC001164687337 719733794 /nfs/dbraw/zinc/73/37/94/719733794.db2.gz WEKYYCLXVZHDKK-UHFFFAOYSA-N 0 3 450.583 3.365 20 0 JGADHN Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)cc1 ZINC001164726587 720342244 /nfs/dbraw/zinc/34/22/44/720342244.db2.gz PVPPWOSJXFTFSL-XZOQPEGZSA-N 0 3 474.590 3.225 20 0 JGADHN O=S(=O)(Nc1cc(F)ccc1F)c1ccc(N2CCc3ncc(CN4CCCC4)n3CC2)nc1 ZINC001164736345 720587752 /nfs/dbraw/zinc/58/77/52/720587752.db2.gz JPKUECODOPNBIL-UHFFFAOYSA-N 0 3 488.564 3.016 20 0 JGADHN c1ccc(-c2nc(-c3ccccc3)nc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164742666 720686972 /nfs/dbraw/zinc/68/69/72/720686972.db2.gz WHTRCPRFWJNZNC-FCHUYYIVSA-N 0 3 451.534 3.338 20 0 JGADHN Cc1sc2nc(CN3CCCCC3)nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1C ZINC001164745224 720762182 /nfs/dbraw/zinc/76/21/82/720762182.db2.gz UBXKVLACOPNOSD-PMACEKPBSA-N 0 3 479.654 3.426 20 0 JGADHN c1ncc(O[C@H]2C[C@@H]3CN(c4nc(CN5CCCCC5)nc5sc6c(c54)CCC6)CCN3C2)cn1 ZINC001164738609 720763197 /nfs/dbraw/zinc/76/31/97/720763197.db2.gz GIVGRAXOVUMQNG-MOPGFXCFSA-N 0 3 491.665 3.298 20 0 JGADHN c1cc(N2CCCCC2)ccc1-c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nn1 ZINC001164748206 720794166 /nfs/dbraw/zinc/79/41/66/720794166.db2.gz QBSDHMXZJZEDJE-DHIUTWEWSA-N 0 3 457.582 3.266 20 0 JGADHN C[C@@H]1CCCN1C(=O)c1nn(-c2nc(Cl)nc3c2CN(Cc2ccccc2)C3)c2c1CNCC2 ZINC001164849207 720805649 /nfs/dbraw/zinc/80/56/49/720805649.db2.gz RPNMVJDEBGRTIH-MRXNPFEDSA-N 0 3 478.000 3.102 20 0 JGADHN CS(=O)(=O)c1ccc(Cl)nc1N1CC[C@@]2(CN(CC3CC3)C[C@@H]2COCc2cccnc2)C1 ZINC001164749667 720907542 /nfs/dbraw/zinc/90/75/42/720907542.db2.gz IINUOTBVKPKVCQ-HYBUGGRVSA-N 0 3 491.057 3.289 20 0 JGADHN CC(C)CN1[C@H]2CCN(c3cc(CN(C)C)ccn3)CC[C@H]2Oc2ccccc2S1(=O)=O ZINC001164757840 720972434 /nfs/dbraw/zinc/97/24/34/720972434.db2.gz RAMOBUIJMDQPOR-LEWJYISDSA-N 0 3 458.628 3.220 20 0 JGADHN O=C(c1cc(Cl)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c1)N1CCCCC1 ZINC001164867770 721061937 /nfs/dbraw/zinc/06/19/37/721061937.db2.gz KILKPOOYEGGKSL-LEWJYISDSA-N 0 3 455.990 3.236 20 0 JGADHN CN(C)C(=O)c1cc2cnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2n1C1CCCC1 ZINC001164865574 721089094 /nfs/dbraw/zinc/08/90/94/721089094.db2.gz NDKRPLAKXWUCSU-DHIUTWEWSA-N 0 3 489.624 3.123 20 0 JGADHN Cn1cc(CN2CC[C@@H]3CN(c4cc(C(=O)NCc5ccccc5)cc(Cl)n4)C[C@@H]3C2)cn1 ZINC001164760975 721092682 /nfs/dbraw/zinc/09/26/82/721092682.db2.gz AGQXEHAIVLOZOJ-IRLDBZIGSA-N 0 3 465.001 3.357 20 0 JGADHN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc5c(n4)CCN(Cc4ccccc4)C5)C3)O2)CC1 ZINC001164883583 721400714 /nfs/dbraw/zinc/40/07/14/721400714.db2.gz BAJHZCGMGBUQQO-LITSAYRRSA-N 0 3 475.681 3.405 20 0 JGADHN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncnc5c4ccn5Cc4ccccc4)C3)O2)CC1 ZINC001164892961 721417416 /nfs/dbraw/zinc/41/74/16/721417416.db2.gz ZLJFERQSAPTMME-KCWPFWIISA-N 0 3 460.626 3.245 20 0 JGADHN Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc5ccsc5c(N5CCOCC5)n4)CCN3C2)c1 ZINC001164898585 721518949 /nfs/dbraw/zinc/51/89/49/721518949.db2.gz JERNZMWVHGXFFK-MJGOQNOKSA-N 0 3 455.559 3.009 20 0 JGADHN CC[C@@H]1C(=O)N(C)c2cnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2N1C1CCCC1 ZINC001164904081 721533098 /nfs/dbraw/zinc/53/30/98/721533098.db2.gz FDPVJKXLCTUVKT-YMPZKCBVSA-N 0 3 494.615 3.462 20 0 JGADHN COc1cccc(CN2C[C@H]3CCN(c4ncccc4CN4CCCC4)CC[C@H]3S2(=O)=O)c1 ZINC001164805638 721592949 /nfs/dbraw/zinc/59/29/49/721592949.db2.gz LHVMFCCJGOHKFT-ZJSXRUAMSA-N 0 3 470.639 3.117 20 0 JGADHN O=c1ccccn1Cc1ccc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164911830 721727887 /nfs/dbraw/zinc/72/78/87/721727887.db2.gz KVNQLPDYBQNPOV-DEOSSOPVSA-N 0 3 451.521 3.424 20 0 JGADHN CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164962212 722056278 /nfs/dbraw/zinc/05/62/78/722056278.db2.gz BFKUMWUQNCOMFY-UHFFFAOYSA-N 0 3 492.624 3.492 20 0 JGADHN COc1nc(Cl)ncc1C(F)(F)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164963269 722058946 /nfs/dbraw/zinc/05/89/46/722058946.db2.gz UZBBNOSRNMVWTQ-UHFFFAOYSA-N 0 3 453.921 3.198 20 0 JGADHN FC(F)(COc1cncc(Cl)n1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164959973 722060535 /nfs/dbraw/zinc/06/05/35/722060535.db2.gz BCUOBLFKIFDAON-UHFFFAOYSA-N 0 3 453.921 3.111 20 0 JGADHN CCOC(=O)c1sc2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1C ZINC001164983498 722099884 /nfs/dbraw/zinc/09/98/84/722099884.db2.gz QMDXMSCYGMIQJT-RTBURBONSA-N 0 3 467.595 3.299 20 0 JGADHN COC(=O)c1ccc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164981400 722107537 /nfs/dbraw/zinc/10/75/37/722107537.db2.gz LHMDIOMIODMGPP-WMZOPIPTSA-N 0 3 466.916 3.189 20 0 JGADHN COc1cc2nc(Cl)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2cc1OC ZINC001164974911 722110169 /nfs/dbraw/zinc/11/01/69/722110169.db2.gz IVLYOWXKKPPIKS-JTSKRJEESA-N 0 3 469.973 3.423 20 0 JGADHN COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983151 722113425 /nfs/dbraw/zinc/11/34/25/722113425.db2.gz YKAQGVYVQJBOAW-FUHWJXTLSA-N 0 3 466.916 3.189 20 0 JGADHN COc1cc2nc(Cl)c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc2cc1OC ZINC001164980493 722120402 /nfs/dbraw/zinc/12/04/02/722120402.db2.gz RIVKTACOWVBEAT-VGOFRKELSA-N 0 3 469.973 3.423 20 0 JGADHN COc1cc2nc(Cl)c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc2cc1OC ZINC001164980492 722120773 /nfs/dbraw/zinc/12/07/73/722120773.db2.gz RIVKTACOWVBEAT-JTSKRJEESA-N 0 3 469.973 3.423 20 0 JGADHN CCOC(=O)c1cc2c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)[nH]c(C)c(C)c-2n1 ZINC001164980402 722127397 /nfs/dbraw/zinc/12/73/97/722127397.db2.gz QZDAANSHFXQZNL-NZQKXSOJSA-N 0 3 463.582 3.479 20 0 JGADHN O=C(c1cccnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1)N1CCc2ccccc21 ZINC001164978075 722139678 /nfs/dbraw/zinc/13/96/78/722139678.db2.gz JOVVSQOXFCFODX-BVAGGSTKSA-N 0 3 469.589 3.407 20 0 JGADHN COC(=O)c1nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c2ccccc2c1OC ZINC001164976005 722149024 /nfs/dbraw/zinc/14/90/24/722149024.db2.gz GFSMCYXVHUAWQX-KNQAVFIVSA-N 0 3 462.550 3.152 20 0 JGADHN FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164971285 722158772 /nfs/dbraw/zinc/15/87/72/722158772.db2.gz BOXVVNDBWRHWCU-CVEARBPZSA-N 0 3 480.972 3.493 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1C[C@@H](c1ccc(C)cc1)N(C)C ZINC001305797641 1069319019 /nfs/dbraw/zinc/31/90/19/1069319019.db2.gz GNGTWWSYDHEPCC-COPCDDAFSA-N 0 3 456.635 3.015 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1C[C@H](c1ccc(C)cc1)N(C)C ZINC001305802457 1069326242 /nfs/dbraw/zinc/32/62/42/1069326242.db2.gz NOSOVRROUALJGJ-XQBPLPMBSA-N 0 3 456.635 3.421 20 0 JGADHN CC[C@@H](Cn1c(C(C)C)nnc1N1CCN(C2CCOCC2)C[C@H]1C)NC(=O)OC(C)(C)C ZINC001305804014 1069328602 /nfs/dbraw/zinc/32/86/02/1069328602.db2.gz FDILBHSCTBPHOM-MOPGFXCFSA-N 0 3 464.655 3.394 20 0 JGADHN CC[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)N1CCCC1 ZINC001305806672 1069335373 /nfs/dbraw/zinc/33/53/73/1069335373.db2.gz GXTDMFAQKZTYDD-RBUKOAKNSA-N 0 3 496.475 3.205 20 0 JGADHN CC[C@@H](Cn1c(C(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)N1CCc2ccccc2C1 ZINC001305806972 1069335655 /nfs/dbraw/zinc/33/56/55/1069335655.db2.gz RCWCZFDKPBPRQV-QFIPXVFZSA-N 0 3 488.702 3.099 20 0 JGADHN CC[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C2CCOCC2)CC1)OC ZINC001305808486 1069337820 /nfs/dbraw/zinc/33/78/20/1069337820.db2.gz FSWRSSZUTCULSL-LJQANCHMSA-N 0 3 465.545 3.273 20 0 JGADHN CC[C@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1)Oc1ccccc1F ZINC001305809049 1069338894 /nfs/dbraw/zinc/33/88/94/1069338894.db2.gz XQSYTNCGTAKTHQ-CTNGQTDRSA-N 0 3 472.609 3.141 20 0 JGADHN CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C)OC ZINC001305811772 1069342277 /nfs/dbraw/zinc/34/22/77/1069342277.db2.gz RUBQBWZRGVZCQO-HLLBOEOZSA-N 0 3 453.429 3.390 20 0 JGADHN CC[C@@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](S(C)(=O)=O)C1)N1CCCC1 ZINC001305814314 1069345826 /nfs/dbraw/zinc/34/58/26/1069345826.db2.gz DWVRYLGGXBGARP-ZWKOTPCHSA-N 0 3 482.050 3.105 20 0 JGADHN CC[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC)C[C@H]1CCCO1)N1CCCC1 ZINC001305816472 1069350087 /nfs/dbraw/zinc/35/00/87/1069350087.db2.gz SSSRMGCXDPHDAX-NHCUHLMSSA-N 0 3 475.659 3.228 20 0 JGADHN CC[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1)OC ZINC001305839667 1069386094 /nfs/dbraw/zinc/38/60/94/1069386094.db2.gz ZOMHEBGIPGTYNJ-FCHUYYIVSA-N 0 3 461.054 3.164 20 0 JGADHN CC[C@H](Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C)NC(=O)OC(C)(C)C ZINC001305842300 1069391615 /nfs/dbraw/zinc/39/16/15/1069391615.db2.gz OSLCCVXSLYCXGU-SFHLNBCPSA-N 0 3 471.650 3.486 20 0 JGADHN CC[C@@H](Cn1c(N2CCCN(C(C)=O)CC2)nnc1C(C)(C)C)N1CCc2ccccc2C1 ZINC001305849315 1069401063 /nfs/dbraw/zinc/40/10/63/1069401063.db2.gz FUDKLWOSYUVQAZ-QHCPKHFHSA-N 0 3 452.647 3.471 20 0 JGADHN CCc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC(C)(C)OC[C@@H]2C)N(C)C)cc1 ZINC001305917500 1069472034 /nfs/dbraw/zinc/47/20/34/1069472034.db2.gz OYCGBDNEUOSPBE-GHTZIAJQSA-N 0 3 456.635 3.285 20 0 JGADHN CCc1ccc([C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H](C)CC[C@H]2C)N(C)C)cc1 ZINC001305920239 1069475813 /nfs/dbraw/zinc/47/58/13/1069475813.db2.gz XKEXJBVHCYCADD-IWQHBPENSA-N 0 3 476.691 3.378 20 0 JGADHN CCc1ccc([C@H](Cn2c(CC(C)(C)C)nnc2N(C)CC(=O)N2CCOCC2)N(C)C)cc1 ZINC001305918755 1069473645 /nfs/dbraw/zinc/47/36/45/1069473645.db2.gz MBEJPAIXJFUOPG-QFIPXVFZSA-N 0 3 470.662 3.027 20 0 JGADHN CCc1ccc([C@H](Cn2c(CN3CCCC3=O)nnc2N(C)Cc2ncc(Cl)n2C)N(C)C)cc1 ZINC001305920171 1069475313 /nfs/dbraw/zinc/47/53/13/1069475313.db2.gz ROSUKANZSXZWDH-FQEVSTJZSA-N 0 3 499.063 3.289 20 0 JGADHN CCc1ccc([C@@H](Cn2c(Cc3ccccn3)nnc2N(C)Cc2cnn(C)c2)N(C)C)cc1 ZINC001305921144 1069476909 /nfs/dbraw/zinc/47/69/09/1069476909.db2.gz WUUNOMOTKOLFGX-XMMPIXPASA-N 0 3 458.614 3.499 20 0 JGADHN CCc1ccc([C@H](Cn2c([C@H]3CCCO3)nnc2N2C[C@H](COC)O[C@@H](C)C2)N(C)C)cc1 ZINC001305921631 1069477474 /nfs/dbraw/zinc/47/74/74/1069477474.db2.gz VEHUZZGZNVMZMA-OUFMZXHOSA-N 0 3 457.619 3.235 20 0 JGADHN CN(CC(C)(C)C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CCc2ccccc2)C1 ZINC001298230125 1064138684 /nfs/dbraw/zinc/13/86/84/1064138684.db2.gz LJLRCTXDAMBFLX-YADHBBJMSA-N 0 3 473.687 3.227 20 0 JGADHN CN(C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1)c1cccs1 ZINC001298317395 1064193038 /nfs/dbraw/zinc/19/30/38/1064193038.db2.gz SLFMSVOTFUMCOU-QUCCMNQESA-N 0 3 489.667 3.186 20 0 JGADHN CN(C)[C@@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc([S@](C)=O)cc1)c1ccsc1 ZINC001298318846 1064194432 /nfs/dbraw/zinc/19/44/32/1064194432.db2.gz DBIQLTAFKWMISV-VTLMBFNKSA-N 0 3 481.651 3.473 20 0 JGADHN C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)cc1 ZINC001298378617 1064226148 /nfs/dbraw/zinc/22/61/48/1064226148.db2.gz LWKULMREXVMRNH-AVRDEDQJSA-N 0 3 457.596 3.069 20 0 JGADHN O=C(CNC(=O)c1cccc(O)c1)N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001298395558 1064231671 /nfs/dbraw/zinc/23/16/71/1064231671.db2.gz LMHFVRIFHXGLLE-XMMPIXPASA-N 0 3 458.562 3.210 20 0 JGADHN CN(C)[C@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1ncnn1CC(F)F)c1cccc(F)c1 ZINC001298462794 1064264436 /nfs/dbraw/zinc/26/44/36/1064264436.db2.gz WDFQCWABRHCHNZ-LJQANCHMSA-N 0 3 485.518 3.275 20 0 JGADHN CN(C)C1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)C[C@H]2CCCOC2)CCCC1 ZINC001298559189 1064324179 /nfs/dbraw/zinc/32/41/79/1064324179.db2.gz RDDCSPIYKJOTQA-LJQANCHMSA-N 0 3 475.659 3.086 20 0 JGADHN CN(C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CC1COC(C)(C)OC1)c1ccccc1 ZINC001298587589 1064360421 /nfs/dbraw/zinc/36/04/21/1064360421.db2.gz JYTKUKWDPYNWIX-FCHUYYIVSA-N 0 3 457.619 3.310 20 0 JGADHN CN(CCC(F)(F)F)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001298591604 1064365057 /nfs/dbraw/zinc/36/50/57/1064365057.db2.gz HUVFTGVREUZYOL-FQEVSTJZSA-N 0 3 494.562 3.194 20 0 JGADHN CN(CCC(F)(F)F)c1nnc(CN2CCCC2=O)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001298600617 1064375005 /nfs/dbraw/zinc/37/50/05/1064375005.db2.gz ICMYPSVVQGKQMX-FQEVSTJZSA-N 0 3 494.562 3.080 20 0 JGADHN CN(CCc1ccccc1F)c1nnc(CNC(=O)c2cccs2)n1CCN1CC=CCC1 ZINC001298619724 1064390503 /nfs/dbraw/zinc/39/05/03/1064390503.db2.gz XLTSLQCAYAKPOG-UHFFFAOYSA-N 0 3 468.602 3.350 20 0 JGADHN CN(C)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCc1cccs1)c1ccc(F)cc1 ZINC001298623719 1064396098 /nfs/dbraw/zinc/39/60/98/1064396098.db2.gz HBEPPVODSXNGBD-UXHICEINSA-N 0 3 456.591 3.412 20 0 JGADHN CN(C)C1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)CCc2nccs2)CCCC1 ZINC001298630179 1064403653 /nfs/dbraw/zinc/40/36/53/1064403653.db2.gz GTDDHZOVHAPVDC-UHFFFAOYSA-N 0 3 488.683 3.358 20 0 JGADHN CN(CCCn1c(-c2ccccn2)nnc1N1CCN(CC2CC2)CC1)C(=O)OC(C)(C)C ZINC001298670029 1064452404 /nfs/dbraw/zinc/45/24/04/1064452404.db2.gz ORQJWEZQFJGDDV-UHFFFAOYSA-N 0 3 455.607 3.129 20 0 JGADHN CN(CCn1c(-c2cccc(Cl)c2)nnc1N(CCS(C)(=O)=O)C1CC1)C1CCCC1 ZINC001298697761 1064500470 /nfs/dbraw/zinc/50/04/70/1064500470.db2.gz IOHOAFMXQUOKHD-UHFFFAOYSA-N 0 3 466.051 3.486 20 0 JGADHN CN(CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)Cc1ccc(F)cc1 ZINC001298704350 1064506879 /nfs/dbraw/zinc/50/68/79/1064506879.db2.gz OCXHBNAVKXGXGL-UHFFFAOYSA-N 0 3 482.608 3.174 20 0 JGADHN CN(C)C(=O)CC1CCN(c2nnc(-c3cccnc3)n2CCN(C)Cc2ccc(F)cc2)CC1 ZINC001298704831 1064508956 /nfs/dbraw/zinc/50/89/56/1064508956.db2.gz YWQLHVHHJWEKCU-UHFFFAOYSA-N 0 3 479.604 3.306 20 0 JGADHN CN(CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCN(C(C)(C)C)CC1)CC(F)(F)F ZINC001298705832 1064510645 /nfs/dbraw/zinc/51/06/45/1064510645.db2.gz LKLUCPYGUJGSEB-UHFFFAOYSA-N 0 3 492.550 3.009 20 0 JGADHN CN(CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)Cc1ccc(F)cc1 ZINC001298705634 1064510853 /nfs/dbraw/zinc/51/08/53/1064510853.db2.gz IKFRJYDTQBGZRG-NLFFAJNJSA-N 0 3 472.609 3.142 20 0 JGADHN CN(CCn1c(C2CC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1)Cc1ccccc1 ZINC001298706759 1064512891 /nfs/dbraw/zinc/51/28/91/1064512891.db2.gz YWDZYGDGJHUVTG-UHFFFAOYSA-N 0 3 464.536 3.182 20 0 JGADHN CN(CCn1c(CC(C)(C)C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)C1CCCCC1 ZINC001298712298 1064519676 /nfs/dbraw/zinc/51/96/76/1064519676.db2.gz ARRWQLBXXWYVNG-QHCPKHFHSA-N 0 3 451.681 3.146 20 0 JGADHN CN(CCn1c(CCOc2ccccc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)C1CCCC1 ZINC001298717791 1064528969 /nfs/dbraw/zinc/52/89/69/1064528969.db2.gz RRGWRLJPVMIIOR-HSZRJFAPSA-N 0 3 489.686 3.178 20 0 JGADHN CN(CCn1cccn1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1N(C)CCCC1(C)C ZINC001298721161 1064532452 /nfs/dbraw/zinc/53/24/52/1064532452.db2.gz WQRBSMYIGXHMEZ-NRFANRHFSA-N 0 3 499.063 3.315 20 0 JGADHN CC(C)Oc1ccc([C@@H](CNC(=O)[C@]23COC[C@H]2CN(C(=O)OC(C)(C)C)C3)N(C)C)cc1 ZINC001298721308 1064532512 /nfs/dbraw/zinc/53/25/12/1064532512.db2.gz FAYWVIWQRIYEKU-DZRGJMJISA-N 0 3 461.603 3.076 20 0 JGADHN CN(C)[C@H](Cn1c(Cc2cccnc2)nnc1N(C)CCN1CCOC(C)(C)C1)c1ccc(F)cc1 ZINC001298728886 1064543084 /nfs/dbraw/zinc/54/30/84/1064543084.db2.gz CAXFDNOACRDOTH-XMMPIXPASA-N 0 3 495.647 3.253 20 0 JGADHN CN(CCOC(C)(C)C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001298747468 1064558910 /nfs/dbraw/zinc/55/89/10/1064558910.db2.gz CADXQPNVRKZOPU-QHCPKHFHSA-N 0 3 498.672 3.057 20 0 JGADHN Cn1cc(Br)cc1-c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H]1CC=CCO1 ZINC001298801925 1064600166 /nfs/dbraw/zinc/60/01/66/1064600166.db2.gz TWOBHMVGJJIBHI-QGZVFWFLSA-N 0 3 463.424 3.312 20 0 JGADHN Cn1cc(Br)cc1-c1nnc(N2CCN(C(C)(C)C)CC2)n1CCCO[C@H]1CCOC1 ZINC001298801976 1064600682 /nfs/dbraw/zinc/60/06/82/1064600682.db2.gz VBEXHFLXGOVKLE-SFHVURJKSA-N 0 3 495.466 3.162 20 0 JGADHN Cn1cc(Br)cc1-c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H]1CCCO1 ZINC001298802090 1064600772 /nfs/dbraw/zinc/60/07/72/1064600772.db2.gz WIXXMTVHPQQNFP-INIZCTEOSA-N 0 3 451.413 3.146 20 0 JGADHN Cn1cc(Br)cc1-c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H]1CCCO1 ZINC001298802092 1064601335 /nfs/dbraw/zinc/60/13/35/1064601335.db2.gz WIXXMTVHPQQNFP-MRXNPFEDSA-N 0 3 451.413 3.146 20 0 JGADHN CN(CCCN(C)C(=O)[C@H]1CCN(c2ccccc2Br)C1=O)Cc1ccncc1 ZINC001298846699 1064650627 /nfs/dbraw/zinc/65/06/27/1064650627.db2.gz OWBFWRNGACECJS-GOSISDBHSA-N 0 3 459.388 3.178 20 0 JGADHN COc1cccc([C@@H]2[C@@H](C(=O)N(C)CCCN(C)Cc3ccncc3)CC(=O)N2C2CC2)c1 ZINC001298847729 1064652126 /nfs/dbraw/zinc/65/21/26/1064652126.db2.gz WWFIJTUAGDORAH-UKILVPOCSA-N 0 3 450.583 3.123 20 0 JGADHN COc1cccc([C@@H]2[C@H](C(=O)N(C)CCCN(C)Cc3ccncc3)CC(=O)N2C2CC2)c1 ZINC001298847727 1064652150 /nfs/dbraw/zinc/65/21/50/1064652150.db2.gz WWFIJTUAGDORAH-ILBGXUMGSA-N 0 3 450.583 3.123 20 0 JGADHN COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)c(OC)c1 ZINC001298885492 1064691279 /nfs/dbraw/zinc/69/12/79/1064691279.db2.gz GBUMZBLAMDYELQ-CDNPAEQRSA-N 0 3 451.567 3.088 20 0 JGADHN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCN(Cc4ccccc4)[C@@H]3C)CC2)cc1 ZINC001298887770 1064697417 /nfs/dbraw/zinc/69/74/17/1064697417.db2.gz NEDSQQNDJWSIPX-HYBUGGRVSA-N 0 3 455.624 3.175 20 0 JGADHN C[C@@H]1[C@H](NC(=O)C2=NO[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)CCN1Cc1ccccc1 ZINC001298888249 1064697984 /nfs/dbraw/zinc/69/79/84/1064697984.db2.gz NZHRJHODLXPSEX-RQBNJVACSA-N 0 3 456.587 3.312 20 0 JGADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2c(F)cccc2OC(F)F)CC1 ZINC001298889732 1064699304 /nfs/dbraw/zinc/69/93/04/1064699304.db2.gz VNAWDVSPWFFMDX-SFHVURJKSA-N 0 3 494.562 3.107 20 0 JGADHN C[C@H]1[C@H](NC(=O)COc2ccc(I)cc2)CCN1Cc1ccccc1 ZINC001298890772 1064700865 /nfs/dbraw/zinc/70/08/65/1064700865.db2.gz YNKCOBSNGXSURN-HNAYVOBHSA-N 0 3 450.320 3.449 20 0 JGADHN CN1CCN(CCn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1(C)C ZINC001298895705 1064702733 /nfs/dbraw/zinc/70/27/33/1064702733.db2.gz CRWHQKBCGOVHQH-LJQANCHMSA-N 0 3 476.069 3.271 20 0 JGADHN CC(C)Cc1ccc([C@@H](CNC(=O)c2c(I)cnn2C)N(C)C)cc1 ZINC001298902024 1064706021 /nfs/dbraw/zinc/70/60/21/1064706021.db2.gz ZQJQJIJPOZIMEU-QGZVFWFLSA-N 0 3 454.356 3.256 20 0 JGADHN CNC(=O)C(C)(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C2CCCCC2)CC1 ZINC001298947406 1064738882 /nfs/dbraw/zinc/73/88/82/1064738882.db2.gz CWIDTTONLIUHER-UHFFFAOYSA-N 0 3 484.645 3.093 20 0 JGADHN CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(OC)c2)n1C[C@H](c1cccs1)N(C)C ZINC001298964172 1064750816 /nfs/dbraw/zinc/75/08/16/1064750816.db2.gz HRSBCAFYOILDPM-VQIMIIECSA-N 0 3 456.616 3.136 20 0 JGADHN CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(OC)c2)n1C[C@H](c1cccs1)N(C)C ZINC001298964171 1064750993 /nfs/dbraw/zinc/75/09/93/1064750993.db2.gz HRSBCAFYOILDPM-QFBILLFUSA-N 0 3 456.616 3.136 20 0 JGADHN CNC(=O)[C@]1(C)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)N2CCC(C)CC2)C1 ZINC001298999469 1064779135 /nfs/dbraw/zinc/77/91/35/1064779135.db2.gz LHQLLKNJQQOYLS-KDYSTLNUSA-N 0 3 495.672 3.230 20 0 JGADHN CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](c2cccs2)N(C)C)C1 ZINC001299016182 1064799995 /nfs/dbraw/zinc/79/99/95/1064799995.db2.gz UXMOMIURQYUDRU-BVZFJXPGSA-N 0 3 498.653 3.289 20 0 JGADHN CNC(=O)[C@]1(C)CCN(c2nnc(CSc3ccccc3OC)n2CCN2CCCCC2)C1 ZINC001299039700 1064829418 /nfs/dbraw/zinc/82/94/18/1064829418.db2.gz LZZIMKMTKVHWNK-XMMPIXPASA-N 0 3 472.659 3.027 20 0 JGADHN CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCN2CC=CCC2)C1 ZINC001299070720 1064868409 /nfs/dbraw/zinc/86/84/09/1064868409.db2.gz ADJPYENAYVRCPG-IBGZPJMESA-N 0 3 487.446 3.240 20 0 JGADHN CO[C@@]1(C)CCCN(c2nnc(Cn3nc(C)cc3C)n2CCN(C)Cc2ccccc2)C1 ZINC001299771300 1064968842 /nfs/dbraw/zinc/96/88/42/1064968842.db2.gz IDIJMHWJXRUWAI-VWLOTQADSA-N 0 3 451.619 3.277 20 0 JGADHN COC1(C)CN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001299785293 1064982418 /nfs/dbraw/zinc/98/24/18/1064982418.db2.gz FFEZEUNVOKQUKX-UHFFFAOYSA-N 0 3 484.689 3.406 20 0 JGADHN Cc1c(Cl)c(C(=O)N[C@H]2c3ccccc3CC[C@@H]2N2CCCC2)sc1S(N)(=O)=O ZINC001299811594 1065006929 /nfs/dbraw/zinc/00/69/29/1065006929.db2.gz RXSMUAKNJMBKBL-RDJZCZTQSA-N 0 3 454.017 3.239 20 0 JGADHN COC1(Cn2c(N3C[C@H](C)[C@H](N4CCCN(C(C)=O)CC4)C3)nnc2C(C)(C)C)CCCCC1 ZINC001299820002 1065013539 /nfs/dbraw/zinc/01/35/39/1065013539.db2.gz BLGBWMULJVPKRA-RBBKRZOGSA-N 0 3 474.694 3.304 20 0 JGADHN COc1cc(-c2nnc(N3CCC(CN4CCOCC4)CC3)n2CC(C)(C)O)ccc1OC(C)C ZINC001299850831 1065055263 /nfs/dbraw/zinc/05/52/63/1065055263.db2.gz OZIYGCASLBGBJZ-UHFFFAOYSA-N 0 3 487.645 3.060 20 0 JGADHN COc1cc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CCCc2cnn(C)c2)cc(OC)c1OC ZINC001299857991 1065069015 /nfs/dbraw/zinc/06/90/15/1065069015.db2.gz FOADTWVEDVSQRR-UHFFFAOYSA-N 0 3 497.644 3.258 20 0 JGADHN COc1cc(Cl)ccc1-c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CCCN1CCCCC1 ZINC001299895566 1065127279 /nfs/dbraw/zinc/12/72/79/1065127279.db2.gz RDXBTYLJYKJDGP-SFHVURJKSA-N 0 3 482.050 3.106 20 0 JGADHN COc1cc(Cl)ccc1-c1nnc(N(CCS(C)(=O)=O)C2CC2)n1CC1(N(C)C)CCCC1 ZINC001299899132 1065134619 /nfs/dbraw/zinc/13/46/19/1065134619.db2.gz YHUZGGHOKZHUIS-UHFFFAOYSA-N 0 3 496.077 3.495 20 0 JGADHN COc1cc(OC)cc(-c2nnc(N3CCN(C(=O)CN4CCCC4)CC3)n2CCCC(C)C)c1 ZINC001299949358 1065223904 /nfs/dbraw/zinc/22/39/04/1065223904.db2.gz CTXNZZVKEJVBLS-UHFFFAOYSA-N 0 3 484.645 3.143 20 0 JGADHN COc1ccc(C2(Cn3c(C(=O)NC(C)C)nnc3N3CCN(CC(C)C)CC3)CCC2)cc1 ZINC001299990557 1065294546 /nfs/dbraw/zinc/29/45/46/1065294546.db2.gz JGZSXAIZUCHIDA-UHFFFAOYSA-N 0 3 468.646 3.325 20 0 JGADHN COc1ccc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2CC(C)(C)N2CCC[C@H](C)C2)cc1 ZINC001299995606 1065303056 /nfs/dbraw/zinc/30/30/56/1065303056.db2.gz QUPWEJQMJSLNMJ-RBUKOAKNSA-N 0 3 477.675 3.334 20 0 JGADHN COc1ccc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2CC(C)(C)N2CCC[C@@H](C)C2)cc1 ZINC001299995607 1065303237 /nfs/dbraw/zinc/30/32/37/1065303237.db2.gz QUPWEJQMJSLNMJ-RTBURBONSA-N 0 3 477.675 3.334 20 0 JGADHN Cc1ccc(N2CCN(c3nnc(CC(C)(C)C)n3CCCN3CCC[C@@H]3C(=O)N(C)C)CC2)cc1 ZINC001492233059 1065333573 /nfs/dbraw/zinc/33/35/73/1065333573.db2.gz UULWPYDHBXQPJF-XMMPIXPASA-N 0 3 495.716 3.444 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N(C)CC3CCOCC3)n2C[C@@]2(N(C)C)CCSC2)cc1C ZINC001492240485 1065338647 /nfs/dbraw/zinc/33/86/47/1065338647.db2.gz NHIVVDHYFQNXSS-VWLOTQADSA-N 0 3 486.686 3.447 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCN(C4CCCCC4)CC3)n2CCC(=O)N(C)C)cc1C ZINC001492265920 1065359401 /nfs/dbraw/zinc/35/94/01/1065359401.db2.gz HNPILEGDWDHXEP-UHFFFAOYSA-N 0 3 481.645 3.080 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCN(CC(C)C)CC3)n2CCCc2cnn(C)c2)cc1C ZINC001492267168 1065362907 /nfs/dbraw/zinc/36/29/07/1065362907.db2.gz PHJOIERYENUFHI-UHFFFAOYSA-N 0 3 478.645 3.292 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H]3C)n2CCCN2CCC[C@H]2C(=O)N(C)C)cc1C ZINC001492268915 1065364317 /nfs/dbraw/zinc/36/43/17/1065364317.db2.gz ZMIMTSGNZNJBJL-UNMCSNQZSA-N 0 3 481.645 3.079 20 0 JGADHN Cc1ccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCCC2)cc1 ZINC001492318044 1065394104 /nfs/dbraw/zinc/39/41/04/1065394104.db2.gz SNWSVMAJJZOHMR-HXUWFJFHSA-N 0 3 475.659 3.053 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(C(=O)CN4CCCC4)CC3)n2CCCC(F)(F)F)cc1 ZINC001492383408 1065447751 /nfs/dbraw/zinc/44/77/51/1065447751.db2.gz ROVRNXYFWRHJBF-UHFFFAOYSA-N 0 3 494.562 3.252 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(C(C)(C)C)CC3)n2CCCC(=O)N(C)C)cc1C ZINC001492383915 1065449361 /nfs/dbraw/zinc/44/93/61/1065449361.db2.gz ZKWAGOCQEXIBHY-UHFFFAOYSA-N 0 3 456.635 3.263 20 0 JGADHN Cc1ccc(OCCN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN(C(C)C)C2)cc1 ZINC001492421500 1065482002 /nfs/dbraw/zinc/48/20/02/1065482002.db2.gz QPQIDTPBSHRFCH-FGZHOGPDSA-N 0 3 489.686 3.124 20 0 JGADHN Cc1ccc(SCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2CC(C)(C)CN(C)C)cc1 ZINC001492463601 1065511587 /nfs/dbraw/zinc/51/15/87/1065511587.db2.gz UMPVIHPVJBOIJK-FQEVSTJZSA-N 0 3 479.716 3.480 20 0 JGADHN Cc1ccc(SCc2nnc(N3CCSCC3)n2CCN2CCN(C)C(C)(C)C2)cc1 ZINC001492468777 1065516901 /nfs/dbraw/zinc/51/69/01/1065516901.db2.gz OGNIZXSXEQSIEQ-UHFFFAOYSA-N 0 3 460.717 3.458 20 0 JGADHN COCC(C)(C)CCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001300915156 1065715455 /nfs/dbraw/zinc/71/54/55/1065715455.db2.gz SDUUNOFUGXNISZ-HSZRJFAPSA-N 0 3 498.672 3.149 20 0 JGADHN COCC(C)(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001300929402 1065729414 /nfs/dbraw/zinc/72/94/14/1065729414.db2.gz PNSYPZOWVWDTNZ-WOJBJXKFSA-N 0 3 475.609 3.388 20 0 JGADHN COCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001300949746 1065752469 /nfs/dbraw/zinc/75/24/69/1065752469.db2.gz SLLANKCBJQSXGA-UHFFFAOYSA-N 0 3 475.609 3.217 20 0 JGADHN COC[C@H](C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001300981990 1065793782 /nfs/dbraw/zinc/79/37/82/1065793782.db2.gz ZYGREEJENRTEKJ-MOPGFXCFSA-N 0 3 462.038 3.494 20 0 JGADHN COC[C@@H](C)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001300985195 1065796842 /nfs/dbraw/zinc/79/68/42/1065796842.db2.gz PQTZYURFBQFQKD-SFTDATJTSA-N 0 3 457.619 3.138 20 0 JGADHN COC[C@H](F)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001301076214 1065925473 /nfs/dbraw/zinc/92/54/73/1065925473.db2.gz IRBLHHIGMQAPCH-JOCHJYFZSA-N 0 3 475.609 3.007 20 0 JGADHN COC[C@@H](F)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001301076215 1065925572 /nfs/dbraw/zinc/92/55/72/1065925572.db2.gz IRBLHHIGMQAPCH-QFIPXVFZSA-N 0 3 475.609 3.007 20 0 JGADHN COCC1(C)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCCN2CCCO)CC1 ZINC001301078972 1065929259 /nfs/dbraw/zinc/92/92/59/1065929259.db2.gz ZTXMXUMQYUBFBF-HSZRJFAPSA-N 0 3 498.672 3.247 20 0 JGADHN COCc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001301177680 1066009873 /nfs/dbraw/zinc/00/98/73/1066009873.db2.gz HSZDPUIMOHHENQ-UHFFFAOYSA-N 0 3 468.646 3.153 20 0 JGADHN COCC1=CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 ZINC001301179685 1066010788 /nfs/dbraw/zinc/01/07/88/1066010788.db2.gz BLSWPBPCWHFEJH-JOCHJYFZSA-N 0 3 475.597 3.320 20 0 JGADHN COCC1=CCN(c2nnc(Cc3ccccn3)n2CCN(C)Cc2ccc(F)cc2)CC1 ZINC001301194936 1066021843 /nfs/dbraw/zinc/02/18/43/1066021843.db2.gz ATVYBHZIEVKUHN-UHFFFAOYSA-N 0 3 450.562 3.318 20 0 JGADHN COC[C@@H]1CCCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)N(C)Cc2ccccc2)C1 ZINC001301226953 1066046514 /nfs/dbraw/zinc/04/65/14/1066046514.db2.gz DXPBEKVBKPUDOR-FYYLOGMGSA-N 0 3 468.646 3.288 20 0 JGADHN COC[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)N(C)Cc2ccccc2)C1 ZINC001301255875 1066070896 /nfs/dbraw/zinc/07/08/96/1066070896.db2.gz IGLVMHGAAJOYLV-IFMALSPDSA-N 0 3 477.613 3.309 20 0 JGADHN COCC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C(C)C)N2CCCC2)CC1 ZINC001301297837 1066104135 /nfs/dbraw/zinc/10/41/35/1066104135.db2.gz HCTLFITVOZMUOY-HSZRJFAPSA-N 0 3 489.686 3.332 20 0 JGADHN COC[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2cccc(OC)c2)N(C)C)C1 ZINC001301328542 1066121478 /nfs/dbraw/zinc/12/14/78/1066121478.db2.gz JVEVYPMGNNICPC-AUSIDOKSSA-N 0 3 450.587 3.433 20 0 JGADHN COC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCN(C)Cc2ccc(F)cc2)CCO1 ZINC001301369881 1066164442 /nfs/dbraw/zinc/16/44/42/1066164442.db2.gz USBSSFHQROJKBK-HXUWFJFHSA-N 0 3 474.968 3.116 20 0 JGADHN COC[C@@H]1CN(c2nnc(Cc3cccnc3)n2C[C@@H](c2ccc(C)cc2)N(C)C)C[C@H](C)O1 ZINC001301397816 1066178788 /nfs/dbraw/zinc/17/87/88/1066178788.db2.gz VKJOYFRKKNIFAR-OYDLWJJNSA-N 0 3 464.614 3.115 20 0 JGADHN COC[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CCN2CCCCC2)C[C@@H](C)O1 ZINC001301404850 1066187001 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/nfs/dbraw/zinc/30/80/28/1066308028.db2.gz QESXATOBTHHZEM-ZWKOTPCHSA-N 0 3 472.659 3.339 20 0 JGADHN COCC[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC001301502989 1066329391 /nfs/dbraw/zinc/32/93/91/1066329391.db2.gz JAEUKHUYVPFSPE-RBBKRZOGSA-N 0 3 477.613 3.400 20 0 JGADHN COCCCCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001301526953 1066353734 /nfs/dbraw/zinc/35/37/34/1066353734.db2.gz RSBTVMIJDRCNGB-OFVILXPXSA-N 0 3 498.672 3.149 20 0 JGADHN COCCCCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001301526961 1066353842 /nfs/dbraw/zinc/35/38/42/1066353842.db2.gz RSBTVMIJDRCNGB-SQJMNOBHSA-N 0 3 498.672 3.149 20 0 JGADHN COCCCCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001301536985 1066365304 /nfs/dbraw/zinc/36/53/04/1066365304.db2.gz KPNIMNVGTQKWCV-JOCHJYFZSA-N 0 3 455.651 3.070 20 0 JGADHN COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H]3C[C@H]([NH+](C)C)C34CCC4)c2)cc1 ZINC001301549569 1066377701 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CC(=O)N1CCCN([C@@H]2CN(c3nnc(Cc4ccsc4)n3CCCOC(C)C)C[C@H]2C)CC1 ZINC001301707678 1066598161 /nfs/dbraw/zinc/59/81/61/1066598161.db2.gz FAHBHPJWSSKQIR-NFBKMPQASA-N 0 3 488.702 3.124 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(CC(C)(C)C)n3Cc3nc(C)c(C)s3)C[C@H]2C)CC1 ZINC001301707589 1066598215 /nfs/dbraw/zinc/59/82/15/1066598215.db2.gz DIKUQEVNTQWCOF-UTKZUKDTSA-N 0 3 487.718 3.367 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3CCc3sc(C)nc3C)C[C@@H]2C)CC1 ZINC001301707843 1066599310 /nfs/dbraw/zinc/59/93/10/1066599310.db2.gz GFLTVEWYWKUCEB-LAUBAEHRSA-N 0 3 487.718 3.271 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3C[C@@H](C)N(C)c3ccccc3)C[C@@H]2C)CC1 ZINC001301708336 1066600660 /nfs/dbraw/zinc/60/06/60/1066600660.db2.gz LRIMZIFRAKPRAY-SGIRGMQISA-N 0 3 481.689 3.305 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3CCCN(C)c3ccccc3)C[C@@H]2C)CC1 ZINC001301708395 1066600711 /nfs/dbraw/zinc/60/07/11/1066600711.db2.gz MKLPCNDGYXXGOB-WIOPSUGQSA-N 0 3 495.716 3.481 20 0 JGADHN 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ZINC001302674982 1067300788 /nfs/dbraw/zinc/30/07/88/1067300788.db2.gz PUBCZQROWVRABV-UHFFFAOYSA-N 0 3 481.464 3.018 20 0 JGADHN Cc1ccc(C(=O)NCCn2c(N3CCN(C4CCOCC4)C[C@@H]3C)nnc2C(C)(C)C)cc1 ZINC001304268794 1067302874 /nfs/dbraw/zinc/30/28/74/1067302874.db2.gz NDWOQVQZKIUDPU-FQEVSTJZSA-N 0 3 468.646 3.004 20 0 JGADHN Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(CC(C)C)CC3)n2C[C@H]2CCC(=O)N2)c1 ZINC001304274600 1067311676 /nfs/dbraw/zinc/31/16/76/1067311676.db2.gz QBSDEEAASUZNON-OAQYLSRUSA-N 0 3 468.646 3.346 20 0 JGADHN Cc1noc(C)c1CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccc(C)cc1)N(C)C ZINC001304274971 1067311897 /nfs/dbraw/zinc/31/18/97/1067311897.db2.gz OUWGWZDRDZZIKP-SFTDATJTSA-N 0 3 451.575 3.082 20 0 JGADHN CC(C)c1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001302689150 1067313553 /nfs/dbraw/zinc/31/35/53/1067313553.db2.gz IRAMGOQRPKJRST-DEOSSOPVSA-N 0 3 499.679 3.414 20 0 JGADHN Cc1ccc([C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC=C(Br)C2)N(C)C)cc1 ZINC001304275978 1067313816 /nfs/dbraw/zinc/31/38/16/1067313816.db2.gz RDICLZLKEAZINO-MOPGFXCFSA-N 0 3 473.419 3.329 20 0 JGADHN Cc1ccc([C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)N(C)C)cc1 ZINC001304276033 1067314347 /nfs/dbraw/zinc/31/43/47/1067314347.db2.gz RZQROOSOXFLBAN-SWYRRKHMSA-N 0 3 468.646 3.482 20 0 JGADHN Cc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](C3CCOCC3)C2)N(C)C)cc1 ZINC001304276534 1067314799 /nfs/dbraw/zinc/31/47/99/1067314799.db2.gz SIDIEOROUNWPFR-GOTSBHOMSA-N 0 3 468.646 3.281 20 0 JGADHN Cc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(Cn3cccn3)CC2)N(C)C)cc1 ZINC001304276729 1067315068 /nfs/dbraw/zinc/31/50/68/1067315068.db2.gz UNTPCYBMQKXHDP-HSZRJFAPSA-N 0 3 478.645 3.141 20 0 JGADHN Cc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCN(c3cccs3)CC2)N(C)C)cc1 ZINC001304276558 1067315185 /nfs/dbraw/zinc/31/51/85/1067315185.db2.gz SRPIYXJTHQNQLY-OAQYLSRUSA-N 0 3 481.670 3.416 20 0 JGADHN Cc1ccc([C@H](Cn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C(F)(F)F)C2)N(C)C)cc1 ZINC001304277799 1067316859 /nfs/dbraw/zinc/31/68/59/1067316859.db2.gz FXKYWXMVZRYXBD-GBESFXJTSA-N 0 3 453.509 3.161 20 0 JGADHN Cc1ccc([C@H](Cn2c([C@@H]3CCOC3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)N(C)C)cc1 ZINC001304278590 1067318678 /nfs/dbraw/zinc/31/86/78/1067318678.db2.gz NCEFQBSVXAWLFN-TYPHKJRUSA-N 0 3 480.579 3.466 20 0 JGADHN CC(C)c1nnc(N2CCN(CCN(C)Cc3ccccc3)CC2)n1C[C@@H]1CCOC[C@@H]1C ZINC001302697760 1067322964 /nfs/dbraw/zinc/32/29/64/1067322964.db2.gz IDOCMITYHDXDDC-UPVQGACJSA-N 0 3 454.663 3.328 20 0 JGADHN Cc1ccc(C)c(OCc2nnc(N(C)CC3CCOCC3)n2CCN2CCN(C)C(C)(C)C2)c1 ZINC001304283516 1067324674 /nfs/dbraw/zinc/32/46/74/1067324674.db2.gz VDIJNFGGHOBOGU-UHFFFAOYSA-N 0 3 484.689 3.363 20 0 JGADHN Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@H](C)CN2CCCCC2)c1 ZINC001304286547 1067328499 /nfs/dbraw/zinc/32/84/99/1067328499.db2.gz ACGJMYMXOUWGLA-IFMALSPDSA-N 0 3 489.686 3.219 20 0 JGADHN CSC[C@H]1CCCN1c1nnc(CC(C)(C)C)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001302707412 1067329286 /nfs/dbraw/zinc/32/92/86/1067329286.db2.gz QOTURGJOQCHENW-MOPGFXCFSA-N 0 3 450.697 3.141 20 0 JGADHN CC(C)[C@H]1CCCN1c1nnc(Cc2ccsc2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001302743239 1067353104 /nfs/dbraw/zinc/35/31/04/1067353104.db2.gz JYWFZUZWTXKPQH-RTWAWAEBSA-N 0 3 458.676 3.498 20 0 JGADHN Cc1ccc(-c2nnc(N3CCC(N(C)S(C)(=O)=O)CC3)n2C[C@@H](c2ccsc2)N(C)C)o1 ZINC001304314290 1067361564 /nfs/dbraw/zinc/36/15/64/1067361564.db2.gz ONCDNYASVSVYLE-IBGZPJMESA-N 0 3 492.671 3.071 20 0 JGADHN Cc1ccc(-c2nnc(N3CCC(OC(C)C)CC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)o1 ZINC001304314365 1067361834 /nfs/dbraw/zinc/36/18/34/1067361834.db2.gz BCRFCGKEDZZLMS-OAQYLSRUSA-N 0 3 472.634 3.183 20 0 JGADHN CC(C)[C@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccc(F)cc2)N(C)C)CCS1 ZINC001302784716 1067377802 /nfs/dbraw/zinc/37/78/02/1067377802.db2.gz XLXCKYKGXQQHLG-LEWJYISDSA-N 0 3 474.650 3.420 20 0 JGADHN CC(C)C[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cscn1)N(C)C ZINC001302808433 1067396572 /nfs/dbraw/zinc/39/65/72/1067396572.db2.gz PQAUQARXQLHWQP-LJQANCHMSA-N 0 3 476.672 3.418 20 0 JGADHN Cc1ccc(CSCCn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CC(C)C)CC2)cc1 ZINC001304366942 1067406656 /nfs/dbraw/zinc/40/66/56/1067406656.db2.gz LXFQRVHEDQYRTC-OAQYLSRUSA-N 0 3 456.660 3.249 20 0 JGADHN O=C(N[C@H]1CCC[C@H]1N1CCC(O)CC1)c1ccc(Br)c(OC(F)(F)F)c1 ZINC001302835082 1067422443 /nfs/dbraw/zinc/42/24/43/1067422443.db2.gz NPBWEDVMIUTQOL-LSDHHAIUSA-N 0 3 451.283 3.455 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)C[C@@H](C)C3)n2C[C@H]2CCCN2CCCO)cc1C ZINC001304379873 1067425846 /nfs/dbraw/zinc/42/58/46/1067425846.db2.gz VPPDXYWZODAAER-DNVFCKCGSA-N 0 3 468.646 3.476 20 0 JGADHN CC(C)Cc1nnc(N(C)CC(C)(C)CN2CCOCC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC001302839187 1067425797 /nfs/dbraw/zinc/42/57/97/1067425797.db2.gz AZFWDEBHOREQGZ-VXKWHMMOSA-N 0 3 478.726 3.159 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCOC(C)(C)C3)n2C[C@]2(N(C)C)CCSC2)cc1C ZINC001304381853 1067429658 /nfs/dbraw/zinc/42/96/58/1067429658.db2.gz DGNULWMEUDELJR-XMMPIXPASA-N 0 3 472.659 3.200 20 0 JGADHN C[C@@H]1CN(C2CCOCC2)CCN1c1nnc(CC(C)(C)C)n1CCCOC1CCOCC1 ZINC001302865678 1067446697 /nfs/dbraw/zinc/44/66/97/1067446697.db2.gz CGBBXHDDAFYAFB-HXUWFJFHSA-N 0 3 463.667 3.142 20 0 JGADHN CC(C)Cc1nnc(N2CCC(C(=O)c3cccs3)CC2)n1C[C@@H]1CCCN1CCCO ZINC001302872296 1067455056 /nfs/dbraw/zinc/45/50/56/1067455056.db2.gz KUCYQROTPRJAAS-FQEVSTJZSA-N 0 3 459.660 3.484 20 0 JGADHN CC(C)Cc1nnc(N2CCC(CN3CCOCC3)CC2)n1CCC(=O)Nc1ccccc1 ZINC001302892091 1067471666 /nfs/dbraw/zinc/47/16/66/1067471666.db2.gz ALGYFYPUJABUEH-UHFFFAOYSA-N 0 3 454.619 3.054 20 0 JGADHN CC(C)Cc1nnc(N2CCC(CN3CCOCC3)CC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001302893280 1067473917 /nfs/dbraw/zinc/47/39/17/1067473917.db2.gz WMDFVYNQUOJPLC-FQEVSTJZSA-N 0 3 478.682 3.281 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCC(CN4CCOCC4)CC3)n2CCOC(C)C)cc1C ZINC001304409696 1067475722 /nfs/dbraw/zinc/47/57/22/1067475722.db2.gz FHAQSVQURTWAJN-UHFFFAOYSA-N 0 3 471.646 3.448 20 0 JGADHN C[C@H]1CN(C2CCOCC2)CCN1c1nnc(CC(C)(C)C)n1CCOCC(F)(F)C(F)F ZINC001302901809 1067486074 /nfs/dbraw/zinc/48/60/74/1067486074.db2.gz QCWDUKPAUIAELG-INIZCTEOSA-N 0 3 479.563 3.473 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(CC(C)C)CC3)n2CCNC(=O)c2ccco2)cc1C ZINC001304419188 1067493695 /nfs/dbraw/zinc/49/36/95/1067493695.db2.gz MUSCTAZLYSRZPL-UHFFFAOYSA-N 0 3 480.613 3.275 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(CC(C)C)CC3)n2CCCN2CCOC2=O)cc1C ZINC001304419839 1067494867 /nfs/dbraw/zinc/49/48/67/1067494867.db2.gz PTSIBSNJVXTXRW-UHFFFAOYSA-N 0 3 470.618 3.094 20 0 JGADHN CC(C)Cc1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001302928274 1067505822 /nfs/dbraw/zinc/50/58/22/1067505822.db2.gz DNUHEENUUZOXNW-SFTDATJTSA-N 0 3 462.683 3.203 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C(=O)c3ccccc3[O-])CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001302940201 1067514207 /nfs/dbraw/zinc/51/42/07/1067514207.db2.gz WENQXEXPMPQDPX-OAQYLSRUSA-N 0 3 468.646 3.267 20 0 JGADHN Cc1ccc(SCc2nnc(N3CCN(CC(C)C)CC3)n2C[C@]2(C)COCCO2)cc1 ZINC001304438511 1067518365 /nfs/dbraw/zinc/51/83/65/1067518365.db2.gz XVKIXBVKCRWFQW-XMMPIXPASA-N 0 3 459.660 3.462 20 0 JGADHN FC(F)C(F)(F)CN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CC=CCC2)CC1 ZINC001302946039 1067519607 /nfs/dbraw/zinc/51/96/07/1067519607.db2.gz ZQAADZWYDAUNTO-UHFFFAOYSA-N 0 3 487.933 3.278 20 0 JGADHN FC(F)C(F)(F)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CCCC2)CC1 ZINC001302947719 1067520903 /nfs/dbraw/zinc/52/09/03/1067520903.db2.gz HTZVZDZAZVXYSD-MRXNPFEDSA-N 0 3 463.520 3.154 20 0 JGADHN Cc1nc(Cc2nnc(N3CCN(CC(C)C)CC3)n2CCNC(=O)c2cccc(C)c2)cs1 ZINC001304444005 1067526180 /nfs/dbraw/zinc/52/61/80/1067526180.db2.gz ZOBSPAAXRPQHQW-UHFFFAOYSA-N 0 3 481.670 3.150 20 0 JGADHN Cc1nnc(N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)n1C[C@H](c1cccs1)N(C)C ZINC001304447646 1067528952 /nfs/dbraw/zinc/52/89/52/1067528952.db2.gz HDZHARGWDJUBEB-OAQYLSRUSA-N 0 3 481.670 3.328 20 0 JGADHN Cc1cccc(C)c1OCCn1c(CN2CCCC2=O)nnc1N1CCN(C(C)(C)C)CC1 ZINC001304449694 1067530982 /nfs/dbraw/zinc/53/09/82/1067530982.db2.gz PIGOITMBMXTRLR-UHFFFAOYSA-N 0 3 454.619 3.017 20 0 JGADHN Cc1cccc(-c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CC[C@@H](C)N(C)Cc2ccccc2)n1 ZINC001304453471 1067534734 /nfs/dbraw/zinc/53/47/34/1067534734.db2.gz YVAJKXXZFREDRF-IRLDBZIGSA-N 0 3 482.654 3.182 20 0 JGADHN CC(C)Cc1nnc(N2CCN(CC3CC3)CC2)n1Cc1cccnc1OCC(F)(F)F ZINC001302965761 1067535990 /nfs/dbraw/zinc/53/59/90/1067535990.db2.gz VCJXVFHSAWEKJU-UHFFFAOYSA-N 0 3 452.525 3.393 20 0 JGADHN Cc1cccc(-c2nnc(N(CCS(C)(=O)=O)C3CC3)n2CC(C)(C)N2CCC[C@@H](C)C2)n1 ZINC001304463095 1067541379 /nfs/dbraw/zinc/54/13/79/1067541379.db2.gz FVRCPGWFBFJLBZ-GOSISDBHSA-N 0 3 474.675 3.172 20 0 JGADHN Fc1ccccc1Cc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCCOC(F)(F)F ZINC001302977447 1067543063 /nfs/dbraw/zinc/54/30/63/1067543063.db2.gz KQIVOPNDQJKGKM-KRWDZBQOSA-N 0 3 471.499 3.093 20 0 JGADHN Cc1cccc(-c2nnc(N3CCN(C4CCCC4)CC3)n2CCNC(=O)OC(C)(C)C)n1 ZINC001304478484 1067557269 /nfs/dbraw/zinc/55/72/69/1067557269.db2.gz JHFRYCUDUVMQSV-UHFFFAOYSA-N 0 3 455.607 3.238 20 0 JGADHN CC(C)CC[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001303010873 1067565468 /nfs/dbraw/zinc/56/54/68/1067565468.db2.gz YNNNNXNPZQZOSG-DVECYGJZSA-N 0 3 477.053 3.339 20 0 JGADHN Cc1cccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@H](c2cccs2)N(C)C)c1 ZINC001304511050 1067586150 /nfs/dbraw/zinc/58/61/50/1067586150.db2.gz GKQMLGSEKLMLTA-AZUAARDMSA-N 0 3 468.627 3.197 20 0 JGADHN Cc1cccc(OCc2nnc(N3CCN(CCC(C)(C)C)CC3)n2C[C@]2(O)CCO[C@@H]2C)c1 ZINC001304511355 1067586810 /nfs/dbraw/zinc/58/68/10/1067586810.db2.gz ACRQOHMVHXJPNJ-QFQXNSOFSA-N 0 3 471.646 3.264 20 0 JGADHN CC(C)CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCCC1)C1CC1 ZINC001303056992 1067595203 /nfs/dbraw/zinc/59/52/03/1067595203.db2.gz AVSZLYZZQBQCIE-IBGZPJMESA-N 0 3 451.681 3.460 20 0 JGADHN Cc1ccccc1-c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCCCOC(C)C ZINC001304534888 1067605377 /nfs/dbraw/zinc/60/53/77/1067605377.db2.gz JQFDVYPPHQIHPD-HSZRJFAPSA-N 0 3 468.646 3.202 20 0 JGADHN O=C(Nc1ccccn1)c1nnc(N2CCC(Cl)=C(Cl)C2)n1CCN1CCCCC1 ZINC001303078326 1067611675 /nfs/dbraw/zinc/61/16/75/1067611675.db2.gz PPUFVPARJXBCEG-UHFFFAOYSA-N 0 3 450.374 3.311 20 0 JGADHN Cc1ccccc1Cc1nnc(N(C)CCS(C)(=O)=O)n1CC(C)(C)N1CCC[C@H](C)C1 ZINC001304549635 1067618987 /nfs/dbraw/zinc/61/89/87/1067618987.db2.gz QFQNDPYTOJSHKW-IBGZPJMESA-N 0 3 461.676 3.169 20 0 JGADHN Cc1ccccc1N1CCN(c2nnc(C(C)(C)C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001304570214 1067638451 /nfs/dbraw/zinc/63/84/51/1067638451.db2.gz AYGBYAZUFQPZMP-HSZRJFAPSA-N 0 3 481.689 3.153 20 0 JGADHN Cc1ccccc1OCCCN(C)c1nnc([C@H]2CCCOC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001304575296 1067644185 /nfs/dbraw/zinc/64/41/85/1067644185.db2.gz ZDZIINPMOBIUJA-QHCPKHFHSA-N 0 3 484.689 3.412 20 0 JGADHN Cc1ccccc1OCCCN(C)c1nnc([C@@H]2CCCOC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001304575295 1067644253 /nfs/dbraw/zinc/64/42/53/1067644253.db2.gz ZDZIINPMOBIUJA-HSZRJFAPSA-N 0 3 484.689 3.412 20 0 JGADHN Cc1ccccc1OCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCC(C)CC1 ZINC001304578209 1067646458 /nfs/dbraw/zinc/64/64/58/1067646458.db2.gz UHFPZQQLGGUTGE-JOCHJYFZSA-N 0 3 489.686 3.126 20 0 JGADHN CC(C)CCOCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001303118620 1067657130 /nfs/dbraw/zinc/65/71/30/1067657130.db2.gz ZQEDSXZORBTEEA-JOCHJYFZSA-N 0 3 489.064 3.404 20 0 JGADHN OCCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001303150023 1067687790 /nfs/dbraw/zinc/68/77/90/1067687790.db2.gz AIYQPWDFXOYXCL-UHFFFAOYSA-N 0 3 466.001 3.449 20 0 JGADHN CC(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001303161885 1067699183 /nfs/dbraw/zinc/69/91/83/1067699183.db2.gz KIZGKNXIJFVCHU-UHFFFAOYSA-N 0 3 499.063 3.315 20 0 JGADHN CC(C)CN1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)c2cccc(O)c2)C1 ZINC001303176708 1067709647 /nfs/dbraw/zinc/70/96/47/1067709647.db2.gz FGPVSJAFRHVXLK-JAXLGGSGSA-N 0 3 489.686 3.451 20 0 JGADHN CC(C)CN1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)c2cccc(O)c2)C1 ZINC001303176710 1067709759 /nfs/dbraw/zinc/70/97/59/1067709759.db2.gz FGPVSJAFRHVXLK-RZUBCFFCSA-N 0 3 489.686 3.451 20 0 JGADHN CC(C)CN1CCC[C@H](Cn2c(Cc3ccsc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001303178167 1067711013 /nfs/dbraw/zinc/71/10/13/1067711013.db2.gz JRXJAIUIRNUDQW-SFTDATJTSA-N 0 3 479.716 3.312 20 0 JGADHN CC(C)CN1CCC[C@@H](Cn2c(Cc3ccsc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001303178165 1067711183 /nfs/dbraw/zinc/71/11/83/1067711183.db2.gz JRXJAIUIRNUDQW-NHCUHLMSSA-N 0 3 479.716 3.312 20 0 JGADHN CC(C)CN1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCc2cnn(C)c2)CC1 ZINC001303178335 1067711202 /nfs/dbraw/zinc/71/12/02/1067711202.db2.gz LNCFBXYXKQBHEA-UHFFFAOYSA-N 0 3 499.063 3.006 20 0 JGADHN CC(C)CN1CCC[C@H](Cn2c(Cc3ccccn3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001303178838 1067712387 /nfs/dbraw/zinc/71/23/87/1067712387.db2.gz OFJAOZGGBCMUQH-GMAHTHKFSA-N 0 3 488.702 3.035 20 0 JGADHN CC(C)CN1CCC[C@@H](Cn2c(CCc3ccccc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001303179458 1067713615 /nfs/dbraw/zinc/71/36/15/1067713615.db2.gz WFSZEVMIJMGIAX-PKTZIBPZSA-N 0 3 473.687 3.055 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@H]2CCC(=O)N2)CC1 ZINC001303182871 1067714704 /nfs/dbraw/zinc/71/47/04/1067714704.db2.gz FDXXAWQYQWYOQA-MRXNPFEDSA-N 0 3 495.853 3.418 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccccc3Br)n2CCc2cn[nH]c2)CC1 ZINC001303186084 1067721985 /nfs/dbraw/zinc/72/19/85/1067721985.db2.gz WLDCWTWFGQMFIF-UHFFFAOYSA-N 0 3 458.408 3.451 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2cccs2)N(C)C)[C@@H](C)C1=O ZINC001303188044 1067722376 /nfs/dbraw/zinc/72/23/76/1067722376.db2.gz BKMKVPRBFLHPSZ-PKOBYXMFSA-N 0 3 455.632 3.331 20 0 JGADHN Cc1nc([C@@H]2CN(c3nnc(CC(C)C)n3CCN(C)Cc3ccc(F)cc3)CCO2)no1 ZINC001304653978 1067722451 /nfs/dbraw/zinc/72/24/51/1067722451.db2.gz VQDDVWHEJZEOEO-FQEVSTJZSA-N 0 3 457.554 3.017 20 0 JGADHN Cc1nc([C@H]2CN(c3nnc(CC(C)C)n3CCN(C)Cc3ccc(F)cc3)CCO2)no1 ZINC001304653979 1067722472 /nfs/dbraw/zinc/72/24/72/1067722472.db2.gz VQDDVWHEJZEOEO-HXUWFJFHSA-N 0 3 457.554 3.017 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(COC(C)(C)C)c2)CC1 ZINC001303190833 1067725028 /nfs/dbraw/zinc/72/50/28/1067725028.db2.gz OZIGNARYYBAHSD-JOCHJYFZSA-N 0 3 468.646 3.371 20 0 JGADHN Cc1nc(Cc2nnc(N(C)CCN(C)c3ccccc3)n2CCN2CCN(C)C(C)(C)C2)cs1 ZINC001304656885 1067725179 /nfs/dbraw/zinc/72/51/79/1067725179.db2.gz PEOCPUHFHPPVEZ-UHFFFAOYSA-N 0 3 496.729 3.232 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccccc2C(F)(F)F)CC1 ZINC001303191157 1067725325 /nfs/dbraw/zinc/72/53/25/1067725325.db2.gz UYIHXOJAAXSWRQ-IBGZPJMESA-N 0 3 464.536 3.269 20 0 JGADHN CC(C)CN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCSC(C)C)CC1 ZINC001303191378 1067725415 /nfs/dbraw/zinc/72/54/15/1067725415.db2.gz ADIGVZJGCOAWDQ-UHFFFAOYSA-N 0 3 472.707 3.372 20 0 JGADHN O=C(CCCc1nnc(-c2ccc(Cl)cc2Cl)o1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001304659431 1067727468 /nfs/dbraw/zinc/72/74/68/1067727468.db2.gz GUSPVOJMNNLHMT-ZWKOTPCHSA-N 0 3 453.370 3.424 20 0 JGADHN CC(C)CN1CCN(c2nnc(Cc3cccnc3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 ZINC001303196649 1067730788 /nfs/dbraw/zinc/73/07/88/1067730788.db2.gz OHZPVYYLMIZKSI-RUZDIDTESA-N 0 3 452.578 3.089 20 0 JGADHN CC(C)CN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@](C)(O)c2cccs2)CC1 ZINC001303198488 1067733407 /nfs/dbraw/zinc/73/34/07/1067733407.db2.gz CCIHEFOSTNCILF-HSZRJFAPSA-N 0 3 488.683 3.017 20 0 JGADHN Cc1nc(Cc2nnc(N3CCN(C4CCOCC4)C[C@@H]3C)n2CCCOC(C)C)cs1 ZINC001304669669 1067737406 /nfs/dbraw/zinc/73/74/06/1067737406.db2.gz HQYWQEHVCAZIJG-SFHVURJKSA-N 0 3 462.664 3.138 20 0 JGADHN Cc1nc(Cc2nnc(N3CCN(CC4CC4)CC3)n2CC(C)(C)NC(=O)OC(C)(C)C)cs1 ZINC001304674124 1067744576 /nfs/dbraw/zinc/74/45/76/1067744576.db2.gz KNSHKNGGRGYYEJ-UHFFFAOYSA-N 0 3 489.690 3.469 20 0 JGADHN Cc1nc(C[C@@H]2CCCN(c3nnc(CC(C)(C)C)n3CCN3CCN(C)C(C)(C)C3)C2)no1 ZINC001304678016 1067750061 /nfs/dbraw/zinc/75/00/61/1067750061.db2.gz JLRNYKMGKSPANR-FQEVSTJZSA-N 0 3 472.682 3.043 20 0 JGADHN CC(C)COC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001303215349 1067752701 /nfs/dbraw/zinc/75/27/01/1067752701.db2.gz KBUIVKUBHGGTHR-RTBURBONSA-N 0 3 476.647 3.061 20 0 JGADHN CC(C)COc1ccc(Cn2c(N3CCN(C(=O)[C@H]4CCCN4C)CC3)nnc2C(C)(C)C)cc1 ZINC001303222432 1067758874 /nfs/dbraw/zinc/75/88/74/1067758874.db2.gz WGQBHXWNLHPJLC-HSZRJFAPSA-N 0 3 482.673 3.402 20 0 JGADHN CC(C)CSCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001303249195 1067775371 /nfs/dbraw/zinc/77/53/71/1067775371.db2.gz OBCLOHADEBDPTD-JOCHJYFZSA-N 0 3 488.677 3.140 20 0 JGADHN Cc1nccnc1CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001304717564 1067789680 /nfs/dbraw/zinc/78/96/80/1067789680.db2.gz YXDMSZPEJSFNPC-UHFFFAOYSA-N 0 3 473.423 3.297 20 0 JGADHN Cc1nn(C)c(C)c1CN1CCN(c2nnc(C(C)C)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001304725419 1067797519 /nfs/dbraw/zinc/79/75/19/1067797519.db2.gz MEFYHFSLPQYEGA-OAQYLSRUSA-N 0 3 470.691 3.438 20 0 JGADHN CC(C)N(C)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001303274269 1067801608 /nfs/dbraw/zinc/80/16/08/1067801608.db2.gz BNDRKVCIKFFTHS-FQEVSTJZSA-N 0 3 486.642 3.344 20 0 JGADHN CN1CCC[C@H]2[C@H]1CCN2C(=O)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 ZINC001303273178 1067801795 /nfs/dbraw/zinc/80/17/95/1067801795.db2.gz IDBQNHGEBMCLKG-CVEARBPZSA-N 0 3 458.282 3.357 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CCN2CCN(C)C(C)(C)C2)n1 ZINC001304741429 1067817444 /nfs/dbraw/zinc/81/74/44/1067817444.db2.gz VXEVESKKAHANAP-DENIHFKCSA-N 0 3 456.683 3.181 20 0 JGADHN CC(C)N(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CCCCCC[C@H]21)C(C)C ZINC001303298253 1067822606 /nfs/dbraw/zinc/82/26/06/1067822606.db2.gz JVQFWMDYKWHABD-NJDAHSKKSA-N 0 3 451.681 3.458 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N(C)C[C@@H]3CCOC3)n2C[C@@H](c2ccc(F)cc2)N(C)C)n1 ZINC001304744517 1067822730 /nfs/dbraw/zinc/82/27/30/1067822730.db2.gz WTXIJFLTHKJVFG-UGKGYDQZSA-N 0 3 455.582 3.054 20 0 JGADHN CC(C)N1CCC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC(F)(F)F)CC2CC2)C1 ZINC001303303852 1067829984 /nfs/dbraw/zinc/82/99/84/1067829984.db2.gz JUMUAGVASGSELF-MOPGFXCFSA-N 0 3 491.624 3.469 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N3C[C@H](C)OC(C)(C)C3)n2CCN(C)Cc2ccccc2)n1 ZINC001304749981 1067829897 /nfs/dbraw/zinc/82/98/97/1067829897.db2.gz HHDVLCQZMHPAHX-NRFANRHFSA-N 0 3 451.619 3.275 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N3CCC(CCCO)CC3)n2C[C@H](c2cccs2)N(C)C)n1 ZINC001304750800 1067831308 /nfs/dbraw/zinc/83/13/08/1067831308.db2.gz DXGPFAZNXPBSQL-OAQYLSRUSA-N 0 3 471.675 3.493 20 0 JGADHN CC(C)N1CCC[C@@H](Cn2c(C3CCCC3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001303305963 1067834123 /nfs/dbraw/zinc/83/41/23/1067834123.db2.gz XBBFYPXHNYIWAK-TZIWHRDSSA-N 0 3 451.681 3.460 20 0 JGADHN CC(C)N1CCN([C@H]2CCN(c3nnc(C(C)(C)C)n3CCOc3cccc(F)c3)C2)CC1 ZINC001303316478 1067843285 /nfs/dbraw/zinc/84/32/85/1067843285.db2.gz ACSSGQZGOXNKPO-NRFANRHFSA-N 0 3 458.626 3.398 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N3CCN(CC(C)C)CC3)n2C[C@@](C)(O)C2CCCCC2)n1 ZINC001304761681 1067848839 /nfs/dbraw/zinc/84/88/39/1067848839.db2.gz YCBYCIDCHHTTTM-RUZDIDTESA-N 0 3 457.667 3.249 20 0 JGADHN CC(C)N1CCN([C@H]2CCN(c3nnc(CCc4ccccc4)n3CC(F)(F)F)C2)CC1 ZINC001303318491 1067849464 /nfs/dbraw/zinc/84/94/64/1067849464.db2.gz SRHCMWMVXPFTPZ-FQEVSTJZSA-N 0 3 450.553 3.230 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N3CCOC(C)(C)[C@@H]3C)n2C[C@H](c2ccccc2)N(C)C)n1 ZINC001304763035 1067850945 /nfs/dbraw/zinc/85/09/45/1067850945.db2.gz NPGVQTJFRYBEJN-RBBKRZOGSA-N 0 3 451.619 3.446 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C(C)C)C3)n2C[C@@H](c2cccc(F)c2)N(C)C)n1 ZINC001304763704 1067852137 /nfs/dbraw/zinc/85/21/37/1067852137.db2.gz RJSJRVUXXQNOLA-XZOQPEGZSA-N 0 3 469.609 3.443 20 0 JGADHN Cc1cc(C)n(CCCn2c(N3CC[C@@H](N4CCN(C(C)C)CC4)C3)nnc2C(C)(C)C)n1 ZINC001304773075 1067865598 /nfs/dbraw/zinc/86/55/98/1067865598.db2.gz GAFDXGSFHBOJBR-JOCHJYFZSA-N 0 3 456.683 3.084 20 0 JGADHN Cc1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001304812628 1067888611 /nfs/dbraw/zinc/88/86/11/1067888611.db2.gz ZUTMSPXFWRQTIM-WWPVKYPJSA-N 0 3 484.645 3.227 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCC(OC3CCCC3)CC2)n1CCN1CCCC(C)(C)C1 ZINC001303373422 1067904174 /nfs/dbraw/zinc/90/41/74/1067904174.db2.gz QQLKZELBHNSLBN-UHFFFAOYSA-N 0 3 460.667 3.466 20 0 JGADHN Cc1nnc(N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001304867520 1067912294 /nfs/dbraw/zinc/91/22/94/1067912294.db2.gz QZSCLIZHHYBQRF-LEWJYISDSA-N 0 3 494.562 3.126 20 0 JGADHN Cc1noc(C)c1CN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1cccs1)N(C)C ZINC001304885778 1067929691 /nfs/dbraw/zinc/92/96/91/1067929691.db2.gz BOOVISBSTAVQCX-SFHVURJKSA-N 0 3 457.604 3.006 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@H]1CCCc2cccnc21 ZINC001303408952 1067935752 /nfs/dbraw/zinc/93/57/52/1067935752.db2.gz BGJYJLIJJPQEQC-OAQYLSRUSA-N 0 3 467.662 3.490 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCO[C@@H](CCc3ccccc3)C2)n1CCN1CCCC(C)(C)C1 ZINC001303416178 1067944016 /nfs/dbraw/zinc/94/40/16/1067944016.db2.gz MIDFQBFNTYLSGG-QHCPKHFHSA-N 0 3 482.673 3.376 20 0 JGADHN C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccccc2F)n1C[C@@H](c1cccs1)N(C)C ZINC001304907128 1067950836 /nfs/dbraw/zinc/95/08/36/1067950836.db2.gz OMNBXRZMMRNDTE-WMZOPIPTSA-N 0 3 472.590 3.028 20 0 JGADHN C[C@@H]1C[C@H](C)CN(C(C)(C)Cn2c(C3CCCC3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001304911117 1067954582 /nfs/dbraw/zinc/95/45/82/1067954582.db2.gz KNDLHLXBXFSVOV-WSTZPKSXSA-N 0 3 451.681 3.316 20 0 JGADHN CC(C)NC(=O)CN(C)c1nnc(Cc2ccccc2F)n1C[C@H](c1ccco1)N1CCCC1 ZINC001303440729 1067962940 /nfs/dbraw/zinc/96/29/40/1067962940.db2.gz JAQIBKISQSFOGF-OAQYLSRUSA-N 0 3 468.577 3.399 20 0 JGADHN C[C@H](c1ccco1)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1C[C@H](C)C[C@H](C)C1 ZINC001304927080 1067972463 /nfs/dbraw/zinc/97/24/63/1067972463.db2.gz INOQGNHSYFNFKG-WCIQWLHISA-N 0 3 463.648 3.339 20 0 JGADHN C[C@@H]1C[C@@H](C)CN(CCCn2c(COc3ccc(Cl)cc3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001304928330 1067976220 /nfs/dbraw/zinc/97/62/20/1067976220.db2.gz MRMJQIKXUVKXKB-RTBURBONSA-N 0 3 496.077 3.113 20 0 JGADHN CC(C)[C@@H]1CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1C[C@H](C)C[C@H](C)C1 ZINC001304928482 1067976234 /nfs/dbraw/zinc/97/62/34/1067976234.db2.gz OARMKMBQERHZIH-WOZUAGRISA-N 0 3 451.681 3.173 20 0 JGADHN C[C@@H]1C[C@H](c2ccccc2)CN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN(C)C ZINC001304929221 1067977405 /nfs/dbraw/zinc/97/74/05/1067977405.db2.gz BAYPDZKBTXBAGR-GIVPXCGWSA-N 0 3 459.660 3.150 20 0 JGADHN C[C@H]1C[C@H](CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCN(C(C)(C)C)CC2)CCO1 ZINC001304933488 1067982344 /nfs/dbraw/zinc/98/23/44/1067982344.db2.gz SQMKLSODUAZKEX-VQTJNVASSA-N 0 3 489.686 3.474 20 0 JGADHN C[C@@H]1C[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCN(C(C)(C)C)CC2)C[C@H](C)O1 ZINC001304936056 1067984763 /nfs/dbraw/zinc/98/47/63/1067984763.db2.gz UEXQIWWNJWRBAY-ACDBMABISA-N 0 3 489.686 3.473 20 0 JGADHN CC(C)O[C@@]1(c2nnc(N3CCC(C(=O)c4ccccc4)CC3)n2C[C@H](C)N(C)C)CCOC1 ZINC001303490393 1068015459 /nfs/dbraw/zinc/01/54/59/1068015459.db2.gz SUTKTNUZWMBMKX-FNZWTVRRSA-N 0 3 469.630 3.368 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCN(C3CCC(C)CC3)CC2)n1C[C@@](C)(O)c1cccs1 ZINC001304978544 1068017296 /nfs/dbraw/zinc/01/72/96/1068017296.db2.gz DQSUBXMPUUPVBN-RGELYXPASA-N 0 3 474.675 3.086 20 0 JGADHN CC(C)N(C)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001304981185 1068021162 /nfs/dbraw/zinc/02/11/62/1068021162.db2.gz NOSUXBSHSNTSRS-WMZOPIPTSA-N 0 3 465.689 3.095 20 0 JGADHN C[C@@H](CS(C)(=O)=O)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC001304983090 1068024864 /nfs/dbraw/zinc/02/48/64/1068024864.db2.gz CRHCUUYHJLBNNQ-IMWIBFENSA-N 0 3 479.666 3.388 20 0 JGADHN CC(C)O[C@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@H](C)c2nccs2)CCOC1 ZINC001303502082 1068031229 /nfs/dbraw/zinc/03/12/29/1068031229.db2.gz LBUZUPQVWXGYEM-WZONZLPQSA-N 0 3 462.664 3.499 20 0 JGADHN CC(C)O[C@@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CCOC1 ZINC001303502405 1068032271 /nfs/dbraw/zinc/03/22/71/1068032271.db2.gz NPTSFMNBFGEDGW-CLOONOSVSA-N 0 3 494.681 3.152 20 0 JGADHN CC(C)O[C@@]1(c2nnc(N3CCSCC3)n2C[C@@H](c2cccs2)N(C)C)CCOC1 ZINC001303511421 1068046900 /nfs/dbraw/zinc/04/69/00/1068046900.db2.gz TZODIADRVGLKFC-UWJYYQICSA-N 0 3 451.662 3.236 20 0 JGADHN C[C@@H]1CCCCN1C[C@H]1CCCN(c2nnc(Cc3ccsc3)n2CCS(C)(=O)=O)C1 ZINC001305014336 1068055606 /nfs/dbraw/zinc/05/56/06/1068055606.db2.gz RLVFSYDRNIJXBF-UYAOXDASSA-N 0 3 465.689 3.066 20 0 JGADHN C[C@H]1CCCCN1CCCn1c(CCOc2ccccc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001305019597 1068066377 /nfs/dbraw/zinc/06/63/77/1068066377.db2.gz LFSCUAMFZPEIPH-GMAHTHKFSA-N 0 3 489.686 3.178 20 0 JGADHN C[C@@H]1CCCCN1CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cnccn1 ZINC001305019757 1068066900 /nfs/dbraw/zinc/06/69/00/1068066900.db2.gz RUXAGDIWEHZEHG-LJQANCHMSA-N 0 3 483.642 3.040 20 0 JGADHN CC(C)OCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001303548153 1068074964 /nfs/dbraw/zinc/07/49/64/1068074964.db2.gz FAOJKKFWGJNPHC-NRFANRHFSA-N 0 3 475.037 3.156 20 0 JGADHN C[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)N1CCC[C@@H](C)C1 ZINC001305023971 1068077627 /nfs/dbraw/zinc/07/76/27/1068077627.db2.gz JKISXKVZTINDNT-FUHIMQAGSA-N 0 3 466.051 3.342 20 0 JGADHN CC(C)OCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001303566738 1068089439 /nfs/dbraw/zinc/08/94/39/1068089439.db2.gz JENHPNOZRAMUFO-DHIUTWEWSA-N 0 3 487.693 3.419 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCC[C@H](c3noc(C(C)C)n3)C2)n1CCN1CCC[C@H](C)C1 ZINC001305043698 1068100140 /nfs/dbraw/zinc/10/01/40/1068100140.db2.gz SKTOQCXUOLWKHA-OALUTQOASA-N 0 3 472.638 3.039 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCC[C@@H](c3noc(C(C)C)n3)C2)n1CCN1CCC[C@@H](C)C1 ZINC001305043701 1068100162 /nfs/dbraw/zinc/10/01/62/1068100162.db2.gz SKTOQCXUOLWKHA-RTBURBONSA-N 0 3 472.638 3.039 20 0 JGADHN CC(C)NC(=O)c1nnc(N2Cc3ccc(Br)cc3C2)n1CCN1CCC[C@@H](C)C1 ZINC001305043599 1068100299 /nfs/dbraw/zinc/10/02/99/1068100299.db2.gz REYIPIOXWAKAIR-MRXNPFEDSA-N 0 3 475.435 3.431 20 0 JGADHN C[C@@H]1CCCN(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@H](C(F)(F)F)C2)C1 ZINC001305043693 1068100315 /nfs/dbraw/zinc/10/03/15/1068100315.db2.gz SKFWKQCFVUIRFN-SJORKVTESA-N 0 3 465.524 3.436 20 0 JGADHN C[C@H]1CCCN1CCn1c(C(=O)Nc2ccccn2)nnc1N(C)CCc1ccccc1F ZINC001305058176 1068120355 /nfs/dbraw/zinc/12/03/55/1068120355.db2.gz FSKXZFKXIYLLEQ-SFHVURJKSA-N 0 3 451.550 3.228 20 0 JGADHN C[C@@H]1CCCN1CCn1c(C(=O)N2CCCC2)nnc1N(C)CCOc1ccccc1Cl ZINC001305062130 1068128869 /nfs/dbraw/zinc/12/88/69/1068128869.db2.gz XALXMRRTBJKRBU-GOSISDBHSA-N 0 3 461.010 3.167 20 0 JGADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)CC2)n1C[C@H](c1cccs1)N1CCCC1 ZINC001305070989 1068144572 /nfs/dbraw/zinc/14/45/72/1068144572.db2.gz QYJZRAOIBSYHMK-QZTJIDSGSA-N 0 3 466.677 3.023 20 0 JGADHN CC1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001305070647 1068144760 /nfs/dbraw/zinc/14/47/60/1068144760.db2.gz LXNDQENWVSBJPE-UHFFFAOYSA-N 0 3 488.080 3.124 20 0 JGADHN CN(Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001303614537 1068148673 /nfs/dbraw/zinc/14/86/73/1068148673.db2.gz PSZHARBSXIZXAH-SJORKVTESA-N 0 3 453.484 3.413 20 0 JGADHN CC1CCN(CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001305102320 1068168504 /nfs/dbraw/zinc/16/85/04/1068168504.db2.gz PRQQKSKMVVBJIL-RTBURBONSA-N 0 3 491.624 3.471 20 0 JGADHN CC(C)[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCC(C)CC2)CCO1 ZINC001305105764 1068173644 /nfs/dbraw/zinc/17/36/44/1068173644.db2.gz CZCJDUJMIVQAKH-JOCHJYFZSA-N 0 3 489.064 3.455 20 0 JGADHN C[C@@H]1CCN(c2nnc(COc3ccccc3F)n2CCCN2CCC[C@@H]2C(=O)N(C)C)[C@H]1C ZINC001305107578 1068176795 /nfs/dbraw/zinc/17/67/95/1068176795.db2.gz JRAYLTMAITVVKZ-SVFBPWRDSA-N 0 3 472.609 3.174 20 0 JGADHN C[C@@H](CC(N)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1CCc2ccccc2C1 ZINC001303653254 1068183915 /nfs/dbraw/zinc/18/39/15/1068183915.db2.gz NLDVZXZXQLZFKC-BPUDTRNYSA-N 0 3 482.673 3.345 20 0 JGADHN C[C@H]1CN(C(C)(C)Cn2c(N3CCC[C@@H](CN4CCOCC4)C3)nnc2C(C)(C)C)C[C@H](C)O1 ZINC001305112213 1068185940 /nfs/dbraw/zinc/18/59/40/1068185940.db2.gz KHSIHIKOMMXHPV-FKBYEOEOSA-N 0 3 476.710 3.012 20 0 JGADHN C[C@H](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)(C)C)CC1)c1ccccc1 ZINC001303663000 1068193956 /nfs/dbraw/zinc/19/39/56/1068193956.db2.gz JUAYGMJUPMUGLM-RTBURBONSA-N 0 3 462.664 3.003 20 0 JGADHN C[C@H]1CN(C(C)(C)Cn2c(-c3cccnc3)nnc2N(C)CC(C)(C)CN2CCOCC2)C[C@H](C)O1 ZINC001305115654 1068194329 /nfs/dbraw/zinc/19/43/29/1068194329.db2.gz ZGZHARQYGFPUHS-VXKWHMMOSA-N 0 3 499.704 3.023 20 0 JGADHN C[C@H](CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)N1CCCCC1 ZINC001303665873 1068199445 /nfs/dbraw/zinc/19/94/45/1068199445.db2.gz GSQIEGARRBZFGH-KNQAVFIVSA-N 0 3 493.649 3.274 20 0 JGADHN C[C@H](CCn1c(-c2ccccc2Cl)nnc1N(C)[C@H]1CCS(=O)(=O)C1)N1CCCCC1 ZINC001303666060 1068200153 /nfs/dbraw/zinc/20/01/53/1068200153.db2.gz WMSAQZLHGIWEBK-MSOLQXFVSA-N 0 3 466.051 3.486 20 0 JGADHN C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(Br)cc2Cl)n1CCN1CC=CCC1 ZINC001305120766 1068202599 /nfs/dbraw/zinc/20/25/99/1068202599.db2.gz XFPZYHNYFYZCQX-OAHLLOKOSA-N 0 3 493.837 3.290 20 0 JGADHN C[C@@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001305120728 1068202614 /nfs/dbraw/zinc/20/26/14/1068202614.db2.gz GBCAFRQQQPRVDJ-XMXZMMKCSA-N 0 3 486.636 3.306 20 0 JGADHN C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2N(C)CCCC2(C)C)C[C@@H](C(F)(F)F)O1 ZINC001305123537 1068208256 /nfs/dbraw/zinc/20/82/56/1068208256.db2.gz GVPVOSYFNZVHSS-IKGGRYGDSA-N 0 3 495.550 3.202 20 0 JGADHN C[C@@H](CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@]1(N(C)C)CCSC1)c1ccccc1 ZINC001303674776 1068212869 /nfs/dbraw/zinc/21/28/69/1068212869.db2.gz PPEPHZYWLPEWJJ-YADARESESA-N 0 3 456.660 3.191 20 0 JGADHN C[C@@H](CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(N(C)C)CCSC1)c1nccs1 ZINC001303676534 1068215420 /nfs/dbraw/zinc/21/54/20/1068215420.db2.gz ZBAKUKHPXCGPOV-KSFYIVLOSA-N 0 3 486.671 3.059 20 0 JGADHN CC(C)N1CCC[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCS[C@H](C)C2)C1 ZINC001305141927 1068237433 /nfs/dbraw/zinc/23/74/33/1068237433.db2.gz CAXOETXLMLMFHJ-MOPGFXCFSA-N 0 3 477.700 3.411 20 0 JGADHN C[C@@H](Cn1c(-c2ccccc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1)N(C)C(=O)OC(C)(C)C ZINC001303698689 1068241444 /nfs/dbraw/zinc/24/14/44/1068241444.db2.gz FDAKIHSMZNNVFC-SFTDATJTSA-N 0 3 484.645 3.359 20 0 JGADHN CC(C)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS[C@H](C)C1)N1CCCC1 ZINC001305144661 1068244954 /nfs/dbraw/zinc/24/49/54/1068244954.db2.gz RAOFSFDNYHYACF-NQIIRXRSSA-N 0 3 477.700 3.411 20 0 JGADHN C[C@@H]1CN(c2nnc(-c3ccccc3F)n2CCN2CCN(C)C(C)(C)C2)CCN1CC(F)(F)F ZINC001305152695 1068259394 /nfs/dbraw/zinc/25/93/94/1068259394.db2.gz SNKDVBWUJAIZNC-GOSISDBHSA-N 0 3 497.585 3.183 20 0 JGADHN CC(C)N1CCC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)CC(C)(C)C2)C1 ZINC001305183711 1068301683 /nfs/dbraw/zinc/30/16/83/1068301683.db2.gz RMSIDPITESPJDT-ZCNNSNEGSA-N 0 3 451.681 3.173 20 0 JGADHN C[C@H](CN1CCCC1)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F ZINC001303744351 1068304310 /nfs/dbraw/zinc/30/43/10/1068304310.db2.gz HINUXJAISMVTOK-FGTMMUONSA-N 0 3 481.613 3.388 20 0 JGADHN C[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCCO1 ZINC001305187891 1068306886 /nfs/dbraw/zinc/30/68/86/1068306886.db2.gz GBPXLWPNCJDTCY-SIKLNZKXSA-N 0 3 489.064 3.080 20 0 JGADHN C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCCO1 ZINC001305187882 1068307244 /nfs/dbraw/zinc/30/72/44/1068307244.db2.gz GBPXLWPNCJDTCY-DENIHFKCSA-N 0 3 489.064 3.080 20 0 JGADHN C[C@@H](CN1CCCC1)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001303750864 1068310702 /nfs/dbraw/zinc/31/07/02/1068310702.db2.gz CPKHVFSQOQQFCX-FNAHDJPLSA-N 0 3 495.734 3.332 20 0 JGADHN C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCN2CC=CCC2)C[C@H](C(F)(F)F)O1 ZINC001305191751 1068314272 /nfs/dbraw/zinc/31/42/72/1068314272.db2.gz MBVZFRRERAVVCW-VQIMIIECSA-N 0 3 453.484 3.426 20 0 JGADHN C[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)CN1CCCCC1 ZINC001303753624 1068315649 /nfs/dbraw/zinc/31/56/49/1068315649.db2.gz NMYGYWVOMDEOHL-GGAORHGYSA-N 0 3 473.687 3.199 20 0 JGADHN C[C@@H](CNC(=O)OC(C)(C)C)Cn1c(C2CCCC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001303765951 1068337514 /nfs/dbraw/zinc/33/75/14/1068337514.db2.gz NZEFDTUFLTUPHV-VQTJNVASSA-N 0 3 476.666 3.255 20 0 JGADHN C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](c2ccccc2)N(C)C)CCCO1 ZINC001305211873 1068342026 /nfs/dbraw/zinc/34/20/26/1068342026.db2.gz URQMUHNXCKHFJE-UYAOXDASSA-N 0 3 468.627 3.188 20 0 JGADHN C[C@@H](N1CCN(c2nnc(-c3cnccn3)n2C[C@H](c2cccs2)N(C)C)CC1)C(F)(F)F ZINC001303789061 1068371799 /nfs/dbraw/zinc/37/17/99/1068371799.db2.gz QVUNVBMUKBDABO-NVXWUHKLSA-N 0 3 480.564 3.172 20 0 JGADHN C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC001303790371 1068374769 /nfs/dbraw/zinc/37/47/69/1068374769.db2.gz DQOXTPKLKQXGDH-KRWDZBQOSA-N 0 3 454.527 3.372 20 0 JGADHN C[C@@H](N1CCN(c2nnc(Cc3ccccn3)n2CCN(C)Cc2ccccc2)CC1)C(F)(F)F ZINC001303792867 1068377112 /nfs/dbraw/zinc/37/71/12/1068377112.db2.gz MDPCZZHIXUWMMJ-HXUWFJFHSA-N 0 3 487.574 3.469 20 0 JGADHN C[C@H](N1CCN(c2nnc(Cc3ccccn3)n2CCN(C)Cc2ccccc2)CC1)C(F)(F)F ZINC001303792866 1068377188 /nfs/dbraw/zinc/37/71/88/1068377188.db2.gz MDPCZZHIXUWMMJ-FQEVSTJZSA-N 0 3 487.574 3.469 20 0 JGADHN C[C@@H]1N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN(C)C2CCCC2)CCOC1(C)C ZINC001305240090 1068389644 /nfs/dbraw/zinc/38/96/44/1068389644.db2.gz MLSFXBOQCPPELR-SFHVURJKSA-N 0 3 475.659 3.227 20 0 JGADHN C[C@@H]1OCC[C@]1(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(C)(C)C)CC1 ZINC001305246125 1068399237 /nfs/dbraw/zinc/39/92/37/1068399237.db2.gz QSSZVICCBHSADA-NYHFZMIOSA-N 0 3 451.974 3.198 20 0 JGADHN C[C@H]1OCC[C@@]1(O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001305248196 1068404523 /nfs/dbraw/zinc/40/45/23/1068404523.db2.gz BHUVDPGGYAIIRH-KBMIEXCESA-N 0 3 475.609 3.094 20 0 JGADHN C[C@@H]1SCCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CCN(C)C(C)(C)C2)[C@H]1C ZINC001305254926 1068417354 /nfs/dbraw/zinc/41/73/54/1068417354.db2.gz MVFMVKNGUDLQAH-HOTGVXAUSA-N 0 3 496.523 3.392 20 0 JGADHN C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC2CCCC2)n1C[C@H](c1cccs1)N1CCCC1 ZINC001303817853 1068431506 /nfs/dbraw/zinc/43/15/06/1068431506.db2.gz UCENLLVKCUTFOF-PKOBYXMFSA-N 0 3 480.704 3.413 20 0 JGADHN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)[C@H]3CCCC[C@@H]32)n1CCN(C)Cc1ccc(F)cc1 ZINC001303827172 1068445667 /nfs/dbraw/zinc/44/56/67/1068445667.db2.gz OSCOXVZCRXOOMF-HXHBTQRASA-N 0 3 492.665 3.174 20 0 JGADHN CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@@H](c2ccsc2)N(C)C)C1 ZINC001305266858 1068451381 /nfs/dbraw/zinc/45/13/81/1068451381.db2.gz PKTVSSVHFMKQLZ-ICSRJNTNSA-N 0 3 455.632 3.143 20 0 JGADHN CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccccn3)n2CCN(C)Cc2ccc(F)cc2)C1 ZINC001305270873 1068467210 /nfs/dbraw/zinc/46/72/10/1068467210.db2.gz XYJQPWZPFJYZBX-OAQYLSRUSA-N 0 3 465.577 3.106 20 0 JGADHN CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001305276709 1068478293 /nfs/dbraw/zinc/47/82/93/1068478293.db2.gz GMKASXJLLFWZDM-FQEVSTJZSA-N 0 3 484.645 3.141 20 0 JGADHN CC[C@](C)(O)Cn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(CC2CC2)CC1 ZINC001305295090 1068501926 /nfs/dbraw/zinc/50/19/26/1068501926.db2.gz BIZVSECNMNXCNT-QFIPXVFZSA-N 0 3 478.435 3.409 20 0 JGADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1CCc1ccc(Cl)cc1 ZINC001303865384 1068502667 /nfs/dbraw/zinc/50/26/67/1068502667.db2.gz SBTFHQOEHIVLBX-SFHVURJKSA-N 0 3 497.109 3.343 20 0 JGADHN CC[C@@](C)(O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001305308795 1068517484 /nfs/dbraw/zinc/51/74/84/1068517484.db2.gz AQBGTWKGHNDMRB-AREMUKBSSA-N 0 3 471.646 3.184 20 0 JGADHN CC[C@@](C)(O)Cn1c(CCCc2ccccc2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001305315648 1068529678 /nfs/dbraw/zinc/52/96/78/1068529678.db2.gz UAUUEIMHXMPRTJ-AREMUKBSSA-N 0 3 455.647 3.163 20 0 JGADHN CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001305322532 1068541582 /nfs/dbraw/zinc/54/15/82/1068541582.db2.gz OWNCNUQYUIGMHV-FBRPZDKASA-N 0 3 486.661 3.023 20 0 JGADHN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCS(=O)(=O)CC2)n1C[C@H](C1CCCCC1)N(C)C ZINC001303901427 1068544992 /nfs/dbraw/zinc/54/49/92/1068544992.db2.gz JVSASZSGWDJSKS-XMSQKQJNSA-N 0 3 493.649 3.303 20 0 JGADHN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CC(F)(F)F ZINC001303904262 1068548539 /nfs/dbraw/zinc/54/85/39/1068548539.db2.gz WAEIUBVOMAZFPH-HZPDHXFCSA-N 0 3 457.472 3.278 20 0 JGADHN CC[C@@H](C)[C@@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001305327310 1068550820 /nfs/dbraw/zinc/55/08/20/1068550820.db2.gz NPFXPFHPGAZYLT-CLOONOSVSA-N 0 3 489.064 3.140 20 0 JGADHN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CCN1CCCCC1 ZINC001303906584 1068552898 /nfs/dbraw/zinc/55/28/98/1068552898.db2.gz KSLQATWNLUCBKU-ROUUACIJSA-N 0 3 461.010 3.224 20 0 JGADHN CC[C@@H](C)[C@](C)(O)Cn1c(CCOc2ccccc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001305333960 1068563557 /nfs/dbraw/zinc/56/35/57/1068563557.db2.gz KLIAQZLFRRWVTO-VHFRWLAGSA-N 0 3 485.673 3.386 20 0 JGADHN CC[C@H](C)[C@](C)(O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001305335711 1068567064 /nfs/dbraw/zinc/56/70/64/1068567064.db2.gz LXLNDIIKXXWGDL-KIVTUJJHSA-N 0 3 489.734 3.036 20 0 JGADHN C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@H]2C)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001303925962 1068582700 /nfs/dbraw/zinc/58/27/00/1068582700.db2.gz GIVDCULALLFZBF-DYXWJJEUSA-N 0 3 472.609 3.489 20 0 JGADHN CC[C@@H](C)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CCCC2)CC1)OC ZINC001305348152 1068589781 /nfs/dbraw/zinc/58/97/81/1068589781.db2.gz LZBQPFKCLIHJRH-AUSIDOKSSA-N 0 3 489.686 3.474 20 0 JGADHN CC[C@H](C)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1)OC ZINC001305351009 1068594827 /nfs/dbraw/zinc/59/48/27/1068594827.db2.gz SAFAEJJLJWRPLY-ZFMISHDWSA-N 0 3 486.661 3.287 20 0 JGADHN CC[C@H](C)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1)OC ZINC001305351316 1068595311 /nfs/dbraw/zinc/59/53/11/1068595311.db2.gz IYVHVUPZOMAJNM-FJIJXJHWSA-N 0 3 469.678 3.314 20 0 JGADHN C[C@H](Oc1ccccc1F)c1nnc(N2CCS(=O)(=O)CC2)n1CCCN1CCCC[C@H]1C ZINC001303938536 1068597437 /nfs/dbraw/zinc/59/74/37/1068597437.db2.gz TYDNZOGSWRGUKO-MOPGFXCFSA-N 0 3 479.622 3.057 20 0 JGADHN CC[C@@H](C)[C@@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCN(CC(C)C)CC1)OC ZINC001305355456 1068603351 /nfs/dbraw/zinc/60/33/51/1068603351.db2.gz VOWFXXBWYIKNDX-DENIHFKCSA-N 0 3 481.645 3.031 20 0 JGADHN CC[C@H](C)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1C[C@H](c1cccc(OC)c1)N1CCCC1 ZINC001305410821 1068649317 /nfs/dbraw/zinc/64/93/17/1068649317.db2.gz OTGQOXWSGVSCHW-CNNODRBYSA-N 0 3 454.619 3.304 20 0 JGADHN CC[C@H](C)c1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CC1C[C@@H](C)O[C@H](C)C1 ZINC001305412090 1068651326 /nfs/dbraw/zinc/65/13/26/1068651326.db2.gz NTGQRTXGMJBYMZ-RSBOXOOMSA-N 0 3 474.694 3.374 20 0 JGADHN CC[C@H](C)c1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001305412089 1068651360 /nfs/dbraw/zinc/65/13/60/1068651360.db2.gz NTGQRTXGMJBYMZ-PYSZQBSGSA-N 0 3 474.694 3.374 20 0 JGADHN CC[C@H](C)c1nnc(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)n1C[C@@H](c1cccs1)N(C)C ZINC001305412985 1068651965 /nfs/dbraw/zinc/65/19/65/1068651965.db2.gz SBGAMXSJVJOJMI-MPJJRAAHSA-N 0 3 487.718 3.145 20 0 JGADHN CC[C@H](C)c1nnc(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)n1C[C@H](c1cccs1)N(C)C ZINC001305412986 1068651984 /nfs/dbraw/zinc/65/19/84/1068651984.db2.gz SBGAMXSJVJOJMI-SEIRJHJZSA-N 0 3 487.718 3.145 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305429151 1068667878 /nfs/dbraw/zinc/66/78/78/1068667878.db2.gz GISWQUMYRICZTI-VGSWGCGISA-N 0 3 474.616 3.347 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC[C@@H](Oc3ncccc3F)C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001305481969 1068718652 /nfs/dbraw/zinc/71/86/52/1068718652.db2.gz BAABYYJVIJWGSB-PWRODBHTSA-N 0 3 473.641 3.400 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001305488214 1068726112 /nfs/dbraw/zinc/72/61/12/1068726112.db2.gz RKOPOJIACGEQLN-FHWLQOOXSA-N 0 3 460.589 3.365 20 0 JGADHN CC[C@H](C)c1nnc(N2CCCN(C(=O)c3cccc(C)c3)CC2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001305501135 1068735927 /nfs/dbraw/zinc/73/59/27/1068735927.db2.gz NIGWCNYVWWDPPH-ZEQRLZLVSA-N 0 3 495.716 3.479 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1C[C@@H](C)N1CCc2ccccc21 ZINC001305514537 1068760667 /nfs/dbraw/zinc/76/06/67/1068760667.db2.gz PQRVFTMYLVOYHS-FGZHOGPDSA-N 0 3 481.689 3.233 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1C[C@H](C)N1CCc2ccccc21 ZINC001305514539 1068760786 /nfs/dbraw/zinc/76/07/86/1068760786.db2.gz PQRVFTMYLVOYHS-YADHBBJMSA-N 0 3 481.689 3.233 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1Cc1ccccc1-n1ccnc1 ZINC001305515175 1068761968 /nfs/dbraw/zinc/76/19/68/1068761968.db2.gz RZSUUBRNUDBMTE-NRFANRHFSA-N 0 3 478.645 3.016 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1CCOc1ccc(S(C)(=O)=O)cc1 ZINC001305520794 1068773420 /nfs/dbraw/zinc/77/34/20/1068773420.db2.gz VKTQTYRVQDKECN-GOSISDBHSA-N 0 3 463.648 3.195 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(c3cccnn3)CC2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001305528103 1068781748 /nfs/dbraw/zinc/78/17/48/1068781748.db2.gz USHGZLPHXJHCOI-GHTZIAJQSA-N 0 3 452.582 3.350 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C3CCOCC3)CC2)n1CCOCc1ccc(OC)cc1 ZINC001305530189 1068785449 /nfs/dbraw/zinc/78/54/49/1068785449.db2.gz KWWXZAJATLAJTA-HXUWFJFHSA-N 0 3 457.619 3.318 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(c3nccc(OC)n3)CC2)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001305532100 1068788361 /nfs/dbraw/zinc/78/83/61/1068788361.db2.gz HUCPUODPHJRALC-RXVVDRJESA-N 0 3 482.608 3.359 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CCCN(C)CC(F)(F)F ZINC001305532410 1068789491 /nfs/dbraw/zinc/78/94/91/1068789491.db2.gz BFXRFAPHKTVSOV-ZWKOTPCHSA-N 0 3 460.589 3.365 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(CC(C)C)CC2)n1C[C@H]1CN(Cc2ccccc2)CCO1 ZINC001305537114 1068799952 /nfs/dbraw/zinc/79/99/52/1068799952.db2.gz IMFBOVRONPZGFR-ISKFKSNPSA-N 0 3 454.663 3.471 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(CC(=O)N3CCCCC3)CC2)n1CCN(C)Cc1ccccc1 ZINC001305538514 1068804691 /nfs/dbraw/zinc/80/46/91/1068804691.db2.gz XMZOUSYOVXEYPB-QHCPKHFHSA-N 0 3 481.689 3.058 20 0 JGADHN CC[C@H](C)c1nnc(N2CCO[C@H](c3cccc(OC)c3)C2)n1CCCN1CCN(CC)CC1 ZINC001305551727 1068830400 /nfs/dbraw/zinc/83/04/00/1068830400.db2.gz ACKIYIDCCHPKKP-URXFXBBRSA-N 0 3 470.662 3.406 20 0 JGADHN CC[C@H](C)c1nnc(N2CCO[C@@H](c3cccc(OC)c3)C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001305552290 1068830939 /nfs/dbraw/zinc/83/09/39/1068830939.db2.gz CFTSZQJCPKDGSX-YZUZCNPQSA-N 0 3 470.662 3.404 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN3C(=O)OC[C@]3(C)C2)n1C[C@@H](c1cccc(OC)c1)N(C)C ZINC001305551899 1068831111 /nfs/dbraw/zinc/83/11/11/1068831111.db2.gz MSSRWKBFWXVCPW-REIDKSKDSA-N 0 3 456.591 3.134 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1C[C@H](c1cccc(OC)c1)N(C)C ZINC001305551902 1068831313 /nfs/dbraw/zinc/83/13/13/1068831313.db2.gz MSSRWKBFWXVCPW-WPSZSDGUSA-N 0 3 456.591 3.134 20 0 JGADHN CC[C@H](C)N(C)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCS(=O)(=O)CC1 ZINC001305604154 1068869086 /nfs/dbraw/zinc/86/90/86/1068869086.db2.gz CFHNCXZTRCKBCB-SJORKVTESA-N 0 3 465.689 3.097 20 0 JGADHN CC[C@@H](C)N(C)CCn1c(-c2ccccc2Br)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC001305606164 1068872875 /nfs/dbraw/zinc/87/28/75/1068872875.db2.gz LFYFBDSVLSQRGJ-IAGOWNOFSA-N 0 3 498.491 3.451 20 0 JGADHN CC[C@H](C)NC(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(C2Cc3ccccc3C2)CC1 ZINC001305625407 1068920185 /nfs/dbraw/zinc/92/01/85/1068920185.db2.gz KSZHITFXFQZPTB-PMACEKPBSA-N 0 3 452.647 3.386 20 0 JGADHN CC[C@@H](C)NC(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001305630069 1068934146 /nfs/dbraw/zinc/93/41/46/1068934146.db2.gz WCRASYZYZUFPTA-MOPGFXCFSA-N 0 3 475.037 3.062 20 0 JGADHN CC[C@@H](c1nnc(N2C[C@@H](C)N(CC)C[C@@H]2C)n1CCCN1CCOCC1)c1ccccc1 ZINC001305658699 1068998481 /nfs/dbraw/zinc/99/84/81/1068998481.db2.gz FXDKRHUWLZDPNE-AOHZBQACSA-N 0 3 454.663 3.461 20 0 JGADHN CC[C@@H](c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC001305659491 1068999662 /nfs/dbraw/zinc/99/96/62/1068999662.db2.gz IXAGUCHFDHFGMF-CBJLPSGESA-N 0 3 482.673 3.376 20 0 JGADHN CC[C@@H](c1nnc(N2CCC(CO)CC2)n1CCCN1CCN(CC)CC1)c1ccccc1 ZINC001305666283 1069008843 /nfs/dbraw/zinc/00/88/43/1069008843.db2.gz YKZVJSTZYMERMV-XMMPIXPASA-N 0 3 454.663 3.056 20 0 JGADHN CC[C@H](c1nnc(N2CCN(C(C)(C)C)CC2)n1CC1(C(N)=O)CCOCC1)c1ccccc1 ZINC001305670642 1069017345 /nfs/dbraw/zinc/01/73/45/1069017345.db2.gz ASODRAISBGZKSH-NRFANRHFSA-N 0 3 468.646 3.023 20 0 JGADHN CC[C@H](c1nnc(N2CCN(C(=O)C(C)C)CC2)n1CCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001305672140 1069020176 /nfs/dbraw/zinc/02/01/76/1069020176.db2.gz KKZSWNTWSKMYTA-DEOSSOPVSA-N 0 3 495.716 3.151 20 0 JGADHN CC[C@@H](c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1C[C@@H]1CCC[C@H](O)C1)c1ccccc1 ZINC001305673053 1069022048 /nfs/dbraw/zinc/02/20/48/1069022048.db2.gz PJUVMUCVGSJKQV-PZUNEJSGSA-N 0 3 496.700 3.362 20 0 JGADHN CC[C@H](c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CCC(=O)NC(C)C)c1ccccc1 ZINC001305676492 1069030705 /nfs/dbraw/zinc/03/07/05/1069030705.db2.gz SWRNULKDTYQISR-URXFXBBRSA-N 0 3 482.673 3.424 20 0 JGADHN CCC(CC)[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCNC(=O)C1)N1CCOCC1 ZINC001305703321 1069086940 /nfs/dbraw/zinc/08/69/40/1069086940.db2.gz HLJCCSXNISAXIU-HSZRJFAPSA-N 0 3 482.673 3.316 20 0 JGADHN CCC(CC)[C@H](Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](NC(C)=O)C1)N1CCOCC1 ZINC001305707443 1069098620 /nfs/dbraw/zinc/09/86/20/1069098620.db2.gz FSPYPJILMYGDON-NOZRDPDXSA-N 0 3 482.673 3.495 20 0 JGADHN CCC(CC)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CC[C@@](C)(C(N)=O)C1)N1CCOCC1 ZINC001305710344 1069107260 /nfs/dbraw/zinc/10/72/60/1069107260.db2.gz VAVAFZRAXCRWAY-ATIYNZHBSA-N 0 3 468.646 3.092 20 0 JGADHN CCC(CC)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1)[NH+](C)C ZINC001305715358 1069120213 /nfs/dbraw/zinc/12/02/13/1069120213.db2.gz KRLZWPLWJPOMSC-DHIUTWEWSA-N 0 3 484.645 3.164 20 0 JGADHN CCC(CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC)[C@@H](C)C1)N1CCOCC1 ZINC001305715626 1069121084 /nfs/dbraw/zinc/12/10/84/1069121084.db2.gz NGGKDAQJIZIHKH-ACIOBRDBSA-N 0 3 462.683 3.187 20 0 JGADHN CCC(CC)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(C)C)CC1)N1CCOCC1 ZINC001305717112 1069124312 /nfs/dbraw/zinc/12/43/12/1069124312.db2.gz XMVNXCKATIASMM-XZOQPEGZSA-N 0 3 462.683 3.045 20 0 JGADHN CCC(CC)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(C)C)CC1)N1CCOCC1 ZINC001305717109 1069124326 /nfs/dbraw/zinc/12/43/26/1069124326.db2.gz XMVNXCKATIASMM-DHIUTWEWSA-N 0 3 462.683 3.045 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N(C)Cc2nc3ccccc3c(=O)[nH]2)n1CCN1CCC[C@@H](C)C1 ZINC001305724203 1069138752 /nfs/dbraw/zinc/13/87/52/1069138752.db2.gz IYRCERVEVVIFEC-GOSISDBHSA-N 0 3 494.644 3.214 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@@]3(CCOC3)OC(C)(C)C2)n1C[C@@H]1N(C)CCCC1(C)C ZINC001305736050 1069157863 /nfs/dbraw/zinc/15/78/63/1069157863.db2.gz MOARKQQNWCLWJM-RXFWQSSRSA-N 0 3 490.693 3.091 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)N(CC)C[C@H]2C)n1Cc1ccc2c(n1)CCCC2 ZINC001305737258 1069160465 /nfs/dbraw/zinc/16/04/65/1069160465.db2.gz GZWKUEAXVYDYPM-RTBURBONSA-N 0 3 467.662 3.438 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1CCc1ccc2c[nH]nc2c1 ZINC001305738102 1069163025 /nfs/dbraw/zinc/16/30/25/1069163025.db2.gz LCUCGOKOTLYKNV-ROUUACIJSA-N 0 3 466.634 3.234 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)N(CC)C[C@H]2C)n1Cc1nc2cc(OC)ccc2n1C ZINC001305738890 1069165085 /nfs/dbraw/zinc/16/50/85/1069165085.db2.gz MZTXHEPBARCRHH-QZTJIDSGSA-N 0 3 496.660 3.059 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001305743733 1069180609 /nfs/dbraw/zinc/18/06/09/1069180609.db2.gz YEHUYIOBFLYMDM-OALUTQOASA-N 0 3 498.676 3.257 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccco3)C2)n1C[C@]1(N(C)C)CCSC1 ZINC001305752487 1069200418 /nfs/dbraw/zinc/20/04/18/1069200418.db2.gz SNPQJNVWQDSYGK-UZUQRXQVSA-N 0 3 460.648 3.221 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CC[C@]3(C2)CCCOC3)n1CC(C)(C)N1CCC(OC)CC1 ZINC001305759224 1069220578 /nfs/dbraw/zinc/22/05/78/1069220578.db2.gz CARBNBUYUAXXJL-SANMLTNESA-N 0 3 490.693 3.093 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC=C(Br)C2)n1CCN1CCCCC1 ZINC001305762884 1069224028 /nfs/dbraw/zinc/22/40/28/1069224028.db2.gz AEZCRHMAYYSZPG-UHFFFAOYSA-N 0 3 453.429 3.171 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](c3nc(C)no3)C2)n1C[C@H]1N(C)CCCC1(C)C ZINC001305767859 1069239643 /nfs/dbraw/zinc/23/96/43/1069239643.db2.gz JAYUSTFCXLIOLF-UYAOXDASSA-N 0 3 486.665 3.392 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](n3nc(C)cc3C)C2)n1CCN1CCCCC1 ZINC001305773796 1069254068 /nfs/dbraw/zinc/25/40/68/1069254068.db2.gz XXMUIQUPHDKGTP-QFIPXVFZSA-N 0 3 470.666 3.337 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCCN(Cc3ccccc3)CC2)n1Cc1ccc(F)cn1 ZINC001305776664 1069260961 /nfs/dbraw/zinc/26/09/61/1069260961.db2.gz PQSBUVMNXICWDP-UHFFFAOYSA-N 0 3 479.604 3.491 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCCN(Cc3ccccc3)CC2)n1C[C@@H]1CC=CCO1 ZINC001305777170 1069261743 /nfs/dbraw/zinc/26/17/43/1069261743.db2.gz UUCBAJGMZIDCQF-QHCPKHFHSA-N 0 3 466.630 3.254 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCCN(Cc3ccccc3)CC2)n1C[C@@](C)(O)c1ccco1 ZINC001305777203 1069262180 /nfs/dbraw/zinc/26/21/80/1069262180.db2.gz WAQXOADGGPCVKX-HHHXNRCGSA-N 0 3 494.640 3.410 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@]1(C)CCO[C@@H]1C1CC1 ZINC001305779071 1069268118 /nfs/dbraw/zinc/26/81/18/1069268118.db2.gz KDMUZVGMEGRQFA-NLFFAJNJSA-N 0 3 460.667 3.322 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(CC(C)C)CC2)n1CCc1cccc(F)c1F ZINC001305785396 1069285631 /nfs/dbraw/zinc/28/56/31/1069285631.db2.gz FTLOFVMPDVVVNG-UHFFFAOYSA-N 0 3 462.589 3.495 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(CC(C)C)CC2)n1C[C@H](C)c1c(C)noc1C ZINC001305785830 1069288310 /nfs/dbraw/zinc/28/83/10/1069288310.db2.gz MNNSZAIUNTZHAN-KRWDZBQOSA-N 0 3 459.639 3.383 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CCc1ccsc1 ZINC001305786629 1069291362 /nfs/dbraw/zinc/29/13/62/1069291362.db2.gz WFESYEFVBPSHKT-GOSISDBHSA-N 0 3 474.675 3.190 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(CC3CCCCC3)CC2)n1Cc1c(C)nn(C)c1C ZINC001305788613 1069297459 /nfs/dbraw/zinc/29/74/59/1069297459.db2.gz XMUYWEXZWFWAIN-UHFFFAOYSA-N 0 3 484.693 3.297 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1C[C@@H](C)c1ccccc1 ZINC001305788996 1069298622 /nfs/dbraw/zinc/29/86/22/1069298622.db2.gz YYUKYAOWBKSLLK-RTWAWAEBSA-N 0 3 468.646 3.159 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCO[C@@](C)(CC)C2)n1CC(C)(C)N1CCC(OC)CC1 ZINC001305789272 1069299160 /nfs/dbraw/zinc/29/91/60/1069299160.db2.gz CUSKEYNVFUUQBX-VWLOTQADSA-N 0 3 478.682 3.091 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1C[C@H]1N(C)CCCC1(C)C ZINC001305789951 1069300994 /nfs/dbraw/zinc/30/09/94/1069300994.db2.gz GORCAJPNEBWDER-IAGOWNOFSA-N 0 3 474.572 3.084 20 0 JGADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cnc4c(Cl)ncnc4c3)CC2)CC1 ZINC001164617350 719030089 /nfs/dbraw/zinc/03/00/89/719030089.db2.gz KERDHKWTRWBPPF-UHFFFAOYSA-N 0 3 453.921 3.467 20 0 JGADHN CNC(=O)CN1CCCC12CCN(c1cc(C(=O)Nc3ccc(Cl)nc3)ccc1F)CC2 ZINC001164686783 719719445 /nfs/dbraw/zinc/71/94/45/719719445.db2.gz SJJOGMYDNQOBQD-UHFFFAOYSA-N 0 3 459.953 3.307 20 0 JGADHN O=C(c1cccnc1N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1)N1CCN(Cc2ccccc2)CC1 ZINC001164731373 720406564 /nfs/dbraw/zinc/40/65/64/720406564.db2.gz ZHJGQGFYUHLLLA-SXOMAYOGSA-N 0 3 482.632 3.288 20 0 JGADHN CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)c1CN1CC[C@@H](CO)C1 ZINC001164729291 720415941 /nfs/dbraw/zinc/41/59/41/720415941.db2.gz GQPCXUIEVLGNNV-SDUSCBPUSA-N 0 3 492.668 3.129 20 0 JGADHN Cc1sc2nc(CN3CCOCC3)nc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c2c1C ZINC001164731495 720439846 /nfs/dbraw/zinc/43/98/46/720439846.db2.gz KYEOGKZQKODANC-LEWJYISDSA-N 0 3 464.639 3.389 20 0 JGADHN CCOC(=O)c1c(Cl)c2ccccc2nc1N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164745279 720757768 /nfs/dbraw/zinc/75/77/68/720757768.db2.gz UVCIWAMMSANEGT-HZPDHXFCSA-N 0 3 453.930 3.197 20 0 JGADHN O=C(Nc1cccc(Cl)c1)c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164741060 720764390 /nfs/dbraw/zinc/76/43/90/720764390.db2.gz LYNHOGSCMXHTOB-WOJBJXKFSA-N 0 3 450.930 3.119 20 0 JGADHN CCS(=O)(=O)c1ccnc(N2CC[C@]3(CN(CC4CC4)C[C@H]3COCc3cccnc3)C2)c1 ZINC001164755199 720939839 /nfs/dbraw/zinc/93/98/39/720939839.db2.gz ZTFKGPSHDUSYIL-DHLKQENFSA-N 0 3 470.639 3.025 20 0 JGADHN CCOC(=O)c1sc2ncnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1C ZINC001164866088 721044222 /nfs/dbraw/zinc/04/42/22/721044222.db2.gz CNFLHMSIYKROFA-ZWKOTPCHSA-N 0 3 453.568 3.051 20 0 JGADHN Clc1nc(Cl)c2nc(Cl)nc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c2n1 ZINC001164870465 721066304 /nfs/dbraw/zinc/06/63/04/721066304.db2.gz VYBXCNRYIFJSQC-QWHCGFSZSA-N 0 3 466.760 3.255 20 0 JGADHN Clc1nc2c(ncn2Cc2ccccc2)c(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164866533 721068279 /nfs/dbraw/zinc/06/82/79/721068279.db2.gz FCMLZWKKADJRIH-SFTDATJTSA-N 0 3 475.984 3.403 20 0 JGADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)nc5c4ncn5Cc4ccccc4)C[C@@H]3C2)cn1 ZINC001164773639 721100550 /nfs/dbraw/zinc/10/05/50/721100550.db2.gz XWZBEMDHUVKGJT-UXHICEINSA-N 0 3 462.989 3.220 20 0 JGADHN O=C(NCCSCc1ccco1)c1cccnc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865374 721110356 /nfs/dbraw/zinc/11/03/56/721110356.db2.gz KNAGHHRDQQYHBM-FYYLOGMGSA-N 0 3 493.633 3.213 20 0 JGADHN COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164866928 721121272 /nfs/dbraw/zinc/12/12/72/721121272.db2.gz VFOYCEVGTFAGGC-VQTJNVASSA-N 0 3 483.613 3.232 20 0 JGADHN CCOC(=O)c1cnc2ccc(Cl)nc2c1N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164766388 721122480 /nfs/dbraw/zinc/12/24/80/721122480.db2.gz KXUQKBZFSGAYCM-DLBZAZTESA-N 0 3 454.962 3.152 20 0 JGADHN COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164767530 721174487 /nfs/dbraw/zinc/17/44/87/721174487.db2.gz JZEWALRJPITIFY-MOPGFXCFSA-N 0 3 470.618 3.049 20 0 JGADHN CCOC(=O)c1sc2nc(C)nc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2c1C ZINC001164773364 721194156 /nfs/dbraw/zinc/19/41/56/721194156.db2.gz WPVSESIEEGEPIL-ROUUACIJSA-N 0 3 454.600 3.177 20 0 JGADHN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncnc5c4ccn5Cc4ccc(F)cc4)C3)O2)CC1 ZINC001164884589 721417373 /nfs/dbraw/zinc/41/73/73/721417373.db2.gz FCECOCUSVLXSQH-HOFKKMOUSA-N 0 3 478.616 3.384 20 0 JGADHN CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164904183 721556321 /nfs/dbraw/zinc/55/63/21/721556321.db2.gz DGHCATDFOXCCCD-CUWPLCDZSA-N 0 3 462.591 3.030 20 0 JGADHN Fc1cccc(O[C@H]2C[C@@H]3CN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)CCN3C2)c1 ZINC001164909157 721562185 /nfs/dbraw/zinc/56/21/85/721562185.db2.gz SCWSFAZWFJDXMM-NOZRDPDXSA-N 0 3 475.568 3.461 20 0 JGADHN CCc1cc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc(N2CCOCC2)n1 ZINC001164905577 721713656 /nfs/dbraw/zinc/71/36/56/721713656.db2.gz HROQZKPRYCNISZ-QHCPKHFHSA-N 0 3 458.557 3.008 20 0 JGADHN CCOC(=O)c1nc2ccn(C)c2c(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164908065 721718296 /nfs/dbraw/zinc/71/82/96/721718296.db2.gz UYIMSWINIJFMOW-QHCPKHFHSA-N 0 3 470.524 3.278 20 0 JGADHN FC(F)(COc1ccc(Cl)nn1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164959997 722059716 /nfs/dbraw/zinc/05/97/16/722059716.db2.gz CBXSMCGPSFVHMU-UHFFFAOYSA-N 0 3 453.921 3.111 20 0 JGADHN CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164981647 722100116 /nfs/dbraw/zinc/10/01/16/722100116.db2.gz LUSSAUHRWQWPBW-UNMCSNQZSA-N 0 3 486.576 3.182 20 0 JGADHN COc1cc2nc(Cl)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2cc1OC ZINC001164974909 722110031 /nfs/dbraw/zinc/11/00/31/722110031.db2.gz IVLYOWXKKPPIKS-HTAPYJJXSA-N 0 3 469.973 3.423 20 0 JGADHN COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164983156 722113309 /nfs/dbraw/zinc/11/33/09/722113309.db2.gz YKAQGVYVQJBOAW-WMZOPIPTSA-N 0 3 466.916 3.189 20 0 JGADHN COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164978389 722119136 /nfs/dbraw/zinc/11/91/36/722119136.db2.gz ONIZIOFMVHXTIR-NQIIRXRSSA-N 0 3 467.957 3.192 20 0 JGADHN CCOC(=O)c1cc2c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)[nH]c(C)c(C)c-2n1 ZINC001164980407 722127273 /nfs/dbraw/zinc/12/72/73/722127273.db2.gz QZDAANSHFXQZNL-REWPJTCUSA-N 0 3 463.582 3.479 20 0 JGADHN CC(C)(C)OC(=O)Nc1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c2[nH]cnc21 ZINC001164978044 722137830 /nfs/dbraw/zinc/13/78/30/722137830.db2.gz JIKWZGMPMILFLL-QUCCMNQESA-N 0 3 479.585 3.427 20 0 JGADHN COC(=O)C[C@H](c1ccnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1)C1CC1 ZINC001164976993 722137931 /nfs/dbraw/zinc/13/79/31/722137931.db2.gz HMTABNCLNUXICZ-KMDXXIMOSA-N 0 3 450.583 3.261 20 0 JGADHN c1cncc(CN2CCO[C@@H]3CN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)CC[C@@H]3C2)c1 ZINC001164980319 722142297 /nfs/dbraw/zinc/14/22/97/722142297.db2.gz MTBJYWWUORWHFM-PXDATVDWSA-N 0 3 459.550 3.037 20 0 JGADHN FC(F)[C@](F)(COc1cncc(Cl)n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164983818 722146229 /nfs/dbraw/zinc/14/62/29/722146229.db2.gz VJPXHQKCMRKGSP-WWMYMODYSA-N 0 3 471.911 3.058 20 0 JGADHN FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164975176 722150909 /nfs/dbraw/zinc/15/09/09/722150909.db2.gz FHRDLSJOWVMAHQ-MSOLQXFVSA-N 0 3 476.915 3.452 20 0 JGADHN O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164974692 722156994 /nfs/dbraw/zinc/15/69/94/722156994.db2.gz OWXSLYFIWDPABK-MJGOQNOKSA-N 0 3 481.931 3.494 20 0 JGADHN CC[C@H](Cn1c(C(C)C)nnc1N1CCN(C2CCOCC2)CC1)NC(=O)OC(C)(C)C ZINC001305806555 1069334650 /nfs/dbraw/zinc/33/46/50/1069334650.db2.gz OBSLGQUQYLVABX-GOSISDBHSA-N 0 3 450.628 3.006 20 0 JGADHN CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC001305831895 1069372879 /nfs/dbraw/zinc/37/28/79/1069372879.db2.gz GMSPQKOGJUAOSA-FCGDIQPGSA-N 0 3 450.628 3.004 20 0 JGADHN CC[C@@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CCCC2)CC1)OC ZINC001305838985 1069384242 /nfs/dbraw/zinc/38/42/42/1069384242.db2.gz SSXGGYQZXYAMFN-LEWJYISDSA-N 0 3 492.665 3.076 20 0 JGADHN CC[C@H](Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CCCC2)CC1)OC ZINC001305838986 1069384305 /nfs/dbraw/zinc/38/43/05/1069384305.db2.gz SSXGGYQZXYAMFN-NHCUHLMSSA-N 0 3 492.665 3.076 20 0 JGADHN CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(C(C)(C)C)CC1)Oc1ccccc1F ZINC001305847273 1069397342 /nfs/dbraw/zinc/39/73/42/1069397342.db2.gz UHQLBLJDJPURIQ-IBGZPJMESA-N 0 3 472.609 3.318 20 0 JGADHN CC[C@]1(C)CN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CCO1 ZINC001305887172 1069443630 /nfs/dbraw/zinc/44/36/30/1069443630.db2.gz KNJRNZGZVXXQRG-JLRUASKGSA-N 0 3 457.619 3.489 20 0 JGADHN CC[C@]1(C)CN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2cccc(OC)c2)N(C)C)CCO1 ZINC001305887174 1069443638 /nfs/dbraw/zinc/44/36/38/1069443638.db2.gz KNJRNZGZVXXQRG-QFZWGZQFSA-N 0 3 457.619 3.489 20 0 JGADHN CCc1ccc([C@H](Cn2c(Cc3ccccn3)nnc2N2CCC[C@H](NC(C)=O)C2)N(C)C)cc1 ZINC001305917712 1069472027 /nfs/dbraw/zinc/47/20/27/1069472027.db2.gz IDSWIMPYQDKIRX-DQEYMECFSA-N 0 3 475.641 3.234 20 0 JGADHN CCc1ccc([C@@H](Cn2c(N3CC(C)(OC)C3)nnc2[C@]2(OC(C)C)CCOC2)N(C)C)cc1 ZINC001305918065 1069472502 /nfs/dbraw/zinc/47/25/02/1069472502.db2.gz CNHOSUJHMSKQAE-GJZUVCINSA-N 0 3 471.646 3.409 20 0 JGADHN CCc1ccc(-c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)CN2CCCCC2)cc1 ZINC001305917760 1069472518 /nfs/dbraw/zinc/47/25/18/1069472518.db2.gz MGOYCWULGYGNSX-SIKLNZKXSA-N 0 3 459.660 3.253 20 0 JGADHN CCc1ccc([C@@H](Cn2c([C@H]3CCCO3)nnc2N2CCC(CC(=O)NC)CC2)N(C)C)cc1 ZINC001305918138 1069473153 /nfs/dbraw/zinc/47/31/53/1069473153.db2.gz FFKQMIBVRGVAPG-DHIUTWEWSA-N 0 3 468.646 3.347 20 0 JGADHN CCc1ccc([C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCCOCC2)N(C)C)cc1 ZINC001305918481 1069473165 /nfs/dbraw/zinc/47/31/65/1069473165.db2.gz SIMMHQDDDWLIQO-OAQYLSRUSA-N 0 3 463.586 3.017 20 0 JGADHN CCc1ccc([C@@H](Cn2c(N3CCC(CNS(C)(=O)=O)CC3)nnc2C(C)(C)C)N(C)C)cc1 ZINC001305919107 1069474220 /nfs/dbraw/zinc/47/42/20/1069474220.db2.gz HQKINJZDKJAQQV-JOCHJYFZSA-N 0 3 490.718 3.207 20 0 JGADHN CCc1ccc([C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@H](CC(N)=O)C2)N(C)C)cc1 ZINC001305919260 1069474735 /nfs/dbraw/zinc/47/47/35/1069474735.db2.gz OBUAWMSEKJQSGN-PUHATCMVSA-N 0 3 468.646 3.477 20 0 JGADHN CCc1ccc([C@H](Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](COC)C2)N(C)C)cc1 ZINC001305920203 1069475283 /nfs/dbraw/zinc/47/52/83/1069475283.db2.gz SFRRSTXHDZBVRR-GOTSBHOMSA-N 0 3 484.670 3.351 20 0 JGADHN CCc1ccc([C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H](C)CC[C@@H]2C)N(C)C)cc1 ZINC001305920238 1069475376 /nfs/dbraw/zinc/47/53/76/1069475376.db2.gz XKEXJBVHCYCADD-GHDARCQNSA-N 0 3 476.691 3.378 20 0 JGADHN CCc1ccc([C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCC2CCOCC2)N(C)C)cc1 ZINC001305920632 1069476260 /nfs/dbraw/zinc/47/62/60/1069476260.db2.gz TVWQZACDHTYPQX-GOTSBHOMSA-N 0 3 468.646 3.347 20 0 JGADHN CCc1ccc([C@H](Cn2c(Cc3ccccn3)nnc2N2CC[C@@](C)(C(=O)NC)C2)N(C)C)cc1 ZINC001305921084 1069476862 /nfs/dbraw/zinc/47/68/62/1069476862.db2.gz WFLARAQURUBJAV-WNCULLNHSA-N 0 3 475.641 3.092 20 0 JGADHN CCc1ccc([C@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@H](OC)C2)N(C)C)cc1 ZINC001305921216 1069477380 /nfs/dbraw/zinc/47/73/80/1069477380.db2.gz RUUQVDAIQCYNQC-RTWAWAEBSA-N 0 3 482.654 3.360 20 0 JGADHN CN(CC(C)(C)C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN1CCC(O)CC1 ZINC001298222599 1064137123 /nfs/dbraw/zinc/13/71/23/1064137123.db2.gz UNSXYRYVEUNCKI-UHFFFAOYSA-N 0 3 491.640 3.413 20 0 JGADHN CN(C)[C@@H](Cn1c(-c2cccn2C)nnc1N(C)CC(C)(C)CN1CCOCC1)c1cccs1 ZINC001298236592 1064142140 /nfs/dbraw/zinc/14/21/40/1064142140.db2.gz XWMKFYBQFCMQFY-NRFANRHFSA-N 0 3 485.702 3.443 20 0 JGADHN CN(Cc1ccc([S@](C)=O)cc1)c1nnc(CC2CCCC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001298321007 1064196797 /nfs/dbraw/zinc/19/67/97/1064196797.db2.gz BJOFLZIYYZLJDU-UMSFTDKQSA-N 0 3 486.730 3.411 20 0 JGADHN CN(Cc1cccc(F)c1)c1nnc(CNC(=O)c2cccs2)n1CCN1CCN(C)C(C)(C)C1 ZINC001298341017 1064209602 /nfs/dbraw/zinc/20/96/02/1064209602.db2.gz YTCAIAUNSSEQDU-UHFFFAOYSA-N 0 3 499.660 3.071 20 0 JGADHN COC(=O)[C@@H]1CN(C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)C[C@H]1c1ccc(O)cc1 ZINC001298362679 1064219664 /nfs/dbraw/zinc/21/96/64/1064219664.db2.gz FVHRLHDKTIZNME-BTZRARBUSA-N 0 3 450.579 3.450 20 0 JGADHN CN1C[C@H]2[C@@H](CCN2C(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)C1 ZINC001298378291 1064225371 /nfs/dbraw/zinc/22/53/71/1064225371.db2.gz XIZIYSVASVMQQB-REWPJTCUSA-N 0 3 455.624 3.239 20 0 JGADHN COc1cc(I)ccc1C(=O)Nc1cccc(CN2CC[C@@H](O)C2)c1 ZINC001298378423 1064225734 /nfs/dbraw/zinc/22/57/34/1064225734.db2.gz IWPIFFIOTWOHLO-MRXNPFEDSA-N 0 3 452.292 3.119 20 0 JGADHN CN(C)C1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N(C)Cc2cccs2)CCOCC1 ZINC001298386374 1064227989 /nfs/dbraw/zinc/22/79/89/1064227989.db2.gz CXUSUIUGUHLGPG-UHFFFAOYSA-N 0 3 489.667 3.157 20 0 JGADHN NC(=O)c1ccccc1NCC(=O)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001298397472 1064232628 /nfs/dbraw/zinc/23/26/28/1064232628.db2.gz YDYSEESSFDYBDD-QHCPKHFHSA-N 0 3 457.578 3.286 20 0 JGADHN CN(C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ncnn1CC(F)F)c1cccs1 ZINC001298462511 1064264033 /nfs/dbraw/zinc/26/40/33/1064264033.db2.gz RPNAFABBBGWFNR-HNNXBMFYSA-N 0 3 461.546 3.131 20 0 JGADHN CN(CC1CC(F)C1)c1nnc(COc2ccc(F)cc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001298488715 1064277269 /nfs/dbraw/zinc/27/72/69/1064277269.db2.gz FAXYQQJOKHNCSX-UHFFFAOYSA-N 0 3 462.589 3.207 20 0 JGADHN CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)CCCN3CCN(c4ccccc4)CC3)CC[C@H]21 ZINC001298533611 1064295923 /nfs/dbraw/zinc/29/59/23/1064295923.db2.gz CYOPWHSAWPJCSQ-JTHBVZDNSA-N 0 3 456.631 3.447 20 0 JGADHN CN(C[C@H]1CCCCO1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCN(C)C(C)(C)C1 ZINC001298547936 1064311120 /nfs/dbraw/zinc/31/11/20/1064311120.db2.gz XOKMBVWQEOSMFD-YPAWHYETSA-N 0 3 476.710 3.228 20 0 JGADHN CN(C[C@@H]1CCCOC1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCN(C)C(C)(C)C1 ZINC001298559340 1064324536 /nfs/dbraw/zinc/32/45/36/1064324536.db2.gz CYMYMHWTPSVXEW-BHDDXSALSA-N 0 3 476.710 3.086 20 0 JGADHN CN(C)[C@H](Cn1c(Cc2ccncc2)nnc1N(C)CC1COC(C)(C)OC1)c1cccs1 ZINC001298588633 1064362722 /nfs/dbraw/zinc/36/27/22/1064362722.db2.gz LJKAAVSTHPTEQJ-HXUWFJFHSA-N 0 3 470.643 3.464 20 0 JGADHN CN(CC1COC(C)(C)OC1)c1nnc(CCCc2ccccc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001298589167 1064363613 /nfs/dbraw/zinc/36/36/13/1064363613.db2.gz VLSLELBBICEYCI-UHFFFAOYSA-N 0 3 498.716 3.315 20 0 JGADHN CN(CCc1ccc(Cl)cc1)c1nnc([C@H]2CCCO2)n1CCN1CCN(C)C(C)(C)C1 ZINC001298615045 1064387288 /nfs/dbraw/zinc/38/72/88/1064387288.db2.gz ROWFHGYPBOPZJD-OAQYLSRUSA-N 0 3 461.054 3.488 20 0 JGADHN CN(CCc1ccccc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCCC1 ZINC001298619834 1064391083 /nfs/dbraw/zinc/39/10/83/1064391083.db2.gz ZTJNPLNTNGRCEY-HXUWFJFHSA-N 0 3 477.650 3.263 20 0 JGADHN CN(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1)Cc1ccc(F)cc1 ZINC001298705633 1064511072 /nfs/dbraw/zinc/51/10/72/1064511072.db2.gz IKFRJYDTQBGZRG-NBGIEHNGSA-N 0 3 472.609 3.142 20 0 JGADHN CN(CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccc(F)cc1 ZINC001298713964 1064523161 /nfs/dbraw/zinc/52/31/61/1064523161.db2.gz ISWAFMDYYQJCMB-FQEVSTJZSA-N 0 3 488.608 3.110 20 0 JGADHN CN(CCn1c(COc2ccccc2F)nnc1N1CCC[C@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC001298719808 1064530633 /nfs/dbraw/zinc/53/06/33/1064530633.db2.gz QDCKPWOUQGMXJC-FQEVSTJZSA-N 0 3 493.649 3.274 20 0 JGADHN Cc1n[nH]c(C(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)c1I ZINC001298720562 1064531772 /nfs/dbraw/zinc/53/17/72/1064531772.db2.gz ALBDFCJAZRGNOP-HNNXBMFYSA-N 0 3 456.328 3.143 20 0 JGADHN CC(C)Oc1ccc([C@H](CNC(=O)[C@H](C)[C@H](O)CN(C)C(=O)OC(C)(C)C)N(C)C)cc1 ZINC001298722315 1064533241 /nfs/dbraw/zinc/53/32/41/1064533241.db2.gz LZVVSZYUXMIGOI-JRGCBEDISA-N 0 3 451.608 3.057 20 0 JGADHN CN(C)C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccc(F)cc1 ZINC001298814620 1064616691 /nfs/dbraw/zinc/61/66/91/1064616691.db2.gz WJOLYKCAVUHDLE-LJQANCHMSA-N 0 3 453.605 3.023 20 0 JGADHN Cn1cccc1-c1nnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)n1CCN1CC=CCC1 ZINC001298857810 1064660494 /nfs/dbraw/zinc/66/04/94/1064660494.db2.gz GZUJXVFXQZLWMP-UHFFFAOYSA-N 0 3 469.634 3.287 20 0 JGADHN COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)c(OC)c1 ZINC001298885495 1064692123 /nfs/dbraw/zinc/69/21/23/1064692123.db2.gz GBUMZBLAMDYELQ-YFXJRYMSSA-N 0 3 451.567 3.088 20 0 JGADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCOC(C)(C)C)CC1 ZINC001298886375 1064693940 /nfs/dbraw/zinc/69/39/40/1064693940.db2.gz GDCJGGVPRCMXLE-OAQYLSRUSA-N 0 3 489.064 3.080 20 0 JGADHN C[C@@H]1[C@@H](NC(=O)C2=NO[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)CCN1Cc1ccccc1 ZINC001298888248 1064697869 /nfs/dbraw/zinc/69/78/69/1064697869.db2.gz NZHRJHODLXPSEX-KNOQFWTLSA-N 0 3 456.587 3.312 20 0 JGADHN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1 ZINC001298888913 1064698936 /nfs/dbraw/zinc/69/89/36/1064698936.db2.gz PQCMMUMBSUMMHU-QDSKXPNFSA-N 0 3 457.640 3.467 20 0 JGADHN C[C@@H]1[C@@H](NC(=O)COc2ccc(I)cc2)CCN1Cc1ccccc1 ZINC001298890768 1064700553 /nfs/dbraw/zinc/70/05/53/1064700553.db2.gz YNKCOBSNGXSURN-BEFAXECRSA-N 0 3 450.320 3.449 20 0 JGADHN CN1CCN(CCn2c(N3CCO[C@H](c4ccc(F)c(F)c4)C3)nnc2C(C)(C)C)CC1(C)C ZINC001298903410 1064708466 /nfs/dbraw/zinc/70/84/66/1064708466.db2.gz PNKTUNBJUFRDIV-NRFANRHFSA-N 0 3 476.616 3.458 20 0 JGADHN CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(OC)c2)n1C[C@@H](c1cccs1)N(C)C ZINC001298964169 1064750860 /nfs/dbraw/zinc/75/08/60/1064750860.db2.gz HRSBCAFYOILDPM-APWZRJJASA-N 0 3 456.616 3.136 20 0 JGADHN CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](c1ccccc1)N(C)C ZINC001299003599 1064783786 /nfs/dbraw/zinc/78/37/86/1064783786.db2.gz VPCNNJUZIRYBJB-BDKRGJGYSA-N 0 3 470.662 3.318 20 0 JGADHN CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](c1ccccc1)N(C)C ZINC001299003600 1064783830 /nfs/dbraw/zinc/78/38/30/1064783830.db2.gz VPCNNJUZIRYBJB-PSWRPDDJSA-N 0 3 470.662 3.318 20 0 JGADHN CNC(=O)[C@@]1(C)CCN(c2nnc(Cc3ccsc3)n2CCN(C)Cc2ccc(F)cc2)C1 ZINC001299028198 1064812298 /nfs/dbraw/zinc/81/22/98/1064812298.db2.gz LYQLAQXFAPCEMS-DEOSSOPVSA-N 0 3 470.618 3.164 20 0 JGADHN CNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](c2ccsc2)N(C)C)CC1 ZINC001299109393 1064917398 /nfs/dbraw/zinc/91/73/98/1064917398.db2.gz LGERXPDKNJXTFR-NRFANRHFSA-N 0 3 498.653 3.289 20 0 JGADHN COC1(Cn2c(C(=O)NC(C)C)nnc2N2CCCN(Cc3ccccc3)CC2)CCCC1 ZINC001299794569 1064990475 /nfs/dbraw/zinc/99/04/75/1064990475.db2.gz KRBNTZLGKKEBCP-UHFFFAOYSA-N 0 3 454.619 3.088 20 0 JGADHN COC1(Cn2c(C(C)C)nnc2N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)CCCCC1 ZINC001299794027 1064990718 /nfs/dbraw/zinc/99/07/18/1064990718.db2.gz AKLFJBFZIXPKJG-IRLDBZIGSA-N 0 3 460.667 3.130 20 0 JGADHN CO[C@]1(Cn2c(COc3cc(C)ccc3C)nnc2N2CCN(CC(C)C)CC2)CCOC1 ZINC001299817360 1065011311 /nfs/dbraw/zinc/01/13/11/1065011311.db2.gz SOCADNAYKWSDKC-VWLOTQADSA-N 0 3 457.619 3.057 20 0 JGADHN COc1cc(-c2nnc(N(C)CC3CC(F)C3)n2CCN2CC=CCC2)cc(OC)c1OC ZINC001299840730 1065035204 /nfs/dbraw/zinc/03/52/04/1065035204.db2.gz ZOMBHXPSZAQPEM-UHFFFAOYSA-N 0 3 459.566 3.417 20 0 JGADHN COc1cc(-c2nnc(N3CCN(C4CCCC4)CC3)n2C[C@H](C)OC)cc(OC)c1OC ZINC001299858455 1065070517 /nfs/dbraw/zinc/07/05/17/1065070517.db2.gz OFFDNPHTGXNDCW-KRWDZBQOSA-N 0 3 459.591 3.070 20 0 JGADHN COc1cc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CC(C)(C)OC)cc(OC)c1OC ZINC001299858709 1065071000 /nfs/dbraw/zinc/07/10/00/1065071000.db2.gz SGOXRKFSUVQNEA-UHFFFAOYSA-N 0 3 461.607 3.316 20 0 JGADHN COc1cc(Cl)ccc1-c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@]1(OC)CCOC1 ZINC001299908411 1065152583 /nfs/dbraw/zinc/15/25/83/1065152583.db2.gz UPLIGAMOSRYILS-QHCPKHFHSA-N 0 3 464.010 3.333 20 0 JGADHN COc1cc(Cl)ccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001299916097 1065167296 /nfs/dbraw/zinc/16/72/96/1065167296.db2.gz KZYKZGLAPPVQLA-LJQANCHMSA-N 0 3 475.037 3.498 20 0 JGADHN CCN1C(=O)N=NC1C1CCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)CC1 ZINC001299926611 1065187241 /nfs/dbraw/zinc/18/72/41/1065187241.db2.gz XEXKJZQGYUYVTH-NRFANRHFSA-N 0 3 451.493 3.164 20 0 JGADHN COc1cc(OC)cc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@H](c2cccs2)N(C)C)c1 ZINC001299944983 1065216961 /nfs/dbraw/zinc/21/69/61/1065216961.db2.gz NLUICCPECOQOPM-LAUBAEHRSA-N 0 3 498.653 3.419 20 0 JGADHN COc1cc(OC)cc(-c2nnc(N3CCN(C[C@H]4CCOC4)CC3)n2CCCC(F)(F)F)c1 ZINC001299953256 1065233770 /nfs/dbraw/zinc/23/37/70/1065233770.db2.gz XKMKBMMNXOFUEU-QGZVFWFLSA-N 0 3 483.535 3.463 20 0 JGADHN COc1ccc(Br)c(-c2nnc(N3CCN(CC(C)C)CC3)n2CC2(O)CCC2)c1 ZINC001299973181 1065260944 /nfs/dbraw/zinc/26/09/44/1065260944.db2.gz GJBGHGYCRGCDTG-UHFFFAOYSA-N 0 3 478.435 3.409 20 0 JGADHN COc1ccc(-c2nnc(N(C)C3CCN(CCn4cccn4)CC3)n2CC(C)C)cc1OC ZINC001299995142 1065302083 /nfs/dbraw/zinc/30/20/83/1065302083.db2.gz LWQLBSULRFBICC-UHFFFAOYSA-N 0 3 467.618 3.416 20 0 JGADHN Cc1ccc(N2CCN(c3nnc(C(=O)NC(C)C)n3CCN3CCCC(C)(C)C3)CC2)cc1 ZINC001492226259 1065329297 /nfs/dbraw/zinc/32/92/97/1065329297.db2.gz DDQFXXLJYWEKBS-UHFFFAOYSA-N 0 3 467.662 3.173 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H]3C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)cc1C ZINC001492268913 1065364070 /nfs/dbraw/zinc/36/40/70/1065364070.db2.gz ZMIMTSGNZNJBJL-RBBKRZOGSA-N 0 3 481.645 3.079 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCOC(C)(C)[C@@H]3C)n2CCN2CCN(C)C(C)(C)C2)cc1C ZINC001492273770 1065366692 /nfs/dbraw/zinc/36/66/92/1065366692.db2.gz MBRCHVBHGZFYBL-NRFANRHFSA-N 0 3 497.688 3.177 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCC(F)(F)CC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)cc1 ZINC001492359296 1065420461 /nfs/dbraw/zinc/42/04/61/1065420461.db2.gz IZHLXSOCPPUHPL-NRFANRHFSA-N 0 3 490.599 3.344 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(C(C)(C)C)CC3)n2CCCO[C@H]2CCOC2)cc1 ZINC001492382790 1065444758 /nfs/dbraw/zinc/44/47/58/1065444758.db2.gz DAMWDLKKBGPEHY-QFIPXVFZSA-N 0 3 457.619 3.282 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(C(=O)[C@@H]4CCCN4C)CC3)n2CCC(C)C)cc1C ZINC001492383327 1065447951 /nfs/dbraw/zinc/44/79/51/1065447951.db2.gz QUEWWFVYYHRTNM-QHCPKHFHSA-N 0 3 468.646 3.263 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(C4CCOCC4)C[C@@H]3C)n2CCC(=O)NC(C)C)cc1C ZINC001492385197 1065452061 /nfs/dbraw/zinc/45/20/61/1065452061.db2.gz OBYWFQWQKKGDBI-QFIPXVFZSA-N 0 3 498.672 3.078 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2C[C@H](c2cccs2)N(C)C)cc1C ZINC001492390858 1065455582 /nfs/dbraw/zinc/45/55/82/1065455582.db2.gz DIWJCIVHFPNBSW-HXUWFJFHSA-N 0 3 468.627 3.165 20 0 JGADHN COCC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001300929401 1065729379 /nfs/dbraw/zinc/72/93/79/1065729379.db2.gz PNSYPZOWVWDTNZ-VQTJNVASSA-N 0 3 475.609 3.388 20 0 JGADHN COC[C@@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001300953535 1065757600 /nfs/dbraw/zinc/75/76/00/1065757600.db2.gz QNRPUCDODQSGJA-GBXCKJPGSA-N 0 3 497.688 3.034 20 0 JGADHN COC[C@H](C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001300957317 1065762695 /nfs/dbraw/zinc/76/26/95/1065762695.db2.gz FEAYLYHWXZKVCP-MSOLQXFVSA-N 0 3 478.435 3.149 20 0 JGADHN COC[C@@H](C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001300984637 1065796179 /nfs/dbraw/zinc/79/61/79/1065796179.db2.gz GLGZSFMRODLQBS-FQEVSTJZSA-N 0 3 471.646 3.305 20 0 JGADHN O=C(c1ccc(Br)cc1)c1ccccc1C(=O)N1CCC(N2CC[C@@H](O)C2)CC1 ZINC001301092355 1065941025 /nfs/dbraw/zinc/94/10/25/1065941025.db2.gz ANHTVMLBCHWZOH-LJQANCHMSA-N 0 3 457.368 3.351 20 0 JGADHN C=Cc1ccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CCCCC3)CC2)cc1 ZINC001301099160 1065946108 /nfs/dbraw/zinc/94/61/08/1065946108.db2.gz XLLPPUSEMXYPSJ-HXUWFJFHSA-N 0 3 486.686 3.229 20 0 JGADHN C=Cc1ccc(CCn2c(C3CCC3)nnc2N2CCN(C(=O)CN(CC)CC)CC2)cc1 ZINC001301101433 1065948871 /nfs/dbraw/zinc/94/88/71/1065948871.db2.gz UEYQGDOLJQOVLT-UHFFFAOYSA-N 0 3 450.631 3.422 20 0 JGADHN COCC1=CCN(c2nnc(Cc3ccccn3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 ZINC001301196325 1066023013 /nfs/dbraw/zinc/02/30/13/1066023013.db2.gz WVOQXKDFBIQMCC-XMMPIXPASA-N 0 3 462.598 3.358 20 0 JGADHN COCC1=CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 ZINC001301199191 1066025132 /nfs/dbraw/zinc/02/51/32/1066025132.db2.gz HPQXXSKPKJYNGF-HSZRJFAPSA-N 0 3 467.593 3.365 20 0 JGADHN COC[C@@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2CCC(C)CC2)C1 ZINC001301262960 1066077932 /nfs/dbraw/zinc/07/79/32/1066077932.db2.gz AUGWHNDFCQOLNU-OAQYLSRUSA-N 0 3 489.686 3.333 20 0 JGADHN COC[C@@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001301283553 1066091626 /nfs/dbraw/zinc/09/16/26/1066091626.db2.gz PKOLQJQLWSNIHK-HSZRJFAPSA-N 0 3 484.689 3.363 20 0 JGADHN COCCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001301426255 1066221596 /nfs/dbraw/zinc/22/15/96/1066221596.db2.gz KIRCBWLHVXUHKL-UHFFFAOYSA-N 0 3 456.635 3.260 20 0 JGADHN COCC[C@](C)(O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C2CCCCC2)CC1 ZINC001301434781 1066233888 /nfs/dbraw/zinc/23/38/88/1066233888.db2.gz OTARYOCWTMQVEY-MHZLTWQESA-N 0 3 498.672 3.389 20 0 JGADHN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(Br)c2)n1CC1(N(C)C)CCC1 ZINC001301983513 1066291963 /nfs/dbraw/zinc/29/19/63/1066291963.db2.gz PCRPCBUYHHRQMK-HOTGVXAUSA-N 0 3 498.491 3.450 20 0 JGADHN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCN(CCc2ccccc2)C1 ZINC001301990984 1066310451 /nfs/dbraw/zinc/31/04/51/1066310451.db2.gz MERLPQUJWWLFPO-KCZVDYSFSA-N 0 3 484.670 3.096 20 0 JGADHN CC1(C)CN(C(=O)CCOc2ccc(S(N)(=O)=O)cc2)C(C)(C)CN1Cc1ccccc1 ZINC001301493584 1066318672 /nfs/dbraw/zinc/31/86/72/1066318672.db2.gz AHUWHHXYJPFUDC-UHFFFAOYSA-N 0 3 459.612 3.005 20 0 JGADHN COCC[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C(C)C)N2CCCC2)C1 ZINC001301507293 1066336176 /nfs/dbraw/zinc/33/61/76/1066336176.db2.gz ZSKYFUKBFVLSHX-OFNKIYASSA-N 0 3 489.686 3.332 20 0 JGADHN COCCCCCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001301526957 1066353947 /nfs/dbraw/zinc/35/39/47/1066353947.db2.gz RSBTVMIJDRCNGB-PXDATVDWSA-N 0 3 498.672 3.149 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1CCN1CCCCC1 ZINC001302013032 1066358470 /nfs/dbraw/zinc/35/84/70/1066358470.db2.gz OHEHZQLYGWETTA-HXUWFJFHSA-N 0 3 494.681 3.372 20 0 JGADHN COCCCCCn1c(C2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001301539156 1066366964 /nfs/dbraw/zinc/36/69/64/1066366964.db2.gz GAUFNWIOHZHDJD-NZQKXSOJSA-N 0 3 460.667 3.131 20 0 JGADHN COCCCCn1c(Cc2ccccc2F)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001301574315 1066399191 /nfs/dbraw/zinc/39/91/91/1066399191.db2.gz MCCOIONOCIKZEX-JOCHJYFZSA-N 0 3 458.626 3.039 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001302077979 1066490543 /nfs/dbraw/zinc/49/05/43/1066490543.db2.gz DSZHBRFFHBATRL-MRXNPFEDSA-N 0 3 470.540 3.385 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@](C)(O)c1cc(C)oc1C ZINC001302080680 1066497820 /nfs/dbraw/zinc/49/78/20/1066497820.db2.gz UGEFCACQZVSFHC-CYFREDJKSA-N 0 3 463.623 3.040 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1cnn(Cc2ccccc2)c1 ZINC001302080969 1066498901 /nfs/dbraw/zinc/49/89/01/1066498901.db2.gz RBJCNEBGKUUYHR-OAQYLSRUSA-N 0 3 481.645 3.216 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001302081354 1066500051 /nfs/dbraw/zinc/50/00/51/1066500051.db2.gz XBJXKNOQTZRGKJ-WOJBJXKFSA-N 0 3 496.697 3.472 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC001302081352 1066500247 /nfs/dbraw/zinc/50/02/47/1066500247.db2.gz XBJXKNOQTZRGKJ-VQTJNVASSA-N 0 3 496.697 3.472 20 0 JGADHN CC(C)(C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCCCOc1ccc(F)cc1 ZINC001302087223 1066512191 /nfs/dbraw/zinc/51/21/91/1066512191.db2.gz VDGULLXOUIVGSC-UHFFFAOYSA-N 0 3 486.636 3.318 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCN(CC3CCOCC3)CC2)n1Cc1ccc(Cl)cc1 ZINC001302089360 1066516221 /nfs/dbraw/zinc/51/62/21/1066516221.db2.gz NNZFBQVVMCTSDO-IBGZPJMESA-N 0 3 478.037 3.252 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCN(C3CCOCC3)CC2)n1Cc1cccc(C(C)(F)F)c1 ZINC001302091389 1066519319 /nfs/dbraw/zinc/51/93/19/1066519319.db2.gz BWPUDBGEFYKWNR-LJQANCHMSA-N 0 3 493.599 3.463 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CCc1c(F)cccc1F ZINC001302091418 1066519386 /nfs/dbraw/zinc/51/93/86/1066519386.db2.gz CLNZFQWFIZBMOC-OALUTQOASA-N 0 3 493.599 3.213 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCN(C3CCCCC3)CC2)n1CCN(C)C(=O)OC(C)(C)C ZINC001302094783 1066523754 /nfs/dbraw/zinc/52/37/54/1066523754.db2.gz RCDHUMPADRAUKA-HXUWFJFHSA-N 0 3 494.681 3.324 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1Cc1ccnc(SC)c1 ZINC001302095265 1066524590 /nfs/dbraw/zinc/52/45/90/1066524590.db2.gz UKYSZQWLYGGCPB-SFHVURJKSA-N 0 3 460.648 3.232 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCN(C3CCOCC3)CC2)n1CC(C)(C)c1ccccc1F 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3.051 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccccn2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001302254534 1066796262 /nfs/dbraw/zinc/79/62/62/1066796262.db2.gz XDGJYTFYNLROQO-PMOQBDJRSA-N 0 3 468.577 3.476 20 0 JGADHN CC(=O)N[C@H]1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@H](c2cccc(F)c2)N(C)C)C1 ZINC001301830425 1066796391 /nfs/dbraw/zinc/79/63/91/1066796391.db2.gz YGUPFKPNRKKURE-RBBKRZOGSA-N 0 3 485.633 3.181 20 0 JGADHN CN(C)CCSc1nc(CC(=O)N[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)cs1 ZINC001302257425 1066802087 /nfs/dbraw/zinc/80/20/87/1066802087.db2.gz QRXQQSLKCUVJKK-HNNXBMFYSA-N 0 3 456.996 3.054 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1C[C@@H](c1ccccc1)N(C)C ZINC001302271201 1066829837 /nfs/dbraw/zinc/82/98/37/1066829837.db2.gz CGJBZTZDDIUBCJ-GBAJDQEWSA-N 0 3 457.619 3.309 20 0 JGADHN CC(C)(C)OC(=O)NCCCn1c(N2CCC(CN3CCOCC3)CC2)nnc1C(C)(C)C ZINC001302273562 1066833894 /nfs/dbraw/zinc/83/38/94/1066833894.db2.gz RUIZKARLOVVWBX-UHFFFAOYSA-N 0 3 464.655 3.039 20 0 JGADHN CC(=O)NC[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC001301871674 1066865806 /nfs/dbraw/zinc/86/58/06/1066865806.db2.gz FIDYLZAUWOJPIK-YMPZKCBVSA-N 0 3 454.619 3.093 20 0 JGADHN CC(=O)NCC1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)N2CCc3ccccc3C2)CC1 ZINC001301873448 1066872247 /nfs/dbraw/zinc/87/22/47/1066872247.db2.gz YVLDKQTZSWPHAS-LJQANCHMSA-N 0 3 452.647 3.375 20 0 JGADHN CC(C)n1nnc(NC(=O)CC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)n1 ZINC001301875424 1066876271 /nfs/dbraw/zinc/87/62/71/1066876271.db2.gz LIUQIKGBONWRKI-UHFFFAOYSA-N 0 3 457.579 3.142 20 0 JGADHN CC(C)(C)O[C@@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CC=CCC2)C1 ZINC001302299206 1066883185 /nfs/dbraw/zinc/88/31/85/1066883185.db2.gz SVYCPTSFMXULCQ-LJQANCHMSA-N 0 3 472.659 3.315 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1cccc(Br)n1 ZINC001302304774 1066892736 /nfs/dbraw/zinc/89/27/36/1066892736.db2.gz BBVCDPDWOAZBLZ-LPHOPBHVSA-N 0 3 493.450 3.128 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H](C)Oc1cccc(OC)c1 ZINC001302304790 1066892825 /nfs/dbraw/zinc/89/28/25/1066892825.db2.gz BKNVMJRNBWIPQE-QTEQDKRBSA-N 0 3 487.645 3.399 20 0 JGADHN CC(C)(C)OCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001302306684 1066897111 /nfs/dbraw/zinc/89/71/11/1066897111.db2.gz CFSCMBUBSJTFNL-UHFFFAOYSA-N 0 3 495.466 3.399 20 0 JGADHN CC(=O)NCC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 ZINC001301887190 1066899800 /nfs/dbraw/zinc/89/98/00/1066899800.db2.gz PEXAXPAJWKCXJX-BJKOFHAPSA-N 0 3 468.646 3.136 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(CC(C)C)CC2)n1C[C@@](C)(O)c1cccc(Cl)c1 ZINC001302311413 1066905255 /nfs/dbraw/zinc/90/52/55/1066905255.db2.gz JDSHJGWVKZBLOX-KIVTUJJHSA-N 0 3 492.064 3.341 20 0 JGADHN COCCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](c2ccsc2)N(C)C)C[C@H]1C ZINC001301889471 1066907741 /nfs/dbraw/zinc/90/77/41/1066907741.db2.gz ZNAAOTMOEGIBNK-YLJYHZDGSA-N 0 3 458.632 3.368 20 0 JGADHN COCCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](c2ccco2)N(C)C)CC1 ZINC001301897214 1066921446 /nfs/dbraw/zinc/92/14/46/1066921446.db2.gz ULPBMIRYOYKTNL-FQEVSTJZSA-N 0 3 458.994 3.263 20 0 JGADHN COCCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2ccccc2Cl)N(C)C)C[C@H]1C ZINC001301900105 1066924558 /nfs/dbraw/zinc/92/45/58/1066924558.db2.gz XBDMIUOTFOXQMM-GCJKJVERSA-N 0 3 472.037 3.386 20 0 JGADHN CC(C)(C)[S@](=O)CCn1c(Cc2ccsc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001302326651 1066927838 /nfs/dbraw/zinc/92/78/38/1066927838.db2.gz SBQJYAWQUVICQY-JGCGQSQUSA-N 0 3 479.716 3.026 20 0 JGADHN CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1CC(=O)NCc1ccco1 ZINC001302329802 1066930685 /nfs/dbraw/zinc/93/06/85/1066930685.db2.gz KIXKSRSHFCZPCR-TZIWHRDSSA-N 0 3 472.634 3.027 20 0 JGADHN COCCN1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CN(Cc3ccccc3)CCCO2)C[C@H]1C ZINC001301913050 1066940843 /nfs/dbraw/zinc/94/08/43/1066940843.db2.gz SJLOIZQBSRQENT-ILBGXUMGSA-N 0 3 498.716 3.315 20 0 JGADHN COCCN1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CN(Cc3ccccc3)CCCO2)C[C@@H]1C ZINC001301913053 1066941064 /nfs/dbraw/zinc/94/10/64/1066941064.db2.gz SJLOIZQBSRQENT-UKILVPOCSA-N 0 3 498.716 3.315 20 0 JGADHN CON(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](c1ccc(C)cc1)N(C)C ZINC001302350030 1066945155 /nfs/dbraw/zinc/94/51/55/1066945155.db2.gz ZOVFPXUVXYNOKQ-PMACEKPBSA-N 0 3 474.606 3.195 20 0 JGADHN COCCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccccc2Cl)N(C)C)C[C@H]1C ZINC001301918342 1066948193 /nfs/dbraw/zinc/94/81/93/1066948193.db2.gz IIXCOIFOOUYEAG-YKSBVNFPSA-N 0 3 498.075 3.377 20 0 JGADHN CC(C)(O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CCc2ccccc2)CC1 ZINC001302362559 1066953159 /nfs/dbraw/zinc/95/31/59/1066953159.db2.gz OATGKUAFZJRNJJ-UHFFFAOYSA-N 0 3 473.419 3.171 20 0 JGADHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(C(C)(C)C)n2C[C@@H](c2ccco2)N2CCCC2)C1 ZINC001301931023 1066968672 /nfs/dbraw/zinc/96/86/72/1066968672.db2.gz OWOHRXZXYMLMMF-NJYVYQBISA-N 0 3 486.661 3.373 20 0 JGADHN CS(=O)(=O)CCCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001302448082 1067046839 /nfs/dbraw/zinc/04/68/39/1067046839.db2.gz GIOIMWGFSNYXOQ-UHFFFAOYSA-N 0 3 496.077 3.114 20 0 JGADHN Cc1occc1C(=O)NC1CCN(c2nnc(CC(C)(C)C)n2CCN2CC=CCC2)CC1 ZINC001304005250 1067047780 /nfs/dbraw/zinc/04/77/80/1067047780.db2.gz DDGXAMGUHYAXRP-UHFFFAOYSA-N 0 3 454.619 3.429 20 0 JGADHN CS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCCN(C2CCCC2)CC1 ZINC001302457151 1067059669 /nfs/dbraw/zinc/05/96/69/1067059669.db2.gz NMRFYQGNUSVVOM-UHFFFAOYSA-N 0 3 452.024 3.098 20 0 JGADHN Cc1cccc(O[C@@H](C)c2nnc(N(C)CCN3CCOCC3)n2CCN2CCCCC2)c1C ZINC001304017753 1067061718 /nfs/dbraw/zinc/06/17/18/1067061718.db2.gz GYLGOOTWKSBJPJ-QHCPKHFHSA-N 0 3 470.662 3.289 20 0 JGADHN CCN1C[C@@H](NC(=O)[C@H]2CCCCN2C(=O)c2ccc(Br)c(F)c2)C(C)(C)C1 ZINC001304041950 1067085390 /nfs/dbraw/zinc/08/53/90/1067085390.db2.gz AHZPXPPEXDXUCG-QZTJIDSGSA-N 0 3 454.384 3.429 20 0 JGADHN CCN1C[C@@H](NC(=O)[C@@H]2CCCCN2C(=O)c2ccc(Br)c(F)c2)C(C)(C)C1 ZINC001304041952 1067085732 /nfs/dbraw/zinc/08/57/32/1067085732.db2.gz AHZPXPPEXDXUCG-ZWKOTPCHSA-N 0 3 454.384 3.429 20 0 JGADHN CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCN2CCCCC2)CC1 ZINC001302511136 1067121270 /nfs/dbraw/zinc/12/12/70/1067121270.db2.gz QPVLVLVWMDHFQD-IFMALSPDSA-N 0 3 460.667 3.383 20 0 JGADHN Cc1c(CN(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[C@@H](C)N2CCCCC2)cnn1C ZINC001304080100 1067125709 /nfs/dbraw/zinc/12/57/09/1067125709.db2.gz XFZAQGHJYMCRPV-LJQANCHMSA-N 0 3 499.685 3.291 20 0 JGADHN CC(C)[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCC(S(C)(=O)=O)CC1)N1CCCC1 ZINC001302526362 1067150547 /nfs/dbraw/zinc/15/05/47/1067150547.db2.gz TWNGQRWCKXZKIZ-HXUWFJFHSA-N 0 3 465.689 3.064 20 0 JGADHN CC(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)N1CCCC1 ZINC001302527818 1067154862 /nfs/dbraw/zinc/15/48/62/1067154862.db2.gz ZSBYCORELLISKF-HBMCJLEFSA-N 0 3 481.707 3.085 20 0 JGADHN CS[C@H](C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001302542634 1067174904 /nfs/dbraw/zinc/17/49/04/1067174904.db2.gz UGXRLYXHKOKCAG-QRVBRYPASA-N 0 3 463.623 3.467 20 0 JGADHN CS[C@@H](C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001302545709 1067179376 /nfs/dbraw/zinc/17/93/76/1067179376.db2.gz UBPFYAOQDJAXQO-KRWDZBQOSA-N 0 3 463.051 3.094 20 0 JGADHN CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)N1CCCN(Cc2ccccc2)CCOCC1 ZINC001304164871 1067211736 /nfs/dbraw/zinc/21/17/36/1067211736.db2.gz AVXBNPGPHHRSDO-LJQANCHMSA-N 0 3 455.546 3.286 20 0 JGADHN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CCCN2CCC[C@H]2C(=O)N(C)C)c1 ZINC001304169007 1067216601 /nfs/dbraw/zinc/21/66/01/1067216601.db2.gz DDMPPFGSIFWRFC-FIXSFTCYSA-N 0 3 498.672 3.030 20 0 JGADHN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCCN2CCC[C@H]2C(=O)N(C)C)c1 ZINC001304169010 1067216624 /nfs/dbraw/zinc/21/66/24/1067216624.db2.gz DDMPPFGSIFWRFC-ZDXQCDESSA-N 0 3 498.672 3.030 20 0 JGADHN CS[C@H](Cn1c([C@H]2CCCO2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1)C(C)(C)C ZINC001302589833 1067227132 /nfs/dbraw/zinc/22/71/32/1067227132.db2.gz BWQFNSADZNGKOR-VXSCBNMQSA-N 0 3 492.734 3.286 20 0 JGADHN Cc1cc(C)cc(OCc2nnc(N3CCN(C(C)(C)C)CC3)n2CCNC(=O)C(C)C)c1 ZINC001304181853 1067230633 /nfs/dbraw/zinc/23/06/33/1067230633.db2.gz GAJLKNLFQVCGHH-UHFFFAOYSA-N 0 3 456.635 3.167 20 0 JGADHN Cc1cc(-c2nnc(N(C)CCS(C)(=O)=O)n2C[C@H](C)N2CCC[C@H](C)C2)c2ccccc2n1 ZINC001304192250 1067243108 /nfs/dbraw/zinc/24/31/08/1067243108.db2.gz NZPYFMUGQRZKCB-ICSRJNTNSA-N 0 3 484.670 3.403 20 0 JGADHN CC(C)c1nnc(N2CC[C@@H](COCc3ccccc3)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001302627290 1067257244 /nfs/dbraw/zinc/25/72/44/1067257244.db2.gz IOJANNBHDDBYHI-HSZRJFAPSA-N 0 3 454.663 3.471 20 0 JGADHN CC(C)c1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001302626953 1067257355 /nfs/dbraw/zinc/25/73/55/1067257355.db2.gz AMGRCLZEGKEAHX-FQEVSTJZSA-N 0 3 477.698 3.121 20 0 JGADHN CC(C)c1nnc(N2CCC(CN3CCOCC3)CC2)n1Cc1c(Cl)c(C(F)(F)F)nn1C ZINC001302629229 1067259573 /nfs/dbraw/zinc/25/95/73/1067259573.db2.gz MQYYZXUEECIEIJ-UHFFFAOYSA-N 0 3 489.974 3.404 20 0 JGADHN CSc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(CCC(C)(C)C)CC2)ccn1 ZINC001302635421 1067264900 /nfs/dbraw/zinc/26/49/00/1067264900.db2.gz MQWJVVNEKZWULX-UHFFFAOYSA-N 0 3 459.664 3.140 20 0 JGADHN CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1Cc1cccc(C(F)(F)F)c1 ZINC001302673170 1067298428 /nfs/dbraw/zinc/29/84/28/1067298428.db2.gz BSQBKCKPZGSEIK-IBGZPJMESA-N 0 3 464.536 3.211 20 0 JGADHN Cc1ccc([C@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)CC(=O)NC(C)(C)C)N2CCCC2)cc1 ZINC001304271090 1067306426 /nfs/dbraw/zinc/30/64/26/1067306426.db2.gz DQOTWARYBBDELJ-QFIPXVFZSA-N 0 3 495.672 3.011 20 0 JGADHN Cc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H]3OCC[C@@H]3C2)N(C)C)cc1 ZINC001304271923 1067307766 /nfs/dbraw/zinc/30/77/66/1067307766.db2.gz GNYFPKRUBLQBIX-VSKRKVRLSA-N 0 3 454.619 3.033 20 0 JGADHN Cc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(c3ccnn3C)CC2)N(C)C)cc1 ZINC001304273244 1067309558 /nfs/dbraw/zinc/30/95/58/1067309558.db2.gz JLXCJZZYMXTHMO-HSZRJFAPSA-N 0 3 478.645 3.145 20 0 JGADHN CSCc1ccc(Cn2c(N3CCN(C(=O)CN4CCCC4)CC3)nnc2C(C)(C)C)cc1 ZINC001302685955 1067311167 /nfs/dbraw/zinc/31/11/67/1067311167.db2.gz AJCBNXJKJNMOOY-UHFFFAOYSA-N 0 3 470.687 3.231 20 0 JGADHN CC(C)c1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001302688694 1067313043 /nfs/dbraw/zinc/31/30/43/1067313043.db2.gz DBXIPIWDLFMCMC-XMMPIXPASA-N 0 3 499.679 3.368 20 0 JGADHN CC(C)c1nnc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1C[C@@H](c1ccccc1)N(C)C ZINC001302690099 1067314878 /nfs/dbraw/zinc/31/48/78/1067314878.db2.gz PKRGIBGUHQZQEE-UPVQGACJSA-N 0 3 481.689 3.227 20 0 JGADHN CC(C)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1Cc1ccnc(OCC(F)(F)F)c1 ZINC001302690108 1067315254 /nfs/dbraw/zinc/31/52/54/1067315254.db2.gz PQHMGGNHOKFUPW-QGZVFWFLSA-N 0 3 482.551 3.475 20 0 JGADHN Cc1ccc([C@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)CCOC(C)(C)C)N(C)C)cc1 ZINC001304277581 1067316255 /nfs/dbraw/zinc/31/62/55/1067316255.db2.gz XRFDGNKSHWOAAK-NRFANRHFSA-N 0 3 456.635 3.377 20 0 JGADHN Cc1ccc([C@H](Cn2c(N3CCCOCC3)nnc2[C@@]2(OC(C)C)CCOC2)N(C)C)cc1 ZINC001304278391 1067318217 /nfs/dbraw/zinc/31/82/17/1067318217.db2.gz ONEZEOHOYSARFP-WIOPSUGQSA-N 0 3 457.619 3.157 20 0 JGADHN CC(C)c1nnc(N2CCN(CCN(C)Cc3ccccc3)CC2)n1C[C@H]1CCOC[C@H]1C ZINC001302697758 1067322735 /nfs/dbraw/zinc/32/27/35/1067322735.db2.gz IDOCMITYHDXDDC-ISKFKSNPSA-N 0 3 454.663 3.328 20 0 JGADHN Cc1ccc(C)c(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@H](C)CN2CCCCC2)c1 ZINC001304286548 1067328269 /nfs/dbraw/zinc/32/82/69/1067328269.db2.gz ACGJMYMXOUWGLA-IRLDBZIGSA-N 0 3 489.686 3.219 20 0 JGADHN Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@@H](C)CN2CCCCC2)c1 ZINC001304286549 1067328416 /nfs/dbraw/zinc/32/84/16/1067328416.db2.gz ACGJMYMXOUWGLA-RBBKRZOGSA-N 0 3 489.686 3.219 20 0 JGADHN Cc1ccc(C)c(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@H]2CCCN(C(C)C)C2)c1 ZINC001304287774 1067330472 /nfs/dbraw/zinc/33/04/72/1067330472.db2.gz KBDHIRYYJSFPEW-VXKWHMMOSA-N 0 3 489.686 3.218 20 0 JGADHN Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@H](C(C)C)N2CCCC2)c1 ZINC001304289121 1067334138 /nfs/dbraw/zinc/33/41/38/1067334138.db2.gz SNIZJUYSFJFJHI-FGZHOGPDSA-N 0 3 489.686 3.218 20 0 JGADHN Cc1ccc(CN2CC[C@H](NC(=O)CC[C@H]3NC(=O)N(c4ccc(Cl)cc4)C3=O)C2)cc1 ZINC001302720742 1067336951 /nfs/dbraw/zinc/33/69/51/1067336951.db2.gz BFIJUCYPDOFYIF-PZJWPPBQSA-N 0 3 454.958 3.244 20 0 JGADHN COc1ccc(C2N=NC(=S)N2CCC(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2)cc1 ZINC001302721618 1067337373 /nfs/dbraw/zinc/33/73/73/1067337373.db2.gz GRHMPEKJAGNZIP-HXUWFJFHSA-N 0 3 451.596 3.332 20 0 JGADHN Cc1ccc(CN2CC[C@@H](NC(=O)Cc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2)cc1 ZINC001302723279 1067338759 /nfs/dbraw/zinc/33/87/59/1067338759.db2.gz MDVHUCVIULLYQM-HSZRJFAPSA-N 0 3 455.624 3.103 20 0 JGADHN Cc1ccc(-c2nnc(N3CCC(C(=O)C(F)(F)F)CC3)n2CCN2CCN(C)C(C)(C)C2)o1 ZINC001304309934 1067357107 /nfs/dbraw/zinc/35/71/07/1067357107.db2.gz GMOVZUDBNBNLGP-UHFFFAOYSA-N 0 3 482.551 3.220 20 0 JGADHN CSCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001302753786 1067358702 /nfs/dbraw/zinc/35/87/02/1067358702.db2.gz MMUYDEUYKQQYOT-MRXNPFEDSA-N 0 3 483.480 3.337 20 0 JGADHN CC(C)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCCC[C@H]2C)CC1 ZINC001302762179 1067363724 /nfs/dbraw/zinc/36/37/24/1067363724.db2.gz PXJOPQBOCCUYIO-CTNGQTDRSA-N 0 3 451.681 3.317 20 0 JGADHN CC(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(C)C)CC1)N1CCCC1 ZINC001302762302 1067363861 /nfs/dbraw/zinc/36/38/61/1067363861.db2.gz QCDNNEKEUPUHEB-SFTDATJTSA-N 0 3 451.681 3.173 20 0 JGADHN CSCCCCn1c(Cc2cccnc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001302767120 1067366332 /nfs/dbraw/zinc/36/63/32/1067366332.db2.gz INOJHZGRXTULLT-JOCHJYFZSA-N 0 3 457.692 3.012 20 0 JGADHN CC(C)[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCC[C@@H]2C)CCO1 ZINC001302769349 1067367839 /nfs/dbraw/zinc/36/78/39/1067367839.db2.gz GWKIMOQFXGLSOK-GHTZIAJQSA-N 0 3 475.037 3.207 20 0 JGADHN CC(C)[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCS1 ZINC001302775941 1067373391 /nfs/dbraw/zinc/37/33/91/1067373391.db2.gz CFRMOFJCSDOPKR-HKBOAZHASA-N 0 3 478.707 3.040 20 0 JGADHN Cc1ccc([C@@H]2CCCN2c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2ccccc2)N(C)C)o1 ZINC001304334541 1067381211 /nfs/dbraw/zinc/38/12/11/1067381211.db2.gz ZHBUOVRLRNWIQI-HLAWJBBLSA-N 0 3 486.642 3.434 20 0 JGADHN CSCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001302799245 1067388273 /nfs/dbraw/zinc/38/82/73/1067388273.db2.gz JYMQSGDBBHSJDO-UHFFFAOYSA-N 0 3 494.612 3.044 20 0 JGADHN Cc1ccc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(N(C)C)CCC[C@H](C)C2)o1 ZINC001304346299 1067388849 /nfs/dbraw/zinc/38/88/49/1067388849.db2.gz NLEDAEAZOABAER-GWJPWWOOSA-N 0 3 463.648 3.229 20 0 JGADHN CC(C)[C@@H]1OCCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001302800409 1067389259 /nfs/dbraw/zinc/38/92/59/1067389259.db2.gz VSLPPOLVANYPSZ-URVUXULASA-N 0 3 460.667 3.239 20 0 JGADHN CC(C)[C@@H]1OCCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001302800410 1067389386 /nfs/dbraw/zinc/38/93/86/1067389386.db2.gz VSLPPOLVANYPSZ-VWPQPMDRSA-N 0 3 460.667 3.239 20 0 JGADHN CC(C)C[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1)N(C)C ZINC001302807662 1067395322 /nfs/dbraw/zinc/39/53/22/1067395322.db2.gz HSGSADYQAPCBJN-FDFHNCONSA-N 0 3 489.686 3.188 20 0 JGADHN CC(C)C[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)N(C)C ZINC001302809630 1067398477 /nfs/dbraw/zinc/39/84/77/1067398477.db2.gz YDXZZDLRPLGQCV-WOJBJXKFSA-N 0 3 470.643 3.093 20 0 JGADHN CC(C)C[C@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](S(C)(=O)=O)C1)N(C)C ZINC001302818646 1067406674 /nfs/dbraw/zinc/40/66/74/1067406674.db2.gz NYGOKOTXNFTZCJ-MOPGFXCFSA-N 0 3 472.659 3.416 20 0 JGADHN Cc1ccc(F)c(CN(C)c2nnc(Cc3ccncc3)n2CCN2CCN(C)C(C)(C)C2)c1 ZINC001304369363 1067409340 /nfs/dbraw/zinc/40/93/40/1067409340.db2.gz PODKRDCELVQKFY-UHFFFAOYSA-N 0 3 465.621 3.374 20 0 JGADHN CC(C)CC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CCCCC3)CC2)CC1 ZINC001302824617 1067413823 /nfs/dbraw/zinc/41/38/23/1067413823.db2.gz PCMPDTPVDCHTDS-IBGZPJMESA-N 0 3 466.696 3.169 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N(C)CC3CC(F)C3)n2C[C@@H]2CCCN2CCCO)cc1C ZINC001304375489 1067415755 /nfs/dbraw/zinc/41/57/55/1067415755.db2.gz MWQQZMPDVWPUPO-AOMIVXANSA-N 0 3 472.609 3.178 20 0 JGADHN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N[C@@H]3CCC[C@H]3N3CCC(O)CC3)cc2CC1 ZINC001302835491 1067422921 /nfs/dbraw/zinc/42/29/21/1067422921.db2.gz QTHYEIKCEDRVAP-DHIUTWEWSA-N 0 3 457.615 3.130 20 0 JGADHN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N[C@H]3CCC[C@@H]3N3CCC(O)CC3)cc2CC1 ZINC001302835494 1067422930 /nfs/dbraw/zinc/42/29/30/1067422930.db2.gz QTHYEIKCEDRVAP-GOTSBHOMSA-N 0 3 457.615 3.130 20 0 JGADHN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N[C@H]3CCC[C@H]3N3CCC(O)CC3)cc2CC1 ZINC001302835499 1067423001 /nfs/dbraw/zinc/42/30/01/1067423001.db2.gz QTHYEIKCEDRVAP-XZOQPEGZSA-N 0 3 457.615 3.130 20 0 JGADHN CC(C)Cc1nnc(N(C)CC(=O)Nc2cccc(Cl)c2)n1CCN1CCN(C)C(C)(C)C1 ZINC001302840101 1067426460 /nfs/dbraw/zinc/42/64/60/1067426460.db2.gz LDZQQKZLQCXFQR-UHFFFAOYSA-N 0 3 476.069 3.231 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCN(C[C@H]4CCOC4)CC3)n2CCSC(C)C)cc1C ZINC001304381610 1067429738 /nfs/dbraw/zinc/42/97/38/1067429738.db2.gz BYNIZUSMRKVWQR-OAQYLSRUSA-N 0 3 486.686 3.447 20 0 JGADHN C[C@@H]1CN(C2CCOCC2)CCN1c1nnc([C@@H]2CCCCO2)n1CCSC(F)(F)F ZINC001302865705 1067446659 /nfs/dbraw/zinc/44/66/59/1067446659.db2.gz DSVMDSQAPPAYEH-WBVHZDCISA-N 0 3 463.570 3.462 20 0 JGADHN C[C@@H]1CN(C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1CCCn1cc(Br)cn1 ZINC001302867430 1067448388 /nfs/dbraw/zinc/44/83/88/1067448388.db2.gz VJJJHYCTHDWCIZ-QGZVFWFLSA-N 0 3 494.482 3.314 20 0 JGADHN C[C@@H]1CN(C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001302867414 1067448433 /nfs/dbraw/zinc/44/84/33/1067448433.db2.gz VAWGPXQBHUZLML-LJQANCHMSA-N 0 3 483.661 3.407 20 0 JGADHN Cc1ccc(OCc2nnc(N(C)[C@@H]3CCSC3)n2CCN2CCN(C)C(C)(C)C2)cc1C ZINC001304396167 1067457891 /nfs/dbraw/zinc/45/78/91/1067457891.db2.gz MCDIEENLDOGCPJ-OAQYLSRUSA-N 0 3 472.703 3.442 20 0 JGADHN Cc1ccc(OCc2nnc(N(C)[C@H]3CCSC3)n2CCN2CCN(C)C(C)(C)C2)cc1C ZINC001304396164 1067457918 /nfs/dbraw/zinc/45/79/18/1067457918.db2.gz MCDIEENLDOGCPJ-NRFANRHFSA-N 0 3 472.703 3.442 20 0 JGADHN CC(C)Cc1nnc(N2CCC(CN3CCOCC3)CC2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001302892119 1067472024 /nfs/dbraw/zinc/47/20/24/1067472024.db2.gz BAZPXLGKTKNHOV-UHFFFAOYSA-N 0 3 478.682 3.329 20 0 JGADHN CC(C)Cc1nnc(N2CCC(OC(C)(C)C)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001302900697 1067483538 /nfs/dbraw/zinc/48/35/38/1067483538.db2.gz CNLNGHJLJCZKJL-OAQYLSRUSA-N 0 3 462.683 3.203 20 0 JGADHN C[C@H]1CN(C2CCOCC2)CCN1c1nnc(Cc2ccccn2)n1CCSC(F)(F)F ZINC001302901940 1067486384 /nfs/dbraw/zinc/48/63/84/1067486384.db2.gz UVNGQFOQWFNZCQ-INIZCTEOSA-N 0 3 470.565 3.206 20 0 JGADHN C[C@H]1CN(C2CCOCC2)CCN1c1nnc(CC(C)(C)C)n1Cc1nccc(C(F)F)n1 ZINC001302902079 1067486476 /nfs/dbraw/zinc/48/64/76/1067486476.db2.gz BCDDTOHOZDJVKJ-INIZCTEOSA-N 0 3 463.577 3.332 20 0 JGADHN C[C@@H]1CN(CCN(C)c2nnc(-c3cnccn3)n2C[C@@H](c2ccccc2Cl)N(C)C)C[C@H](C)O1 ZINC001302905405 1067490237 /nfs/dbraw/zinc/49/02/37/1067490237.db2.gz NWBULTVLRPFDHM-YYDVJCTNSA-N 0 3 499.063 3.237 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(C4CCCCC4)CC3)n2CC(=O)NCC(F)F)cc1 ZINC001304417946 1067491302 /nfs/dbraw/zinc/49/13/02/1067491302.db2.gz IPZSSWLAAWOYPP-UHFFFAOYSA-N 0 3 476.572 3.002 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(CC4CCOCC4)CC3)n2C[C@@](C)(O)C(C)C)cc1C ZINC001304420353 1067495848 /nfs/dbraw/zinc/49/58/48/1067495848.db2.gz UIDDJOGMCWATLW-HHHXNRCGSA-N 0 3 485.673 3.430 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(CC(C)C)CC3)n2CC2(C(N)=O)CCCC2)cc1C ZINC001304421438 1067497122 /nfs/dbraw/zinc/49/71/22/1067497122.db2.gz ZZVHDOPUHULYRB-UHFFFAOYSA-N 0 3 468.646 3.298 20 0 JGADHN Cc1ccc(OCCCn2c(N3CCN(C(=O)CN4CCCC4)CC3)nnc2C(C)(C)C)cc1 ZINC001304423784 1067500858 /nfs/dbraw/zinc/50/08/58/1067500858.db2.gz JSVBTYSNFYJIPX-UHFFFAOYSA-N 0 3 468.646 3.098 20 0 JGADHN CC(C)Cc1nnc(N2CCC[C@@H](CN3CCC(C)CC3)C2)n1CC1(S(C)(=O)=O)CCC1 ZINC001302919238 1067500945 /nfs/dbraw/zinc/50/09/45/1067500945.db2.gz JOOZZKPNJBBEEI-NRFANRHFSA-N 0 3 465.708 3.392 20 0 JGADHN CC(C)Cc1nnc(N2CCCN(Cc3cnn(C)c3)CC2)n1C[C@@H](c1cccs1)N(C)C ZINC001302937057 1067510233 /nfs/dbraw/zinc/51/02/33/1067510233.db2.gz HWZQOUPRTJVGKQ-NRFANRHFSA-N 0 3 470.691 3.287 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C(=O)c3ccccn3)CC2)n1C[C@@H](c1ccccc1)N(C)C ZINC001302939562 1067513432 /nfs/dbraw/zinc/51/34/32/1067513432.db2.gz FOPYFVXUKAFMET-QHCPKHFHSA-N 0 3 461.614 3.137 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C(=O)c3ccccc3[O-])CC2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001302939928 1067513728 /nfs/dbraw/zinc/51/37/28/1067513728.db2.gz QEGOXURVLASAQC-JOCHJYFZSA-N 0 3 468.646 3.265 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCCSc1ccccc1 ZINC001302943654 1067516639 /nfs/dbraw/zinc/51/66/39/1067516639.db2.gz GPSNEILXHHGUJS-UHFFFAOYSA-N 0 3 470.687 3.403 20 0 JGADHN FC(F)(F)SCCn1c(Cc2ccncc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001302944655 1067517431 /nfs/dbraw/zinc/51/74/31/1067517431.db2.gz JTXZHDJRUVYJPP-UHFFFAOYSA-N 0 3 470.565 3.066 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C3CCOCC3)CC2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001302955683 1067528151 /nfs/dbraw/zinc/52/81/51/1067528151.db2.gz BJKAOLHJRWDRHM-NRFANRHFSA-N 0 3 490.693 3.425 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CC(F)(F)Br ZINC001302957641 1067529270 /nfs/dbraw/zinc/52/92/70/1067529270.db2.gz RQCXACNBOJZLHI-CQSZACIVSA-N 0 3 450.372 3.154 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCCN(C)c1ccccc1F ZINC001302964440 1067534994 /nfs/dbraw/zinc/53/49/94/1067534994.db2.gz GFLZKMXCNLCVCR-NRFANRHFSA-N 0 3 458.626 3.301 20 0 JGADHN Cc1cccc(-c2nnc(N3CCN(C(=O)C(C)C)CC3)n2C[C@@H](c2ccsc2)N(C)C)n1 ZINC001304478590 1067557453 /nfs/dbraw/zinc/55/74/53/1067557453.db2.gz WVVAKXQXGWCIIP-NRFANRHFSA-N 0 3 467.643 3.318 20 0 JGADHN Cc1cccc(-c2nnc(N3CCN(C[C@@H]4CCOC4)CC3)n2CCCN(C)C(=O)OC(C)(C)C)n1 ZINC001304480947 1067560673 /nfs/dbraw/zinc/56/06/73/1067560673.db2.gz WDIBOONFZLGFRP-NRFANRHFSA-N 0 3 499.660 3.064 20 0 JGADHN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001303010875 1067565445 /nfs/dbraw/zinc/56/54/45/1067565445.db2.gz YNNNNXNPZQZOSG-YADARESESA-N 0 3 477.053 3.339 20 0 JGADHN Cc1cccc(CCn2c(CNC(=O)c3cccs3)nnc2N2CCN(C(C)(C)C)CC2)n1 ZINC001304493632 1067570661 /nfs/dbraw/zinc/57/06/61/1067570661.db2.gz HODRDRWKBQCDQV-UHFFFAOYSA-N 0 3 467.643 3.136 20 0 JGADHN Cc1cccc(OCc2nnc(N3CCC[C@H](CN4CCC(C)CC4)C3)n2CCS(C)(=O)=O)c1 ZINC001304509074 1067583279 /nfs/dbraw/zinc/58/32/79/1067583279.db2.gz CFGVXXZTZPQGGA-JOCHJYFZSA-N 0 3 489.686 3.158 20 0 JGADHN CC(C)CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCC(O)CC1 ZINC001303038925 1067584243 /nfs/dbraw/zinc/58/42/43/1067584243.db2.gz GFIZYOCEHXYHMW-UHFFFAOYSA-N 0 3 468.646 3.001 20 0 JGADHN Cc1ccccc1-c1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CCN1CC=CCC1 ZINC001304534998 1067605344 /nfs/dbraw/zinc/60/53/44/1067605344.db2.gz LCONEYFWYQOQSI-UHFFFAOYSA-N 0 3 451.619 3.146 20 0 JGADHN Cc1ccccc1-c1nnc(N2CCN(CCOC(C)C)CC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 ZINC001304536668 1067607454 /nfs/dbraw/zinc/60/74/54/1067607454.db2.gz CRMVTXAPUVAMIF-ZEQRLZLVSA-N 0 3 484.689 3.300 20 0 JGADHN Cc1ccccc1-c1nnc(N2CCN(CCOC(C)C)CC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 ZINC001304536604 1067607505 /nfs/dbraw/zinc/60/75/05/1067607505.db2.gz CRMVTXAPUVAMIF-DNQXCXABSA-N 0 3 484.689 3.300 20 0 JGADHN O=C(Nc1ccccn1)c1nnc(N2CCC(C(F)(F)F)CC2)n1CCN1CCCCC1 ZINC001303077750 1067609988 /nfs/dbraw/zinc/60/99/88/1067609988.db2.gz GTUCBTZSCMISIU-UHFFFAOYSA-N 0 3 451.497 3.190 20 0 JGADHN Cc1ccccc1Cc1nnc(N2CC(=O)N(C)C[C@@H]2C)n1C[C@H](c1cccs1)N(C)C ZINC001304550529 1067619699 /nfs/dbraw/zinc/61/96/99/1067619699.db2.gz XTMUOCBKZVLYPB-AZUAARDMSA-N 0 3 452.628 3.209 20 0 JGADHN O=C(NCc1ccc(Cl)cc1)c1nnc(N2CCC=C(Br)C2)n1CCN1CCCC1 ZINC001303087853 1067621781 /nfs/dbraw/zinc/62/17/81/1067621781.db2.gz KUFAZVFNJCPSRF-UHFFFAOYSA-N 0 3 493.837 3.446 20 0 JGADHN Cc1ccccc1Cc1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CCN(C)CC(F)(F)F ZINC001304559388 1067628901 /nfs/dbraw/zinc/62/89/01/1067628901.db2.gz KXBXDQOJFWIYOX-HXUWFJFHSA-N 0 3 494.606 3.361 20 0 JGADHN Cc1ccccc1Cc1nnc(N2CCN(CC3CCOCC3)CC2)n1CCC(=O)NC(C)(C)C ZINC001304562517 1067633046 /nfs/dbraw/zinc/63/30/46/1067633046.db2.gz WVBVZLLYGWDQEZ-UHFFFAOYSA-N 0 3 482.673 3.031 20 0 JGADHN Cc1ccccc1CN1CCN(c2nnc(C(C)(C)C)n2CCCCN2CCOCC2)CC1 ZINC001304569791 1067637402 /nfs/dbraw/zinc/63/74/02/1067637402.db2.gz CGRZLBLSRMCNQF-UHFFFAOYSA-N 0 3 454.663 3.319 20 0 JGADHN Cc1ccccc1O[C@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001304572439 1067641022 /nfs/dbraw/zinc/64/10/22/1067641022.db2.gz GXJYCHKYIOWVGF-YADHBBJMSA-N 0 3 482.673 3.385 20 0 JGADHN Cc1ccccc1OCCCN(C)c1nnc(C(=O)N2CCCC2)n1CCN1CCC[C@@H]1C ZINC001304575187 1067643874 /nfs/dbraw/zinc/64/38/74/1067643874.db2.gz WSLPQUQSAMTTKF-NRFANRHFSA-N 0 3 454.619 3.212 20 0 JGADHN CC(C)CN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(F)(F)c2ccccc2)CC1 ZINC001303177374 1067710178 /nfs/dbraw/zinc/71/01/78/1067710178.db2.gz CKOWEGILEPWAAJ-UHFFFAOYSA-N 0 3 469.540 3.495 20 0 JGADHN CC(C)CN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(Br)s2)CC1 ZINC001303177513 1067710199 /nfs/dbraw/zinc/71/01/99/1067710199.db2.gz DATBNTXZACALHO-UHFFFAOYSA-N 0 3 495.491 3.359 20 0 JGADHN CC(C)CN1CCC[C@@H](Cn2c(Cc3ccccn3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001303178837 1067712360 /nfs/dbraw/zinc/71/23/60/1067712360.db2.gz OFJAOZGGBCMUQH-GGAORHGYSA-N 0 3 488.702 3.035 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccc(Br)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 ZINC001303182884 1067715002 /nfs/dbraw/zinc/71/50/02/1067715002.db2.gz FXVJWRNFKXEUMC-IBGZPJMESA-N 0 3 489.462 3.400 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[C@](C)(O)c2ccccc2)CC1 ZINC001303183648 1067716563 /nfs/dbraw/zinc/71/65/63/1067716563.db2.gz FSDCMTKJRRYYIM-SVBPBHIXSA-N 0 3 485.673 3.395 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(F)(F)Br)CC1 ZINC001303184417 1067717656 /nfs/dbraw/zinc/71/76/56/1067717656.db2.gz MBHVSYYOBAMOBC-SFHVURJKSA-N 0 3 480.398 3.084 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(=O)NCc2ccco2)CC1 ZINC001303184481 1067717962 /nfs/dbraw/zinc/71/79/62/1067717962.db2.gz XEAWHWVLRCGMDP-LJQANCHMSA-N 0 3 484.576 3.245 20 0 JGADHN CC(C)CN1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCCC(=O)N(C)C)CC1 ZINC001303185102 1067719253 /nfs/dbraw/zinc/71/92/53/1067719253.db2.gz TTXDXBSVIAWBNA-UHFFFAOYSA-N 0 3 452.647 3.395 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccc(F)cc3Br)n2CC2(O)CC2)CC1 ZINC001303185603 1067720979 /nfs/dbraw/zinc/72/09/79/1067720979.db2.gz IPFMLBXCUJVIQX-UHFFFAOYSA-N 0 3 452.372 3.150 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3cnccn3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001303188496 1067722790 /nfs/dbraw/zinc/72/27/90/1067722790.db2.gz FJUGVINZQIYHIE-FQEVSTJZSA-N 0 3 484.649 3.160 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3cnn(C)c3)n2CCCCN(C)c2ccccc2)CC1 ZINC001303189391 1067723872 /nfs/dbraw/zinc/72/38/72/1067723872.db2.gz OERWYJKIIWJWDH-UHFFFAOYSA-N 0 3 450.635 3.373 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3cccn3C)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC001303190125 1067724589 /nfs/dbraw/zinc/72/45/89/1067724589.db2.gz YNBHNWJUPDXKJA-UHFFFAOYSA-N 0 3 459.639 3.365 20 0 JGADHN CC(C)CN1CCN(c2nnc(C3CCCC3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 ZINC001303191298 1067725381 /nfs/dbraw/zinc/72/53/81/1067725381.db2.gz XUTWEHDJUFOTKA-UHFFFAOYSA-N 0 3 462.639 3.007 20 0 JGADHN CC(C)CN1CCN(c2nnc(CCOc3ccccc3)n2Cc2ncccc2N(C)C)CC1 ZINC001303195747 1067728862 /nfs/dbraw/zinc/72/88/62/1067728862.db2.gz LAEWHELCCHZTIL-UHFFFAOYSA-N 0 3 463.630 3.187 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCOCC(F)F)CC1 ZINC001303196350 1067730287 /nfs/dbraw/zinc/73/02/87/1067730287.db2.gz IKFBNAANYJFSDZ-FQEVSTJZSA-N 0 3 465.545 3.240 20 0 JGADHN CC(C)CN1CCN(c2nnc(Cc3ccncc3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1=O ZINC001303196910 1067731271 /nfs/dbraw/zinc/73/12/71/1067731271.db2.gz PKRIGTSGOSYHTF-HSZRJFAPSA-N 0 3 479.604 3.011 20 0 JGADHN CC(C)CN1CCN(c2nnc(Cc3ccccc3F)n2CCNC(=O)OC(C)(C)C)CC1 ZINC001303197521 1067731906 /nfs/dbraw/zinc/73/19/06/1067731906.db2.gz VUULFSMFPVCDRA-UHFFFAOYSA-N 0 3 460.598 3.311 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC2=CCCOC2)CC1 ZINC001303199111 1067735331 /nfs/dbraw/zinc/73/53/31/1067735331.db2.gz VBZFKRQDRONHDI-NRFANRHFSA-N 0 3 474.650 3.475 20 0 JGADHN CC(C)CN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 ZINC001303199188 1067735351 /nfs/dbraw/zinc/73/53/51/1067735351.db2.gz XPNAFBACWOQMCC-SIKLNZKXSA-N 0 3 474.675 3.109 20 0 JGADHN CC(C)CN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 ZINC001303199189 1067735448 /nfs/dbraw/zinc/73/54/48/1067735448.db2.gz XPNAFBACWOQMCC-UGKGYDQZSA-N 0 3 474.675 3.109 20 0 JGADHN CC(C)CN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2Cc2ncn(C)n2)CC1 ZINC001303199249 1067735797 /nfs/dbraw/zinc/73/57/97/1067735797.db2.gz ZPWWVGSFFYGBNM-UHFFFAOYSA-N 0 3 479.416 3.119 20 0 JGADHN Cc1nc(CCn2c(CNC(=O)c3cccs3)nnc2N2CCN(CC(C)C)CC2)cs1 ZINC001304685302 1067757545 /nfs/dbraw/zinc/75/75/45/1067757545.db2.gz CVLKDXNGGBYMFK-UHFFFAOYSA-N 0 3 473.672 3.055 20 0 JGADHN CC(C)CO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2cccs2)N(C)C)C1 ZINC001303230515 1067765097 /nfs/dbraw/zinc/76/50/97/1067765097.db2.gz QAWSDVICPIVKEQ-RBUKOAKNSA-N 0 3 460.648 3.016 20 0 JGADHN CC(C)CSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001303252000 1067777958 /nfs/dbraw/zinc/77/79/58/1067777958.db2.gz NSHNOPPFFIMWMY-NRFANRHFSA-N 0 3 451.681 3.458 20 0 JGADHN CC(C)N(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOC2(CCCCC2)C1 ZINC001303271008 1067799498 /nfs/dbraw/zinc/79/94/98/1067799498.db2.gz OQSMSHAKYSKZQU-UHFFFAOYSA-N 0 3 475.659 3.228 20 0 JGADHN CC(C)[N@H+](C)CCn1c(CC2CCCC2)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001303276241 1067803373 /nfs/dbraw/zinc/80/33/73/1067803373.db2.gz CWORIHJVTHHDLY-UHFFFAOYSA-N 0 3 454.619 3.019 20 0 JGADHN CC(C)[N@@H+](C)CCn1c(CC2CCCC2)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC001303276241 1067803384 /nfs/dbraw/zinc/80/33/84/1067803384.db2.gz CWORIHJVTHHDLY-UHFFFAOYSA-N 0 3 454.619 3.019 20 0 JGADHN CC(C)N1CCC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC(F)(F)F)CC2CC2)C1 ZINC001303303858 1067829744 /nfs/dbraw/zinc/82/97/44/1067829744.db2.gz JUMUAGVASGSELF-RTBURBONSA-N 0 3 491.624 3.469 20 0 JGADHN CC(C)N1CCC[C@@H](Cn2c(C3CCCC3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001303305956 1067834249 /nfs/dbraw/zinc/83/42/49/1067834249.db2.gz XBBFYPXHNYIWAK-CTNGQTDRSA-N 0 3 451.681 3.460 20 0 JGADHN CC(C)N1CCCN(c2nnc(-c3ccc(Cl)nc3)n2CC[S@@](=O)C(C)(C)C)CC1 ZINC001303308005 1067836030 /nfs/dbraw/zinc/83/60/30/1067836030.db2.gz NGEQYKVPRDBICS-SSEXGKCCSA-N 0 3 453.056 3.461 20 0 JGADHN CC(C)N1CCN([C@@H]2CCN(c3nnc(-c4ccc[nH]4)n3CC(C)(C)C(F)(F)F)C2)CC1 ZINC001303317008 1067844888 /nfs/dbraw/zinc/84/48/88/1067844888.db2.gz MKRAIGRHFRXPAF-QGZVFWFLSA-N 0 3 453.557 3.466 20 0 JGADHN CC(C)N1CCN([C@@H]2CCN(c3nnc(CC(C)(C)C)n3C[C@](C)(O)c3ccsc3)C2)CC1 ZINC001303317765 1067847485 /nfs/dbraw/zinc/84/74/85/1067847485.db2.gz CRCCYECCGBKRBJ-BWKNWUBXSA-N 0 3 474.719 3.441 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N3CCN(CCC(C)(C)C)CC3)n2Cc2ncccc2C)n1 ZINC001304762617 1067850162 /nfs/dbraw/zinc/85/01/62/1067850162.db2.gz CXEOBBKXYWXYEZ-UHFFFAOYSA-N 0 3 450.635 3.450 20 0 JGADHN CC(C)N1CCN([C@H]2CCN(c3nnc([C@@H]4CCCCO4)n3CCSC(F)(F)F)C2)CC1 ZINC001303318595 1067850115 /nfs/dbraw/zinc/85/01/15/1067850115.db2.gz VQIFNNVWZSKWRB-ROUUACIJSA-N 0 3 476.613 3.377 20 0 JGADHN CC(C)N1CCN([C@H]2CCN(c3nnc(C4CCC4)n3CCCNC(=O)OC(C)(C)C)C2)CC1 ZINC001303318659 1067850998 /nfs/dbraw/zinc/85/09/98/1067850998.db2.gz XNZPYRQOCGUMBN-NRFANRHFSA-N 0 3 475.682 3.065 20 0 JGADHN CC(C)NC(=O)c1nnc(N(C)CCc2ccc(Cl)cc2)n1C[C@]1(N(C)C)CCSC1 ZINC001303340741 1067869086 /nfs/dbraw/zinc/86/90/86/1067869086.db2.gz ZYWBJDABLCMYMN-JOCHJYFZSA-N 0 3 465.067 3.186 20 0 JGADHN CC(C)NC(=O)c1nnc(N(C)CCC(F)(F)F)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001303340746 1067869668 /nfs/dbraw/zinc/86/96/68/1067869668.db2.gz ZZNQVQMHAVBHEE-LJQANCHMSA-N 0 3 482.551 3.096 20 0 JGADHN Cc1nnc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCN(CC(C)C)CC2)s1 ZINC001304785510 1067880546 /nfs/dbraw/zinc/88/05/46/1067880546.db2.gz UEDXCKMFKOTRCI-UHFFFAOYSA-N 0 3 462.023 3.497 20 0 JGADHN Cc1nnc(N(C)Cc2cccc(C(F)(F)F)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001304796508 1067884402 /nfs/dbraw/zinc/88/44/02/1067884402.db2.gz VDNCQAZSPBWVFO-IBGZPJMESA-N 0 3 452.525 3.184 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1C1CC(C(C)(C)C)C1 ZINC001303373515 1067904133 /nfs/dbraw/zinc/90/41/33/1067904133.db2.gz XASXJDAQJPQMOP-NYLDSWQDSA-N 0 3 459.683 3.018 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1C1CC(C(C)(C)C)C1 ZINC001303373514 1067904201 /nfs/dbraw/zinc/90/42/01/1067904201.db2.gz XASXJDAQJPQMOP-KBWCOIMZSA-N 0 3 459.683 3.018 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CC[C@@]3(CCSC3)C2)n1C[C@@H](C)N(C)Cc1ccccc1 ZINC001303378648 1067908233 /nfs/dbraw/zinc/90/82/33/1067908233.db2.gz INCYVMBNCJPHTQ-NTKDMRAZSA-N 0 3 456.660 3.270 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCCN(Cc3ccccc3)CC2)n1C[C@](C)(O)c1cccs1 ZINC001303399002 1067927588 /nfs/dbraw/zinc/92/75/88/1067927588.db2.gz WCPUPLXYTYZEGY-VWLOTQADSA-N 0 3 482.654 3.098 20 0 JGADHN Cc1noc(C)c1CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCCC1 ZINC001304882741 1067927795 /nfs/dbraw/zinc/92/77/95/1067927795.db2.gz WFGRPGZELOYIQT-UHFFFAOYSA-N 0 3 472.615 3.076 20 0 JGADHN Cc1noc(C)c1CN(C)c1nnc(Cc2ccc(F)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001304885411 1067929358 /nfs/dbraw/zinc/92/93/58/1067929358.db2.gz XLMCXYYSCADPIF-QHCPKHFHSA-N 0 3 497.619 3.192 20 0 JGADHN Cc1noc(C)c1CN(C)c1nnc(COc2ccc(F)cc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001304886260 1067930460 /nfs/dbraw/zinc/93/04/60/1067930460.db2.gz JWRSWLGSGZZGFJ-UHFFFAOYSA-N 0 3 485.608 3.263 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCN(C3CCCCC3)CC2)n1Cc1ccc(C(C)(C)O)cc1 ZINC001303405672 1067933860 /nfs/dbraw/zinc/93/38/60/1067933860.db2.gz ZBNGLDDEEIASKC-UHFFFAOYSA-N 0 3 468.646 3.147 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCN(CC3CCOCC3)CC2)n1Cc1cccc(C(C)(F)F)c1 ZINC001303409773 1067936676 /nfs/dbraw/zinc/93/66/76/1067936676.db2.gz LZWPBKYSISSSHD-UHFFFAOYSA-N 0 3 490.599 3.125 20 0 JGADHN CC(C)NC(=O)CCn1c(-c2ccc(F)cc2Br)nnc1N1CCN(CC2CC2)CC1 ZINC001303425169 1067949610 /nfs/dbraw/zinc/94/96/10/1067949610.db2.gz GYIOCTWMKSDTAS-UHFFFAOYSA-N 0 3 493.425 3.293 20 0 JGADHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2cccnc2)n1CC(C)(C)N1C[C@H](C)C[C@H](C)C1 ZINC001304912916 1067956791 /nfs/dbraw/zinc/95/67/91/1067956791.db2.gz RIFXWGUNFWBIRM-MHTWAQMVSA-N 0 3 490.718 3.278 20 0 JGADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)C[C@@H](C)C2)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001304915531 1067959418 /nfs/dbraw/zinc/95/94/18/1067959418.db2.gz DFPXYJVOCDZZCD-VAMGGRTRSA-N 0 3 488.702 3.208 20 0 JGADHN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)C[C@@H](C)C2)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001304915529 1067959463 /nfs/dbraw/zinc/95/94/63/1067959463.db2.gz DFPXYJVOCDZZCD-AQNXPRMDSA-N 0 3 488.702 3.208 20 0 JGADHN CC(C)NC(=O)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN(C)Cc1ccc(F)cc1 ZINC001303445176 1067966408 /nfs/dbraw/zinc/96/64/08/1067966408.db2.gz ZEBAHFCWLGWNTB-FYYLOGMGSA-N 0 3 488.652 3.429 20 0 JGADHN CC(C)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2C[C@H](C)C[C@H](C)C2)CC1 ZINC001304928397 1067976133 /nfs/dbraw/zinc/97/61/33/1067976133.db2.gz NOKNOPWBTKHNHA-RZUBCFFCSA-N 0 3 465.708 3.421 20 0 JGADHN C[C@@H]1C[C@H](c2ccccc2)CN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN(C)C ZINC001304929224 1067977505 /nfs/dbraw/zinc/97/75/05/1067977505.db2.gz BAYPDZKBTXBAGR-NRSPTQNISA-N 0 3 459.660 3.150 20 0 JGADHN CC(C)O[C@@]1(c2nnc(N(C)CC3CCOCC3)n2C[C@H](c2ccccc2)N(C)C)CCOC1 ZINC001303484294 1068006967 /nfs/dbraw/zinc/00/69/67/1068006967.db2.gz OQIDMWHHNDQPOW-BVAGGSTKSA-N 0 3 471.646 3.484 20 0 JGADHN CC(C)O[C@]1(c2nnc(N3CCC(C(=O)c4ccccc4)CC3)n2C[C@H](C)N(C)C)CCOC1 ZINC001303490396 1068015314 /nfs/dbraw/zinc/01/53/14/1068015314.db2.gz SUTKTNUZWMBMKX-RXFWQSSRSA-N 0 3 469.630 3.368 20 0 JGADHN C[C@H]1CCc2sc(-c3nnc(N(C)[C@H]4CCS(=O)(=O)C4)n3CC(C)(C)CN(C)C)cc2C1 ZINC001304980069 1068018568 /nfs/dbraw/zinc/01/85/68/1068018568.db2.gz CMTIMQFCVAGMMS-WMZOPIPTSA-N 0 3 479.716 3.343 20 0 JGADHN C[C@H]1CCc2sc(-c3nnc(N(C)[C@@H]4CCS(=O)(=O)C4)n3CC(C)(C)CN(C)C)cc2C1 ZINC001304980067 1068018647 /nfs/dbraw/zinc/01/86/47/1068018647.db2.gz CMTIMQFCVAGMMS-FUHWJXTLSA-N 0 3 479.716 3.343 20 0 JGADHN CC(C)N(C)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001304981182 1068021054 /nfs/dbraw/zinc/02/10/54/1068021054.db2.gz NOSUXBSHSNTSRS-AEFFLSMTSA-N 0 3 465.689 3.095 20 0 JGADHN CC(C)O[C@@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2CCN(C)C(=O)OC(C)(C)C)CCOC1 ZINC001303500568 1068028042 /nfs/dbraw/zinc/02/80/42/1068028042.db2.gz BMCPIOQGBTYKAB-VWLOTQADSA-N 0 3 494.681 3.106 20 0 JGADHN CC(C)O[C@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@H]2CSCCS2)CCOC1 ZINC001303501451 1068029898 /nfs/dbraw/zinc/02/98/98/1068029898.db2.gz GQJGMJBXKKJUCH-PGRDOPGGSA-N 0 3 469.721 3.088 20 0 JGADHN C[C@@H]1CCC[C@@](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(OC(C)(C)C)CC2)(N(C)C)C1 ZINC001304989851 1068032246 /nfs/dbraw/zinc/03/22/46/1068032246.db2.gz SGZSYJVTEVQAFE-OHUGHZGNSA-N 0 3 495.734 3.475 20 0 JGADHN C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2CCCC[C@H]2C)C[C@H](C)O1 ZINC001305015007 1068056969 /nfs/dbraw/zinc/05/69/69/1068056969.db2.gz BJHQPIAKKDQEKZ-AQNXPRMDSA-N 0 3 475.659 3.227 20 0 JGADHN CC(C)OC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccccc2)N(C)C)CC1 ZINC001303530696 1068059748 /nfs/dbraw/zinc/05/97/48/1068059748.db2.gz WLJJEHBCTAOUNS-QFIPXVFZSA-N 0 3 454.619 3.097 20 0 JGADHN C[C@H]1CCCN(C(C)(C)Cn2c(-c3ccccc3F)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001305022837 1068074724 /nfs/dbraw/zinc/07/47/24/1068074724.db2.gz OEFIAVRKHKTTGC-ZWKOTPCHSA-N 0 3 463.623 3.218 20 0 JGADHN C[C@@H]1CCCN(C(C)(C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001305024557 1068079197 /nfs/dbraw/zinc/07/91/97/1068079197.db2.gz ZOVMFCLBIUUALT-AEFFLSMTSA-N 0 3 481.066 3.127 20 0 JGADHN CC(C)OCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001303567523 1068090776 /nfs/dbraw/zinc/09/07/76/1068090776.db2.gz UKKTXIXAMKVWNU-LJQANCHMSA-N 0 3 461.582 3.111 20 0 JGADHN CC(C)OCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001303567678 1068091251 /nfs/dbraw/zinc/09/12/51/1068091251.db2.gz WPNWWGRJDKRUSI-QFIPXVFZSA-N 0 3 474.625 3.026 20 0 JGADHN C[C@H]1CCCN(CCn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2cc(Cl)ccn2)C1 ZINC001305040956 1068095146 /nfs/dbraw/zinc/09/51/46/1068095146.db2.gz AKDGIYOAWNSKLK-KRWDZBQOSA-N 0 3 468.993 3.342 20 0 JGADHN C[C@@H]1CCCN(CCn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2cc(Cl)ccn2)C1 ZINC001305040957 1068095467 /nfs/dbraw/zinc/09/54/67/1068095467.db2.gz AKDGIYOAWNSKLK-QGZVFWFLSA-N 0 3 468.993 3.342 20 0 JGADHN C[C@@H]1CCCN(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001305043689 1068100349 /nfs/dbraw/zinc/10/03/49/1068100349.db2.gz SKFWKQCFVUIRFN-IAGOWNOFSA-N 0 3 465.524 3.436 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCC(OCc3ccccc3)CC2)n1CCN1CCC[C@@H](C)C1 ZINC001305044200 1068100829 /nfs/dbraw/zinc/10/08/29/1068100829.db2.gz XLJIMMCSZVGGOJ-OAQYLSRUSA-N 0 3 468.646 3.334 20 0 JGADHN CC(C)SCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C(C)C)CC1 ZINC001303582271 1068105828 /nfs/dbraw/zinc/10/58/28/1068105828.db2.gz AQKAWRMGGXVNFA-UHFFFAOYSA-N 0 3 485.746 3.315 20 0 JGADHN C[C@@H]1CCCN(CCn2c([C@H]3CCCOC3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)C1 ZINC001305049765 1068110356 /nfs/dbraw/zinc/11/03/56/1068110356.db2.gz TUCNEOKCBRJDQW-AEFFLSMTSA-N 0 3 457.541 3.252 20 0 JGADHN C[C@H](c1ccc(F)c(F)c1)N(C)c1nnc([C@H]2CCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001303594691 1068115031 /nfs/dbraw/zinc/11/50/31/1068115031.db2.gz PYFQINAZYRCSPC-LZNRXBQRSA-N 0 3 490.599 3.200 20 0 JGADHN C[C@H]1CCCN1c1nnc(CCCc2ccccc2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001305059451 1068122918 /nfs/dbraw/zinc/12/29/18/1068122918.db2.gz PBIWRPGFXVUNQZ-GMAHTHKFSA-N 0 3 452.647 3.385 20 0 JGADHN CN1CC[C@@H]2CC[C@H](C1)N2C(=O)C1(NC(=O)NCc2cccc(Br)c2)CCCC1 ZINC001303598728 1068124698 /nfs/dbraw/zinc/12/46/98/1068124698.db2.gz GHIKVZALMRNHJB-RBUKOAKNSA-N 0 3 463.420 3.256 20 0 JGADHN CCOC(=O)c1cnn(-c2ccc(C(=O)N3[C@@H]4CC[C@H]3CCN(C)C4)cc2)c1C(F)(F)F ZINC001303598772 1068124842 /nfs/dbraw/zinc/12/48/42/1068124842.db2.gz IXJJKWAUTHDJDD-DOTOQJQBSA-N 0 3 450.461 3.377 20 0 JGADHN C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(F)(F)F)CC1)N1CCC(C)CC1 ZINC001305062632 1068130621 /nfs/dbraw/zinc/13/06/21/1068130621.db2.gz DCTFJSUBKMQKAD-QGZVFWFLSA-N 0 3 456.557 3.413 20 0 JGADHN CC(C)NC(=O)c1nnc(N(C)CCOc2ccc(F)cc2)n1C[C@@H](C)N1CCC(C)CC1 ZINC001305063644 1068133332 /nfs/dbraw/zinc/13/33/32/1068133332.db2.gz IMVXDADRGPHKCD-LJQANCHMSA-N 0 3 460.598 3.191 20 0 JGADHN C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)N1CCC(C)CC1 ZINC001305063985 1068134618 /nfs/dbraw/zinc/13/46/18/1068134618.db2.gz JSNAHHKETJYIKJ-OALUTQOASA-N 0 3 486.583 3.182 20 0 JGADHN C[C@H](c1ccccc1)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCN(C)C(C)(C)C1 ZINC001303610626 1068145163 /nfs/dbraw/zinc/14/51/63/1068145163.db2.gz OEMMATUOWQATDC-HXUWFJFHSA-N 0 3 476.629 3.149 20 0 JGADHN C[C@@H](c1ccccc1F)N(C)c1nnc([C@H]2CCCO2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001303613257 1068147538 /nfs/dbraw/zinc/14/75/38/1068147538.db2.gz KOLSLBAANPUSRN-VLCRHTCISA-N 0 3 472.609 3.409 20 0 JGADHN CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001305090854 1068160089 /nfs/dbraw/zinc/16/00/89/1068160089.db2.gz OWIRHUBSQSTWQZ-JOCHJYFZSA-N 0 3 474.600 3.326 20 0 JGADHN CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001305090856 1068160121 /nfs/dbraw/zinc/16/01/21/1068160121.db2.gz OWIRHUBSQSTWQZ-QFIPXVFZSA-N 0 3 474.600 3.326 20 0 JGADHN CC1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCCc2ccccc2)CC1 ZINC001305104760 1068172609 /nfs/dbraw/zinc/17/26/09/1068172609.db2.gz XEBUCZDPEHNFBR-HSZRJFAPSA-N 0 3 473.687 3.371 20 0 JGADHN CC1CCN(CCn2c(C(=O)Nc3ccccn3)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001305108510 1068178082 /nfs/dbraw/zinc/17/80/82/1068178082.db2.gz XSJUCNJBTBGJBL-UHFFFAOYSA-N 0 3 463.508 3.356 20 0 JGADHN C[C@@H](CC(N)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](c1ccco1)N1CCCC1 ZINC001303651683 1068181143 /nfs/dbraw/zinc/18/11/43/1068181143.db2.gz CZLXXZOHRRYPBH-LMVRJCEZSA-N 0 3 472.634 3.327 20 0 JGADHN CC(C)N1CCN(c2nnc(COc3ccccc3F)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001305112385 1068186857 /nfs/dbraw/zinc/18/68/57/1068186857.db2.gz LGDUVXZCRUXVLD-SFTDATJTSA-N 0 3 488.652 3.414 20 0 JGADHN C[C@@H](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)(C)C)CC1)c1ccccc1 ZINC001303662998 1068193996 /nfs/dbraw/zinc/19/39/96/1068193996.db2.gz JUAYGMJUPMUGLM-OALUTQOASA-N 0 3 462.664 3.003 20 0 JGADHN C[C@@H]1CN(C(C)(C)Cn2c(-c3cccnc3)nnc2N(C)CC(C)(C)CN2CCOCC2)C[C@@H](C)O1 ZINC001305115650 1068194515 /nfs/dbraw/zinc/19/45/15/1068194515.db2.gz ZGZHARQYGFPUHS-FGZHOGPDSA-N 0 3 499.704 3.023 20 0 JGADHN C[C@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1F)N1CCCCC1 ZINC001303668796 1068203481 /nfs/dbraw/zinc/20/34/81/1068203481.db2.gz PWSDVBFHPFPJOE-UYAOXDASSA-N 0 3 463.623 3.220 20 0 JGADHN C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2ccccn2)nnc1N1CCN(CC2CC2)CC1 ZINC001303671670 1068205909 /nfs/dbraw/zinc/20/59/09/1068205909.db2.gz GKNOZSYOQUOWLI-IBGZPJMESA-N 0 3 469.634 3.375 20 0 JGADHN C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2N(C)CCCC2(C)C)C[C@H](C(F)(F)F)O1 ZINC001305123536 1068208232 /nfs/dbraw/zinc/20/82/32/1068208232.db2.gz GVPVOSYFNZVHSS-BRWVUGGUSA-N 0 3 495.550 3.202 20 0 JGADHN C[C@@H](CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(N(C)C)CCSC1)c1ccccc1 ZINC001303674758 1068213057 /nfs/dbraw/zinc/21/30/57/1068213057.db2.gz PPEPHZYWLPEWJJ-CYFREDJKSA-N 0 3 456.660 3.191 20 0 JGADHN C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c(Cc2ccncc2)nnc1N1CCN(CC2CC2)CC1 ZINC001303675482 1068214394 /nfs/dbraw/zinc/21/43/94/1068214394.db2.gz UCSWWDCNYIGPEU-FQEVSTJZSA-N 0 3 483.661 3.299 20 0 JGADHN C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2cccc(Cl)c2)C1)N(C)C ZINC001303685864 1068223968 /nfs/dbraw/zinc/22/39/68/1068223968.db2.gz FALAAUYZFLEOIT-QFBILLFUSA-N 0 3 469.977 3.107 20 0 JGADHN CC(C)N1CCC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCS[C@H](C)C2)C1 ZINC001305141930 1068237945 /nfs/dbraw/zinc/23/79/45/1068237945.db2.gz CAXOETXLMLMFHJ-RTBURBONSA-N 0 3 477.700 3.411 20 0 JGADHN C[C@H](Cn1c(-c2ccccc2)nnc1N1CCN(C[C@H]2CCOC2)CC1)N(C)C(=O)OC(C)(C)C ZINC001303698687 1068241517 /nfs/dbraw/zinc/24/15/17/1068241517.db2.gz FDAKIHSMZNNVFC-NHCUHLMSSA-N 0 3 484.645 3.359 20 0 JGADHN C[C@H](Cn1c(CC2CC2)nnc1N1CCN(CC2CCOCC2)CC1)N(C)C(=O)OC(C)(C)C ZINC001303733265 1068289428 /nfs/dbraw/zinc/28/94/28/1068289428.db2.gz SSWDVFCLTAIASP-LJQANCHMSA-N 0 3 476.666 3.035 20 0 JGADHN C[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CCN(C(C)(C)C)CC1)N1CCOCC1 ZINC001303734121 1068290209 /nfs/dbraw/zinc/29/02/09/1068290209.db2.gz BUCFJOIYBJDVHM-QFIPXVFZSA-N 0 3 454.663 3.095 20 0 JGADHN C[C@H](Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1C(=O)NCc1ccc(Cl)cc1)N(C)C ZINC001303743047 1068302014 /nfs/dbraw/zinc/30/20/14/1068302014.db2.gz LHMIFJFRLKZELW-CXAGYDPISA-N 0 3 478.935 3.332 20 0 JGADHN C[C@H](CN1CCCC1)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1cc(F)ccc1F ZINC001303744354 1068304421 /nfs/dbraw/zinc/30/44/21/1068304421.db2.gz HINUXJAISMVTOK-SQNIBIBYSA-N 0 3 481.613 3.388 20 0 JGADHN C[C@H](CN1CCCC1)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)c(Cl)c1 ZINC001303745289 1068306241 /nfs/dbraw/zinc/30/62/41/1068306241.db2.gz NBUIYZMRPBSIAU-SJLPKXTDSA-N 0 3 484.041 3.341 20 0 JGADHN C[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CCCO1 ZINC001305187906 1068306838 /nfs/dbraw/zinc/30/68/38/1068306838.db2.gz GBPXLWPNCJDTCY-UGKGYDQZSA-N 0 3 489.064 3.080 20 0 JGADHN C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCN2CCN(C)C(C)(C)C2)C[C@@H](C(F)(F)F)O1 ZINC001305190139 1068311032 /nfs/dbraw/zinc/31/10/32/1068311032.db2.gz DWISRZFSVJUGFX-PXNSSMCTSA-N 0 3 498.569 3.190 20 0 JGADHN C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCN2CC=CCC2)C[C@@H](C(F)(F)F)O1 ZINC001305191749 1068313864 /nfs/dbraw/zinc/31/38/64/1068313864.db2.gz MBVZFRRERAVVCW-LPHOPBHVSA-N 0 3 453.484 3.426 20 0 JGADHN C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)CS(C)(=O)=O)CN1CCCCC1 ZINC001303753612 1068315304 /nfs/dbraw/zinc/31/53/04/1068315304.db2.gz CWFQOWOVIYUUNB-PLACYPQZSA-N 0 3 483.723 3.188 20 0 JGADHN C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(F)(F)F)C1)CN1CCCCC1 ZINC001303753271 1068315383 /nfs/dbraw/zinc/31/53/83/1068315383.db2.gz MMFPTWUMJQVDFK-SQNIBIBYSA-N 0 3 477.597 3.081 20 0 JGADHN C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)CN1CCCCC1 ZINC001303753611 1068315407 /nfs/dbraw/zinc/31/54/07/1068315407.db2.gz CWFQOWOVIYUUNB-DOIPELPJSA-N 0 3 483.723 3.188 20 0 JGADHN C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)CS(C)(=O)=O)CN1CCCCC1 ZINC001303753613 1068315751 /nfs/dbraw/zinc/31/57/51/1068315751.db2.gz CWFQOWOVIYUUNB-UWHLTILDSA-N 0 3 483.723 3.188 20 0 JGADHN CC(C)N1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](C)CN2CCOCC2)CC1 ZINC001303753975 1068316370 /nfs/dbraw/zinc/31/63/70/1068316370.db2.gz GBZKWMAIDCGKEY-IBGZPJMESA-N 0 3 491.478 3.206 20 0 JGADHN C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCN2CCN(C)C(C)(C)C2)C[C@H](C)S1 ZINC001305193810 1068317829 /nfs/dbraw/zinc/31/78/29/1068317829.db2.gz XNUXCLXONNAVLH-KDURUIRLSA-N 0 3 460.667 3.364 20 0 JGADHN C[C@@H]1CN(c2nnc(CCCc3ccccc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CCS1 ZINC001305204272 1068328746 /nfs/dbraw/zinc/32/87/46/1068328746.db2.gz OXPUZIXIZINZSN-GGAORHGYSA-N 0 3 484.714 3.338 20 0 JGADHN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(C2CCCC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001303765950 1068337730 /nfs/dbraw/zinc/33/77/30/1068337730.db2.gz NZEFDTUFLTUPHV-UXHICEINSA-N 0 3 476.666 3.255 20 0 JGADHN C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(Br)c2)n1CCCN1CCCC1 ZINC001303772489 1068350966 /nfs/dbraw/zinc/35/09/66/1068350966.db2.gz ZUBLHDREUUFUMI-INIZCTEOSA-N 0 3 484.464 3.063 20 0 JGADHN C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccccc2Br)n1CC1(N(C)C)CCCC1 ZINC001303775275 1068353550 /nfs/dbraw/zinc/35/35/50/1068353550.db2.gz UQVMISFUCRXNTC-INIZCTEOSA-N 0 3 498.491 3.451 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(C(C)(F)F)c2)CC1 ZINC001303783169 1068363399 /nfs/dbraw/zinc/36/33/99/1068363399.db2.gz OXPBMXJGSDPYCL-UHFFFAOYSA-N 0 3 460.573 3.481 20 0 JGADHN C[C@@H](N1CCN(c2nnc(CC3CCCC3)n2CCN2CCN(C)C(C)(C)C2)CC1)C(F)(F)F ZINC001303792778 1068376963 /nfs/dbraw/zinc/37/69/63/1068376963.db2.gz LRLIWBUZCHJWON-LJQANCHMSA-N 0 3 485.643 3.110 20 0 JGADHN C[C@H]1COCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C1CCCCC1)N(C)C ZINC001305231543 1068377639 /nfs/dbraw/zinc/37/76/39/1068377639.db2.gz WMYGUIVGCFERSI-AVRDEDQJSA-N 0 3 475.659 3.084 20 0 JGADHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCN2CC=CCC2)C1 ZINC001303794455 1068379832 /nfs/dbraw/zinc/37/98/32/1068379832.db2.gz BPJJMMILPUPDKR-ACRUOGEOSA-N 0 3 474.650 3.174 20 0 JGADHN C[C@@H]1CSCCN1c1nnc(Cc2c(F)cccc2F)n1CCN1CCN(C)C(C)(C)C1 ZINC001305236546 1068386011 /nfs/dbraw/zinc/38/60/11/1068386011.db2.gz HUIJEXRCGLUKLB-QGZVFWFLSA-N 0 3 464.630 3.115 20 0 JGADHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCN2CC=CCC2)C1 ZINC001303799083 1068391777 /nfs/dbraw/zinc/39/17/77/1068391777.db2.gz RXRZKJUHLRDEJE-NHCUHLMSSA-N 0 3 481.645 3.265 20 0 JGADHN C[C@H]1OCC[C@]1(O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001305248194 1068404476 /nfs/dbraw/zinc/40/44/76/1068404476.db2.gz BHUVDPGGYAIIRH-CLOONOSVSA-N 0 3 475.609 3.094 20 0 JGADHN C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC2CCCCC2)n1C[C@H](c1ccccc1)N(C)C ZINC001303816394 1068428993 /nfs/dbraw/zinc/42/89/93/1068428993.db2.gz NOXIMCMVYBIPOV-GHTZIAJQSA-N 0 3 462.664 3.208 20 0 JGADHN C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC2CCCC2)n1C[C@@H](c1cccs1)N1CCCC1 ZINC001303817850 1068430886 /nfs/dbraw/zinc/43/08/86/1068430886.db2.gz UCENLLVKCUTFOF-HKUYNNGSSA-N 0 3 480.704 3.413 20 0 JGADHN CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@H](c2cccc(OC)c2)N(C)C)C1 ZINC001305264169 1068440507 /nfs/dbraw/zinc/44/05/07/1068440507.db2.gz KORGTVNQLNOCSU-NZQKXSOJSA-N 0 3 479.629 3.090 20 0 JGADHN CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001305289386 1068492508 /nfs/dbraw/zinc/49/25/08/1068492508.db2.gz YEDFJLBAAXWSEG-UHFFFAOYSA-N 0 3 467.666 3.373 20 0 JGADHN CCC(C)(C)Cn1c(N2CCN(C3CCOCC3)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 ZINC001305290347 1068493159 /nfs/dbraw/zinc/49/31/59/1068493159.db2.gz SEKHAIUQEOKUEH-CPJSRVTESA-N 0 3 463.667 3.444 20 0 JGADHN CC[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC001305292053 1068495452 /nfs/dbraw/zinc/49/54/52/1068495452.db2.gz DKEIVHZARDNWLO-SANMLTNESA-N 0 3 498.075 3.409 20 0 JGADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCCCC3)CC2)n1CC(F)(F)c1ccccc1 ZINC001303862128 1068500809 /nfs/dbraw/zinc/50/08/09/1068500809.db2.gz IIGXFBKZDPXNFA-SFHVURJKSA-N 0 3 496.628 3.135 20 0 JGADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CCCCC3)CC2)n1Cc1cccc(C(F)F)c1 ZINC001303862650 1068500976 /nfs/dbraw/zinc/50/09/76/1068500976.db2.gz JOIJTRJRPRAWLZ-KRWDZBQOSA-N 0 3 496.628 3.329 20 0 JGADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1Cc1ccc(Cl)s1 ZINC001303865258 1068502395 /nfs/dbraw/zinc/50/23/95/1068502395.db2.gz POSYCTSNICRGFP-OAHLLOKOSA-N 0 3 489.111 3.210 20 0 JGADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1Cc1cccc2cccnc21 ZINC001303865273 1068502944 /nfs/dbraw/zinc/50/29/44/1068502944.db2.gz PUXIGLUEORTAOL-IBGZPJMESA-N 0 3 499.685 3.043 20 0 JGADHN CC[C@](C)(O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001305308801 1068517407 /nfs/dbraw/zinc/51/74/07/1068517407.db2.gz AQBGTWKGHNDMRB-SANMLTNESA-N 0 3 471.646 3.184 20 0 JGADHN CC[C@@](C)(O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001305313603 1068526028 /nfs/dbraw/zinc/52/60/28/1068526028.db2.gz PVISKVMNFLARKS-AREMUKBSSA-N 0 3 471.646 3.184 20 0 JGADHN CC(C)N(CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)C(C)C ZINC001303893450 1068532135 /nfs/dbraw/zinc/53/21/35/1068532135.db2.gz SXAFUNNSWBLFIT-QUCCMNQESA-N 0 3 481.638 3.299 20 0 JGADHN CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001305322531 1068541563 /nfs/dbraw/zinc/54/15/63/1068541563.db2.gz OWNCNUQYUIGMHV-CTZDUNKTSA-N 0 3 486.661 3.023 20 0 JGADHN CC[C@H](C)[C@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001305334346 1068564732 /nfs/dbraw/zinc/56/47/32/1068564732.db2.gz LLBGSZWPGJHUOK-UQBPGWFLSA-N 0 3 459.683 3.495 20 0 JGADHN CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001305343601 1068580946 /nfs/dbraw/zinc/58/09/46/1068580946.db2.gz WDHWARVLAQVTQE-VRUMLPLGSA-N 0 3 471.646 3.121 20 0 JGADHN CC[C@H](C)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC2CCOCC2)CC1)OC ZINC001305356239 1068604529 /nfs/dbraw/zinc/60/45/29/1068604529.db2.gz XIYHJNSBBQHHSY-CVDCTZTESA-N 0 3 456.635 3.258 20 0 JGADHN CC[C@H](C)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC2CCOCC2)CC1)OC ZINC001305356240 1068604601 /nfs/dbraw/zinc/60/46/01/1068604601.db2.gz XIYHJNSBBQHHSY-WMZHIEFXSA-N 0 3 456.635 3.258 20 0 JGADHN CC[C@H](C)c1nnc(N2C[C@H](C)O[C@]3(CCOC3)C2)n1C[C@H](c1cccc(OC)c1)N(C)C ZINC001305418515 1068655190 /nfs/dbraw/zinc/65/51/90/1068655190.db2.gz GZIALEGGRJECKP-NVNZTLJMSA-N 0 3 457.619 3.487 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC(C)(c3nc(C)no3)CC2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001305432737 1068669827 /nfs/dbraw/zinc/66/98/27/1068669827.db2.gz ZGYKFGHKPOPDHJ-OALUTQOASA-N 0 3 458.655 3.067 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCC(Cn3nc(C)cc3C)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001305446002 1068680280 /nfs/dbraw/zinc/68/02/80/1068680280.db2.gz TYNJIBKKDONENZ-HYBUGGRVSA-N 0 3 498.720 3.464 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC(CN3CCOCC3)CC2)n1CC(F)(F)C1(OC)CCOCC1 ZINC001305447244 1068681108 /nfs/dbraw/zinc/68/11/08/1068681108.db2.gz ZJMNWWVVSILENU-IBGZPJMESA-N 0 3 485.620 3.171 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC(N(CC)S(C)(=O)=O)CC2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001305452776 1068688969 /nfs/dbraw/zinc/68/89/69/1068688969.db2.gz KJLJEBPQJRNZFQ-PGRDOPGGSA-N 0 3 494.681 3.484 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC(NS(=O)(=O)CC)CC2)n1C[C@@H](C)N1CCc2ccccc2C1 ZINC001305453236 1068690200 /nfs/dbraw/zinc/69/02/00/1068690200.db2.gz FINHXRIRFLWDNI-VQTJNVASSA-N 0 3 488.702 3.147 20 0 JGADHN CC[C@H](C)c1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1Cc1nccn1C(F)F ZINC001305454891 1068693965 /nfs/dbraw/zinc/69/39/65/1068693965.db2.gz AXPHUUQPHACFBB-ZWKOTPCHSA-N 0 3 450.582 3.036 20 0 JGADHN CC[C@@H](C)c1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1Cc1nccn1C(F)F ZINC001305454889 1068694014 /nfs/dbraw/zinc/69/40/14/1068694014.db2.gz AXPHUUQPHACFBB-QZTJIDSGSA-N 0 3 450.582 3.036 20 0 JGADHN CC[C@H](C)c1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1Cc1nccn1C(F)F ZINC001305454890 1068694150 /nfs/dbraw/zinc/69/41/50/1068694150.db2.gz AXPHUUQPHACFBB-ROUUACIJSA-N 0 3 450.582 3.036 20 0 JGADHN CC[C@H](C)c1nnc(N2CC[C@](O)(c3ccc(C)cc3)C2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001305459412 1068701806 /nfs/dbraw/zinc/70/18/06/1068701806.db2.gz NSRPADLMDIEMTQ-AOJNWGRGSA-N 0 3 454.663 3.224 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001305486269 1068723505 /nfs/dbraw/zinc/72/35/05/1068723505.db2.gz HISKOHLIXJZPFZ-FDFHNCONSA-N 0 3 475.726 3.196 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001305486267 1068723534 /nfs/dbraw/zinc/72/35/34/1068723534.db2.gz HISKOHLIXJZPFZ-BDTNDASRSA-N 0 3 475.726 3.196 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001305488218 1068725990 /nfs/dbraw/zinc/72/59/90/1068725990.db2.gz RKOPOJIACGEQLN-OTWHNJEPSA-N 0 3 460.589 3.365 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1Cc1c(Cl)cccc1OC ZINC001305511123 1068751921 /nfs/dbraw/zinc/75/19/21/1068751921.db2.gz BNHWDODLTPVNQO-SFHVURJKSA-N 0 3 477.053 3.492 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCSCc1ccccc1 ZINC001305512197 1068754641 /nfs/dbraw/zinc/75/46/41/1068754641.db2.gz CDODMJUSKSZCAV-NRFANRHFSA-N 0 3 470.687 3.469 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1Cc1ccccc1Br ZINC001305515035 1068761732 /nfs/dbraw/zinc/76/17/32/1068761732.db2.gz RJFVVESVDOOEAS-XLIONFOSSA-N 0 3 489.462 3.345 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1Cc1ccccc1Br ZINC001305515020 1068761900 /nfs/dbraw/zinc/76/19/00/1068761900.db2.gz RJFVVESVDOOEAS-FXAWDEMLSA-N 0 3 489.462 3.345 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(c3cccc(OC)c3)CC2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001305522375 1068774995 /nfs/dbraw/zinc/77/49/95/1068774995.db2.gz IMZOKVVRBKJLQO-DHIUTWEWSA-N 0 3 483.705 3.400 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(c3ccccc3OC)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305525761 1068779269 /nfs/dbraw/zinc/77/92/69/1068779269.db2.gz FUFHQGJLTZCKHA-NRFANRHFSA-N 0 3 469.678 3.153 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(c3ccccc3C)CC2)n1CCCN1CCN(CC)CC1 ZINC001305527766 1068781158 /nfs/dbraw/zinc/78/11/58/1068781158.db2.gz RRYKALZCMGTFGV-QFIPXVFZSA-N 0 3 453.679 3.454 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(c3ccc(Cl)cn3)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305528989 1068783775 /nfs/dbraw/zinc/78/37/75/1068783775.db2.gz XTRSUGARTAAWTN-IBGZPJMESA-N 0 3 475.085 3.193 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1Cc1ccc(NC(N)=O)cc1 ZINC001305534336 1068794120 /nfs/dbraw/zinc/79/41/20/1068794120.db2.gz JUHXBTPFEZFAMJ-QZTJIDSGSA-N 0 3 455.607 3.020 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(Cc3ccsc3)CC2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001305541028 1068811347 /nfs/dbraw/zinc/81/13/47/1068811347.db2.gz GUNVLSCIXUZDKV-SFTDATJTSA-N 0 3 459.708 3.201 20 0 JGADHN CC[C@H](C)c1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001305555287 1068833476 /nfs/dbraw/zinc/83/34/76/1068833476.db2.gz XWKDKYIHLCOBNV-DLBZAZTESA-N 0 3 468.572 3.053 20 0 JGADHN CC[C@H](C)N(C)CCn1c(-c2ccccc2Br)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC001305606159 1068873005 /nfs/dbraw/zinc/87/30/05/1068873005.db2.gz LFYFBDSVLSQRGJ-DLBZAZTESA-N 0 3 498.491 3.451 20 0 JGADHN CC[C@H](C)N(C)CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001305616138 1068895125 /nfs/dbraw/zinc/89/51/25/1068895125.db2.gz ZMMSOYGFMBXCMI-KSZLIROESA-N 0 3 460.648 3.415 20 0 JGADHN CC[C@@H](C)N(C)CCn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1C1(c2ccccc2)CCC1 ZINC001305617973 1068900692 /nfs/dbraw/zinc/90/06/92/1068900692.db2.gz BIEWIGPUSNCRNG-IFMALSPDSA-N 0 3 473.687 3.492 20 0 JGADHN CC[C@@H](C)N(C)CCn1c(COc2cccc(C)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001305623071 1068912516 /nfs/dbraw/zinc/91/25/16/1068912516.db2.gz WJLXTJJHQXSABX-IRLDBZIGSA-N 0 3 477.675 3.299 20 0 JGADHN CC[C@@H](C)NC(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)N2CCc3ccccc3C2)CC1 ZINC001305643548 1068966539 /nfs/dbraw/zinc/96/65/39/1068966539.db2.gz LWCRRMPJSYLSEE-FGZHOGPDSA-N 0 3 495.716 3.059 20 0 JGADHN CC[C@@H](c1nnc(N2C[C@H](C)O[C@@H](C)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC001305659494 1068999775 /nfs/dbraw/zinc/99/97/75/1068999775.db2.gz IXAGUCHFDHFGMF-NEUULRRLSA-N 0 3 482.673 3.376 20 0 JGADHN CC[C@@H](c1nnc(N2CCS(=O)(=O)CC2)n1C[C@@H](C)CN1CCCCC1)c1ccccc1 ZINC001305679924 1069039009 /nfs/dbraw/zinc/03/90/09/1069039009.db2.gz DMXVODJGFIGFRU-RBBKRZOGSA-N 0 3 459.660 3.177 20 0 JGADHN CCC(CC)(Cn1c(C2CCC2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1)OC ZINC001305692630 1069061212 /nfs/dbraw/zinc/06/12/12/1069061212.db2.gz IPQURZFGIWDSTR-DENIHFKCSA-N 0 3 460.667 3.130 20 0 JGADHN CCC(CC)[C@H](Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)N(C)C ZINC001305707263 1069096861 /nfs/dbraw/zinc/09/68/61/1069096861.db2.gz DDODPWOQHWPWGY-NQIIRXRSSA-N 0 3 465.639 3.464 20 0 JGADHN CCC(CC)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](NC(C)=O)C1)N1CCOCC1 ZINC001305707442 1069098469 /nfs/dbraw/zinc/09/84/69/1069098469.db2.gz FSPYPJILMYGDON-ILBGXUMGSA-N 0 3 482.673 3.495 20 0 JGADHN CCC(CC)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1C)N(C)C ZINC001305713470 1069115987 /nfs/dbraw/zinc/11/59/87/1069115987.db2.gz JAXSNSSLXNTVLU-FCHUYYIVSA-N 0 3 461.676 3.491 20 0 JGADHN CCC(CC)[C@@H](Cn1c(CCc2ccccc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)N(C)C ZINC001305716579 1069122928 /nfs/dbraw/zinc/12/29/28/1069122928.db2.gz QHZKNHHGECNQPR-ZEQKJWHPSA-N 0 3 487.714 3.445 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc3c(c2)OCCO3)n1CCN1CCC[C@H]1C ZINC001305726351 1069143588 /nfs/dbraw/zinc/14/35/88/1069143588.db2.gz YZUSFMZWUYKRLN-GOSISDBHSA-N 0 3 470.618 3.088 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)N(CC)C[C@H]2C)n1CCOc1ncccc1Cl ZINC001305738193 1069162896 /nfs/dbraw/zinc/16/28/96/1069162896.db2.gz LVCYFWAMBABUEC-IAGOWNOFSA-N 0 3 478.041 3.243 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1C[C@H]1CCCCN1CC ZINC001305738316 1069163776 /nfs/dbraw/zinc/16/37/76/1069163776.db2.gz CMDIILFYGMZAEL-NHCUHLMSSA-N 0 3 460.667 3.202 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1C[C@](C)(O)C1CCCCC1 ZINC001305740635 1069171054 /nfs/dbraw/zinc/17/10/54/1069171054.db2.gz QKHIAMPWVGMJIP-CEYNDMKZSA-N 0 3 462.683 3.447 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)N(CC)C[C@H]2C)n1Cc1cccc(NC(C)=O)c1 ZINC001305741419 1069173564 /nfs/dbraw/zinc/17/35/64/1069173564.db2.gz SBPSYEDJJULVHQ-QZTJIDSGSA-N 0 3 469.634 3.122 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)N(CC)C[C@H]2C)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001305743735 1069180487 /nfs/dbraw/zinc/18/04/87/1069180487.db2.gz YEHUYIOBFLYMDM-RTBURBONSA-N 0 3 498.676 3.257 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC(c3nc(C)no3)CC2)n1CCN1CCCC(C)(C)C1 ZINC001305749924 1069194925 /nfs/dbraw/zinc/19/49/25/1069194925.db2.gz CQOCGUCBPOMDKZ-UHFFFAOYSA-N 0 3 486.665 3.394 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CC1(C)CCCC1 ZINC001305757233 1069213716 /nfs/dbraw/zinc/21/37/16/1069213716.db2.gz WPGONFGQTWXHGV-QFIPXVFZSA-N 0 3 473.710 3.382 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCc3oncc3C2)n1C[C@H](c1ccc(C)cc1)N(C)C ZINC001305758862 1069219384 /nfs/dbraw/zinc/21/93/84/1069219384.db2.gz IWVVJOKSSIHRSK-OAQYLSRUSA-N 0 3 465.602 3.359 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CC[C@](O)(c3cccc(F)c3)C2)n1CCN1CCC[C@H](C)C1 ZINC001305758973 1069219551 /nfs/dbraw/zinc/21/95/51/1069219551.db2.gz NHRVWRAFZUVZMW-AFMDSPMNSA-N 0 3 486.636 3.165 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CC[C@@]3(C2)CCCOC3)n1CC(C)(C)N1CCC(OC)CC1 ZINC001305759223 1069220610 /nfs/dbraw/zinc/22/06/10/1069220610.db2.gz CARBNBUYUAXXJL-AREMUKBSSA-N 0 3 490.693 3.093 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCc3cc(C)ccc32)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001305761241 1069227407 /nfs/dbraw/zinc/22/74/07/1069227407.db2.gz JGPFNAHWOZVIAO-OAQYLSRUSA-N 0 3 481.689 3.473 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](OC)C2)n1C[C@H]1CCCN1Cc1ccccc1 ZINC001305772138 1069250161 /nfs/dbraw/zinc/25/01/61/1069250161.db2.gz OVMOEKPYAKITRC-PKTZIBPZSA-N 0 3 468.646 3.476 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 ZINC001305779068 1069268063 /nfs/dbraw/zinc/26/80/63/1069268063.db2.gz KDMUZVGMEGRQFA-CJFMBICVSA-N 0 3 460.667 3.322 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(c3nc(C)c(C)s3)CC2)n1CCN1CCCCC1 ZINC001305784233 1069279895 /nfs/dbraw/zinc/27/98/95/1069279895.db2.gz KHAXPQDFUFLENC-UHFFFAOYSA-N 0 3 488.706 3.082 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCC(C)CC3)CC2)n1C[C@](C)(O)C1CC1 ZINC001305784970 1069283469 /nfs/dbraw/zinc/28/34/69/1069283469.db2.gz CHQDLVJRVQYZKW-JUWHTYBZSA-N 0 3 460.667 3.058 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1Cc1cscc1C ZINC001305785264 1069285358 /nfs/dbraw/zinc/28/53/58/1069285358.db2.gz BYZYNKGAVPFVKB-GOSISDBHSA-N 0 3 474.675 3.304 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(CC(C)C)CC2)n1C[C@@H](C)c1c(C)noc1C ZINC001305785832 1069288401 /nfs/dbraw/zinc/28/84/01/1069288401.db2.gz MNNSZAIUNTZHAN-QGZVFWFLSA-N 0 3 459.639 3.383 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCCCC3)CC2)n1C[C@@H]1CCC[C@H]1OC ZINC001305786319 1069289636 /nfs/dbraw/zinc/28/96/36/1069289636.db2.gz UIXYXWHTYSKFQH-SIKLNZKXSA-N 0 3 460.667 3.466 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1Cc1cccc(C(=O)NC)c1 ZINC001305786850 1069292111 /nfs/dbraw/zinc/29/21/11/1069292111.db2.gz BHDLYOVEZCCMOM-UHFFFAOYSA-N 0 3 497.688 3.163 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1C[C@H](C)c1ccccc1 ZINC001305788997 1069298753 /nfs/dbraw/zinc/29/87/53/1069298753.db2.gz YYUKYAOWBKSLLK-SFTDATJTSA-N 0 3 468.646 3.159 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCNC(=O)[C@H]2CC)n1C[C@H](c1ccc(C)cc1)N1CCCC1 ZINC001305790730 1069302391 /nfs/dbraw/zinc/30/23/91/1069302391.db2.gz XBKNTTVWNAELGW-DHIUTWEWSA-N 0 3 495.672 3.057 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3ccc(F)cc3F)C2)n1CCN1CCCC1 ZINC001305793365 1069309034 /nfs/dbraw/zinc/30/90/34/1069309034.db2.gz FDQJNWRWTXGLJB-NRFANRHFSA-N 0 3 476.572 3.148 20 0 JGADHN O=C(OCc1ccc(Cl)cc1)c1cnc(Cl)nc1C(F)(F)N1CC[C@@H]2NCCO[C@H]2C1 ZINC001164390047 718823630 /nfs/dbraw/zinc/82/36/30/718823630.db2.gz LHIRYFVJMBFGJL-HOTGVXAUSA-N 0 3 473.307 3.252 20 0 JGADHN NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC001164630107 719091935 /nfs/dbraw/zinc/09/19/35/719091935.db2.gz VIMCOEOHRBCUOL-QAPCUYQASA-N 0 3 456.946 3.028 20 0 JGADHN NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC001164630108 719092239 /nfs/dbraw/zinc/09/22/39/719092239.db2.gz VIMCOEOHRBCUOL-YJBOKZPZSA-N 0 3 456.946 3.028 20 0 JGADHN COC(=O)[C@H]1CNCCN1C(F)(F)c1cc(-c2ccccc2C(F)(F)F)nnc1Cl ZINC001164630615 719138582 /nfs/dbraw/zinc/13/85/82/719138582.db2.gz JXCMHPZWKLCLOA-CQSZACIVSA-N 0 3 450.795 3.312 20 0 JGADHN c1ccc(CN2CCc3nc(N(Cc4noc5c4CNCC5)c4ncccn4)ccc3C2)cc1 ZINC001164642898 719267069 /nfs/dbraw/zinc/26/70/69/719267069.db2.gz ZOEJTCWOGILOTH-UHFFFAOYSA-N 0 3 453.550 3.402 20 0 JGADHN COc1ccc(Cn2cc3[nH]c(N4CC[C@H]5[C@@H]4CCN5Cc4cccnc4)ccc-3c2=O)cc1 ZINC001164735337 720429484 /nfs/dbraw/zinc/42/94/84/720429484.db2.gz WHUSAKIUUWHECK-DQEYMECFSA-N 0 3 455.562 3.494 20 0 JGADHN c1ccc(COc2ccc3c(c2)ncnc3N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)cc1 ZINC001164751959 720801873 /nfs/dbraw/zinc/80/18/73/720801873.db2.gz YHUMNXWYHVSPEH-RBBKRZOGSA-N 0 3 454.534 3.341 20 0 JGADHN CC(C)CN1[C@@H]2CCN(c3cc(CN(C)C)ccn3)CC[C@H]2Oc2ccccc2S1(=O)=O ZINC001164757842 720972581 /nfs/dbraw/zinc/97/25/81/720972581.db2.gz RAMOBUIJMDQPOR-NHCUHLMSSA-N 0 3 458.628 3.220 20 0 JGADHN CCOC(=O)c1sc2ncnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1C ZINC001164866086 721043878 /nfs/dbraw/zinc/04/38/78/721043878.db2.gz CNFLHMSIYKROFA-QZTJIDSGSA-N 0 3 453.568 3.051 20 0 JGADHN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)nc5c4CN(Cc4ccccc4)CC5)C[C@H]3C2)cn1 ZINC001164761090 721089104 /nfs/dbraw/zinc/08/91/04/721089104.db2.gz AXGYMSNWCGBRRZ-FCHUYYIVSA-N 0 3 478.044 3.380 20 0 JGADHN Cn1cc(CN2CC[C@H]3CN(c4cc(C(=O)NCc5ccccc5)cc(Cl)n4)C[C@@H]3C2)cn1 ZINC001164760978 721093029 /nfs/dbraw/zinc/09/30/29/721093029.db2.gz AGQXEHAIVLOZOJ-UNMCSNQZSA-N 0 3 465.001 3.357 20 0 JGADHN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)nc5c4ncn5Cc4ccccc4)C[C@H]3C2)cn1 ZINC001164773645 721101671 /nfs/dbraw/zinc/10/16/71/721101671.db2.gz XWZBEMDHUVKGJT-VQTJNVASSA-N 0 3 462.989 3.220 20 0 JGADHN O=C(NCCSCc1ccco1)c1cccnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865375 721109801 /nfs/dbraw/zinc/10/98/01/721109801.db2.gz KNAGHHRDQQYHBM-GGAORHGYSA-N 0 3 493.633 3.213 20 0 JGADHN COc1ccc(Cn2cc3[nH]c(N4CCN5C[C@@H](OCc6cccnc6)C[C@H]5C4)ccc-3c2=O)cc1 ZINC001164877575 721134421 /nfs/dbraw/zinc/13/44/21/721134421.db2.gz OQZOBKFOVHFARH-UPVQGACJSA-N 0 3 485.588 3.121 20 0 JGADHN CCOC(=O)c1sc2nc(C)nc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1C ZINC001164880403 721140752 /nfs/dbraw/zinc/14/07/52/721140752.db2.gz WDUWVHGLXBHQFA-RBUKOAKNSA-N 0 3 467.595 3.360 20 0 JGADHN COc1ccc(-c2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nn2)c(OC)c1OC ZINC001164879437 721171083 /nfs/dbraw/zinc/17/10/83/721171083.db2.gz SGBYAHRCAGYXGZ-UXHICEINSA-N 0 3 477.565 3.044 20 0 JGADHN CCOC(=O)c1ccc2nc(Cl)nc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2c1 ZINC001164773384 721188302 /nfs/dbraw/zinc/18/83/02/721188302.db2.gz WWIYBDLOCQXSBD-ROUUACIJSA-N 0 3 454.962 3.152 20 0 JGADHN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ncnc5c4ccn5Cc4ccc(F)cc4)C3)O2)CC1 ZINC001164884595 721417207 /nfs/dbraw/zinc/41/72/07/721417207.db2.gz FCECOCUSVLXSQH-YIXXDRMTSA-N 0 3 478.616 3.384 20 0 JGADHN COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3[n-]c(C(=O)OC)cc31)CC2 ZINC001164786669 721462281 /nfs/dbraw/zinc/46/22/81/721462281.db2.gz PDRXUFVZNXSYLL-KRWDZBQOSA-N 0 3 492.020 3.132 20 0 JGADHN COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)nc3[n-]c(C(=O)OC)cc31)CC2 ZINC001164786669 721462283 /nfs/dbraw/zinc/46/22/83/721462283.db2.gz PDRXUFVZNXSYLL-KRWDZBQOSA-N 0 3 492.020 3.132 20 0 JGADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc5ccsc5c(N5CCOCC5)n4)CCN3C2)c1 ZINC001164898586 721519130 /nfs/dbraw/zinc/51/91/30/721519130.db2.gz JERNZMWVHGXFFK-PKOBYXMFSA-N 0 3 455.559 3.009 20 0 JGADHN Cc1cc2nc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164904113 721542692 /nfs/dbraw/zinc/54/26/92/721542692.db2.gz FGCZQZVYYCWOLU-AZUAARDMSA-N 0 3 469.586 3.317 20 0 JGADHN CS(=O)(=O)c1ccc(Oc2ccnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)cc1 ZINC001164905796 721548355 /nfs/dbraw/zinc/54/83/55/721548355.db2.gz IHRWJENKHQSSNX-WIYYLYMNSA-N 0 3 484.553 3.153 20 0 JGADHN CCC(CC)NS(=O)(=O)c1ccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164907168 721555664 /nfs/dbraw/zinc/55/56/64/721555664.db2.gz MJKNWPLWAMZQPD-CTNGQTDRSA-N 0 3 462.591 3.030 20 0 JGADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cc(N5CCN(c6ccccc6)CC5)ncn4)CCN3C2)c1 ZINC001164911900 721560119 /nfs/dbraw/zinc/56/01/19/721560119.db2.gz ZZGVWGOIICYNHC-ILBGXUMGSA-N 0 3 474.584 3.284 20 0 JGADHN Fc1cccc(O[C@H]2C[C@H]3CN(c4cc(N5CCN(c6ccccc6)CC5)ncn4)CCN3C2)c1 ZINC001164911903 721560382 /nfs/dbraw/zinc/56/03/82/721560382.db2.gz ZZGVWGOIICYNHC-ZCYQVOJMSA-N 0 3 474.584 3.284 20 0 JGADHN COc1cccc(CN2C[C@@H]3CCN(c4ccc(CN5CCCC5)cn4)CC[C@@H]3S2(=O)=O)c1 ZINC001164808897 721592957 /nfs/dbraw/zinc/59/29/57/721592957.db2.gz RJNZZJQENOVMGV-UPVQGACJSA-N 0 3 470.639 3.117 20 0 JGADHN CCc1cc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc(N2CCOCC2)n1 ZINC001164905574 721714159 /nfs/dbraw/zinc/71/41/59/721714159.db2.gz HROQZKPRYCNISZ-HSZRJFAPSA-N 0 3 458.557 3.008 20 0 JGADHN COc1cccc(OC)c1CN1CCC(N(C)c2nc(N3CCCC3)nc(N3CCCC3)n2)CC1 ZINC001165021214 721843369 /nfs/dbraw/zinc/84/33/69/721843369.db2.gz IDHBICCUAWMHLV-UHFFFAOYSA-N 0 3 481.645 3.190 20 0 JGADHN Cc1ccc(CN2CCOC3(CCN(c4nc(N5CCCC5)nc(N5CCCC5)n4)CC3)C2)cc1 ZINC001164939022 721930830 /nfs/dbraw/zinc/93/08/30/721930830.db2.gz HGQBFSXHIMLAFP-UHFFFAOYSA-N 0 3 477.657 3.252 20 0 JGADHN O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3CCC4(C3)OCCO4)c21 ZINC001165047777 721985473 /nfs/dbraw/zinc/98/54/73/721985473.db2.gz PUZQFOOGZKZERO-UHFFFAOYSA-N 0 3 455.942 3.350 20 0 JGADHN COc1cc2nc(C)nc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c2cc1OC ZINC001164964058 722056246 /nfs/dbraw/zinc/05/62/46/722056246.db2.gz RFAIVPDRMILOEB-UHFFFAOYSA-N 0 3 463.582 3.469 20 0 JGADHN COc1nnc(Cl)cc1C(F)(F)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164965203 722062611 /nfs/dbraw/zinc/06/26/11/722062611.db2.gz JJENFBMZSAWTSJ-UHFFFAOYSA-N 0 3 453.921 3.198 20 0 JGADHN CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164981644 722100025 /nfs/dbraw/zinc/10/00/25/722100025.db2.gz LUSSAUHRWQWPBW-RBBKRZOGSA-N 0 3 486.576 3.182 20 0 JGADHN c1ccc(CN2CCc3ncnc(N4CC[C@H]5CN(Cc6cccnc6)CCO[C@@H]5C4)c3C2)cc1 ZINC001164985251 722104187 /nfs/dbraw/zinc/10/41/87/722104187.db2.gz VRWOWWOSZXOAIH-RPLLCQBOSA-N 0 3 470.621 3.157 20 0 JGADHN CC[C@@H]1C(=O)Nc2cnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc2N1C1CCCC1 ZINC001164973339 722117337 /nfs/dbraw/zinc/11/73/37/722117337.db2.gz HAIWXTVXSGHCOL-ZTCOLXNVSA-N 0 3 491.640 3.079 20 0 JGADHN CCOC(Cc1c(Cl)ncnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1)OCC ZINC001164975097 722118719 /nfs/dbraw/zinc/11/87/19/722118719.db2.gz JKWWYCRERSEOAW-CTNGQTDRSA-N 0 3 476.021 3.194 20 0 JGADHN FC(F)(c1ccc2ncnc(Cl)c2n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164981979 722127461 /nfs/dbraw/zinc/12/74/61/722127461.db2.gz VLCAXKZHIJHRKY-WMZOPIPTSA-N 0 3 460.916 3.345 20 0 JGADHN COC(=O)c1cc2c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)[nH]c(Cl)cc-2n1 ZINC001164980304 722132195 /nfs/dbraw/zinc/13/21/95/722132195.db2.gz MQSAXXMBHMPXHG-JXFKEZNVSA-N 0 3 455.946 3.125 20 0 JGADHN COc1ccc(Cn2cc3[nH]c(N4CC[C@@H]5CN(Cc6cccnc6)CCO[C@H]5C4)ccc-3c2=O)cc1 ZINC001164983804 722137772 /nfs/dbraw/zinc/13/77/72/722137772.db2.gz VDEXBHQBJVWPRH-KCWPFWIISA-N 0 3 499.615 3.369 20 0 JGADHN COC(=O)c1cnc(Cl)cc1C(F)(F)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164973397 722139685 /nfs/dbraw/zinc/13/96/85/722139685.db2.gz CBXUEPIPYIACQE-APWZRJJASA-N 0 3 466.916 3.189 20 0 JGADHN FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164975179 722151426 /nfs/dbraw/zinc/15/14/26/722151426.db2.gz FHRDLSJOWVMAHQ-ROUUACIJSA-N 0 3 476.915 3.452 20 0 JGADHN O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974691 722156540 /nfs/dbraw/zinc/15/65/40/722156540.db2.gz OWXSLYFIWDPABK-IEBWSBKVSA-N 0 3 481.931 3.494 20 0 JGADHN O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974693 722157540 /nfs/dbraw/zinc/15/75/40/722157540.db2.gz OWXSLYFIWDPABK-PKOBYXMFSA-N 0 3 481.931 3.494 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3ccccc3)C2)n1C[C@H]1CCCN1CC ZINC001305794458 1069312377 /nfs/dbraw/zinc/31/23/77/1069312377.db2.gz KMEXHQLQBKHISQ-FGZHOGPDSA-N 0 3 454.619 3.259 20 0 JGADHN CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1)c1ccccc1 ZINC001305805797 1069333071 /nfs/dbraw/zinc/33/30/71/1069333071.db2.gz YVGQBUDIZRCRNV-ISKFKSNPSA-N 0 3 481.689 3.215 20 0 JGADHN CC[C@H](Cn1c(C(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)N1CCc2ccccc2C1 ZINC001305806970 1069335780 /nfs/dbraw/zinc/33/57/80/1069335780.db2.gz RCWCZFDKPBPRQV-JOCHJYFZSA-N 0 3 488.702 3.099 20 0 JGADHN CC[C@H](Cn1c([C@@H](C)OCCOC)nnc1N1CCCO[C@H](C)C1)N1CCc2ccccc2C1 ZINC001305810669 1069340671 /nfs/dbraw/zinc/34/06/71/1069340671.db2.gz PWQPNMXMRUZTOT-PQNGQFLHSA-N 0 3 471.646 3.454 20 0 JGADHN CC[C@@H](Cn1c(C)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1)NC(=O)OC(C)(C)C ZINC001305809711 1069339753 /nfs/dbraw/zinc/33/97/53/1069339753.db2.gz RROFXQSDGOSOGJ-QHCPKHFHSA-N 0 3 485.677 3.144 20 0 JGADHN CC[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)N(CC)C[C@H]1C)OC ZINC001305811774 1069342229 /nfs/dbraw/zinc/34/22/29/1069342229.db2.gz RUBQBWZRGVZCQO-ZMSDIMECSA-N 0 3 453.429 3.390 20 0 JGADHN CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)N(CC)C[C@H]1C)NC(=O)OC(C)(C)C ZINC001305831899 1069373573 /nfs/dbraw/zinc/37/35/73/1069373573.db2.gz GMSPQKOGJUAOSA-WJFTUGDTSA-N 0 3 450.628 3.004 20 0 JGADHN CC[C@]1(C)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN2CCN(C)C(C)(C)C2)CCO1 ZINC001305880480 1069433217 /nfs/dbraw/zinc/43/32/17/1069433217.db2.gz FZGPIHKDFUBFEL-HHHXNRCGSA-N 0 3 497.688 3.179 20 0 JGADHN CCc1ccc([C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2cnccn2)N(C)C)cc1 ZINC001305914610 1069469279 /nfs/dbraw/zinc/46/92/79/1069469279.db2.gz CSPJWVZIYURYTR-JOCHJYFZSA-N 0 3 485.596 3.217 20 0 JGADHN CCc1ccc([C@@H](Cn2c(C(=O)Nc3ccccn3)nnc2N2CCOC(C)(C)C2)N(C)C)cc1 ZINC001305914690 1069469772 /nfs/dbraw/zinc/46/97/72/1069469772.db2.gz FEAZLOOYMOMCAC-OAQYLSRUSA-N 0 3 477.613 3.406 20 0 JGADHN CCc1ccc([C@H](Cn2c([C@@H](C)CC)nnc2N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)N(C)C)cc1 ZINC001305918516 1069473734 /nfs/dbraw/zinc/47/37/34/1069473734.db2.gz SKVYQFJSYRDOPB-BWAGFHJFSA-N 0 3 493.660 3.189 20 0 JGADHN CCc1ccc([C@H](Cn2c(CC3CC3)nnc2N2CCN(C(=O)OC)[C@@H](C)C2)N(C)C)cc1 ZINC001305919659 1069474675 /nfs/dbraw/zinc/47/46/75/1069474675.db2.gz POUMFLJCDKEJJQ-AVRDEDQJSA-N 0 3 454.619 3.373 20 0 JGADHN CCc1ccc([C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CCC[C@@H](CC(N)=O)C2)N(C)C)cc1 ZINC001305919258 1069474712 /nfs/dbraw/zinc/47/47/12/1069474712.db2.gz OBUAWMSEKJQSGN-PMVMPFDFSA-N 0 3 468.646 3.477 20 0 JGADHN CCc1ccc([C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CC(=O)N(C)C[C@H]2C)N(C)C)cc1 ZINC001305920803 1069476351 /nfs/dbraw/zinc/47/63/51/1069476351.db2.gz UQUJQODGKDEUTP-COPCDDAFSA-N 0 3 454.619 3.052 20 0 JGADHN CCc1ccc(-c2nnc(N(C)[C@H](C)CS(C)(=O)=O)n2CC2(N3CCCC3)CCOCC2)cc1 ZINC001305920731 1069476375 /nfs/dbraw/zinc/47/63/75/1069476375.db2.gz ORXWSQJAZKGRKP-HXUWFJFHSA-N 0 3 489.686 3.022 20 0 JGADHN CCc1ccc([C@@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2nccs2)N(C)C)cc1 ZINC001305921449 1069477435 /nfs/dbraw/zinc/47/74/35/1069477435.db2.gz ZGJFBOSXGWNVKW-RTBURBONSA-N 0 3 453.616 3.187 20 0 JGADHN CCc1ccc([C@H](Cn2c([C@H]3CCCO3)nnc2N2CCC[C@@H](C(=O)OC)C2)N(C)C)cc1 ZINC001305921641 1069477505 /nfs/dbraw/zinc/47/75/05/1069477505.db2.gz VJGVIUYBKOQCRN-BHIFYINESA-N 0 3 455.603 3.384 20 0 JGADHN CN(C)[C@H](Cn1c(Cc2ccccn2)nnc1N(C)CC(=O)NC(C)(C)C)c1cccc(F)c1 ZINC001298214951 1064131303 /nfs/dbraw/zinc/13/13/03/1064131303.db2.gz WONRTWBAWYFUCR-OAQYLSRUSA-N 0 3 467.593 3.057 20 0 JGADHN CN(CC(F)(F)F)c1nnc(COc2ccc(F)cc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001298252701 1064152245 /nfs/dbraw/zinc/15/22/45/1064152245.db2.gz TUJSFXOTSNVZPW-UHFFFAOYSA-N 0 3 458.504 3.021 20 0 JGADHN O=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)NC[C@H]1CCCCN1CCO ZINC001298289727 1064175394 /nfs/dbraw/zinc/17/53/94/1064175394.db2.gz USGKXLDSTPYXDV-LJQANCHMSA-N 0 3 456.974 3.232 20 0 JGADHN CN(Cc1ccc(F)c(Cl)c1)c1nnc(-c2cnccn2)n1CCN1CCN(C)C(C)(C)C1 ZINC001298303424 1064183869 /nfs/dbraw/zinc/18/38/69/1064183869.db2.gz OBSHKTLNXDSQQW-UHFFFAOYSA-N 0 3 473.000 3.190 20 0 JGADHN CN(C)[C@@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1)c1ccsc1 ZINC001298318843 1064194559 /nfs/dbraw/zinc/19/45/59/1064194559.db2.gz DBIQLTAFKWMISV-AUSOSSAASA-N 0 3 481.651 3.473 20 0 JGADHN O=C(CC1CCCCC1)NC1CCC(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)CC1 ZINC001298320859 1064196256 /nfs/dbraw/zinc/19/62/56/1064196256.db2.gz KFSFGNUHAOSLPT-PUOLSWATSA-N 0 3 455.643 3.167 20 0 JGADHN CN(Cc1ccc([S@@](C)=O)cc1)c1nnc(CC2CCCC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001298321008 1064196939 /nfs/dbraw/zinc/19/69/39/1064196939.db2.gz BJOFLZIYYZLJDU-UUWRZZSWSA-N 0 3 486.730 3.411 20 0 JGADHN CN(Cc1cccc(C(N)=O)c1)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CC=CCC1 ZINC001298331587 1064206122 /nfs/dbraw/zinc/20/61/22/1064206122.db2.gz MZRARHVGRMCDLV-UHFFFAOYSA-N 0 3 484.402 3.033 20 0 JGADHN CN(Cc1cccc(Cl)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCC1 ZINC001298338316 1064208372 /nfs/dbraw/zinc/20/83/72/1064208372.db2.gz UFIZINQFFMRWRX-SFHVURJKSA-N 0 3 466.051 3.344 20 0 JGADHN CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)c1cccc(CS(N)(=O)=O)c1 ZINC001298378633 1064226193 /nfs/dbraw/zinc/22/61/93/1064226193.db2.gz MILJAWNPBPGCEO-DEOSSOPVSA-N 0 3 457.640 3.280 20 0 JGADHN COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)cc1OC ZINC001298379108 1064226555 /nfs/dbraw/zinc/22/65/55/1064226555.db2.gz ZAQVGFPJYXUAOH-ZYSHUDEJSA-N 0 3 453.539 3.117 20 0 JGADHN CN(C)[C@@H](Cn1c(-c2cccnc2)nnc1N(C)Cc1ncnn1CC(F)F)c1cccc(F)c1 ZINC001298461939 1064262791 /nfs/dbraw/zinc/26/27/91/1064262791.db2.gz FRKHFWMBVTVITG-IBGZPJMESA-N 0 3 485.518 3.275 20 0 JGADHN CN(C)[C@H](Cn1c(-c2cccnc2)nnc1N(C)Cc1ncnn1CC(F)F)c1cccc(F)c1 ZINC001298461940 1064262804 /nfs/dbraw/zinc/26/28/04/1064262804.db2.gz FRKHFWMBVTVITG-LJQANCHMSA-N 0 3 485.518 3.275 20 0 JGADHN CN(C[C@H]1CCCCO1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)CN1CCCC1 ZINC001298536173 1064298343 /nfs/dbraw/zinc/29/83/43/1064298343.db2.gz JNJOAXJEXDADJQ-OAQYLSRUSA-N 0 3 489.686 3.476 20 0 JGADHN CN(CC1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CC=CCC2)CC1)C(=O)OC(C)(C)C ZINC001298564863 1064333150 /nfs/dbraw/zinc/33/31/50/1064333150.db2.gz MQGCUNSPJRBAFM-OAQYLSRUSA-N 0 3 474.650 3.127 20 0 JGADHN CN(CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(F)(F)F)C1)Cc1ccccc1 ZINC001298706206 1064511621 /nfs/dbraw/zinc/51/16/21/1064511621.db2.gz QHYHLBSEPAUSMA-QZTJIDSGSA-N 0 3 450.509 3.140 20 0 JGADHN CN(CCn1c(Cc2ccncc2)nnc1N1CCN(C(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC001298711743 1064517682 /nfs/dbraw/zinc/51/76/82/1064517682.db2.gz DZDXCVYBLXYWNN-UHFFFAOYSA-N 0 3 457.623 3.051 20 0 JGADHN CN(CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)Cc1ccc(F)cc1 ZINC001298712337 1064519294 /nfs/dbraw/zinc/51/92/94/1064519294.db2.gz BAZZMKBAMVYKCU-RBBKRZOGSA-N 0 3 486.636 3.184 20 0 JGADHN CN(CCn1c(CC(C)(C)C)nnc1N1CCN(c2cnn(C)c2)CC1)Cc1ccc(F)cc1 ZINC001298712541 1064520214 /nfs/dbraw/zinc/52/02/14/1064520214.db2.gz KYBUDCNSLHCKEW-UHFFFAOYSA-N 0 3 468.625 3.198 20 0 JGADHN CN(CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)Cc1ccc(F)cc1 ZINC001298713965 1064523231 /nfs/dbraw/zinc/52/32/31/1064523231.db2.gz ISWAFMDYYQJCMB-HXUWFJFHSA-N 0 3 488.608 3.110 20 0 JGADHN CN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC=C(C(F)(F)F)CC1)C1CCCCC1 ZINC001298715967 1064525319 /nfs/dbraw/zinc/52/53/19/1064525319.db2.gz ZWXWWEYDLUKQED-INIZCTEOSA-N 0 3 475.581 3.144 20 0 JGADHN CN(CCn1c(CCc2ccccc2)nnc1N1CCC(CN2CCOCC2)CC1)CC(F)(F)F ZINC001298716417 1064525968 /nfs/dbraw/zinc/52/59/68/1064525968.db2.gz BJADLZSUJNFJGM-UHFFFAOYSA-N 0 3 494.606 3.106 20 0 JGADHN CN(CCn1c(COc2ccccc2F)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC001298719809 1064530413 /nfs/dbraw/zinc/53/04/13/1064530413.db2.gz QDCKPWOUQGMXJC-HXUWFJFHSA-N 0 3 493.649 3.274 20 0 JGADHN CC(C)Oc1ccc([C@@H](CNC(=O)c2c(CNC(=O)OC(C)(C)C)cnn2C)N(C)C)cc1 ZINC001298724305 1064534328 /nfs/dbraw/zinc/53/43/28/1064534328.db2.gz ZQHBJJHGEBEBAK-HXUWFJFHSA-N 0 3 459.591 3.265 20 0 JGADHN CN(C)[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)CCN1CCOC(C)(C)C1)c1cccc(F)c1 ZINC001298730124 1064545348 /nfs/dbraw/zinc/54/53/48/1064545348.db2.gz RZZFHQUQWAQNDH-DEOSSOPVSA-N 0 3 495.647 3.253 20 0 JGADHN CN(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)CCOC(C)(C)C)c1ccc(F)cc1 ZINC001298754913 1064565061 /nfs/dbraw/zinc/56/50/61/1064565061.db2.gz WQCPXKWMTFYSDW-HXUWFJFHSA-N 0 3 460.598 3.094 20 0 JGADHN CN(CCS(C)(=O)=O)c1nnc(-c2ccccc2Br)n1CC(C)(C)CN1CCCC1 ZINC001298776905 1064583325 /nfs/dbraw/zinc/58/33/25/1064583325.db2.gz VJLVWKJXLHVJGH-UHFFFAOYSA-N 0 3 498.491 3.310 20 0 JGADHN Cn1cc(Br)cc1-c1nnc(N2CCN(C(C)(C)C)CC2)n1CC[C@@H]1CCOC1 ZINC001298801861 1064600027 /nfs/dbraw/zinc/60/00/27/1064600027.db2.gz RREOTVGYCCGIDZ-MRXNPFEDSA-N 0 3 465.440 3.393 20 0 JGADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCOC(C)(C)C)CC1 ZINC001298886279 1064693808 /nfs/dbraw/zinc/69/38/08/1064693808.db2.gz DYHMMBUWVNZPIG-HXUWFJFHSA-N 0 3 475.037 3.156 20 0 JGADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2nc(C(C)(C)C)cs2)CC1 ZINC001298886772 1064694826 /nfs/dbraw/zinc/69/48/26/1064694826.db2.gz GMZWQIJLNKLZSM-KRWDZBQOSA-N 0 3 473.691 3.121 20 0 JGADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(C(F)(F)F)n2)CC1 ZINC001298887418 1064696675 /nfs/dbraw/zinc/69/66/75/1064696675.db2.gz JMYIQORJJGGFEO-SFHVURJKSA-N 0 3 493.578 3.072 20 0 JGADHN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCN(Cc4ccccc4)[C@H]3C)CC2)cc1 ZINC001298887775 1064697310 /nfs/dbraw/zinc/69/73/10/1064697310.db2.gz NEDSQQNDJWSIPX-RDPSFJRHSA-N 0 3 455.624 3.175 20 0 JGADHN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H]2C)cc1 ZINC001298888914 1064698857 /nfs/dbraw/zinc/69/88/57/1064698857.db2.gz PQCMMUMBSUMMHU-ZTCOLXNVSA-N 0 3 457.640 3.467 20 0 JGADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CCCCOc2ccc(F)cc2)CC1 ZINC001298890003 1064699264 /nfs/dbraw/zinc/69/92/64/1064699264.db2.gz YGJKLFXDEGGDKQ-QFIPXVFZSA-N 0 3 486.636 3.317 20 0 JGADHN CN1CCN(CCn2c(C3CCCC3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1(C)C ZINC001298897337 1064703376 /nfs/dbraw/zinc/70/33/76/1064703376.db2.gz MGPMPCYPMBIJMX-HXUWFJFHSA-N 0 3 475.682 3.065 20 0 JGADHN CNC(=O)C(C)(C)Cn1c(COc2ccccc2OC)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001298951501 1064742390 /nfs/dbraw/zinc/74/23/90/1064742390.db2.gz YJLQWOBZWBQHOY-UHFFFAOYSA-N 0 3 486.661 3.196 20 0 JGADHN CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CCCCO2)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001298986450 1064770383 /nfs/dbraw/zinc/77/03/83/1064770383.db2.gz XLZRMDBLESHNCG-DENIHFKCSA-N 0 3 468.646 3.175 20 0 JGADHN CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001298986461 1064770541 /nfs/dbraw/zinc/77/05/41/1064770541.db2.gz XLZRMDBLESHNCG-UGKGYDQZSA-N 0 3 468.646 3.175 20 0 JGADHN CNC(=O)[C@@H](C)CN(C)c1nnc(Cc2ccsc2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001298988824 1064771961 /nfs/dbraw/zinc/77/19/61/1064771961.db2.gz FUZQZTUTUAWBLR-JXFKEZNVSA-N 0 3 458.607 3.191 20 0 JGADHN CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](c2ccsc2)N(C)C)C1 ZINC001299011626 1064794846 /nfs/dbraw/zinc/79/48/46/1064794846.db2.gz BVTODYJPOVGMAV-GBXCKJPGSA-N 0 3 468.627 3.281 20 0 JGADHN CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](c2ccc(F)cc2)N(C)C)C1 ZINC001299020568 1064804172 /nfs/dbraw/zinc/80/41/72/1064804172.db2.gz NWELBJOJMVMISZ-SQJMNOBHSA-N 0 3 465.577 3.053 20 0 JGADHN CNC(=O)[C@@]1(C)CCN(c2nnc(CSc3ccccc3OC)n2CCN2CCCCC2)C1 ZINC001299039697 1064829396 /nfs/dbraw/zinc/82/93/96/1064829396.db2.gz LZZIMKMTKVHWNK-DEOSSOPVSA-N 0 3 472.659 3.027 20 0 JGADHN CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](c2cccs2)N(C)C)C1 ZINC001299101012 1064907470 /nfs/dbraw/zinc/90/74/70/1064907470.db2.gz PXACTCKAPHKMKV-TZIWHRDSSA-N 0 3 482.654 3.492 20 0 JGADHN COc1cc(CN(C)C)ccc1NC(=O)c1cnnn1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001299105746 1064914662 /nfs/dbraw/zinc/91/46/62/1064914662.db2.gz JSJIHSUDECEJRQ-UHFFFAOYSA-N 0 3 458.563 3.173 20 0 JGADHN CNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H](c2cccs2)N(C)C)CC1 ZINC001299120309 1064929576 /nfs/dbraw/zinc/92/95/76/1064929576.db2.gz URDBROJMZQBAFW-QFIPXVFZSA-N 0 3 496.681 3.399 20 0 JGADHN CO[C@@]1(Cn2c(-c3ccccc3Br)nnc2N2CCN(CC(C)C)CC2)CCOC1 ZINC001299801403 1064999455 /nfs/dbraw/zinc/99/94/55/1064999455.db2.gz LFYACSVZJAXIBF-JOCHJYFZSA-N 0 3 478.435 3.291 20 0 JGADHN Cc1c(Cl)c(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2N2CCCC2)sc1S(N)(=O)=O ZINC001299811592 1065006989 /nfs/dbraw/zinc/00/69/89/1065006989.db2.gz RXSMUAKNJMBKBL-DOTOQJQBSA-N 0 3 454.017 3.239 20 0 JGADHN COc1cc(CCn2c(C(=O)NC(C)C)nnc2N2CCN(CC(C)C)CC2)ccc1Cl ZINC001299862844 1065080092 /nfs/dbraw/zinc/08/00/92/1065080092.db2.gz CNESCKHGSVPRRJ-UHFFFAOYSA-N 0 3 463.026 3.099 20 0 JGADHN COc1cc(CN(C)c2nnc(C(C)(C)C)n2CCCN2CCC[C@H]2C(=O)N(C)C)cc(OC)c1 ZINC001299869234 1065086513 /nfs/dbraw/zinc/08/65/13/1065086513.db2.gz BSWVBIPTNAABLD-QFIPXVFZSA-N 0 3 486.661 3.172 20 0 JGADHN COc1cc(CN(C)c2nnc(-c3cnn(C)c3)n2CCN2CC=CCC2)ccc1OC(F)F ZINC001299870684 1065088390 /nfs/dbraw/zinc/08/83/90/1065088390.db2.gz AXXIEYOZAVPCBS-UHFFFAOYSA-N 0 3 473.528 3.187 20 0 JGADHN COc1cc(Cn2c(C3CCCC3)nnc2N2CCN(CC(C)C)CC2)ccc1OCCO ZINC001299884068 1065108143 /nfs/dbraw/zinc/10/81/43/1065108143.db2.gz YEYKTVOURFKKHD-UHFFFAOYSA-N 0 3 457.619 3.142 20 0 JGADHN COc1cc(F)cc(Cn2c(C(=O)N3CCCC3)nnc2N2CCN(CCC(C)(C)C)CC2)c1 ZINC001299919716 1065171554 /nfs/dbraw/zinc/17/15/54/1065171554.db2.gz WBWBDXJOURXGLL-UHFFFAOYSA-N 0 3 472.609 3.268 20 0 JGADHN COc1ccc(Br)c(-c2nnc(N3CCN(CC(C)C)CC3)n2Cc2cnn(C)c2)c1 ZINC001299974106 1065262829 /nfs/dbraw/zinc/26/28/29/1065262829.db2.gz PMPWIFHABLRGCF-UHFFFAOYSA-N 0 3 488.434 3.276 20 0 JGADHN Cc1ccc(Cn2c(CCCc3ccccc3)nnc2N2CCN(C(C)(C)C)CC2)c(=O)n1C ZINC001492201496 1065315146 /nfs/dbraw/zinc/31/51/46/1065315146.db2.gz XOEGQLXQHNCRJZ-UHFFFAOYSA-N 0 3 462.642 3.429 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N(C)Cc3cscn3)n2C[C@H]2CCCN2CCCO)cc1C ZINC001492238484 1065332419 /nfs/dbraw/zinc/33/24/19/1065332419.db2.gz RBJDJFDDJHDEMF-OAQYLSRUSA-N 0 3 483.642 3.087 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N(C)Cc3cnn(C)c3)n2CCN2CCC[C@H](C)C2)cc1C ZINC001492238488 1065334267 /nfs/dbraw/zinc/33/42/67/1065334267.db2.gz RCOFNRKXHOFZNV-SFHVURJKSA-N 0 3 464.618 3.249 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C)[C@H]3C)n2C[C@@H]2CCCN2CCCO)cc1C ZINC001492250715 1065350532 /nfs/dbraw/zinc/35/05/32/1065350532.db2.gz QAFPJQKRZMSDAS-DWLFOUALSA-N 0 3 454.619 3.229 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCN(CCC(C)(C)C)CC3)n2CCNC(=O)C(C)C)cc1C ZINC001492265693 1065358317 /nfs/dbraw/zinc/35/83/17/1065358317.db2.gz CGQLBXNVSQUFAA-UHFFFAOYSA-N 0 3 497.688 3.478 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCN(C(C)(C)C)CC3)n2CCN2CCOC(C)(C)C2)cc1C ZINC001492269243 1065364813 /nfs/dbraw/zinc/36/48/13/1065364813.db2.gz WQPCQQKQXIPXQS-UHFFFAOYSA-N 0 3 497.688 3.179 20 0 JGADHN Cc1ccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H](c2cccs2)N(C)C)cc1 ZINC001492287425 1065380448 /nfs/dbraw/zinc/38/04/48/1065380448.db2.gz DZHLVTZOBHTUSR-FQEVSTJZSA-N 0 3 495.653 3.148 20 0 JGADHN Cc1ccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H](c2cccs2)N(C)C)cc1 ZINC001492287426 1065380532 /nfs/dbraw/zinc/38/05/32/1065380532.db2.gz DZHLVTZOBHTUSR-HXUWFJFHSA-N 0 3 495.653 3.148 20 0 JGADHN Cc1ccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H](c2cccs2)N(C)C)cc1 ZINC001492288526 1065383383 /nfs/dbraw/zinc/38/33/83/1065383383.db2.gz YPRCSZJXUBKWRJ-HXUWFJFHSA-N 0 3 476.610 3.483 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCC[C@H](CN4CCCC[C@@H]4C)C3)n2CCS(C)(=O)=O)cc1 ZINC001492372416 1065438019 /nfs/dbraw/zinc/43/80/19/1065438019.db2.gz ZQZHCDZIGSIXPT-FCHUYYIVSA-N 0 3 489.686 3.301 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(CCC(C)(C)C)CC3)n2CC2(C(N)=O)CCOCC2)cc1 ZINC001492391991 1065464461 /nfs/dbraw/zinc/46/44/61/1065464461.db2.gz VTDOLKZSHCFVNB-UHFFFAOYSA-N 0 3 498.672 3.006 20 0 JGADHN Cc1ccc(S(=O)(=O)NCCn2c(CC(C)(C)C)nnc2N2CCN(C(C)(C)C)CC2)s1 ZINC001492437162 1065492764 /nfs/dbraw/zinc/49/27/64/1065492764.db2.gz SLARFUOLIDXUPA-UHFFFAOYSA-N 0 3 482.720 3.136 20 0 JGADHN CO[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2cccc(F)c2)N(C)C)CC[C@H]1C ZINC001300846024 1065589191 /nfs/dbraw/zinc/58/91/91/1065589191.db2.gz ZLBSCXAHJZCSQT-NLSFWIRASA-N 0 3 469.609 3.443 20 0 JGADHN COC[C@H](C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001300984638 1065796295 /nfs/dbraw/zinc/79/62/95/1065796295.db2.gz GLGZSFMRODLQBS-HXUWFJFHSA-N 0 3 471.646 3.305 20 0 JGADHN COC[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CCCCC2)CC1)OC ZINC001301031460 1065872097 /nfs/dbraw/zinc/87/20/97/1065872097.db2.gz XELDDIOVLWQRSG-QFIPXVFZSA-N 0 3 461.582 3.112 20 0 JGADHN COCc1ccc(Cn2c(N3C[C@@H](C)[C@H](N4CCCN(C(C)=O)CC4)C3)nnc2C(C)(C)C)cc1 ZINC001301165455 1066001644 /nfs/dbraw/zinc/00/16/44/1066001644.db2.gz XBCONWFMJUMJHA-HYBUGGRVSA-N 0 3 482.673 3.149 20 0 JGADHN COCC1=CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(N(C)C)CCCC2)CC1 ZINC001301184782 1066014832 /nfs/dbraw/zinc/01/48/32/1066014832.db2.gz AHJPFWXLZTXZTC-UHFFFAOYSA-N 0 3 473.643 3.006 20 0 JGADHN COC[C@@H]1CCCCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccc(F)cc2)N(C)C)C1 ZINC001301247862 1066065004 /nfs/dbraw/zinc/06/50/04/1066065004.db2.gz BBWDEFVAIZDAGT-KNQAVFIVSA-N 0 3 472.609 3.095 20 0 JGADHN COC[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C2CCCCC2)N(C)C)C1 ZINC001301298446 1066105326 /nfs/dbraw/zinc/10/53/26/1066105326.db2.gz LJAUOUMKIJYILP-CVDCTZTESA-N 0 3 489.686 3.332 20 0 JGADHN COC[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](c2cccc(OC)c2)N(C)C)C1 ZINC001301328543 1066121514 /nfs/dbraw/zinc/12/15/14/1066121514.db2.gz JVEVYPMGNNICPC-CVDCTZTESA-N 0 3 450.587 3.433 20 0 JGADHN COC[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2N(C)CCCC2(C)C)CCO1 ZINC001301345102 1066136626 /nfs/dbraw/zinc/13/66/26/1066136626.db2.gz FIUDSTJJSOCYJK-VXKWHMMOSA-N 0 3 484.645 3.119 20 0 JGADHN COC[C@H]1CN(c2nnc(Cc3ccsc3)n2CCN(C)Cc2ccc(F)cc2)C[C@H](C)O1 ZINC001301398366 1066179504 /nfs/dbraw/zinc/17/95/04/1066179504.db2.gz CYLYXQQLUIXNEI-PGRDOPGGSA-N 0 3 473.618 3.442 20 0 JGADHN COC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2C[C@H](c2cccc(F)c2)N(C)C)C[C@@H](C)O1 ZINC001301399841 1066180316 /nfs/dbraw/zinc/18/03/16/1066180316.db2.gz QDMKLNNXQUSTIG-URZJWIJPSA-N 0 3 488.633 3.316 20 0 JGADHN COC[C@@H]1CN(c2nnc(CCc3ccccc3)n2C[C@@H](c2cccs2)N(C)C)CCO1 ZINC001301402725 1066183596 /nfs/dbraw/zinc/18/35/96/1066183596.db2.gz KOZBCJGRRUVHTB-SFTDATJTSA-N 0 3 455.628 3.279 20 0 JGADHN CC(=O)NCCN(Cc1ccsc1)c1nnc(C2CCCC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001301948033 1066240247 /nfs/dbraw/zinc/24/02/47/1066240247.db2.gz JBRBPSVDJGZVIO-UHFFFAOYSA-N 0 3 487.718 3.166 20 0 JGADHN COCC[C@@](C)(O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001301438680 1066242065 /nfs/dbraw/zinc/24/20/65/1066242065.db2.gz QHUOIQULVIZOSZ-RUZDIDTESA-N 0 3 467.618 3.043 20 0 JGADHN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@H](C1CC1)N(C)C ZINC001301983814 1066292230 /nfs/dbraw/zinc/29/22/30/1066292230.db2.gz QIYKAYRENWQIRR-SPYBWZPUSA-N 0 3 498.491 3.306 20 0 JGADHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](C1CC1)N(C)C ZINC001301988467 1066304288 /nfs/dbraw/zinc/30/42/88/1066304288.db2.gz DUGXARWFPCDIFI-VWKPWSFCSA-N 0 3 458.632 3.024 20 0 JGADHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCN(CCc2ccccc2)C1 ZINC001301990990 1066309951 /nfs/dbraw/zinc/30/99/51/1066309951.db2.gz MERLPQUJWWLFPO-URVUXULASA-N 0 3 484.670 3.096 20 0 JGADHN CCCN1CCCC[C@H]1C(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001301494151 1066319054 /nfs/dbraw/zinc/31/90/54/1066319054.db2.gz JXAUODFSXSLOQQ-FQEVSTJZSA-N 0 3 452.640 3.005 20 0 JGADHN C[C@H]([C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC1(N(C)C)CCCC1)S(C)(=O)=O ZINC001301994637 1066320396 /nfs/dbraw/zinc/32/03/96/1066320396.db2.gz CVSJTXBRTVFCGP-RBUKOAKNSA-N 0 3 486.686 3.482 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CC=CCC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001301999601 1066331939 /nfs/dbraw/zinc/33/19/39/1066331939.db2.gz HESRVTALTDNJRA-GGAORHGYSA-N 0 3 455.603 3.060 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CC=C(C)CC2)n1Cc1ccccc1CN1CCC(O)CC1 ZINC001302001018 1066334942 /nfs/dbraw/zinc/33/49/42/1066334942.db2.gz QYRGDHTYKVTLSK-OAQYLSRUSA-N 0 3 469.630 3.164 20 0 JGADHN COCC[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C(C)C)N2CCCC2)C1 ZINC001301507291 1066336373 /nfs/dbraw/zinc/33/63/73/1066336373.db2.gz ZSKYFUKBFVLSHX-NFBKMPQASA-N 0 3 489.686 3.332 20 0 JGADHN COCCCCCn1c(C2CCCC2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001301539155 1066367113 /nfs/dbraw/zinc/36/71/13/1066367113.db2.gz GAUFNWIOHZHDJD-NFBKMPQASA-N 0 3 460.667 3.131 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CC[C@@H]3OCCC[C@H]3C2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001302049606 1066433694 /nfs/dbraw/zinc/43/36/94/1066433694.db2.gz XGWIYKAUDVHWLW-VLSUOOLDSA-N 0 3 475.609 3.449 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCCC2(C)C)n1Cc1ccccc1CN1CCC(O)CC1 ZINC001302058430 1066456714 /nfs/dbraw/zinc/45/67/14/1066456714.db2.gz TVOUTRZBBBINON-HXUWFJFHSA-N 0 3 471.646 3.386 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCCC3(CCCC3)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001302064634 1066463952 /nfs/dbraw/zinc/46/39/52/1066463952.db2.gz DIGBLXNJGJMTGU-OAQYLSRUSA-N 0 3 462.683 3.189 20 0 JGADHN COCCCN(c1nnc(-c2ccc(Cl)cc2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001301618019 1066470174 /nfs/dbraw/zinc/47/01/74/1066470174.db2.gz KRFVTHMIJBMEMQ-HXUWFJFHSA-N 0 3 496.077 3.113 20 0 JGADHN CC(C)(C)c1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1C[C@H](c1cccs1)N1CCCC1 ZINC001302079050 1066493376 /nfs/dbraw/zinc/49/33/76/1066493376.db2.gz WFKUBSGNRHSTQM-RTBURBONSA-N 0 3 494.731 3.240 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1cnn(Cc2ccccc2)c1 ZINC001302080968 1066498860 /nfs/dbraw/zinc/49/88/60/1066498860.db2.gz RBJCNEBGKUUYHR-NRFANRHFSA-N 0 3 481.645 3.216 20 0 JGADHN CC(=O)N(C)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 ZINC001301638739 1066502711 /nfs/dbraw/zinc/50/27/11/1066502711.db2.gz VVOORHLYNKEEJW-UPVQGACJSA-N 0 3 468.646 3.231 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1Cc1cccc2c1OCO2 ZINC001302089526 1066516477 /nfs/dbraw/zinc/51/64/77/1066516477.db2.gz OQTHUEQEENQXAQ-LJQANCHMSA-N 0 3 473.618 3.337 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCN(CC(C)C)CC2)n1Cc1nc2c(s1)C[C@H](C)CC2 ZINC001302092341 1066520676 /nfs/dbraw/zinc/52/06/76/1066520676.db2.gz ILHJEIIDYMOYAL-RTBURBONSA-N 0 3 476.691 3.410 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1Cc1sccc1C ZINC001302096160 1066526542 /nfs/dbraw/zinc/52/65/42/1066526542.db2.gz XQRAIQDEVDJFDC-RTBURBONSA-N 0 3 463.648 3.110 20 0 JGADHN CC(C)(C)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001302096951 1066528597 /nfs/dbraw/zinc/52/85/97/1066528597.db2.gz PXZRFQSCGDVTBS-GOSISDBHSA-N 0 3 482.551 3.119 20 0 JGADHN CC(C)(C)c1nnc(N2CCN(CC3CCOCC3)CC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 ZINC001302097211 1066528981 /nfs/dbraw/zinc/52/89/81/1066528981.db2.gz SRLGBHBGVACZSE-LJQANCHMSA-N 0 3 472.600 3.008 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1C[C@@H](c1cccs1)N1CCCC1 ZINC001302112891 1066553758 /nfs/dbraw/zinc/55/37/58/1066553758.db2.gz SISYNWPUSKMCDX-FYQPLNBISA-N 0 3 463.648 3.108 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1C[C@H](c1cccs1)N1CCCC1 ZINC001302112893 1066554326 /nfs/dbraw/zinc/55/43/26/1066554326.db2.gz SISYNWPUSKMCDX-WTGUMLROSA-N 0 3 463.648 3.108 20 0 JGADHN COCCN(C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001301703836 1066592445 /nfs/dbraw/zinc/59/24/45/1066592445.db2.gz SXEYCNXBEYEWTD-QFIPXVFZSA-N 0 3 470.643 3.008 20 0 JGADHN CC(=O)N1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 ZINC001301705795 1066595656 /nfs/dbraw/zinc/59/56/56/1066595656.db2.gz PHWITYITORZKQO-QHCPKHFHSA-N 0 3 481.670 3.304 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)(C)C)n3CCc3cccs3)C[C@@H]2C)CC1 ZINC001301707063 1066596816 /nfs/dbraw/zinc/59/68/16/1066596816.db2.gz AYURTEOKLHBSHG-RXVVDRJESA-N 0 3 458.676 3.259 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3Cc3ccccc3F)C[C@@H]2C)CC1 ZINC001301707024 1066596873 /nfs/dbraw/zinc/59/68/73/1066596873.db2.gz ANSGDTMJJQSOSK-PGRDOPGGSA-N 0 3 456.610 3.142 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3Cc3ccc(C)cc3C)C[C@@H]2C)CC1 ZINC001301707304 1066597668 /nfs/dbraw/zinc/59/76/68/1066597668.db2.gz BSPIMKGJEPVBJW-XUZZJYLKSA-N 0 3 452.647 3.446 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C)n3CC(C)(C)c3ccccc3F)C[C@@H]2C)CC1 ZINC001301708274 1066600207 /nfs/dbraw/zinc/60/02/07/1066600207.db2.gz KPAXBXMSARKVFR-MBSDFSHPSA-N 0 3 456.610 3.082 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CC(C)(C)O)C[C@@H]2C)CC1 ZINC001301708476 1066601208 /nfs/dbraw/zinc/60/12/08/1066601208.db2.gz NQCRMMOPVZJHDA-GBXCKJPGSA-N 0 3 496.700 3.392 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)(C)C)n3CCOCCC(C)C)C[C@@H]2C)CC1 ZINC001301708423 1066601220 /nfs/dbraw/zinc/60/12/20/1066601220.db2.gz MQHOYFKZFGVHLG-UNMCSNQZSA-N 0 3 462.683 3.017 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cccc(C)n4)n3CCOCCC(C)C)C[C@H]2C)CC1 ZINC001301708474 1066601336 /nfs/dbraw/zinc/60/13/36/1066601336.db2.gz NOKLBKZTPRFCEK-PXDATVDWSA-N 0 3 497.688 3.090 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4cccc(C)n4)n3CCOCCC(C)C)C[C@H]2C)CC1 ZINC001301708472 1066601397 /nfs/dbraw/zinc/60/13/97/1066601397.db2.gz NOKLBKZTPRFCEK-BWKNWUBXSA-N 0 3 497.688 3.090 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)(C)C)n3CCCNc3ccccn3)C[C@H]2C)CC1 ZINC001301708994 1066602019 /nfs/dbraw/zinc/60/20/19/1066602019.db2.gz RCLIPVZCNOTJPL-FYYLOGMGSA-N 0 3 496.704 3.143 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(CC(C)(C)C)n3CCCNc3ccccn3)C[C@@H]2C)CC1 ZINC001301708996 1066602037 /nfs/dbraw/zinc/60/20/37/1066602037.db2.gz RCLIPVZCNOTJPL-GMAHTHKFSA-N 0 3 496.704 3.143 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc([C@@H]4CCCCO4)n3CCCC(F)(F)F)C[C@H]2C)CC1 ZINC001301708524 1066602091 /nfs/dbraw/zinc/60/20/91/1066602091.db2.gz OLOBEHRLVQDUTA-RLLQIKCJSA-N 0 3 486.583 3.241 20 0 JGADHN COCCO[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC001302159221 1066616159 /nfs/dbraw/zinc/61/61/59/1066616159.db2.gz KZKBZLTUSMMASD-YTFSRNRJSA-N 0 3 457.619 3.373 20 0 JGADHN CC(C)(C)Cc1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccc(CS(C)(=O)=O)cc1 ZINC001302164860 1066626212 /nfs/dbraw/zinc/62/62/12/1066626212.db2.gz GNPZPRHPNXPVFC-UHFFFAOYSA-N 0 3 461.676 3.380 20 0 JGADHN COCCN(C)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 ZINC001301721642 1066627702 /nfs/dbraw/zinc/62/77/02/1066627702.db2.gz JRJIXRIQAGNILQ-AXHZCLLHSA-N 0 3 494.036 3.034 20 0 JGADHN COCCN(C)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC2(C1)CCOCC2 ZINC001301723106 1066633728 /nfs/dbraw/zinc/63/37/28/1066633728.db2.gz WCEANBJGISZGSR-IBGZPJMESA-N 0 3 461.582 3.142 20 0 JGADHN COCCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](c2cccc(F)c2)N(C)C)C1 ZINC001302175994 1066650496 /nfs/dbraw/zinc/65/04/96/1066650496.db2.gz MVTDMTXQASMKGR-GGAORHGYSA-N 0 3 468.577 3.332 20 0 JGADHN COCCN(C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)Cc1nccs1 ZINC001301731761 1066651295 /nfs/dbraw/zinc/65/12/95/1066651295.db2.gz OHIVXLFYXJRVGS-UHFFFAOYSA-N 0 3 493.678 3.064 20 0 JGADHN COCCN(C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC001301732126 1066652128 /nfs/dbraw/zinc/65/21/28/1066652128.db2.gz REPSAGJKUQYOLG-PMACEKPBSA-N 0 3 478.682 3.453 20 0 JGADHN COCCN(C)CCn1c([C@H]2CCCCO2)nnc1N1CCc2cccc(Br)c2C1 ZINC001301733339 1066653968 /nfs/dbraw/zinc/65/39/68/1066653968.db2.gz XUOAQTXOVHKEGI-HXUWFJFHSA-N 0 3 478.435 3.423 20 0 JGADHN CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2ccc(F)cc2)N(C)C)[C@H](C)C1 ZINC001301735439 1066657319 /nfs/dbraw/zinc/65/73/19/1066657319.db2.gz ZQFKZIDSQIFWQC-WZONZLPQSA-N 0 3 465.577 3.148 20 0 JGADHN COCCN(C)CCn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001301735838 1066657950 /nfs/dbraw/zinc/65/79/50/1066657950.db2.gz FTYUGAGURZQJQK-IEBWSBKVSA-N 0 3 455.525 3.378 20 0 JGADHN COCCN(C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(C)C)C1 ZINC001301740090 1066660744 /nfs/dbraw/zinc/66/07/44/1066660744.db2.gz JFYFHWYSOGAAOL-PMACEKPBSA-N 0 3 464.655 3.411 20 0 JGADHN COCCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1N(C)CCCC1(C)C)[C@H]1CC[C@@H](C)C1 ZINC001301740341 1066661236 /nfs/dbraw/zinc/66/12/36/1066661236.db2.gz BMVIZUIUOADJIW-HKBOAZHASA-N 0 3 460.667 3.276 20 0 JGADHN COCCOCc1ccc(Cn2c(C(C)C)nnc2N2CCN(C3CCOCC3)C[C@H]2C)cc1 ZINC001302189337 1066668387 /nfs/dbraw/zinc/66/83/87/1066668387.db2.gz HOZCARYTCOSLDR-OAQYLSRUSA-N 0 3 471.646 3.302 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2(O)CCOC2)CC1 ZINC001302191822 1066675587 /nfs/dbraw/zinc/67/55/87/1066675587.db2.gz BVVOKUFJHZIWHY-DEOSSOPVSA-N 0 3 462.038 3.232 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@@]2(C)COCCO2)CC1 ZINC001302193769 1066680234 /nfs/dbraw/zinc/68/02/34/1066680234.db2.gz UURXQWXOEJVYKU-VWLOTQADSA-N 0 3 459.610 3.372 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)NCc2ccccc2)CC1 ZINC001302194320 1066681185 /nfs/dbraw/zinc/68/11/85/1066681185.db2.gz ZAYQZVMAUBANCN-HSZRJFAPSA-N 0 3 482.673 3.437 20 0 JGADHN CC(C)(C)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001302202418 1066697856 /nfs/dbraw/zinc/69/78/56/1066697856.db2.gz FSZYSWRZCBYEOS-KRWDZBQOSA-N 0 3 466.508 3.097 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(COc3ccc(F)cc3)n2CCNC(=O)c2cccs2)CC1 ZINC001302203158 1066699136 /nfs/dbraw/zinc/69/91/36/1066699136.db2.gz OWQQKZMTLCGLEJ-UHFFFAOYSA-N 0 3 486.617 3.408 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(Cc3ccccn3)n2Cc2cccnc2OCC(F)F)CC1 ZINC001302203085 1066699299 /nfs/dbraw/zinc/69/92/99/1066699299.db2.gz NUCRVRZTHFYDCG-UHFFFAOYSA-N 0 3 471.556 3.272 20 0 JGADHN COCCOCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001302208088 1066705624 /nfs/dbraw/zinc/70/56/24/1066705624.db2.gz BQUIZOFIMGMRLT-UHFFFAOYSA-N 0 3 467.618 3.309 20 0 JGADHN COCCN(CC(C)C)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001301770316 1066713588 /nfs/dbraw/zinc/71/35/88/1066713588.db2.gz LHMGZQGRCJZFHV-QFIPXVFZSA-N 0 3 468.646 3.175 20 0 JGADHN COc1ccc(C(=O)N2CCC[C@H]2C(=O)N[C@@H]2CCN(Cc3cccc(C)c3)C2)c(OC)c1 ZINC001301781684 1066731484 /nfs/dbraw/zinc/73/14/84/1066731484.db2.gz FTVFPKPLCZQXEQ-OFNKIYASSA-N 0 3 451.567 3.008 20 0 JGADHN CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H]1CCCCO1 ZINC001302239722 1066761792 /nfs/dbraw/zinc/76/17/92/1066761792.db2.gz CHNLHIMYEOPHSN-UXHICEINSA-N 0 3 492.665 3.076 20 0 JGADHN CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H]1CCCCO1 ZINC001302239720 1066761802 /nfs/dbraw/zinc/76/18/02/1066761802.db2.gz CHNLHIMYEOPHSN-PMACEKPBSA-N 0 3 492.665 3.076 20 0 JGADHN CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1CC(F)(F)F ZINC001302242785 1066770438 /nfs/dbraw/zinc/77/04/38/1066770438.db2.gz WRDLGCFOJRJEQJ-OAHLLOKOSA-N 0 3 476.544 3.069 20 0 JGADHN COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC001301816952 1066773642 /nfs/dbraw/zinc/77/36/42/1066773642.db2.gz ZDOIGBUQBYEYDH-UHFFFAOYSA-N 0 3 454.619 3.494 20 0 JGADHN CC(C)(C)OC(=O)N[C@H]1CCCN(c2nnc(Cc3ccccn3)n2CCN2CC=CCC2)C1 ZINC001302245377 1066775224 /nfs/dbraw/zinc/77/52/24/1066775224.db2.gz WSPPPHZRTJLJND-NRFANRHFSA-N 0 3 467.618 3.019 20 0 JGADHN CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2CCN2CC=CCC2)C1 ZINC001302245378 1066775272 /nfs/dbraw/zinc/77/52/72/1066775272.db2.gz WSPPPHZRTJLJND-OAQYLSRUSA-N 0 3 467.618 3.019 20 0 JGADHN COCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001301828304 1066794158 /nfs/dbraw/zinc/79/41/58/1066794158.db2.gz YGOWFBXQEROCHV-HSZRJFAPSA-N 0 3 454.663 3.494 20 0 JGADHN CC(=O)N[C@@H]1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@H](c2cccc(F)c2)N(C)C)C1 ZINC001301830423 1066796366 /nfs/dbraw/zinc/79/63/66/1066796366.db2.gz YGUPFKPNRKKURE-IFMALSPDSA-N 0 3 485.633 3.181 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2nccs2)n1C[C@@H](c1ccccc1)N(C)C ZINC001302257928 1066803036 /nfs/dbraw/zinc/80/30/36/1066803036.db2.gz HSCBDKMPDDAIQI-ZJOUEHCJSA-N 0 3 456.616 3.398 20 0 JGADHN CC(C)(C)OC(=O)NCCCCn1c(-c2ccc[nH]2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001302262291 1066809243 /nfs/dbraw/zinc/80/92/43/1066809243.db2.gz CFUOEYVMYZHJIT-UHFFFAOYSA-N 0 3 487.649 3.127 20 0 JGADHN COCCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001301844034 1066816451 /nfs/dbraw/zinc/81/64/51/1066816451.db2.gz GARVBOBCUBKYIJ-NRFANRHFSA-N 0 3 458.676 3.130 20 0 JGADHN CC(C)(C)OC(=O)NCCn1c(CCCc2ccccc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001302276108 1066842010 /nfs/dbraw/zinc/84/20/10/1066842010.db2.gz YGJCLWFEAQKFMF-HSZRJFAPSA-N 0 3 498.672 3.137 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C)[C@H](OC)C2)n1C[C@H](c1ccc(C)cc1)N(C)C ZINC001302277666 1066844585 /nfs/dbraw/zinc/84/45/85/1066844585.db2.gz JVCDFGKHEFADOE-IPKGGZNWSA-N 0 3 471.646 3.475 20 0 JGADHN CC(=O)NC[C@@H]1CCCN(c2nnc(CC(C)C)n2C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC001301867801 1066859205 /nfs/dbraw/zinc/85/92/05/1066859205.db2.gz NFJMJDJZWYYNSH-DQEYMECFSA-N 0 3 482.673 3.120 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(CC(C)C)CC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001302310592 1066903925 /nfs/dbraw/zinc/90/39/25/1066903925.db2.gz CRRUCJLOYSNXSN-ACRUOGEOSA-N 0 3 494.681 3.036 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(CCC(C)(C)C)CC2)n1CCn1cc(Cl)cn1 ZINC001302311973 1066906676 /nfs/dbraw/zinc/90/66/76/1066906676.db2.gz RWXOXJCYKZLORE-ICSRJNTNSA-N 0 3 480.057 3.110 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C(C)C)C2)n1C[C@@H](c1cccs1)N(C)C ZINC001302312237 1066907046 /nfs/dbraw/zinc/90/70/46/1066907046.db2.gz XBBAJEYTQWLXSR-IWFBPKFRSA-N 0 3 463.648 3.228 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(CC(C)C)CC2)n1CCSC(F)(F)F ZINC001302312596 1066908096 /nfs/dbraw/zinc/90/80/96/1066908096.db2.gz XXAFYCOFJSTDIY-HOTGVXAUSA-N 0 3 451.559 3.033 20 0 JGADHN COCCN1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](c2ccco2)N(C)C)C[C@@H]1C ZINC001301896438 1066919297 /nfs/dbraw/zinc/91/92/97/1066919297.db2.gz JVFGKMCPIOFSOB-UNMCSNQZSA-N 0 3 452.603 3.306 20 0 JGADHN CC(=O)NC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@@H](c2cccs2)N(C)C)CCO1 ZINC001301904887 1066930383 /nfs/dbraw/zinc/93/03/83/1066930383.db2.gz WWVWTCOCWIVYTH-XLIONFOSSA-N 0 3 489.045 3.304 20 0 JGADHN CC(C)(O)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001302362549 1066952795 /nfs/dbraw/zinc/95/27/95/1066952795.db2.gz NRBKDKRLARZDMZ-UHFFFAOYSA-N 0 3 484.464 3.089 20 0 JGADHN CC(C)(O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001302363536 1066953690 /nfs/dbraw/zinc/95/36/90/1066953690.db2.gz GTFNNKGEVQJUKO-UHFFFAOYSA-N 0 3 496.425 3.166 20 0 JGADHN CC(C)=CCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001302388743 1066969607 /nfs/dbraw/zinc/96/96/07/1066969607.db2.gz GUNGGKZXBHFESQ-QHCPKHFHSA-N 0 3 466.630 3.265 20 0 JGADHN CO[C@H]1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001302390514 1066970971 /nfs/dbraw/zinc/97/09/71/1066970971.db2.gz OBCUKMRUCQGMJL-YADHBBJMSA-N 0 3 470.662 3.286 20 0 JGADHN CC(C)C(=O)N1CCCN(c2nnc(-c3cccnc3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 ZINC001302393053 1066972176 /nfs/dbraw/zinc/97/21/76/1066972176.db2.gz CCICEMGFGHDYJF-HSZRJFAPSA-N 0 3 479.604 3.477 20 0 JGADHN CO[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2N(C)CCCC2(C)C)C[C@@H]1OC ZINC001302405961 1066987651 /nfs/dbraw/zinc/98/76/51/1066987651.db2.gz NDAPPFCBARXSGM-BHIFYINESA-N 0 3 484.645 3.118 20 0 JGADHN CO[C@@H]1CN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCN2CCCCC2)C[C@@H]1OC ZINC001302407533 1066989503 /nfs/dbraw/zinc/98/95/03/1066989503.db2.gz QLIXNVNHXWVEMQ-MZYLBHOOSA-N 0 3 457.619 3.371 20 0 JGADHN CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CCN(C)Cc2ccc(F)cc2)C1 ZINC001302412069 1066996926 /nfs/dbraw/zinc/99/69/26/1066996926.db2.gz RKAKSVRTNITBTR-OAQYLSRUSA-N 0 3 467.593 3.285 20 0 JGADHN CC(C)C(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2cccs2)N(C)C)C1 ZINC001302417214 1066999524 /nfs/dbraw/zinc/99/95/24/1066999524.db2.gz HXJNACLLWKUMBO-VAMGGRTRSA-N 0 3 474.675 3.278 20 0 JGADHN CC(C)C(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2cccs2)N(C)C)C1 ZINC001302417213 1066999673 /nfs/dbraw/zinc/99/96/73/1066999673.db2.gz HXJNACLLWKUMBO-AQNXPRMDSA-N 0 3 474.675 3.278 20 0 JGADHN CC(C)C(=O)NC1CCN(c2nnc(-c3cccn3C)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 ZINC001302420535 1067005863 /nfs/dbraw/zinc/00/58/63/1067005863.db2.gz GGPBBUCXLLBPSJ-HSZRJFAPSA-N 0 3 481.620 3.467 20 0 JGADHN CS(=O)(=O)c1cccc(-c2nnc(N3CCC[C@H](C(F)F)C3)n2CCCN2CCCC2)c1 ZINC001302428662 1067014414 /nfs/dbraw/zinc/01/44/14/1067014414.db2.gz APILYQHUKGDILS-SFHVURJKSA-N 0 3 467.586 3.316 20 0 JGADHN CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@@H](c2cccc(F)c2)N(C)C)C1 ZINC001302432527 1067022042 /nfs/dbraw/zinc/02/20/42/1067022042.db2.gz XAHPZTFJTIWMKF-CVDCTZTESA-N 0 3 494.619 3.166 20 0 JGADHN CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Br)cc3)n2CCCN2CCCC2)C1 ZINC001302433428 1067024118 /nfs/dbraw/zinc/02/41/18/1067024118.db2.gz BHSJDOGBFGSHBT-LJQANCHMSA-N 0 3 496.475 3.207 20 0 JGADHN CCN1CCC[C@H](NC(=O)Cc2cc(Br)cc(I)c2)C1 ZINC001303981191 1067028306 /nfs/dbraw/zinc/02/83/06/1067028306.db2.gz ODXMAXUPFYWKFE-AWEZNQCLSA-N 0 3 451.146 3.197 20 0 JGADHN CC1=C(Br)CN(c2nnc(Cc3ccncc3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001304005155 1067047719 /nfs/dbraw/zinc/04/77/19/1067047719.db2.gz RUOXHNBYTNFBBA-UHFFFAOYSA-N 0 3 488.478 3.169 20 0 JGADHN Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)c1C ZINC001304011728 1067054918 /nfs/dbraw/zinc/05/49/18/1067054918.db2.gz YASILSZPRBSHIB-HSZRJFAPSA-N 0 3 495.672 3.180 20 0 JGADHN Cc1cccc(O[C@@H](C)c2nnc(N(C)CCn3cccn3)n2CCN2CCN(C)C(C)(C)C2)c1C ZINC001304017027 1067060816 /nfs/dbraw/zinc/06/08/16/1067060816.db2.gz CPOATZSYVIPJGE-QHCPKHFHSA-N 0 3 494.688 3.394 20 0 JGADHN Cc1cccc(O[C@H](C)c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2CCN2CCCCC2)c1C ZINC001304019490 1067063332 /nfs/dbraw/zinc/06/33/32/1067063332.db2.gz JTSRAKYGEWGGCY-CJFMBICVSA-N 0 3 454.619 3.223 20 0 JGADHN CC(C)C(=O)NCCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001302472072 1067076507 /nfs/dbraw/zinc/07/65/07/1067076507.db2.gz ZDHVMJRMJMETHK-UHFFFAOYSA-N 0 3 463.026 3.203 20 0 JGADHN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(C4CCOCC4)C[C@H]3C)n2CC(=O)NC(C)C)c1C ZINC001304031972 1067080838 /nfs/dbraw/zinc/08/08/38/1067080838.db2.gz YQFRYQRDWLKJBX-IRLDBZIGSA-N 0 3 498.672 3.249 20 0 JGADHN CC(C)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)C(F)(F)[C@@H](C)C1)N1CCCC1 ZINC001302523054 1067143290 /nfs/dbraw/zinc/14/32/90/1067143290.db2.gz HJJLNTYZZQNAHH-ZSYWTGECSA-N 0 3 473.634 3.028 20 0 JGADHN CC(C)[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)N1CCCC1 ZINC001302529122 1067157934 /nfs/dbraw/zinc/15/79/34/1067157934.db2.gz RXZAZLBQOMFFAF-TZIWHRDSSA-N 0 3 496.077 3.254 20 0 JGADHN CC(C)c1ccccc1OCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001302536662 1067168486 /nfs/dbraw/zinc/16/84/86/1067168486.db2.gz JYNGUEHUIWBJEM-HXUWFJFHSA-N 0 3 454.619 3.352 20 0 JGADHN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C(C)C)n1CCN1CCN(C)C(C)(C)C1 ZINC001304133838 1067172523 /nfs/dbraw/zinc/17/25/23/1067172523.db2.gz OAVIOFYTQYNADX-UHFFFAOYSA-N 0 3 455.651 3.119 20 0 JGADHN CC(C)c1ncc(CN(C)c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2CCCC2)cn1 ZINC001302551448 1067187654 /nfs/dbraw/zinc/18/76/54/1067187654.db2.gz HOUOJLGGNBPFOT-UHFFFAOYSA-N 0 3 497.669 3.384 20 0 JGADHN CS[C@H](C)Cn1c(CCOc2ccccc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001302566528 1067205796 /nfs/dbraw/zinc/20/57/96/1067205796.db2.gz GJHVIWZTMLOHGL-HXUWFJFHSA-N 0 3 459.660 3.200 20 0 JGADHN Cc1cc(C)c(Cn2c(N3CCN(C(=O)[C@H]4CCCN4C)CC3)nnc2C(C)(C)C)c(C)c1 ZINC001304163454 1067210369 /nfs/dbraw/zinc/21/03/69/1067210369.db2.gz YVRSKBQWYJAIGO-JOCHJYFZSA-N 0 3 452.647 3.292 20 0 JGADHN CS[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCC(CN2CCOCC2)CC1)C(C)(C)C ZINC001302579992 1067217828 /nfs/dbraw/zinc/21/78/28/1067217828.db2.gz LDFYUOLLRBRYTM-SFTDATJTSA-N 0 3 465.708 3.498 20 0 JGADHN Cc1nccn1CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CC(C)C)CC1 ZINC001304182266 1067231664 /nfs/dbraw/zinc/23/16/64/1067231664.db2.gz MRNAOFNRZPENRZ-UHFFFAOYSA-N 0 3 451.619 3.457 20 0 JGADHN CC(C)c1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1C[C@H](C)N1CCc2ccccc2C1 ZINC001302595225 1067232898 /nfs/dbraw/zinc/23/28/98/1067232898.db2.gz PNLZYHIEHRLKEN-FDFHNCONSA-N 0 3 454.663 3.394 20 0 JGADHN Cc1cc(C)cc(OCc2nnc(N3CCN(CC(C)C)CC3)n2CCCN2CCOC2=O)c1 ZINC001304183156 1067233404 /nfs/dbraw/zinc/23/34/04/1067233404.db2.gz VZOSKIKPKQTTNL-UHFFFAOYSA-N 0 3 470.618 3.094 20 0 JGADHN Cc1cc(-c2nnc(N(C)CCS(C)(=O)=O)n2C[C@H](C)N2CCC[C@@H](C)C2)c2ccccc2n1 ZINC001304192251 1067243128 /nfs/dbraw/zinc/24/31/28/1067243128.db2.gz NZPYFMUGQRZKCB-QUCCMNQESA-N 0 3 484.670 3.403 20 0 JGADHN Cc1cc(-c2nnc(N3CCN(CC(C)C)CC3)n2CC(=O)NCC(F)(F)F)c2ccccc2n1 ZINC001304196479 1067245934 /nfs/dbraw/zinc/24/59/34/1067245934.db2.gz LDYVCXLRYKVTKF-UHFFFAOYSA-N 0 3 489.546 3.258 20 0 JGADHN CC(C)c1nnc(N2CCC(N3CCCNC3=O)CC2)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001302633961 1067263127 /nfs/dbraw/zinc/26/31/27/1067263127.db2.gz RFVBEHRJHVQKLX-NRFANRHFSA-N 0 3 457.598 3.228 20 0 JGADHN Cc1cc(Cl)ccc1OCCCc1nnc(N2CCN(CC(C)C)CC2)n1Cc1ncn(C)n1 ZINC001304231902 1067269308 /nfs/dbraw/zinc/26/93/08/1067269308.db2.gz BASUFAQGVOSCBO-UHFFFAOYSA-N 0 3 487.052 3.206 20 0 JGADHN CS[C@H]1CCCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(C)Cc2ccc(F)cc2)C1 ZINC001302670745 1067296643 /nfs/dbraw/zinc/29/66/43/1067296643.db2.gz BGNIYMHFKRPCDT-PMACEKPBSA-N 0 3 460.623 3.222 20 0 JGADHN Cc1ccc(C(=O)NCCn2c(Cc3ccncc3)nnc2N2CCN(C(C)(C)C)CC2)cc1F ZINC001304265683 1067298754 /nfs/dbraw/zinc/29/87/54/1067298754.db2.gz BGXZYIPBXIMHFT-UHFFFAOYSA-N 0 3 479.604 3.062 20 0 JGADHN CC(C)c1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001302674161 1067299919 /nfs/dbraw/zinc/29/99/19/1067299919.db2.gz JZOIHHPTPXXMRO-UHFFFAOYSA-N 0 3 473.710 3.047 20 0 JGADHN Cc1ccc([C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC3(CCCC3)C2)N(C)C)cc1 ZINC001304273029 1067308662 /nfs/dbraw/zinc/30/86/62/1067308662.db2.gz HTPWMFJFSMWWRX-TZIWHRDSSA-N 0 3 474.675 3.270 20 0 JGADHN Cc1ccc([C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)N(C)C)cc1 ZINC001304276032 1067314399 /nfs/dbraw/zinc/31/43/99/1067314399.db2.gz RZQROOSOXFLBAN-ISJBWFOZSA-N 0 3 468.646 3.482 20 0 JGADHN CC(C)c1nnc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1C[C@H](c1ccccc1)N(C)C ZINC001302689715 1067314654 /nfs/dbraw/zinc/31/46/54/1067314654.db2.gz PKRGIBGUHQZQEE-ISKFKSNPSA-N 0 3 481.689 3.227 20 0 JGADHN CC(C)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001302691049 1067315873 /nfs/dbraw/zinc/31/58/73/1067315873.db2.gz BHDOETKOPXKNEJ-AVRDEDQJSA-N 0 3 467.536 3.010 20 0 JGADHN CC(C)c1nnc(N2CCN(C3CCOCC3)CC2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001302691203 1067316561 /nfs/dbraw/zinc/31/65/61/1067316561.db2.gz XRVMRZRXMPDMJG-UHFFFAOYSA-N 0 3 474.650 3.270 20 0 JGADHN CC(C)c1nnc(N2CCN(CCN(C)Cc3ccccc3)CC2)n1CC1(C(=O)N(C)C)CCCC1 ZINC001302698191 1067323390 /nfs/dbraw/zinc/32/33/90/1067323390.db2.gz IREXZMXHWTXWMW-UHFFFAOYSA-N 0 3 495.716 3.304 20 0 JGADHN Cc1ccc(C)c(OCc2nnc(N3CCN(C(C)(C)C)CC3)n2CCc2ccn(C)n2)c1 ZINC001304288301 1067331728 /nfs/dbraw/zinc/33/17/28/1067331728.db2.gz DQOKTCLXSNITKI-UHFFFAOYSA-N 0 3 451.619 3.371 20 0 JGADHN Cc1ccc(CN2CC[C@@H](NC(=O)CCNS(=O)(=O)c3ccc(C(C)(C)C)cc3)C2)cc1 ZINC001302723882 1067339227 /nfs/dbraw/zinc/33/92/27/1067339227.db2.gz NSEWTWTWTOBFTE-JOCHJYFZSA-N 0 3 457.640 3.352 20 0 JGADHN Cc1ccc(-c2nnc(N(C)CCCS(C)(=O)=O)n2C[C@@H](C2CCCCC2)N(C)C)o1 ZINC001304303573 1067351470 /nfs/dbraw/zinc/35/14/70/1067351470.db2.gz LFZKOYUUSHPJLR-IBGZPJMESA-N 0 3 451.637 3.228 20 0 JGADHN CSCCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001302748207 1067356325 /nfs/dbraw/zinc/35/63/25/1067356325.db2.gz HKPIZOGKUFGFCA-VQTJNVASSA-N 0 3 451.681 3.395 20 0 JGADHN CC(C)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCCC[C@H]2C)CC1 ZINC001302762182 1067363755 /nfs/dbraw/zinc/36/37/55/1067363755.db2.gz PXJOPQBOCCUYIO-TZIWHRDSSA-N 0 3 451.681 3.317 20 0 JGADHN CC(C)[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCC[C@H]2C)CCO1 ZINC001302769352 1067367942 /nfs/dbraw/zinc/36/79/42/1067367942.db2.gz GWKIMOQFXGLSOK-WIYYLYMNSA-N 0 3 475.037 3.207 20 0 JGADHN Cc1ccc(-c2nnc(N3CCN(C(=O)c4ccc([O-])cc4)CC3)n2CC(C)(C)C[NH+](C)C)o1 ZINC001304322366 1067369958 /nfs/dbraw/zinc/36/99/58/1067369958.db2.gz SRGNKVRFOPLRLQ-UHFFFAOYSA-N 0 3 466.586 3.102 20 0 JGADHN CC(C)[C@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2cccs2)N(C)C)CCS1 ZINC001302781956 1067376062 /nfs/dbraw/zinc/37/60/62/1067376062.db2.gz DTALVGXSFWBPOO-PKOBYXMFSA-N 0 3 462.689 3.343 20 0 JGADHN CSCCCN(C)c1nnc([C@H]2CCOC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001302788394 1067380191 /nfs/dbraw/zinc/38/01/91/1067380191.db2.gz IGHAOAGUWYKJFZ-FCHUYYIVSA-N 0 3 459.660 3.262 20 0 JGADHN CC(C)CC(=O)Nc1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C(C)(C)C)CC2)c1 ZINC001302804748 1067392929 /nfs/dbraw/zinc/39/29/29/1067392929.db2.gz DEJHVBQECVSTLY-UHFFFAOYSA-N 0 3 483.661 3.370 20 0 JGADHN CC(C)C[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1)N(C)C ZINC001302807663 1067395293 /nfs/dbraw/zinc/39/52/93/1067395293.db2.gz HSGSADYQAPCBJN-YPAWHYETSA-N 0 3 489.686 3.188 20 0 JGADHN CC(C)C[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1)N(C)C ZINC001302807660 1067395427 /nfs/dbraw/zinc/39/54/27/1067395427.db2.gz HSGSADYQAPCBJN-BHDDXSALSA-N 0 3 489.686 3.188 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N(C)Cc3ccco3)n2C[C@@H]2CCCN2CCCO)cc1C ZINC001304373970 1067412567 /nfs/dbraw/zinc/41/25/67/1067412567.db2.gz GXONFMBOMHCYRT-NRFANRHFSA-N 0 3 466.586 3.223 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N(C)C[C@H]3CCCO3)n2CCN2CCC[C@H](C)C2)cc1C ZINC001304375785 1067416216 /nfs/dbraw/zinc/41/62/16/1067416216.db2.gz PUJJDXCIIFGUTR-PGRDOPGGSA-N 0 3 454.619 3.494 20 0 JGADHN CC(C)Cc1nnc(N(C)CC(C)(C)CN2CCOCC2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC001302839185 1067425886 /nfs/dbraw/zinc/42/58/86/1067425886.db2.gz AZFWDEBHOREQGZ-FGZHOGPDSA-N 0 3 478.726 3.159 20 0 JGADHN CC(C)Cc1nnc(N(C)Cc2cc(F)cc(F)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001302841675 1067428524 /nfs/dbraw/zinc/42/85/24/1067428524.db2.gz LNZJYSXGUZGGQF-NRFANRHFSA-N 0 3 462.589 3.334 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCN(CC(C)C)CC3)n2C[C@]2(O)CCC[C@@H]2C)cc1C ZINC001304381551 1067429386 /nfs/dbraw/zinc/42/93/86/1067429386.db2.gz AATCMIBAOTUWSU-HFZDXXHNSA-N 0 3 468.646 3.476 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCN(CC(C)C)CC3)n2C[C@]2(O)CCC[C@H]2C)cc1C ZINC001304381553 1067429723 /nfs/dbraw/zinc/42/97/23/1067429723.db2.gz AATCMIBAOTUWSU-QFQXNSOFSA-N 0 3 468.646 3.476 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCCN(C(C)(C)C)CC3)n2CC2([S@@](C)=O)CC2)cc1C ZINC001304382398 1067431106 /nfs/dbraw/zinc/43/11/06/1067431106.db2.gz CULMADRHROCYAH-UUWRZZSWSA-N 0 3 486.686 3.369 20 0 JGADHN CC(C)Cc1nnc(N(C)Cc2ncnn2CC(F)F)n1C[C@H](C)N1CCc2ccccc2C1 ZINC001302851145 1067435564 /nfs/dbraw/zinc/43/55/64/1067435564.db2.gz ZGAUKOQNOSUZQY-SFHVURJKSA-N 0 3 472.588 3.416 20 0 JGADHN CC(C)CN(CC1CC[NH+](C)CC1)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC001302859119 1067441938 /nfs/dbraw/zinc/44/19/38/1067441938.db2.gz KCWPKXZZTAOTRA-UHFFFAOYSA-N 0 3 450.580 3.395 20 0 JGADHN CC(C)Cc1nnc(N2CCC(CN3CCOCC3)CC2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001302892507 1067472860 /nfs/dbraw/zinc/47/28/60/1067472860.db2.gz IFJHXDGUQYVNOV-JOCHJYFZSA-N 0 3 490.693 3.425 20 0 JGADHN CC(C)Cc1nnc(N2CCC(CN3CCOCC3)CC2)n1CCc1nccc(C(F)(F)F)n1 ZINC001302893178 1067473949 /nfs/dbraw/zinc/47/39/49/1067473949.db2.gz SNAQHUKVGLZGIZ-UHFFFAOYSA-N 0 3 481.567 3.077 20 0 JGADHN Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)cc1 ZINC001304410470 1067476492 /nfs/dbraw/zinc/47/64/92/1067476492.db2.gz FQGHTYYKPINYNH-KJWPAHLWSA-N 0 3 489.686 3.299 20 0 JGADHN C[C@@H]1CN(CCN(C)c2nnc(-c3cccc(Cl)c3)n2CCN2CC=CCC2)C[C@H](C)O1 ZINC001302901520 1067485489 /nfs/dbraw/zinc/48/54/89/1067485489.db2.gz LAFIRUITIZZXPO-BGYRXZFFSA-N 0 3 459.038 3.406 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(C(C)(C)C)CC3)n2CCC2(O)CCOCC2)cc1C ZINC001304415976 1067487791 /nfs/dbraw/zinc/48/77/91/1067487791.db2.gz UOGNRCHFXLOSSR-UHFFFAOYSA-N 0 3 471.646 3.326 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(C4CCCC4)CC3)n2CCC(=O)NC(C)C)cc1C ZINC001304419065 1067493188 /nfs/dbraw/zinc/49/31/88/1067493188.db2.gz WAJJKXBEUPLFGC-UHFFFAOYSA-N 0 3 468.646 3.453 20 0 JGADHN FC(F)(F)OCCCn1c(-c2ccccc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001302941805 1067515430 /nfs/dbraw/zinc/51/54/30/1067515430.db2.gz SJXZIRKGTQNXPG-UHFFFAOYSA-N 0 3 453.509 3.420 20 0 JGADHN FC(F)C(F)(F)CN1CCN(c2nnc([C@H]3CCCCO3)n2CCN2CCCCC2)CC1 ZINC001302945971 1067519078 /nfs/dbraw/zinc/51/90/78/1067519078.db2.gz XVUDRCXHOKIDFN-QGZVFWFLSA-N 0 3 462.536 3.028 20 0 JGADHN FC(F)OCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001302956199 1067527960 /nfs/dbraw/zinc/52/79/60/1067527960.db2.gz DYBNCDMRBLDIND-MRXNPFEDSA-N 0 3 455.937 3.386 20 0 JGADHN Cc1cccc(-c2nnc(N(C)C3CCN(CCn4cccn4)CC3)n2CCOC(C)(C)C)n1 ZINC001304452289 1067532829 /nfs/dbraw/zinc/53/28/29/1067532829.db2.gz OOGINYCNHQGSLL-UHFFFAOYSA-N 0 3 466.634 3.261 20 0 JGADHN CC(C)Cc1nnc(N2CCN(CC(F)F)CC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001302962187 1067533589 /nfs/dbraw/zinc/53/35/89/1067533589.db2.gz VPNFJFHWVGLAQQ-JOCHJYFZSA-N 0 3 476.616 3.155 20 0 JGADHN Fc1ccc(OCc2nnc(N3CCC(CN4CCOCC4)CC3)n2CC(F)(F)F)cc1 ZINC001302970718 1067539088 /nfs/dbraw/zinc/53/90/88/1067539088.db2.gz WQDXCZSGACVNFY-UHFFFAOYSA-N 0 3 457.472 3.107 20 0 JGADHN CC(C)Cc1nnc(N2CCO[C@@](C)(c3cnn(C)c3)C2)n1C[C@H](c1cccs1)N(C)C ZINC001302971500 1067539320 /nfs/dbraw/zinc/53/93/20/1067539320.db2.gz FBLSRXRXCFHUTE-AUSIDOKSSA-N 0 3 457.648 3.327 20 0 JGADHN CC(C)C[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)N2CCc3ccccc3C2)C1 ZINC001302990446 1067551901 /nfs/dbraw/zinc/55/19/01/1067551901.db2.gz FFXXPSCATPLMPE-HBMCJLEFSA-N 0 3 488.702 3.208 20 0 JGADHN Cc1cccc(CCCn2c(C(=O)N3CCCC3)nnc2N2CCN(CCC(C)(C)C)CC2)n1 ZINC001304482108 1067561651 /nfs/dbraw/zinc/56/16/51/1067561651.db2.gz KSVOZHKIPSBHRD-UHFFFAOYSA-N 0 3 467.662 3.409 20 0 JGADHN Cc1cccc(OCc2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCCC2)c1 ZINC001304502393 1067576687 /nfs/dbraw/zinc/57/66/87/1067576687.db2.gz HYQNPRQEUAQJDW-HXUWFJFHSA-N 0 3 475.659 3.053 20 0 JGADHN CC(C)CCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001303034261 1067580971 /nfs/dbraw/zinc/58/09/71/1067580971.db2.gz MXEIDSNTLLKZLM-UHFFFAOYSA-N 0 3 474.600 3.328 20 0 JGADHN Cc1cccc(OCc2nnc(N3CCN(C4CCOCC4)C[C@@H]3C)n2CCCNC(=O)C(C)C)c1 ZINC001304511862 1067587896 /nfs/dbraw/zinc/58/78/96/1067587896.db2.gz IPSCNFGVOGTCIT-QFIPXVFZSA-N 0 3 498.672 3.017 20 0 JGADHN Cc1ccccc1-c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1C[C@H](c1ccsc1)N(C)C ZINC001304532266 1067603702 /nfs/dbraw/zinc/60/37/02/1067603702.db2.gz NQEFCTAQYHQVRW-OAQYLSRUSA-N 0 3 488.683 3.136 20 0 JGADHN Cc1ccccc1Cc1nnc(N(C)[C@H](C)CS(C)(=O)=O)n1CC(C)(C)CN1CCCC1 ZINC001304548210 1067617193 /nfs/dbraw/zinc/61/71/93/1067617193.db2.gz UHSDYCWBNDQRID-HXUWFJFHSA-N 0 3 461.676 3.169 20 0 JGADHN Cc1ccccc1Cc1nnc(N2CCCC2(C)C)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001304556322 1067625207 /nfs/dbraw/zinc/62/52/07/1067625207.db2.gz JFLRYLJHGCPNDB-JOCHJYFZSA-N 0 3 452.647 3.499 20 0 JGADHN Cc1ccccc1Cc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCN(C)C(=O)OC(C)(C)C ZINC001304560613 1067630323 /nfs/dbraw/zinc/63/03/23/1067630323.db2.gz HKDYAFWFILVJKH-JOCHJYFZSA-N 0 3 498.672 3.203 20 0 JGADHN Cc1ccccc1Cc1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@@H](C)N1CCOCC1 ZINC001304562468 1067632687 /nfs/dbraw/zinc/63/26/87/1067632687.db2.gz WMAISVBPGBJENO-HSZRJFAPSA-N 0 3 468.690 3.456 20 0 JGADHN Cc1ccccc1O[C@@H](C)Cn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1C(C)(C)C ZINC001304575276 1067644192 /nfs/dbraw/zinc/64/41/92/1067644192.db2.gz YUQSZCNTKFQEQR-SFTDATJTSA-N 0 3 468.646 3.094 20 0 JGADHN CC(C)CCOC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C)C2CCCC2)CC1 ZINC001303110409 1067648596 /nfs/dbraw/zinc/64/85/96/1067648596.db2.gz VGWRWEQDCUQXOU-FQEVSTJZSA-N 0 3 481.707 3.086 20 0 JGADHN OCCCCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001303149484 1067687812 /nfs/dbraw/zinc/68/78/12/1067687812.db2.gz JFIIMRIFDKSRSU-SFHVURJKSA-N 0 3 466.001 3.449 20 0 JGADHN CC(C)CN1CCC[C@H](Cn2c(CC(C)(C)C)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001303177718 1067710535 /nfs/dbraw/zinc/71/05/35/1067710535.db2.gz HUAFKOPUBGKPQN-IBGZPJMESA-N 0 3 453.697 3.248 20 0 JGADHN CC(C)CN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(c2)[C@@H](C)[C@H](C)O3)CC1 ZINC001303178585 1067711949 /nfs/dbraw/zinc/71/19/49/1067711949.db2.gz PUUOVCSTKKEFLI-OALUTQOASA-N 0 3 454.619 3.127 20 0 JGADHN CC(C)CN1CCC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C2CCCCC2)C1 ZINC001303179423 1067713328 /nfs/dbraw/zinc/71/33/28/1067713328.db2.gz VPHWVDSXILONDF-UXHICEINSA-N 0 3 451.681 3.317 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCN2CCOC2=O)CC1 ZINC001303181969 1067714008 /nfs/dbraw/zinc/71/40/08/1067714008.db2.gz BWIQITPVXKXWGQ-IBGZPJMESA-N 0 3 474.581 3.178 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H](C)N2CCOCC2)CC1 ZINC001303183068 1067715251 /nfs/dbraw/zinc/71/52/51/1067715251.db2.gz HPJKCOQCJJWZEF-GOSISDBHSA-N 0 3 465.017 3.236 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H](C)N2CCOCC2)CC1 ZINC001303183070 1067715368 /nfs/dbraw/zinc/71/53/68/1067715368.db2.gz HPJKCOQCJJWZEF-SFHVURJKSA-N 0 3 465.017 3.236 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC2CCS(=O)(=O)CC2)CC1 ZINC001303184242 1067717310 /nfs/dbraw/zinc/71/73/10/1067717310.db2.gz QCSQVEOBRYJCQK-UHFFFAOYSA-N 0 3 484.041 3.340 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccc(Br)cc3)n2CCCC(=O)N(C)C)CC1 ZINC001303184317 1067717745 /nfs/dbraw/zinc/71/77/45/1067717745.db2.gz RZSKJGLCYDHCLR-UHFFFAOYSA-N 0 3 477.451 3.354 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccc(Br)s3)n2Cc2cnn(C)c2)CC1 ZINC001303184912 1067718833 /nfs/dbraw/zinc/71/88/33/1067718833.db2.gz YNEVIKQMFCXYDG-UHFFFAOYSA-N 0 3 464.437 3.329 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2C(F)(F)F)CC1 ZINC001303189876 1067724080 /nfs/dbraw/zinc/72/40/80/1067724080.db2.gz GFNMCRREUZLLDO-SFHVURJKSA-N 0 3 450.509 3.074 20 0 JGADHN CC(C)CN1CCN(c2nnc(CC(C)(C)C)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001303195529 1067728653 /nfs/dbraw/zinc/72/86/53/1067728653.db2.gz CLJOQHLUDOOATD-LJQANCHMSA-N 0 3 474.616 3.298 20 0 JGADHN CC(C)CN1CCN(c2nnc(Cc3ccncc3)n2CCOc2ncccc2Cl)CC1 ZINC001303195881 1067729064 /nfs/dbraw/zinc/72/90/64/1067729064.db2.gz IUDNEOYFVWXSOX-UHFFFAOYSA-N 0 3 455.994 3.169 20 0 JGADHN CC(C)CN1CCN(c2nnc(Cc3ccsc3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 ZINC001303197847 1067732612 /nfs/dbraw/zinc/73/26/12/1067732612.db2.gz ZJLICJRTFLJAMC-NRFANRHFSA-N 0 3 484.645 3.192 20 0 JGADHN CC(C)CN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@](C)(O)c2cccs2)CC1 ZINC001303198489 1067733487 /nfs/dbraw/zinc/73/34/87/1067733487.db2.gz CCIHEFOSTNCILF-QHCPKHFHSA-N 0 3 488.683 3.017 20 0 JGADHN CC(C)CN1CCN(c2nnc(COc3ccccc3F)n2CCC(=O)NC(C)(C)C)CC1 ZINC001303198508 1067733774 /nfs/dbraw/zinc/73/37/74/1067733774.db2.gz CPGXZAWFEVAWHK-UHFFFAOYSA-N 0 3 460.598 3.079 20 0 JGADHN Cc1nc(Cc2nnc(N3CCN(CC(C)C)CC3)n2C[C@H](c2ccco2)N(C)C)cs1 ZINC001304669341 1067737378 /nfs/dbraw/zinc/73/73/78/1067737378.db2.gz HEARFEOXLOEYPN-HXUWFJFHSA-N 0 3 457.648 3.308 20 0 JGADHN Cc1nc(Cc2nnc(N3CCC[C@@H](OCC(F)(F)F)C3)n2CCN2CC=CCC2)cs1 ZINC001304669712 1067737834 /nfs/dbraw/zinc/73/78/34/1067737834.db2.gz BWUSVTDCYDQJEE-GOSISDBHSA-N 0 3 470.565 3.443 20 0 JGADHN CC(C)COC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001303212488 1067750121 /nfs/dbraw/zinc/75/01/21/1067750121.db2.gz DNOQVWLUGPIHLY-JOCHJYFZSA-N 0 3 496.591 3.092 20 0 JGADHN Cc1nccc(N2CCN(c3nnc(C(C)(C)C)n3C[C@@H](c3ccc(F)cc3)N(C)C)CC2)n1 ZINC001304699115 1067769374 /nfs/dbraw/zinc/76/93/74/1067769374.db2.gz DCROBSHPTXDFPE-NRFANRHFSA-N 0 3 466.609 3.443 20 0 JGADHN CN(C)CCn1c2cc(C(=O)NC[C@@H]3CCCCCN3C(=O)OC(C)(C)C)ccc2[nH]c1=O ZINC001304706788 1067779065 /nfs/dbraw/zinc/77/90/65/1067779065.db2.gz VYACAJGBYOGZIF-SFHVURJKSA-N 0 3 459.591 3.213 20 0 JGADHN CC(C)N(C)CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC001303272039 1067801203 /nfs/dbraw/zinc/80/12/03/1067801203.db2.gz XTCKYHWZJKCPNT-ZWKOTPCHSA-N 0 3 460.648 3.035 20 0 JGADHN CC(C)N(C)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001303272192 1067801912 /nfs/dbraw/zinc/80/19/12/1067801912.db2.gz ZZOJBVNAVKGGJI-FQEVSTJZSA-N 0 3 485.658 3.079 20 0 JGADHN CC(C)N(Cc1ccco1)c1nnc([C@H]2CCCCO2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001303287063 1067813265 /nfs/dbraw/zinc/81/32/65/1067813265.db2.gz GNBXSTSYKDMYRU-FCHUYYIVSA-N 0 3 472.634 3.470 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N(C)[C@H]3CCSC3)n2CCN(C)Cc2ccc(F)cc2)n1 ZINC001304740682 1067815793 /nfs/dbraw/zinc/81/57/93/1067815793.db2.gz QTACGYDXUYGIQF-NRFANRHFSA-N 0 3 457.623 3.353 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@H](c2cccs2)N2CCCC2)n1 ZINC001304741674 1067818230 /nfs/dbraw/zinc/81/82/30/1067818230.db2.gz ZJTHBNSCAXLAJV-HXUWFJFHSA-N 0 3 498.701 3.389 20 0 JGADHN CC(C)N(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1(c2ccccc2)CC1)C(C)C ZINC001303297312 1067821482 /nfs/dbraw/zinc/82/14/82/1067821482.db2.gz BBVDLWXACVWZTC-NRFANRHFSA-N 0 3 473.687 3.467 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N(C)C[C@H]3CCOC3)n2C[C@@H](c2ccc(F)cc2)N(C)C)n1 ZINC001304744515 1067822754 /nfs/dbraw/zinc/82/27/54/1067822754.db2.gz WTXIJFLTHKJVFG-KNQAVFIVSA-N 0 3 455.582 3.054 20 0 JGADHN CC(C)N1CCC[C@H](Cn2c(COc3ccc(Cl)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001303304112 1067830583 /nfs/dbraw/zinc/83/05/83/1067830583.db2.gz CFPYRRQUSWKWHS-AZUAARDMSA-N 0 3 496.077 3.254 20 0 JGADHN CC(C)N1CCN([C@@H]2CCN(c3nnc(C(C)(C)C)n3CCOc3cccc(F)c3)C2)CC1 ZINC001303316479 1067843772 /nfs/dbraw/zinc/84/37/72/1067843772.db2.gz ACSSGQZGOXNKPO-OAQYLSRUSA-N 0 3 458.626 3.398 20 0 JGADHN CC(C)N1CCN([C@@H]2CCN(c3nnc(C(C)(C)C)n3C[C@](C)(O)c3ccc(F)cc3)C2)CC1 ZINC001303316788 1067844261 /nfs/dbraw/zinc/84/42/61/1067844261.db2.gz IXUWMAYZGDGSOW-GJZUVCINSA-N 0 3 472.653 3.227 20 0 JGADHN CC(C)N1CCN([C@H]2CCN(c3nnc(-c4ccc[nH]4)n3CC(C)(C)C(F)(F)F)C2)CC1 ZINC001303317007 1067844729 /nfs/dbraw/zinc/84/47/29/1067844729.db2.gz MKRAIGRHFRXPAF-KRWDZBQOSA-N 0 3 453.557 3.466 20 0 JGADHN CC(C)N1CCN([C@H]2CCN(c3nnc(-c4ccccc4)n3CCCNC(=O)OC(C)(C)C)C2)CC1 ZINC001303317118 1067845332 /nfs/dbraw/zinc/84/53/32/1067845332.db2.gz QKWCYQICACDZDX-QHCPKHFHSA-N 0 3 497.688 3.465 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N3CCN(C(C)(C)C)CC3)n2CCOc2ncccc2Cl)n1 ZINC001304761580 1067848765 /nfs/dbraw/zinc/84/87/65/1067848765.db2.gz ZRDLUCKKJKUPSF-UHFFFAOYSA-N 0 3 473.025 3.188 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCN(C)Cc2ccc(F)cc2)n1 ZINC001304762534 1067849546 /nfs/dbraw/zinc/84/95/46/1067849546.db2.gz JWLQNQOJJDRYJE-FQEVSTJZSA-N 0 3 495.525 3.178 20 0 JGADHN CC(C)N1CCN([C@@H]2CCN(c3nnc(CC(C)(C)C)n3C[C@H]3CCN(CC(F)(F)F)C3)C2)CC1 ZINC001303318684 1067850755 /nfs/dbraw/zinc/85/07/55/1067850755.db2.gz YIYMBSLRDANRGO-LEWJYISDSA-N 0 3 499.670 3.356 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N3CCOC(C)(C)[C@H]3C)n2C[C@@H](c2ccccc2)N(C)C)n1 ZINC001304763034 1067851077 /nfs/dbraw/zinc/85/10/77/1067851077.db2.gz NPGVQTJFRYBEJN-IRLDBZIGSA-N 0 3 451.619 3.446 20 0 JGADHN CC(C)NC(=O)c1nnc(N(C)Cc2ccc3cnccc3c2)n1C[C@]1(N(C)C)CCSC1 ZINC001303329338 1067857500 /nfs/dbraw/zinc/85/75/00/1067857500.db2.gz BHOBKOIAJPKPAS-XMMPIXPASA-N 0 3 467.643 3.038 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCC(C)(C)CC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001303360095 1067888114 /nfs/dbraw/zinc/88/81/14/1067888114.db2.gz LMHLZNLVRVFNKI-QFIPXVFZSA-N 0 3 468.646 3.334 20 0 JGADHN Cc1nnc(N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001304812625 1067888714 /nfs/dbraw/zinc/88/87/14/1067888714.db2.gz ZUTMSPXFWRQTIM-PMOQBDJRSA-N 0 3 484.645 3.227 20 0 JGADHN Cc1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001304827307 1067895407 /nfs/dbraw/zinc/89/54/07/1067895407.db2.gz VPCFURBJFHERKP-HSZRJFAPSA-N 0 3 484.645 3.371 20 0 JGADHN Cc1nnc(N2CCCN(C(=O)c3ccsc3)CC2)n1CCN(C)Cc1ccc(F)cc1 ZINC001304845524 1067901466 /nfs/dbraw/zinc/90/14/66/1067901466.db2.gz PNNCMDBHTOSYSZ-UHFFFAOYSA-N 0 3 456.591 3.272 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CCCSc1ccccc1 ZINC001303372454 1067901829 /nfs/dbraw/zinc/90/18/29/1067901829.db2.gz LLNLUQIPJLOBMA-JOCHJYFZSA-N 0 3 499.729 3.203 20 0 JGADHN Cc1nnc(N2CCN(C(=O)c3ccccc3[O-])CC2)n1CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001304849524 1067903243 /nfs/dbraw/zinc/90/32/43/1067903243.db2.gz ZFHWQIOMTPIMFP-WOJBJXKFSA-N 0 3 454.619 3.013 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@@H](c1ccccc1)N1CCCC1 ZINC001303374147 1067905479 /nfs/dbraw/zinc/90/54/79/1067905479.db2.gz RLKWJPLQHNXDJR-IBGZPJMESA-N 0 3 494.562 3.147 20 0 JGADHN Cc1noc([C@H](C)N2CCN(c3nnc(C(C)C)n3C[C@@H](c3cccc(F)c3)N(C)C)CC2)n1 ZINC001304872302 1067914444 /nfs/dbraw/zinc/91/44/44/1067914444.db2.gz JZIGVIMYMONJHR-UWJYYQICSA-N 0 3 470.597 3.418 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1Cc1cccnc1OCC(F)F ZINC001303409730 1067936617 /nfs/dbraw/zinc/93/66/17/1067936617.db2.gz KCMGCUBMEWDURD-UHFFFAOYSA-N 0 3 493.603 3.062 20 0 JGADHN Cc1cc(CN2CCN(c3nnc(C(C)(C)C)n3CCN(C)Cc3ccc(F)cc3)CC2)on1 ZINC001304900688 1067944077 /nfs/dbraw/zinc/94/40/77/1067944077.db2.gz STDNZJAGTLOCRV-UHFFFAOYSA-N 0 3 469.609 3.465 20 0 JGADHN CC(C)NC(=O)CCn1c(-c2cccc(Cl)c2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001303423007 1067948221 /nfs/dbraw/zinc/94/82/21/1067948221.db2.gz JFENQBCIFXXCAY-UHFFFAOYSA-N 0 3 499.063 3.311 20 0 JGADHN CC(C)NC(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001303422804 1067948370 /nfs/dbraw/zinc/94/83/70/1067948370.db2.gz GMJLQGPKNXIHFY-UHFFFAOYSA-N 0 3 464.618 3.170 20 0 JGADHN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2cccnc2)n1CC(C)(C)N1C[C@H](C)C[C@H](C)C1 ZINC001304912918 1067956812 /nfs/dbraw/zinc/95/68/12/1067956812.db2.gz RIFXWGUNFWBIRM-PLACYPQZSA-N 0 3 490.718 3.278 20 0 JGADHN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)C[C@H](C)C2)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001304915532 1067959480 /nfs/dbraw/zinc/95/94/80/1067959480.db2.gz DFPXYJVOCDZZCD-ZCNNSNEGSA-N 0 3 488.702 3.208 20 0 JGADHN CC(C)NC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCN(C(C)(C)C)CC1 ZINC001303448535 1067970268 /nfs/dbraw/zinc/97/02/68/1067970268.db2.gz URVFMXUMXYEQGB-UHFFFAOYSA-N 0 3 463.424 3.153 20 0 JGADHN C[C@H](c1ccco1)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@H](C)C[C@H](C)C1 ZINC001304927078 1067972379 /nfs/dbraw/zinc/97/23/79/1067972379.db2.gz INOQGNHSYFNFKG-IYWMVGAKSA-N 0 3 463.648 3.339 20 0 JGADHN C[C@@H]1C[C@H](Cn2c(CC(C)(C)C)nnc2N(C)C2CCN(CCn3cccn3)CC2)CCO1 ZINC001304939627 1067988753 /nfs/dbraw/zinc/98/87/53/1067988753.db2.gz AICLKAHHVWPVJK-NHCUHLMSSA-N 0 3 457.667 3.479 20 0 JGADHN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)CC[C@H]2C)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001304957277 1068002971 /nfs/dbraw/zinc/00/29/71/1068002971.db2.gz DIXVSTISKULZCQ-AQNXPRMDSA-N 0 3 488.702 3.350 20 0 JGADHN CC1CCC(N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCCCC2)CC1 ZINC001304975170 1068014676 /nfs/dbraw/zinc/01/46/76/1068014676.db2.gz NSWSCSUBCJAZEN-IOJLRTSASA-N 0 3 451.681 3.460 20 0 JGADHN CC1CCC(N2CCN(c3nnc([C@H]4CCCCO4)n3CCSCCCO)CC2)CC1 ZINC001304980675 1068020301 /nfs/dbraw/zinc/02/03/01/1068020301.db2.gz QLVCUSWFNZXRMJ-XVAXZDLZSA-N 0 3 451.681 3.336 20 0 JGADHN C[C@@H]1CCC[C@](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@H](C)[C@H](C)C2)(N(C)C)C1 ZINC001304983753 1068025915 /nfs/dbraw/zinc/02/59/15/1068025915.db2.gz FMBFLDCNZYIYFV-ZNOYZCKDSA-N 0 3 451.681 3.173 20 0 JGADHN C[C@H](c1cccc(O)c1)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCC[C@H]1C ZINC001305014971 1068056072 /nfs/dbraw/zinc/05/60/72/1068056072.db2.gz IUAULBZCHRVGIW-SBHAEUEKSA-N 0 3 475.659 3.348 20 0 JGADHN C[C@@H]1CCCCN1CCCn1c(-c2ccccc2Cl)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001305015504 1068057807 /nfs/dbraw/zinc/05/78/07/1068057807.db2.gz JUTIEVKBJAKRGW-MSOLQXFVSA-N 0 3 466.051 3.486 20 0 JGADHN C[C@H]1CCCCN1CCCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001305015509 1068058328 /nfs/dbraw/zinc/05/83/28/1068058328.db2.gz JUTIEVKBJAKRGW-ZWKOTPCHSA-N 0 3 466.051 3.486 20 0 JGADHN CC(C)OC1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccccc2)N(C)C)CC1 ZINC001303530695 1068059670 /nfs/dbraw/zinc/05/96/70/1068059670.db2.gz WLJJEHBCTAOUNS-JOCHJYFZSA-N 0 3 454.619 3.097 20 0 JGADHN C[C@H]1CCCCN1CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1F ZINC001305016571 1068060191 /nfs/dbraw/zinc/06/01/91/1068060191.db2.gz MSKOMQCKOXBPGE-AZUAARDMSA-N 0 3 463.623 3.220 20 0 JGADHN C[C@@H]1CCCCN1CCCn1c(CCOc2ccccc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001305019593 1068066424 /nfs/dbraw/zinc/06/64/24/1068066424.db2.gz LFSCUAMFZPEIPH-GGAORHGYSA-N 0 3 489.686 3.178 20 0 JGADHN C[C@@H]1CCCCN1CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H]1CCCO1 ZINC001305021142 1068069923 /nfs/dbraw/zinc/06/99/23/1068069923.db2.gz WSHPNNGNUNFSES-TZIWHRDSSA-N 0 3 475.659 3.228 20 0 JGADHN C[C@@H]1CCCCN1CCCn1c(Nc2cnn(C)c2)nnc1-c1cccc(S(C)(=O)=O)c1 ZINC001305021546 1068070613 /nfs/dbraw/zinc/07/06/13/1068070613.db2.gz TUAPRTGQPQQKRS-QGZVFWFLSA-N 0 3 457.604 3.090 20 0 JGADHN CC(C)OCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001303548154 1068074841 /nfs/dbraw/zinc/07/48/41/1068074841.db2.gz FAOJKKFWGJNPHC-OAQYLSRUSA-N 0 3 475.037 3.156 20 0 JGADHN CC(C)c1nnc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305023744 1068077009 /nfs/dbraw/zinc/07/70/09/1068077009.db2.gz IWOVXKXSUFJGPL-WOJBJXKFSA-N 0 3 454.619 3.190 20 0 JGADHN CC(C)c1nnc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305023744 1068077025 /nfs/dbraw/zinc/07/70/25/1068077025.db2.gz IWOVXKXSUFJGPL-WOJBJXKFSA-N 0 3 454.619 3.190 20 0 JGADHN C[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)N1CCC[C@@H](C)C1 ZINC001305023972 1068077157 /nfs/dbraw/zinc/07/71/57/1068077157.db2.gz JKISXKVZTINDNT-HLIPFELVSA-N 0 3 466.051 3.342 20 0 JGADHN C[C@H]1CCCN(C(C)(C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001305024558 1068078898 /nfs/dbraw/zinc/07/88/98/1068078898.db2.gz ZOVMFCLBIUUALT-FUHWJXTLSA-N 0 3 481.066 3.127 20 0 JGADHN C[C@H]1CCCN(C(C)(C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001305024560 1068079127 /nfs/dbraw/zinc/07/91/27/1068079127.db2.gz ZOVMFCLBIUUALT-WMZOPIPTSA-N 0 3 481.066 3.127 20 0 JGADHN CC(C)NC(=O)c1nnc(N2C[C@@H](C)O[C@@H](c3ccccc3)C2)n1CCN1CCC[C@@H](C)C1 ZINC001305042019 1068097279 /nfs/dbraw/zinc/09/72/79/1068097279.db2.gz HEEKFOFFRRNASK-KCZVDYSFSA-N 0 3 454.619 3.115 20 0 JGADHN CC(C)NC(=O)c1nnc(N(C)Cc2cc(F)c(F)c(F)c2)n1CCN1CCC[C@@H](C)C1 ZINC001305042348 1068097727 /nfs/dbraw/zinc/09/77/27/1068097727.db2.gz HQXSXFCBOJLSES-OAHLLOKOSA-N 0 3 452.525 3.202 20 0 JGADHN C[C@@H]1CCCN(CCn2c(C(=O)Nc3ccccn3)nnc2N(C)CCOc2ccc(F)cc2)C1 ZINC001305043838 1068100387 /nfs/dbraw/zinc/10/03/87/1068100387.db2.gz TVTJLKYSPUDTJT-LJQANCHMSA-N 0 3 481.576 3.312 20 0 JGADHN CC(C)SCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001303581213 1068105344 /nfs/dbraw/zinc/10/53/44/1068105344.db2.gz IWXCSLBJTSYDCA-UHFFFAOYSA-N 0 3 491.105 3.408 20 0 JGADHN C[C@@H]1CCCN1c1nnc(CCCc2ccccc2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001305059450 1068122796 /nfs/dbraw/zinc/12/27/96/1068122796.db2.gz PBIWRPGFXVUNQZ-GGAORHGYSA-N 0 3 452.647 3.385 20 0 JGADHN C[C@@H]1CCCN1c1nnc(CCCc2ccccc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001305059449 1068122967 /nfs/dbraw/zinc/12/29/67/1068122967.db2.gz PBIWRPGFXVUNQZ-FYYLOGMGSA-N 0 3 452.647 3.385 20 0 JGADHN C[C@H](c1cccc(O)c1)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1cccs1)N(C)C ZINC001303602708 1068133141 /nfs/dbraw/zinc/13/31/41/1068133141.db2.gz OZOXPKKHLFYMBC-ATZDWAIDSA-N 0 3 454.600 3.497 20 0 JGADHN C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)N1CCC(C)CC1 ZINC001305063986 1068134628 /nfs/dbraw/zinc/13/46/28/1068134628.db2.gz JSNAHHKETJYIKJ-RBUKOAKNSA-N 0 3 486.583 3.182 20 0 JGADHN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(C2CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001303603885 1068136580 /nfs/dbraw/zinc/13/65/80/1068136580.db2.gz UNXAWNGHTZIYRW-ZUQCGGBESA-N 0 3 458.676 3.116 20 0 JGADHN C[C@@H](c1ccccc1)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCN(C)C(C)(C)C1 ZINC001303610625 1068145148 /nfs/dbraw/zinc/14/51/48/1068145148.db2.gz OEMMATUOWQATDC-FQEVSTJZSA-N 0 3 476.629 3.149 20 0 JGADHN C[C@H](c1ccccc1F)N(C)c1nnc([C@H]2CCCO2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001303613253 1068147523 /nfs/dbraw/zinc/14/75/23/1068147523.db2.gz KOLSLBAANPUSRN-BVYCBKJFSA-N 0 3 472.609 3.409 20 0 JGADHN C[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H](c2cccs2)N(C)C)C1 ZINC001305079284 1068152964 /nfs/dbraw/zinc/15/29/64/1068152964.db2.gz LMWYTRPYKAARBL-XLIONFOSSA-N 0 3 488.683 3.406 20 0 JGADHN C[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H](c2cccs2)N(C)C)C1 ZINC001305079281 1068153069 /nfs/dbraw/zinc/15/30/69/1068153069.db2.gz LMWYTRPYKAARBL-FXAWDEMLSA-N 0 3 488.683 3.406 20 0 JGADHN CC1CCN(CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001305102317 1068168473 /nfs/dbraw/zinc/16/84/73/1068168473.db2.gz PRQQKSKMVVBJIL-MOPGFXCFSA-N 0 3 491.624 3.471 20 0 JGADHN CC1CCN(CCCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC(C)(C)OC[C@@H]2C)CC1 ZINC001305104231 1068171966 /nfs/dbraw/zinc/17/19/66/1068171966.db2.gz CKPGIOAGXSWBEU-FQEVSTJZSA-N 0 3 489.686 3.474 20 0 JGADHN CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)n1CCN1CCC(C)CC1 ZINC001305107000 1068175748 /nfs/dbraw/zinc/17/57/48/1068175748.db2.gz MAGGGHTYHYZHCM-FPYOTAMTSA-N 0 3 474.675 3.083 20 0 JGADHN C[C@@H](CC(N)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](c1cccs1)N(C)C ZINC001303648095 1068176177 /nfs/dbraw/zinc/17/61/77/1068176177.db2.gz GUWNMFPTDVEMKK-FXAWDEMLSA-N 0 3 478.626 3.195 20 0 JGADHN C[C@@H](CC(N)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](c1cccs1)N(C)C ZINC001303648098 1068176278 /nfs/dbraw/zinc/17/62/78/1068176278.db2.gz GUWNMFPTDVEMKK-PXNSSMCTSA-N 0 3 478.626 3.195 20 0 JGADHN C[C@@H](CC(N)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](c1ccco1)N1CCCC1 ZINC001303651682 1068181047 /nfs/dbraw/zinc/18/10/47/1068181047.db2.gz CZLXXZOHRRYPBH-JZJXAQOMSA-N 0 3 472.634 3.327 20 0 JGADHN CC(C)N1CCN(c2nnc(COc3ccccc3F)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001305112384 1068186804 /nfs/dbraw/zinc/18/68/04/1068186804.db2.gz LGDUVXZCRUXVLD-OYRHEFFESA-N 0 3 488.652 3.414 20 0 JGADHN C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(F)cc2)n1C[C@@H](c1cccs1)N(C)C ZINC001305115905 1068195186 /nfs/dbraw/zinc/19/51/86/1068195186.db2.gz AAELFKSGHUGURS-LPHOPBHVSA-N 0 3 472.590 3.028 20 0 JGADHN C[C@@H](CCn1c(-c2ccccn2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)N(C)Cc1ccccc1 ZINC001303664450 1068197237 /nfs/dbraw/zinc/19/72/37/1068197237.db2.gz KTRRALBJVRHZCW-UNMCSNQZSA-N 0 3 482.654 3.264 20 0 JGADHN C[C@@H](CCn1c(-c2cnccn2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)N(C)Cc1ccccc1 ZINC001303666024 1068199369 /nfs/dbraw/zinc/19/93/69/1068199369.db2.gz WELSZPYATWIAIM-RBBKRZOGSA-N 0 3 497.669 3.049 20 0 JGADHN C[C@@H](CCn1c(-c2ccccc2Cl)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)N1CCCCC1 ZINC001303666067 1068200085 /nfs/dbraw/zinc/20/00/85/1068200085.db2.gz WMSAQZLHGIWEBK-ZWKOTPCHSA-N 0 3 466.051 3.486 20 0 JGADHN C[C@H](CCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](S(C)(=O)=O)C1)N1CCCCC1 ZINC001303667089 1068201425 /nfs/dbraw/zinc/20/14/25/1068201425.db2.gz FYJQOOAADLHMAF-CTNGQTDRSA-N 0 3 477.650 3.286 20 0 JGADHN C[C@@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccccc1F)N1CCCCC1 ZINC001303666867 1068201447 /nfs/dbraw/zinc/20/14/47/1068201447.db2.gz FVTXCZJQAXXCGV-PMACEKPBSA-N 0 3 493.649 3.099 20 0 JGADHN C[C@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C)C(C)(C)C1)N1CCCCC1 ZINC001303668825 1068203530 /nfs/dbraw/zinc/20/35/30/1068203530.db2.gz QELKXOKZNPMOJA-XUVXKRRUSA-N 0 3 451.681 3.317 20 0 JGADHN C[C@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCC(F)(F)F)N(C)Cc1ccccc1 ZINC001303669909 1068204519 /nfs/dbraw/zinc/20/45/19/1068204519.db2.gz WKSWSRXJFXXIBF-MJGOQNOKSA-N 0 3 487.592 3.479 20 0 JGADHN C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001303674004 1068211597 /nfs/dbraw/zinc/21/15/97/1068211597.db2.gz IWAHTMVHPFRTKM-MOPGFXCFSA-N 0 3 464.655 3.206 20 0 JGADHN C[C@@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)N(C)C ZINC001303721873 1068271040 /nfs/dbraw/zinc/27/10/40/1068271040.db2.gz IQUKQPHAPPKRQV-KSSFIOAISA-N 0 3 467.492 3.089 20 0 JGADHN C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)N(C)C1CC1 ZINC001303728259 1068282781 /nfs/dbraw/zinc/28/27/81/1068282781.db2.gz KXUGUHQCXPJHQG-OAHLLOKOSA-N 0 3 450.509 3.094 20 0 JGADHN C[C@H](Cn1c(CCCc2ccccc2)nnc1N1CCN(C(C)(C)C)CC1)N1CCOCC1 ZINC001303734120 1068290190 /nfs/dbraw/zinc/29/01/90/1068290190.db2.gz BUCFJOIYBJDVHM-JOCHJYFZSA-N 0 3 454.663 3.095 20 0 JGADHN C[C@@H](CN1CCCC1)Cn1c(Cc2ccc(F)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001303746800 1068307731 /nfs/dbraw/zinc/30/77/31/1068307731.db2.gz WIUDWNAFCYEONP-UGKGYDQZSA-N 0 3 477.650 3.143 20 0 JGADHN C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCN2CCN(C)C(C)(C)C2)C[C@H](C(F)(F)F)O1 ZINC001305190144 1068311506 /nfs/dbraw/zinc/31/15/06/1068311506.db2.gz DWISRZFSVJUGFX-YLJYHZDGSA-N 0 3 498.569 3.190 20 0 JGADHN C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](c2cccs2)N(C)C)C[C@@H](C)O1 ZINC001305211902 1068341990 /nfs/dbraw/zinc/34/19/90/1068341990.db2.gz VCLLJBUBSOPKJV-ZACQAIPSSA-N 0 3 474.656 3.248 20 0 JGADHN C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCN2CCN(C)C(C)(C)C2)CC(C)(C)O1 ZINC001305214437 1068347754 /nfs/dbraw/zinc/34/77/54/1068347754.db2.gz FBZGOMMJINGOAI-LJQANCHMSA-N 0 3 474.625 3.026 20 0 JGADHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCN2CC=CCC2)C1 ZINC001303799090 1068391880 /nfs/dbraw/zinc/39/18/80/1068391880.db2.gz RXRZKJUHLRDEJE-SFTDATJTSA-N 0 3 481.645 3.265 20 0 JGADHN C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001305248195 1068404454 /nfs/dbraw/zinc/40/44/54/1068404454.db2.gz BHUVDPGGYAIIRH-DFBJGRDBSA-N 0 3 475.609 3.094 20 0 JGADHN C[C@H](c1cccs1)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1)N(C)C ZINC001303805518 1068408873 /nfs/dbraw/zinc/40/88/73/1068408873.db2.gz ZCPJTVSPXZSLNO-SCTDSRPQSA-N 0 3 476.672 3.450 20 0 JGADHN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)C2CCCCC2)n1C[C@H](C)N1CCc2ccccc2C1 ZINC001303805498 1068408900 /nfs/dbraw/zinc/40/89/00/1068408900.db2.gz DMPWJOYRBNVULK-RBUKOAKNSA-N 0 3 474.675 3.104 20 0 JGADHN C[C@H]1SCCN(c2nnc(CN3CCCC3=O)n2CCN(C)Cc2ccc(F)cc2)[C@H]1C ZINC001305256975 1068419831 /nfs/dbraw/zinc/41/98/31/1068419831.db2.gz ILGQTSKJKACMFQ-ZWKOTPCHSA-N 0 3 460.623 3.002 20 0 JGADHN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)[C@@H]3CCCC[C@H]32)n1CCN(C)Cc1ccc(F)cc1 ZINC001303827174 1068446353 /nfs/dbraw/zinc/44/63/53/1068446353.db2.gz OSCOXVZCRXOOMF-YHDSQAASSA-N 0 3 492.665 3.174 20 0 JGADHN CCC(=O)N[C@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2ccccc2)N(C)C)C1 ZINC001305268574 1068457919 /nfs/dbraw/zinc/45/79/19/1068457919.db2.gz PKFXVJNMTDQPBZ-GOTSBHOMSA-N 0 3 461.614 3.062 20 0 JGADHN CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@@H](c2ccc(F)cc2)N(C)C)C1 ZINC001305271004 1068467256 /nfs/dbraw/zinc/46/72/56/1068467256.db2.gz YRLGFYCCOYIQRM-VXKWHMMOSA-N 0 3 465.577 3.277 20 0 JGADHN CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@@H](c2ccc(F)cc2)N(C)C)C1 ZINC001305271006 1068467367 /nfs/dbraw/zinc/46/73/67/1068467367.db2.gz YRLGFYCCOYIQRM-YADHBBJMSA-N 0 3 465.577 3.277 20 0 JGADHN CC[C@@](C)(O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001305290639 1068493795 /nfs/dbraw/zinc/49/37/95/1068493795.db2.gz ZHCDRSZDLWNFRH-KBMIEXCESA-N 0 3 475.609 3.267 20 0 JGADHN CC[C@@](C)(O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001305313056 1068525053 /nfs/dbraw/zinc/52/50/53/1068525053.db2.gz ORZUWPHMDISDMM-QFQXNSOFSA-N 0 3 471.646 3.324 20 0 JGADHN CC[C@](C)(O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001305313697 1068526084 /nfs/dbraw/zinc/52/60/84/1068526084.db2.gz GDTMZQSYGCNQEC-ONFVETCGSA-N 0 3 463.667 3.047 20 0 JGADHN CC(C)N1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCCN2CCOCC2)CC1 ZINC001303897364 1068538390 /nfs/dbraw/zinc/53/83/90/1068538390.db2.gz INXQAQWFKWFZSU-NRFANRHFSA-N 0 3 474.625 3.200 20 0 JGADHN CC(C)N1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCN2CCSCC2)CC1 ZINC001303898425 1068540762 /nfs/dbraw/zinc/54/07/62/1068540762.db2.gz PDENPROXUYZCGY-IBGZPJMESA-N 0 3 462.639 3.136 20 0 JGADHN CC[C@H](C)[C@](C)(O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001305322533 1068541682 /nfs/dbraw/zinc/54/16/82/1068541682.db2.gz OWNCNUQYUIGMHV-OKPIPSCLSA-N 0 3 486.661 3.023 20 0 JGADHN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(C(C)(C)C)CC2)n1CCC(=O)N(C)C ZINC001303912622 1068561027 /nfs/dbraw/zinc/56/10/27/1068561027.db2.gz QFQFCVJYGXICIP-KRWDZBQOSA-N 0 3 463.026 3.470 20 0 JGADHN CC[C@H](C)[C@](C)(O)Cn1c(CCOc2ccccc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001305333959 1068563717 /nfs/dbraw/zinc/56/37/17/1068563717.db2.gz KLIAQZLFRRWVTO-OREGWCPLSA-N 0 3 485.673 3.386 20 0 JGADHN C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@H]2C)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001303925964 1068582349 /nfs/dbraw/zinc/58/23/49/1068582349.db2.gz GIVDCULALLFZBF-SVFBPWRDSA-N 0 3 472.609 3.489 20 0 JGADHN C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H]2C)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001303925963 1068582781 /nfs/dbraw/zinc/58/27/81/1068582781.db2.gz GIVDCULALLFZBF-IRFCIJBXSA-N 0 3 472.609 3.489 20 0 JGADHN CC[C@H](C)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC(CN2CCOCC2)CC1)OC ZINC001305352375 1068599091 /nfs/dbraw/zinc/59/90/91/1068599091.db2.gz LGCDIYCAUOHNMK-CVDCTZTESA-N 0 3 456.635 3.258 20 0 JGADHN CC[C@H](C)[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CCOCC2)CC1)OC ZINC001305356849 1068606022 /nfs/dbraw/zinc/60/60/22/1068606022.db2.gz BEJYNBIDRZUANM-WMZHIEFXSA-N 0 3 475.609 3.358 20 0 JGADHN CC[C@H](C)c1nnc(N(C)C[C@@H]2COc3ccccc3O2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001305390982 1068636092 /nfs/dbraw/zinc/63/60/92/1068636092.db2.gz GMRVWSKIGMNAFV-PCCBWWKXSA-N 0 3 456.635 3.094 20 0 JGADHN CC[C@H](C)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC001305410817 1068649440 /nfs/dbraw/zinc/64/94/40/1068649440.db2.gz OQZRCFMPSZXWAD-JQVVWYNYSA-N 0 3 454.619 3.304 20 0 JGADHN CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)n1CC(C)(C)SC ZINC001305413004 1068651912 /nfs/dbraw/zinc/65/19/12/1068651912.db2.gz SKVNRKZKBWDSEE-NSHGMRRFSA-N 0 3 450.697 3.312 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305424695 1068660114 /nfs/dbraw/zinc/66/01/14/1068660114.db2.gz GHIKVYMYYAIFFU-NRFANRHFSA-N 0 3 496.704 3.376 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC(C)(c3nc(C)no3)CC2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001305432738 1068669808 /nfs/dbraw/zinc/66/98/08/1068669808.db2.gz ZGYKFGHKPOPDHJ-RBUKOAKNSA-N 0 3 458.655 3.067 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC(CN3CCOCC3)CC2)n1Cc1cccc(C(=O)N(C)C)c1 ZINC001305442685 1068677783 /nfs/dbraw/zinc/67/77/83/1068677783.db2.gz HBRQVKDVPRLIOC-FQEVSTJZSA-N 0 3 468.646 3.090 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCC(CN3CCOCC3)CC2)n1CCC(=O)N1CCCCCC1 ZINC001305445515 1068680363 /nfs/dbraw/zinc/68/03/63/1068680363.db2.gz RLKSWIJLTUIAPG-OAQYLSRUSA-N 0 3 460.667 3.133 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC(Cn3nc(C)cc3C)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001305446003 1068681017 /nfs/dbraw/zinc/68/10/17/1068681017.db2.gz TYNJIBKKDONENZ-RDPSFJRHSA-N 0 3 498.720 3.464 20 0 JGADHN CC[C@H](C)c1nnc(N2CC[C@H](N3CCN(CC)CC3)C2)n1C[C@@](O)(c1ccccc1)C(F)(F)F ZINC001305460986 1068703727 /nfs/dbraw/zinc/70/37/27/1068703727.db2.gz YRJSOFBGJAFBBL-ZCVJKFOLSA-N 0 3 494.606 3.458 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)c3ccccn3)CC2)n1C[C@H](c1ccccc1)N(C)C ZINC001305509228 1068747992 /nfs/dbraw/zinc/74/79/92/1068747992.db2.gz FNPBAIAUHCVDIP-NZQKXSOJSA-N 0 3 461.614 3.452 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCc1cccc(F)c1F ZINC001305512683 1068756091 /nfs/dbraw/zinc/75/60/91/1068756091.db2.gz DBZJIEWQDHUJLZ-SFHVURJKSA-N 0 3 460.573 3.057 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001305513156 1068756639 /nfs/dbraw/zinc/75/66/39/1068756639.db2.gz IKEMEAQFSHVCIZ-VLCRHTCISA-N 0 3 472.609 3.061 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)N3CCCC3)CC2)n1C[C@@H](c1cccc(OC)c1)N(C)C ZINC001305514251 1068760156 /nfs/dbraw/zinc/76/01/56/1068760156.db2.gz MLDUOHFDLIWPIR-OFNKIYASSA-N 0 3 483.661 3.441 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)OCc3ccccc3)CC2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001305517427 1068766121 /nfs/dbraw/zinc/76/61/21/1068766121.db2.gz FYBWONADGQPXNO-PKTZIBPZSA-N 0 3 497.688 3.276 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)OCc3ccccc3)CC2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001305517421 1068766171 /nfs/dbraw/zinc/76/61/71/1068766171.db2.gz FYBWONADGQPXNO-DHIUTWEWSA-N 0 3 497.688 3.276 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C[C@@H]3CCCO3)CC2)n1C[C@@H](c1cccc(OC)c1)N(C)C ZINC001305540744 1068810557 /nfs/dbraw/zinc/81/05/57/1068810557.db2.gz FFXWKRSHVGKDNG-OYDLWJJNSA-N 0 3 470.662 3.404 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(CC3CCOCC3)CC2)n1CCC(=O)Nc1ccccc1 ZINC001305544553 1068820537 /nfs/dbraw/zinc/82/05/37/1068820537.db2.gz QUDKAEMMZCFVHA-FQEVSTJZSA-N 0 3 454.619 3.369 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(CCOC)[C@H](C)C2)n1CC1(CN2CCOCC2)CCCCC1 ZINC001305546019 1068824185 /nfs/dbraw/zinc/82/41/85/1068824185.db2.gz QEPWAFZSTMUSPV-DHIUTWEWSA-N 0 3 476.710 3.231 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(CCOC)[C@H](C)C2)n1CC1(CN2CCOCC2)CCCCC1 ZINC001305546022 1068824498 /nfs/dbraw/zinc/82/44/98/1068824498.db2.gz QEPWAFZSTMUSPV-XZOQPEGZSA-N 0 3 476.710 3.231 20 0 JGADHN CC[C@H](C)N(C)CCn1c(-c2ccccc2Br)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 ZINC001305606169 1068873066 /nfs/dbraw/zinc/87/30/66/1068873066.db2.gz LFYFBDSVLSQRGJ-IRXDYDNUSA-N 0 3 498.491 3.451 20 0 JGADHN CC[C@@H](C)N(C)CCn1c(-c2cc(C)nc3ccccc32)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001305606839 1068874465 /nfs/dbraw/zinc/87/44/65/1068874465.db2.gz IMUGIGQOIKEYJF-RTBURBONSA-N 0 3 470.643 3.155 20 0 JGADHN CC[C@H](C)N(C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)CCS(C)(=O)=O ZINC001305607066 1068875282 /nfs/dbraw/zinc/87/52/82/1068875282.db2.gz LIMYNVIKOFAQPG-AWEZNQCLSA-N 0 3 462.447 3.463 20 0 JGADHN CC[C@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCSC2(CCCCC2)C1 ZINC001305616785 1068896695 /nfs/dbraw/zinc/89/66/95/1068896695.db2.gz IGPVDZPUFIJWRG-OALUTQOASA-N 0 3 469.721 3.167 20 0 JGADHN CC[C@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccc(F)c1)C1CC1 ZINC001305616949 1068897324 /nfs/dbraw/zinc/89/73/24/1068897324.db2.gz JKPDWUOIUKYCPR-HKUYNNGSSA-N 0 3 463.623 3.219 20 0 JGADHN CC[C@@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccc(F)c1)C1CC1 ZINC001305616951 1068897393 /nfs/dbraw/zinc/89/73/93/1068897393.db2.gz JKPDWUOIUKYCPR-MJGOQNOKSA-N 0 3 463.623 3.219 20 0 JGADHN CC[C@@H](C)N(C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001305619248 1068902655 /nfs/dbraw/zinc/90/26/55/1068902655.db2.gz FWTLBJSYXKBXBX-XRXFAXGQSA-N 0 3 483.723 3.331 20 0 JGADHN CC[C@H](C)NC(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001305631585 1068937582 /nfs/dbraw/zinc/93/75/82/1068937582.db2.gz JKTWVRAZQADHKB-IBGZPJMESA-N 0 3 489.064 3.452 20 0 JGADHN CC[C@@H](C)NC(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCN(C2CCOCC2)CC1 ZINC001305641245 1068959155 /nfs/dbraw/zinc/95/91/55/1068959155.db2.gz KMQJIJGUJFSWBQ-JOCHJYFZSA-N 0 3 498.672 3.080 20 0 JGADHN CC[C@@H](c1nnc(N2CCN(C(C)(C)C)CC2)n1CC1(C(N)=O)CCOCC1)c1ccccc1 ZINC001305670643 1069017406 /nfs/dbraw/zinc/01/74/06/1069017406.db2.gz ASODRAISBGZKSH-OAQYLSRUSA-N 0 3 468.646 3.023 20 0 JGADHN CCC(CC)(Cn1c(C2CCC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1)OC ZINC001305692634 1069061299 /nfs/dbraw/zinc/06/12/99/1069061299.db2.gz IPQURZFGIWDSTR-SIKLNZKXSA-N 0 3 460.667 3.130 20 0 JGADHN CCC(CC)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC(S(=O)(=O)CC)CC1)N(C)C ZINC001305708616 1069101188 /nfs/dbraw/zinc/10/11/88/1069101188.db2.gz WPONXVKTFDAZEV-OAQYLSRUSA-N 0 3 464.680 3.054 20 0 JGADHN CCC(CC)[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](C(=O)OC)C1)N1CCOCC1 ZINC001305709309 1069104140 /nfs/dbraw/zinc/10/41/40/1069104140.db2.gz OPQWKFNERUNWQA-FYYLOGMGSA-N 0 3 485.629 3.090 20 0 JGADHN CCC(CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CC2(F)F)CC1)N(C)C ZINC001305715422 1069121217 /nfs/dbraw/zinc/12/12/17/1069121217.db2.gz MGZKFMVGPBCRES-AABGKKOBSA-N 0 3 487.661 3.418 20 0 JGADHN CCC(CC)[C@H](Cn1c(CCc2ccccc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)N(C)C ZINC001305716577 1069122988 /nfs/dbraw/zinc/12/29/88/1069122988.db2.gz QHZKNHHGECNQPR-JYFHCDHNSA-N 0 3 487.714 3.445 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N(C)C2CCN(Cc3ccccc3)CC2)n1CC(C)(C)O ZINC001305720592 1069129119 /nfs/dbraw/zinc/12/91/19/1069129119.db2.gz BWCJXINBJGUXEP-UHFFFAOYSA-N 0 3 456.635 3.068 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N(C)Cc2cccs2)n1C[C@@]1(N(C)C)CCSC1 ZINC001305725617 1069141609 /nfs/dbraw/zinc/14/16/09/1069141609.db2.gz SNQFIILHQVEPIY-NRFANRHFSA-N 0 3 450.678 3.332 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc3c(c2)OCCO3)n1CCN1CCC[C@@H]1C ZINC001305726354 1069143506 /nfs/dbraw/zinc/14/35/06/1069143506.db2.gz YZUSFMZWUYKRLN-SFHVURJKSA-N 0 3 470.618 3.088 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@]3(CCOC3)OC(C)(C)C2)n1C[C@@H]1N(C)CCCC1(C)C ZINC001305736047 1069157186 /nfs/dbraw/zinc/15/71/86/1069157186.db2.gz MOARKQQNWCLWJM-FNZWTVRRSA-N 0 3 490.693 3.091 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1Cc1ccccc1-n1cccn1 ZINC001305737201 1069160398 /nfs/dbraw/zinc/16/03/98/1069160398.db2.gz GLOSIGKPNZSMEI-PMACEKPBSA-N 0 3 478.645 3.349 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1CCOc1ncccc1Cl ZINC001305738194 1069163126 /nfs/dbraw/zinc/16/31/26/1069163126.db2.gz LVCYFWAMBABUEC-IRXDYDNUSA-N 0 3 478.041 3.243 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1C[C@H]1CC(=O)N(c2ccccc2)C1 ZINC001305741528 1069173628 /nfs/dbraw/zinc/17/36/28/1069173628.db2.gz STXVOQOHZVKSQB-HBMCJLEFSA-N 0 3 495.672 3.169 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1CCc1sc(C)nc1C ZINC001305742584 1069177365 /nfs/dbraw/zinc/17/73/65/1069177365.db2.gz WABBHYSNYQQGMN-HOTGVXAUSA-N 0 3 461.680 3.431 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)N(CC)C[C@@H]2C)n1CCc1sc(C)nc1C ZINC001305742581 1069177502 /nfs/dbraw/zinc/17/75/02/1069177502.db2.gz WABBHYSNYQQGMN-CVEARBPZSA-N 0 3 461.680 3.431 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)n1CCN1CCCC1 ZINC001305742907 1069178828 /nfs/dbraw/zinc/17/88/28/1069178828.db2.gz CLEATMLRRYFFRT-RTBURBONSA-N 0 3 491.681 3.032 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1CCN1CCC(C)CC1 ZINC001305743170 1069179393 /nfs/dbraw/zinc/17/93/93/1069179393.db2.gz REUHNMJZOACINC-OAQYLSRUSA-N 0 3 460.667 3.060 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)N(CC)C[C@H]2C)n1CCCn1nc(C)cc1C ZINC001305743753 1069181187 /nfs/dbraw/zinc/18/11/87/1069181187.db2.gz YLXOSLXHHITVDJ-WOJBJXKFSA-N 0 3 458.655 3.019 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC(c3cnn(C)c3)CC2)n1CCN1CCCC(C)(C)C1 ZINC001305750759 1069196903 /nfs/dbraw/zinc/19/69/03/1069196903.db2.gz LTKZNMGBJVEGOW-UHFFFAOYSA-N 0 3 484.693 3.436 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC(C)CC2)n1Cc1ccccc1CN1CCC(O)CC1 ZINC001305750972 1069197444 /nfs/dbraw/zinc/19/74/44/1069197444.db2.gz VWGAKESPMUZEHG-UHFFFAOYSA-N 0 3 482.673 3.438 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC(CN3CCOCC3)CC2)n1Cc1ccc(C)cc1OC ZINC001305755273 1069206965 /nfs/dbraw/zinc/20/69/65/1069206965.db2.gz MTSBUNJCPJMRPT-UHFFFAOYSA-N 0 3 498.672 3.110 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC(O)(c3ccccc3)CC2)n1CCN1CCC[C@H](C)C1 ZINC001305759457 1069221496 /nfs/dbraw/zinc/22/14/96/1069221496.db2.gz RMPIDLQEKKFLNX-NRFANRHFSA-N 0 3 482.673 3.416 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCc3cc(C)ccc32)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001305761238 1069227182 /nfs/dbraw/zinc/22/71/82/1069227182.db2.gz JGPFNAHWOZVIAO-NRFANRHFSA-N 0 3 481.689 3.473 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2ccc(C)o2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305768578 1069242164 /nfs/dbraw/zinc/24/21/64/1069242164.db2.gz CYLOEVNYXQPIOK-OAQYLSRUSA-N 0 3 485.677 3.465 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCCN(Cc3ccccc3)CC2)n1C[C@H]1CC=CCO1 ZINC001305777169 1069261784 /nfs/dbraw/zinc/26/17/84/1069261784.db2.gz UUCBAJGMZIDCQF-HSZRJFAPSA-N 0 3 466.630 3.254 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1C[C@@H]1CCCC1(C)C ZINC001305785012 1069283529 /nfs/dbraw/zinc/28/35/29/1069283529.db2.gz DUJZWCMPTGGNLF-IBGZPJMESA-N 0 3 460.667 3.324 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCCC3)CC2)n1Cc1ccc(Cl)nc1 ZINC001305784981 1069283555 /nfs/dbraw/zinc/28/35/55/1069283555.db2.gz CRMLQJNTSQDFPA-UHFFFAOYSA-N 0 3 460.026 3.358 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1CCc1ccccc1Cl ZINC001305785822 1069288380 /nfs/dbraw/zinc/28/83/80/1069288380.db2.gz QLQZAWIXLKGZLQ-UHFFFAOYSA-N 0 3 489.064 3.394 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCCCC3)CC2)n1CCc1nccs1 ZINC001305786337 1069290216 /nfs/dbraw/zinc/29/02/16/1069290216.db2.gz VCRTYQJRIFDCGA-UHFFFAOYSA-N 0 3 459.664 3.350 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1Cc1ccc(C)s1 ZINC001305786480 1069290789 /nfs/dbraw/zinc/29/07/89/1069290789.db2.gz VSRVOQFVRIBRRR-QGZVFWFLSA-N 0 3 474.675 3.304 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1CCC(=O)N1CCCCC1 ZINC001305786808 1069292068 /nfs/dbraw/zinc/29/20/68/1069292068.db2.gz ARDLKIBQHWAUAA-UHFFFAOYSA-N 0 3 489.709 3.157 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1C/C=C/c1ccccc1 ZINC001305787549 1069293554 /nfs/dbraw/zinc/29/35/54/1069293554.db2.gz KNAHEHOCJUVTIG-YVWYTEFXSA-N 0 3 466.630 3.068 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1Cc1c(C)cc(C)cc1C ZINC001305787851 1069295076 /nfs/dbraw/zinc/29/50/76/1069295076.db2.gz NXQKHUVQNKFPIZ-QFIPXVFZSA-N 0 3 482.673 3.329 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCNC(=O)[C@H]2CC)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC001305790732 1069302432 /nfs/dbraw/zinc/30/24/32/1069302432.db2.gz XBKNTTVWNAELGW-PKTZIBPZSA-N 0 3 495.672 3.057 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCNC(=O)[C@@H]2CC)n1C[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC001305790731 1069302457 /nfs/dbraw/zinc/30/24/57/1069302457.db2.gz XBKNTTVWNAELGW-GOTSBHOMSA-N 0 3 495.672 3.057 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3ccc(F)cc3)C2)n1C[C@@H]1CCCN1CC ZINC001305792092 1069305165 /nfs/dbraw/zinc/30/51/65/1069305165.db2.gz QMKURJYPENQNNZ-VXKWHMMOSA-N 0 3 472.609 3.398 20 0 JGADHN O=C(OCc1ccc(Cl)cc1)c1cnc(Cl)nc1C(F)(F)N1CC[C@H]2NCCO[C@@H]2C1 ZINC001164390048 718823733 /nfs/dbraw/zinc/82/37/33/718823733.db2.gz LHIRYFVJMBFGJL-HZPDHXFCSA-N 0 3 473.307 3.252 20 0 JGADHN COC(=O)[C@H]1CNCCN1C(F)(F)c1cc(-c2cccc(C(F)(F)F)c2)nnc1Cl ZINC001164633755 719138423 /nfs/dbraw/zinc/13/84/23/719138423.db2.gz SOWPRVYHZZPYGY-CQSZACIVSA-N 0 3 450.795 3.312 20 0 JGADHN CNC(=O)CN1CCCC12CCN(c1nc(Cl)c(F)cc1C(=O)NCc1cccs1)CC2 ZINC001164683659 719727580 /nfs/dbraw/zinc/72/75/80/719727580.db2.gz BQCGQZQGFBSRGG-UHFFFAOYSA-N 0 3 480.009 3.046 20 0 JGADHN CCOC(=O)c1sc2nc(CN3CCCCC3)nc(-n3nc(COC)c4c3CNC4)c2c1C ZINC001164709261 720079756 /nfs/dbraw/zinc/07/97/56/720079756.db2.gz CPQSCFXKKTUSGP-UHFFFAOYSA-N 0 3 470.599 3.098 20 0 JGADHN COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ccc(S(=O)(=O)[N-]c3cc(F)ccc3F)cn1)C2 ZINC001164813745 720182109 /nfs/dbraw/zinc/18/21/09/720182109.db2.gz DWOWUVPJFXWXPE-HOYKHHGWSA-N 0 3 492.592 3.345 20 0 JGADHN COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(S(=O)(=O)[N-]c3cc(F)ccc3F)cn1)C2 ZINC001164813745 720182111 /nfs/dbraw/zinc/18/21/11/720182111.db2.gz DWOWUVPJFXWXPE-HOYKHHGWSA-N 0 3 492.592 3.345 20 0 JGADHN COc1cc2c(cc1OCc1ccccc1)ncnc2N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164746243 720643930 /nfs/dbraw/zinc/64/39/30/720643930.db2.gz WJUNUQIXJQJCGM-LEWJYISDSA-N 0 3 484.560 3.349 20 0 JGADHN Cc1sc2nc(CN3CCOCC3)nc(N3CCCn4cnc(CNC5CCC5)c4C3)c2c1C ZINC001164838097 720739897 /nfs/dbraw/zinc/73/98/97/720739897.db2.gz RRYCOQVXHLLGNX-UHFFFAOYSA-N 0 3 481.670 3.389 20 0 JGADHN COc1ccc(-c2csc3ncnc(N4CCN5C[C@H](Oc6cncnc6)C[C@H]5C4)c23)cc1 ZINC001164744805 720759054 /nfs/dbraw/zinc/75/90/54/720759054.db2.gz SSRFTOWOAFIGDU-PKOBYXMFSA-N 0 3 460.563 3.499 20 0 JGADHN O=C(Nc1cccc(Cl)c1)c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164741053 720765952 /nfs/dbraw/zinc/76/59/52/720765952.db2.gz LYNHOGSCMXHTOB-UXHICEINSA-N 0 3 450.930 3.119 20 0 JGADHN COc1cccc(-c2nc3ccccc3c(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)c1 ZINC001164740457 720784258 /nfs/dbraw/zinc/78/42/58/720784258.db2.gz LFZPXYJUZHMDCD-FPOVZHCZSA-N 0 3 454.534 3.437 20 0 JGADHN c1cc(N2CCCCC2)ccc1-c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nn1 ZINC001164748209 720794930 /nfs/dbraw/zinc/79/49/30/720794930.db2.gz QBSDHMXZJZEDJE-GOTSBHOMSA-N 0 3 457.582 3.266 20 0 JGADHN Cc1sc2nc(CN3CCCC3)nc(-n3nc(C(=O)N4CCC[C@H]4C)c4c3CCNC4)c2c1C ZINC001164849989 720806303 /nfs/dbraw/zinc/80/63/03/720806303.db2.gz HQHTZLSORDOAJE-OAHLLOKOSA-N 0 3 479.654 3.360 20 0 JGADHN CC(C)N(C)Cc1cnc2n1CCN(c1ncnc3c1ccn3S(=O)(=O)c1ccccc1)[C@@H]2C ZINC001164857624 720946983 /nfs/dbraw/zinc/94/69/83/720946983.db2.gz GSAZHLLBPXJQOQ-GOSISDBHSA-N 0 3 479.610 3.286 20 0 JGADHN CC(C)N(C)Cc1cnc2n1CCN(c1cc(N3CCN(c4ccccc4)CC3)ncn1)[C@@H]2C ZINC001164862299 721012493 /nfs/dbraw/zinc/01/24/93/721012493.db2.gz PWMMHQXCDVUDIV-OAQYLSRUSA-N 0 3 460.630 3.421 20 0 JGADHN Clc1nc2c(ncn2Cc2ccccc2)c(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164866530 721068059 /nfs/dbraw/zinc/06/80/59/721068059.db2.gz FCMLZWKKADJRIH-LEWJYISDSA-N 0 3 475.984 3.403 20 0 JGADHN Clc1nc2c(ncn2[C@H]2CCCCO2)c(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164864547 721085915 /nfs/dbraw/zinc/08/59/15/721085915.db2.gz GFGAWRQMTCISEB-IPMKNSEASA-N 0 3 469.977 3.054 20 0 JGADHN Clc1nc2c(ncn2[C@H]2CCCCO2)c(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164864545 721086578 /nfs/dbraw/zinc/08/65/78/721086578.db2.gz GFGAWRQMTCISEB-GUDVDZBRSA-N 0 3 469.977 3.054 20 0 JGADHN Clc1nc2c(ncn2[C@@H]2CCCCO2)c(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164864552 721086686 /nfs/dbraw/zinc/08/66/86/721086686.db2.gz GFGAWRQMTCISEB-QRVBRYPASA-N 0 3 469.977 3.054 20 0 JGADHN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)nc5c(Cl)nc(Cl)nc54)C[C@@H]3C2)cn1 ZINC001164773769 721097057 /nfs/dbraw/zinc/09/70/57/721097057.db2.gz YEYQINMXYQXRBN-RYUDHWBXSA-N 0 3 453.765 3.072 20 0 JGADHN O=C(c1cccnc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1)N1CCc2ccccc21 ZINC001164872224 721140240 /nfs/dbraw/zinc/14/02/40/721140240.db2.gz GZLHBPBNPNXCJC-DHIUTWEWSA-N 0 3 455.562 3.159 20 0 JGADHN COC[C@@H]1CC2(CN1C(=O)c1cccn1C)CCN(c1ccc(CN3CCCC3)cn1)CC2 ZINC001164871718 721224598 /nfs/dbraw/zinc/22/45/98/721224598.db2.gz KUGFEVXPSFLVFF-QFIPXVFZSA-N 0 3 451.615 3.164 20 0 JGADHN COC[C@@H]1CC2(CN1C(=O)c1cccn1C)CCN(c1ncccc1CN1CCCC1)CC2 ZINC001164876203 721225429 /nfs/dbraw/zinc/22/54/29/721225429.db2.gz ZVUXPJDZAUTZSW-QFIPXVFZSA-N 0 3 451.615 3.164 20 0 JGADHN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ncnc5c4ccn5Cc4cccc(F)c4)C3)O2)CC1 ZINC001164885279 721416687 /nfs/dbraw/zinc/41/66/87/721416687.db2.gz GNASEHRVPZXMFT-YIXXDRMTSA-N 0 3 478.616 3.384 20 0 JGADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ncnc5c4ncn5Cc4ccccc4F)CCN3C2)c1 ZINC001164903072 721541319 /nfs/dbraw/zinc/54/13/19/721541319.db2.gz BZTAQFABVHXUOR-TZIWHRDSSA-N 0 3 462.504 3.495 20 0 JGADHN O=S(=O)(c1ccccc1)n1ccc2cnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nc21 ZINC001164911556 721551311 /nfs/dbraw/zinc/55/13/11/721551311.db2.gz XJPOSWYGVKNYJH-IFMALSPDSA-N 0 3 493.564 3.149 20 0 JGADHN CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164904185 721555965 /nfs/dbraw/zinc/55/59/65/721555965.db2.gz DGHCATDFOXCCCD-DSKINZAPSA-N 0 3 462.591 3.030 20 0 JGADHN COc1cccc(CN2C[C@H]3CCN(c4ccc(CN(C)C5CC5)cn4)CC[C@H]3S2(=O)=O)c1 ZINC001164801492 721592873 /nfs/dbraw/zinc/59/28/73/721592873.db2.gz FBKWATBWRVHJHI-ZJSXRUAMSA-N 0 3 470.639 3.115 20 0 JGADHN c1ccc2c(c1)cc(N1CCCC1)nc2N1CCO[C@]2(C1)COCCN(Cc1cccnc1)C2 ZINC001164914372 721796020 /nfs/dbraw/zinc/79/60/20/721796020.db2.gz MPCXVBPGQSTOBH-HHHXNRCGSA-N 0 3 459.594 3.338 20 0 JGADHN COC(=O)c1cc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cnc1Cl ZINC001164972609 722109247 /nfs/dbraw/zinc/10/92/47/722109247.db2.gz GDBHROVLSOBUPF-VQIMIIECSA-N 0 3 466.916 3.189 20 0 JGADHN CC(C)(C)NC(=O)c1cc(Cl)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164971891 722124912 /nfs/dbraw/zinc/12/49/12/722124912.db2.gz DCDPEDQXYPPSCR-ICSRJNTNSA-N 0 3 458.006 3.386 20 0 JGADHN COC(=O)c1cc(Cl)nc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164983667 722125033 /nfs/dbraw/zinc/12/50/33/722125033.db2.gz YXLPLNORPHHPEQ-WMZOPIPTSA-N 0 3 466.916 3.189 20 0 JGADHN CC(C)(C)NC(=O)c1cc(Cl)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164971890 722125355 /nfs/dbraw/zinc/12/53/55/722125355.db2.gz DCDPEDQXYPPSCR-AZUAARDMSA-N 0 3 458.006 3.386 20 0 JGADHN CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164974397 722132337 /nfs/dbraw/zinc/13/23/37/722132337.db2.gz DQJRLEVLJUHMLU-RDGATRHJSA-N 0 3 474.609 3.138 20 0 JGADHN COC(=O)c1cc2c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)[nH]c(Cl)cc-2n1 ZINC001164980305 722132845 /nfs/dbraw/zinc/13/28/45/722132845.db2.gz MQSAXXMBHMPXHG-OXJNMPFZSA-N 0 3 455.946 3.125 20 0 JGADHN FC(F)(c1cnc2c(Cl)ncnc2c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164984217 722135908 /nfs/dbraw/zinc/13/59/08/722135908.db2.gz WMFYOQBAWSHPRY-QFBILLFUSA-N 0 3 460.916 3.345 20 0 JGADHN O=C(c1cccnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1)N1CCc2ccccc21 ZINC001164978077 722139936 /nfs/dbraw/zinc/13/99/36/722139936.db2.gz JOVVSQOXFCFODX-JYFHCDHNSA-N 0 3 469.589 3.407 20 0 JGADHN O=C(c1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1)N1CCCCC1 ZINC001164975102 722143777 /nfs/dbraw/zinc/14/37/77/722143777.db2.gz DVQHDCKLTIEBQS-NFBKMPQASA-N 0 3 470.017 3.483 20 0 JGADHN COC(=O)c1nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c2ccccc2c1OC ZINC001164976008 722148972 /nfs/dbraw/zinc/14/89/72/722148972.db2.gz GFSMCYXVHUAWQX-SIKLNZKXSA-N 0 3 462.550 3.152 20 0 JGADHN Cc1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001164981587 722151107 /nfs/dbraw/zinc/15/11/07/722151107.db2.gz PJSQPKDUDRQXRV-GOTSBHOMSA-N 0 3 458.566 3.160 20 0 JGADHN O=C(Nc1cccnc1Cl)OCC(F)(F)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972458 722153903 /nfs/dbraw/zinc/15/39/03/722153903.db2.gz HVPGDTJXFDXWOA-PKOBYXMFSA-N 0 3 481.931 3.494 20 0 JGADHN FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164971288 722158906 /nfs/dbraw/zinc/15/89/06/722158906.db2.gz BOXVVNDBWRHWCU-HOTGVXAUSA-N 0 3 480.972 3.493 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3ccccc3)C2)n1C[C@H]1CCCN1CC ZINC001305794460 1069312256 /nfs/dbraw/zinc/31/22/56/1069312256.db2.gz KMEXHQLQBKHISQ-YADHBBJMSA-N 0 3 454.619 3.259 20 0 JGADHN CC[C@H](Cn1c(-c2cccc(Br)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)N1CCCC1 ZINC001305806668 1069335225 /nfs/dbraw/zinc/33/52/25/1069335225.db2.gz GXTDMFAQKZTYDD-MOPGFXCFSA-N 0 3 496.475 3.205 20 0 JGADHN CC[C@H](Cn1c([C@@H](C)OCCOC)nnc1N1CCCO[C@@H](C)C1)N1CCc2ccccc2C1 ZINC001305810672 1069340719 /nfs/dbraw/zinc/34/07/19/1069340719.db2.gz PWQPNMXMRUZTOT-YZUZCNPQSA-N 0 3 471.646 3.454 20 0 JGADHN CC[C@H](Cn1c([C@H](C)OCCOC)nnc1N1CCCO[C@@H](C)C1)N1CCc2ccccc2C1 ZINC001305810668 1069340802 /nfs/dbraw/zinc/34/08/02/1069340802.db2.gz PWQPNMXMRUZTOT-AWRGLXIESA-N 0 3 471.646 3.454 20 0 JGADHN CC[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@](C)(OC)C1)N1CCCC1 ZINC001305814051 1069345177 /nfs/dbraw/zinc/34/51/77/1069345177.db2.gz GJQWNLXQLFUTRJ-RDPSFJRHSA-N 0 3 475.659 3.228 20 0 JGADHN CC[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC)C[C@H]1CCCO1)N1CCCC1 ZINC001305816470 1069350241 /nfs/dbraw/zinc/35/02/41/1069350241.db2.gz SSSRMGCXDPHDAX-LEWJYISDSA-N 0 3 475.659 3.228 20 0 JGADHN CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC001305831896 1069372910 /nfs/dbraw/zinc/37/29/10/1069372910.db2.gz GMSPQKOGJUAOSA-INDMIFKZSA-N 0 3 450.628 3.004 20 0 JGADHN CC[C@H](Cn1c(CC(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1)c1ccccc1 ZINC001305839471 1069385523 /nfs/dbraw/zinc/38/55/23/1069385523.db2.gz XQLXYPRWAOYGFP-JOCHJYFZSA-N 0 3 452.647 3.415 20 0 JGADHN CC[C@@H](Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CCCC2)CC1)OC ZINC001305838988 1069384203 /nfs/dbraw/zinc/38/42/03/1069384203.db2.gz SSXGGYQZXYAMFN-SFTDATJTSA-N 0 3 492.665 3.076 20 0 JGADHN CC[C@H](Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC2CC2)CC1)NC(=O)OC(C)(C)C ZINC001305842157 1069391027 /nfs/dbraw/zinc/39/10/27/1069391027.db2.gz HDLGBQNZWRXHHR-LJQANCHMSA-N 0 3 489.690 3.469 20 0 JGADHN CC[C@H](Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC001305842293 1069391661 /nfs/dbraw/zinc/39/16/61/1069391661.db2.gz OSLCCVXSLYCXGU-IRFCIJBXSA-N 0 3 471.650 3.486 20 0 JGADHN CCC(O)(CC)Cn1c(N2CCN(CCN(C)Cc3ccccc3)CC2)nnc1C(C)(C)C ZINC001305856891 1069411003 /nfs/dbraw/zinc/41/10/03/1069411003.db2.gz HEHDQZWDLXDHFT-UHFFFAOYSA-N 0 3 456.679 3.381 20 0 JGADHN CC[C@@]1(C)CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN2CCN(C)C(C)(C)C2)CCO1 ZINC001305880484 1069433256 /nfs/dbraw/zinc/43/32/56/1069433256.db2.gz FZGPIHKDFUBFEL-MHZLTWQESA-N 0 3 497.688 3.179 20 0 JGADHN CC[C@]1(C)CN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CCO1 ZINC001305887176 1069443652 /nfs/dbraw/zinc/44/36/52/1069443652.db2.gz KNJRNZGZVXXQRG-UWDQQESISA-N 0 3 457.619 3.489 20 0 JGADHN CCc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H](c3nc(C)no3)C2)N(C)C)cc1 ZINC001305914302 1069469230 /nfs/dbraw/zinc/46/92/30/1069469230.db2.gz BBIJEMURFDKJBG-FGZHOGPDSA-N 0 3 494.644 3.357 20 0 JGADHN CCc1ccc([C@@H](Cn2c(Cc3ccccn3)nnc2N2CCC[C@H](NC(C)=O)C2)N(C)C)cc1 ZINC001305917715 1069472009 /nfs/dbraw/zinc/47/20/09/1069472009.db2.gz IDSWIMPYQDKIRX-LOSJGSFVSA-N 0 3 475.641 3.234 20 0 JGADHN CCc1ccc([C@H](Cn2c([C@@H](C)CC)nnc2N2CCC[C@H](n3cnc(C(N)=O)n3)C2)N(C)C)cc1 ZINC001305918522 1069473701 /nfs/dbraw/zinc/47/37/01/1069473701.db2.gz SKVYQFJSYRDOPB-NYVOZVTQSA-N 0 3 493.660 3.189 20 0 JGADHN CCc1ccc([C@@H](Cn2c(CC3CC3)nnc2N2CCN(C(=O)OC)[C@@H](C)C2)N(C)C)cc1 ZINC001305919665 1069474801 /nfs/dbraw/zinc/47/48/01/1069474801.db2.gz POUMFLJCDKEJJQ-PGRDOPGGSA-N 0 3 454.619 3.373 20 0 JGADHN CCc1ccc(-c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2CC2(N3CCCC3)CCOCC2)cc1 ZINC001305920730 1069476252 /nfs/dbraw/zinc/47/62/52/1069476252.db2.gz ORXWSQJAZKGRKP-FQEVSTJZSA-N 0 3 489.686 3.022 20 0 JGADHN CCc1ccc([C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CCC2CCOCC2)N(C)C)cc1 ZINC001305920634 1069476388 /nfs/dbraw/zinc/47/63/88/1069476388.db2.gz TVWQZACDHTYPQX-PKTZIBPZSA-N 0 3 468.646 3.347 20 0 JGADHN CCc1ccc([C@@H](Cn2c(CC3CCCC3)nnc2N2CCN(C(=O)COC)CC2)N(C)C)cc1 ZINC001305921119 1069476803 /nfs/dbraw/zinc/47/68/03/1069476803.db2.gz WOPYKQGTVYPWCH-XMMPIXPASA-N 0 3 482.673 3.171 20 0 JGADHN CCc1ccc([C@H](Cn2c(Cc3ccsc3)nnc2N2CCN(C)C(=O)[C@@H]2C)N(C)C)cc1 ZINC001305921360 1069476825 /nfs/dbraw/zinc/47/68/25/1069476825.db2.gz XPMGADBPJYPYNU-AVRDEDQJSA-N 0 3 466.655 3.463 20 0 JGADHN CCc1ccc([C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2nccs2)N(C)C)cc1 ZINC001305921446 1069477449 /nfs/dbraw/zinc/47/74/49/1069477449.db2.gz ZGJFBOSXGWNVKW-MOPGFXCFSA-N 0 3 453.616 3.187 20 0 JGADHN CN(C)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cc(F)c(F)c(F)c2)CCCCC1 ZINC001298268887 1064161168 /nfs/dbraw/zinc/16/11/68/1064161168.db2.gz DJFZBPIKDSJEDN-QGZVFWFLSA-N 0 3 499.603 3.498 20 0 JGADHN CN(Cc1cccc(Cl)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCC1 ZINC001298338313 1064208221 /nfs/dbraw/zinc/20/82/21/1064208221.db2.gz UFIZINQFFMRWRX-GOSISDBHSA-N 0 3 466.051 3.344 20 0 JGADHN CN1C[C@H]2CCN(C(=O)c3ccccc3OCC(=O)Nc3ccc(Br)cc3)[C@H]2C1 ZINC001298377115 1064225430 /nfs/dbraw/zinc/22/54/30/1064225430.db2.gz KBUABYYYVIUPIS-BEFAXECRSA-N 0 3 458.356 3.243 20 0 JGADHN NC(=O)c1ccccc1NCC(=O)N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001298397471 1064232584 /nfs/dbraw/zinc/23/25/84/1064232584.db2.gz YDYSEESSFDYBDD-HSZRJFAPSA-N 0 3 457.578 3.286 20 0 JGADHN CSc1ccc([C@@H](CNC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)N(C)C)cc1 ZINC001298403562 1064237245 /nfs/dbraw/zinc/23/72/45/1064237245.db2.gz IOPMAJUCGPVDQS-GOSISDBHSA-N 0 3 456.033 3.345 20 0 JGADHN CN(C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ncc(Cl)n1C)c1ccc(F)cc1 ZINC001298450096 1064257478 /nfs/dbraw/zinc/25/74/78/1064257478.db2.gz DBKMNNBFIZSION-GOSISDBHSA-N 0 3 471.972 3.144 20 0 JGADHN CN(Cc1nccs1)c1nnc(CCc2ccccc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001298460510 1064261343 /nfs/dbraw/zinc/26/13/43/1064261343.db2.gz IJXSAIYNCNKIOB-UHFFFAOYSA-N 0 3 453.660 3.182 20 0 JGADHN CN(CC1CC(F)C1)c1nnc(COc2ccccc2F)n1CCN1CCN(C)C(C)(C)C1 ZINC001298488674 1064277176 /nfs/dbraw/zinc/27/71/76/1064277176.db2.gz CNSCRUHKQUIUCY-UHFFFAOYSA-N 0 3 462.589 3.207 20 0 JGADHN CN(CCC(F)F)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCc2ccccc2C1 ZINC001298601494 1064376071 /nfs/dbraw/zinc/37/60/71/1064376071.db2.gz IXBMXMOSUJRWRG-UHFFFAOYSA-N 0 3 469.540 3.465 20 0 JGADHN CN(C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCc1cccs1)c1ccc(F)cc1 ZINC001298623718 1064396081 /nfs/dbraw/zinc/39/60/81/1064396081.db2.gz HBEPPVODSXNGBD-PMACEKPBSA-N 0 3 456.591 3.412 20 0 JGADHN CN(CCc1cnccn1)c1nnc(C(C)(C)C)n1CCCN1CCN(c2ccccc2)CC1 ZINC001298627454 1064400911 /nfs/dbraw/zinc/40/09/11/1064400911.db2.gz XYEFTFXHOOJFHX-UHFFFAOYSA-N 0 3 462.646 3.257 20 0 JGADHN C[C@H]1CN(C(=O)c2cnn(-c3ccccc3)c2I)CCN(C2CC2)C1 ZINC001298642088 1064416447 /nfs/dbraw/zinc/41/64/47/1064416447.db2.gz WAYHDHQLTFNMOY-CQSZACIVSA-N 0 3 450.324 3.033 20 0 JGADHN CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(Cl)c2)n1CC1(N2CCCC2)CCOCC1 ZINC001298691908 1064490991 /nfs/dbraw/zinc/49/09/91/1064490991.db2.gz XEIIECXSOCBCTH-UHFFFAOYSA-N 0 3 496.077 3.114 20 0 JGADHN CN(C)C(=O)CC1CCN(c2nnc(-c3ccc[nH]3)n2CCN(C)Cc2ccc(F)cc2)CC1 ZINC001298703875 1064505073 /nfs/dbraw/zinc/50/50/73/1064505073.db2.gz BRFFPTQYQKUYAU-UHFFFAOYSA-N 0 3 467.593 3.239 20 0 JGADHN CN(CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)Cc1ccc(F)cc1 ZINC001298703961 1064506088 /nfs/dbraw/zinc/50/60/88/1064506088.db2.gz GBUFDOJHFRRPQV-UHFFFAOYSA-N 0 3 494.619 3.241 20 0 JGADHN CN(CCn1c(-c2ccccc2Cl)nnc1N(CCS(C)(=O)=O)C1CC1)C1CCCC1 ZINC001298705506 1064510193 /nfs/dbraw/zinc/51/01/93/1064510193.db2.gz WQXJTVAGJGLTSY-UHFFFAOYSA-N 0 3 466.051 3.486 20 0 JGADHN CN(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@](C)(C(C)(C)C)C1)Cc1ccc(F)cc1 ZINC001298705631 1064510693 /nfs/dbraw/zinc/51/06/93/1064510693.db2.gz IKFRJYDTQBGZRG-CPJSRVTESA-N 0 3 472.609 3.142 20 0 JGADHN CN(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(F)(F)F)C1)Cc1ccccc1 ZINC001298706207 1064511532 /nfs/dbraw/zinc/51/15/32/1064511532.db2.gz QHYHLBSEPAUSMA-ROUUACIJSA-N 0 3 450.509 3.140 20 0 JGADHN CN(CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)C1CCCC1 ZINC001298711599 1064516917 /nfs/dbraw/zinc/51/69/17/1064516917.db2.gz ABRWCCNVJNYDSB-HXUWFJFHSA-N 0 3 466.051 3.020 20 0 JGADHN CN(CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)Cc1ccc(F)cc1 ZINC001298712332 1064519623 /nfs/dbraw/zinc/51/96/23/1064519623.db2.gz BAZZMKBAMVYKCU-IFMALSPDSA-N 0 3 486.636 3.184 20 0 JGADHN CN(CCn1c(CN2CCCC2=O)nnc1N1CCC(C(F)(F)F)CC1)Cc1ccccc1 ZINC001298717748 1064528142 /nfs/dbraw/zinc/52/81/42/1064528142.db2.gz QXVNGQZKOYVVNO-UHFFFAOYSA-N 0 3 464.536 3.311 20 0 JGADHN CN(CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](C(N)=O)C1)Cc1ccc(F)cc1 ZINC001298719977 1064530773 /nfs/dbraw/zinc/53/07/73/1064530773.db2.gz KUIYVQQVQXXMSM-KSEOMHKRSA-N 0 3 486.636 3.170 20 0 JGADHN CN(CCn1c([C@H]2CCCO2)nnc1N(C)CC1COC(C)(C)OC1)Cc1ccc(F)cc1 ZINC001298720208 1064531015 /nfs/dbraw/zinc/53/10/15/1064531015.db2.gz MVJXOHNZFQLNLA-OAQYLSRUSA-N 0 3 461.582 3.236 20 0 JGADHN CN(CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2NC(=O)CC2(C)C)CC1)Cc1ccccc1 ZINC001298728084 1064539492 /nfs/dbraw/zinc/53/94/92/1064539492.db2.gz MHQJUGHZXHZUSD-HSZRJFAPSA-N 0 3 495.716 3.035 20 0 JGADHN CN(CCN1CCOCC1)c1nnc(-c2ccc(Cl)cc2Cl)n1CCN1CC=CCC1 ZINC001298736104 1064550503 /nfs/dbraw/zinc/55/05/03/1064550503.db2.gz AMVFKWQXSAEOLB-UHFFFAOYSA-N 0 3 465.429 3.282 20 0 JGADHN O=C(N[C@@H](CO)CN1CCCC1)c1cccnc1SCc1ccc(Br)cc1 ZINC001298752225 1064562330 /nfs/dbraw/zinc/56/23/30/1064562330.db2.gz TXQORBVGIURTRE-QGZVFWFLSA-N 0 3 450.402 3.323 20 0 JGADHN COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)c(OC)c1 ZINC001298885494 1064692259 /nfs/dbraw/zinc/69/22/59/1064692259.db2.gz GBUMZBLAMDYELQ-SXSPYAJSSA-N 0 3 451.567 3.088 20 0 JGADHN Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCN(Cc4ccccc4)[C@@H]3C)CC2)cc1 ZINC001298887779 1064697393 /nfs/dbraw/zinc/69/73/93/1064697393.db2.gz NEDSQQNDJWSIPX-YKSBVNFPSA-N 0 3 455.624 3.175 20 0 JGADHN C[C@H]1[C@@H](NC(=O)COc2ccc(I)cc2)CCN1Cc1ccccc1 ZINC001298890774 1064701034 /nfs/dbraw/zinc/70/10/34/1064701034.db2.gz YNKCOBSNGXSURN-KXBFYZLASA-N 0 3 450.320 3.449 20 0 JGADHN Cn1nc(C(F)(F)F)c(Cl)c1Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001298903095 1064707797 /nfs/dbraw/zinc/70/77/97/1064707797.db2.gz KWXHDZJRZQWFCW-CYBMUJFWSA-N 0 3 475.947 3.157 20 0 JGADHN CNC(=O)C(C)(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN(CC2CC2)CC1 ZINC001298920330 1064720933 /nfs/dbraw/zinc/72/09/33/1064720933.db2.gz ACPRYBBCPUEUJT-UHFFFAOYSA-N 0 3 493.425 3.151 20 0 JGADHN CNC(=O)C(C)(C)Cn1c(N2CCN(CC(C)C)CC2)nnc1C1(c2ccccc2)CCC1 ZINC001298951341 1064742520 /nfs/dbraw/zinc/74/25/20/1064742520.db2.gz QCQDKRVMGAQECP-UHFFFAOYSA-N 0 3 452.647 3.298 20 0 JGADHN CCN1CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)N[C@@H]3CCCC[C@H]3C)c2)[C@H](C)C1 ZINC001299010449 1064794099 /nfs/dbraw/zinc/79/40/99/1064794099.db2.gz UQBYKSSFGXKHJY-QWFCFKBJSA-N 0 3 451.633 3.109 20 0 JGADHN CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](c2cccs2)N(C)C)C1 ZINC001299016183 1064799927 /nfs/dbraw/zinc/79/99/27/1064799927.db2.gz UXMOMIURQYUDRU-CJAUYULYSA-N 0 3 498.653 3.289 20 0 JGADHN CNC(=O)c1ccc(CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H](c2ccsc2)N(C)C)cc1 ZINC001299041852 1064833605 /nfs/dbraw/zinc/83/36/05/1064833605.db2.gz XQQVRHFJWZVXLV-NRFANRHFSA-N 0 3 478.626 3.039 20 0 JGADHN CNC(=O)c1cccc(CCn2c(CC3CC3)nnc2N2CCN(CCC(C)(C)C)CC2)c1 ZINC001299053965 1064846982 /nfs/dbraw/zinc/84/69/82/1064846982.db2.gz ZDNVTLOSPAFRRA-UHFFFAOYSA-N 0 3 452.647 3.391 20 0 JGADHN CNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](c2ccsc2)N(C)C)CC1 ZINC001299109395 1064917458 /nfs/dbraw/zinc/91/74/58/1064917458.db2.gz LGERXPDKNJXTFR-OAQYLSRUSA-N 0 3 498.653 3.289 20 0 JGADHN COC1(Cn2c(C(C)C)nnc2N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)CCCCC1 ZINC001299794029 1064990657 /nfs/dbraw/zinc/99/06/57/1064990657.db2.gz AKLFJBFZIXPKJG-RBBKRZOGSA-N 0 3 460.667 3.130 20 0 JGADHN COC1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCN(CC(C)C)CC2)CCCCC1 ZINC001299794617 1064990688 /nfs/dbraw/zinc/99/06/88/1064990688.db2.gz GWNCWLHMOHOIJQ-UHFFFAOYSA-N 0 3 455.607 3.053 20 0 JGADHN Cc1c(Cl)c(C(=O)N[C@H]2c3ccccc3CC[C@H]2N2CCCC2)sc1S(N)(=O)=O ZINC001299811595 1065006959 /nfs/dbraw/zinc/00/69/59/1065006959.db2.gz RXSMUAKNJMBKBL-WBVHZDCISA-N 0 3 454.017 3.239 20 0 JGADHN Cc1c(Cl)c(C(=O)N[C@@H]2c3ccccc3CC[C@H]2N2CCCC2)sc1S(N)(=O)=O ZINC001299811593 1065007170 /nfs/dbraw/zinc/00/71/70/1065007170.db2.gz RXSMUAKNJMBKBL-NVXWUHKLSA-N 0 3 454.017 3.239 20 0 JGADHN COc1cc(C)cc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(CCC(C)(C)C)CC2)c1 ZINC001299826755 1065019516 /nfs/dbraw/zinc/01/95/16/1065019516.db2.gz AFDDUFJEFYRXCZ-UHFFFAOYSA-N 0 3 456.635 3.340 20 0 JGADHN COc1ccccc1Nc1nc2sc(C(=O)N3CN(CCN(C)C)C(=O)[C@@H]3C)cc2s1 ZINC001299830000 1065022458 /nfs/dbraw/zinc/02/24/58/1065022458.db2.gz MCDIHMXQEGEBKA-ZDUSSCGKSA-N 0 3 459.597 3.302 20 0 JGADHN COc1cc(C)nc(N2CCN(c3nnc(C(C)C)n3C[C@H](c3ccccc3)N(C)C)CC2)n1 ZINC001299835276 1065026875 /nfs/dbraw/zinc/02/68/75/1065026875.db2.gz XJCXRHOULHOUNX-OAQYLSRUSA-N 0 3 464.618 3.138 20 0 JGADHN CN(C)CCn1c2cc(C(=O)Nc3ccc(C(=O)NCc4ccccc4)cc3)ccc2[nH]c1=O ZINC001299847394 1065048571 /nfs/dbraw/zinc/04/85/71/1065048571.db2.gz ZHMXESWCBRNATE-UHFFFAOYSA-N 0 3 457.534 3.486 20 0 JGADHN COc1cc(-c2nnc(N3CCS(=O)CC3)n2C[C@@H]2N(C)CCCC2(C)C)ccc1OC(C)C ZINC001299859386 1065072262 /nfs/dbraw/zinc/07/22/62/1065072262.db2.gz BETYVKPSUBFZJC-QFIPXVFZSA-N 0 3 489.686 3.430 20 0 JGADHN COc1cc(CN(C)c2nnc([C@@H]3CCCCO3)n2CCN2CCN(C)C(C)(C)C2)cc(OC)c1 ZINC001299872204 1065091230 /nfs/dbraw/zinc/09/12/30/1065091230.db2.gz DYSGGEFVFGHEQC-QHCPKHFHSA-N 0 3 486.661 3.199 20 0 JGADHN COc1cc(Cn2c(CC(C)C)nnc2N2CCC(CN3CCOCC3)CC2)cc(OC)c1OC ZINC001299886520 1065110414 /nfs/dbraw/zinc/11/04/14/1065110414.db2.gz SMNNUDRWUVVBDZ-UHFFFAOYSA-N 0 3 487.645 3.099 20 0 JGADHN COc1cc(Cl)ccc1-c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@]1(C)CN(C)C1=O ZINC001299908019 1065151217 /nfs/dbraw/zinc/15/12/17/1065151217.db2.gz ORLCWZWJOFWINI-HSZRJFAPSA-N 0 3 461.010 3.006 20 0 JGADHN COc1cc(N(C)c2nnc(C(C)(C)C)n2CCN2CCN(C)C(C)(C)C2)cc(OC)c1OC ZINC001299920830 1065172913 /nfs/dbraw/zinc/17/29/13/1065172913.db2.gz UONLOZXGBICQBJ-UHFFFAOYSA-N 0 3 474.650 3.395 20 0 JGADHN COc1cc(OC)cc(-c2nnc(N(C)CCC3CCOCC3)n2CCN2CC=CCC2)c1 ZINC001299932850 1065198476 /nfs/dbraw/zinc/19/84/76/1065198476.db2.gz YDVANPDWWLYMGA-UHFFFAOYSA-N 0 3 455.603 3.477 20 0 JGADHN COc1cc(OC)cc(-c2nnc(N3CC[C@@H](NC(=O)OC(C)(C)C)C3)n2CCN2CC=CCC2)c1 ZINC001299942462 1065211869 /nfs/dbraw/zinc/21/18/69/1065211869.db2.gz PSUSHFLIUCZADO-HXUWFJFHSA-N 0 3 498.628 3.328 20 0 JGADHN COc1cc(OC)cc(-c2nnc(N3CCN(C4CCCC4)CC3)n2C[C@](C)(O)C(C)C)c1 ZINC001299949309 1065223089 /nfs/dbraw/zinc/22/30/89/1065223089.db2.gz BELMCYVJNKKIBN-VWLOTQADSA-N 0 3 457.619 3.434 20 0 JGADHN COc1ccc([C@H](C)N(C)c2nnc(Cn3nc(C)cc3C)n2CCN2CCN(C)C(C)(C)C2)cc1 ZINC001299986964 1065289040 /nfs/dbraw/zinc/28/90/40/1065289040.db2.gz NGPQINAOJVHOPW-QFIPXVFZSA-N 0 3 494.688 3.372 20 0 JGADHN COc1ccc(-c2nnc(N(C)CC(=O)NC(C)C)n2C[C@H](c2ccsc2)N(C)C)cc1 ZINC001299996800 1065306234 /nfs/dbraw/zinc/30/62/34/1065306234.db2.gz PEYADBBQBDSYFR-HXUWFJFHSA-N 0 3 456.616 3.279 20 0 JGADHN Cc1ccc(N2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](C)N3CCC(C)CC3)CC2)cc1 ZINC001492228410 1065330591 /nfs/dbraw/zinc/33/05/91/1065330591.db2.gz UJZNTPMFEDNVTD-QFIPXVFZSA-N 0 3 467.662 3.172 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N(C)Cc3cnn(C)c3)n2CCN2CCC[C@@H](C)C2)cc1C ZINC001492238487 1065332890 /nfs/dbraw/zinc/33/28/90/1065332890.db2.gz RCOFNRKXHOFZNV-GOSISDBHSA-N 0 3 464.618 3.249 20 0 JGADHN Cc1ccc(N2CCN(c3nnc(CC(C)(C)C)n3CCCN3CCC[C@H]3C(=O)N(C)C)CC2)cc1 ZINC001492233058 1065333614 /nfs/dbraw/zinc/33/36/14/1065333614.db2.gz UULWPYDHBXQPJF-DEOSSOPVSA-N 0 3 495.716 3.444 20 0 JGADHN Cc1nn(C)c(C)c1CN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCCC1 ZINC001492235333 1065335645 /nfs/dbraw/zinc/33/56/45/1065335645.db2.gz NIIYOMYKZBPRGN-UHFFFAOYSA-N 0 3 464.618 3.230 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N(C)CC3CCOCC3)n2C[C@]2(N(C)C)CCSC2)cc1C ZINC001492240484 1065338769 /nfs/dbraw/zinc/33/87/69/1065338769.db2.gz NHIVVDHYFQNXSS-RUZDIDTESA-N 0 3 486.686 3.447 20 0 JGADHN Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@H](C2CCCCC2)N(C)C)cc1 ZINC001492363659 1065425031 /nfs/dbraw/zinc/42/50/31/1065425031.db2.gz LMMJJYMWUCOQSE-DHIUTWEWSA-N 0 3 489.686 3.299 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCC[C@@H](CN4CCCC[C@@H]4C)C3)n2CCS(C)(=O)=O)cc1 ZINC001492372418 1065438084 /nfs/dbraw/zinc/43/80/84/1065438084.db2.gz ZQZHCDZIGSIXPT-VXKWHMMOSA-N 0 3 489.686 3.301 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(C(C)C)CC3)n2C[C@H](C(C)C)N2CCOCC2)cc1 ZINC001492383275 1065447017 /nfs/dbraw/zinc/44/70/17/1065447017.db2.gz QGGDHKDHHVREBG-XMMPIXPASA-N 0 3 470.662 3.053 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(CCC(C)(C)C)CC3)n2C[C@@]2(O)CCOC2)cc1C ZINC001492390865 1065456436 /nfs/dbraw/zinc/45/64/36/1065456436.db2.gz DPMXAOSJUHGYQZ-SANMLTNESA-N 0 3 471.646 3.184 20 0 JGADHN Cc1ccc(SCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CCCC3)CC2)cc1 ZINC001492469714 1065519121 /nfs/dbraw/zinc/51/91/21/1065519121.db2.gz SFBJSUQBTJKDPS-LJQANCHMSA-N 0 3 492.715 3.054 20 0 JGADHN Cc1cccc(C(=O)NCCn2c(N(C)C3CCN(CCn4cccn4)CC3)nnc2C(C)(C)C)c1 ZINC001492477971 1065523766 /nfs/dbraw/zinc/52/37/66/1065523766.db2.gz BJWIRPPWSZDVFN-UHFFFAOYSA-N 0 3 492.672 3.111 20 0 JGADHN CO[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2cccc(F)c2)N(C)C)CC[C@@H]1C ZINC001300846022 1065589221 /nfs/dbraw/zinc/58/92/21/1065589221.db2.gz ZLBSCXAHJZCSQT-JJEOQYAHSA-N 0 3 469.609 3.443 20 0 JGADHN COCC(=O)NC1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2CCN2CC=CCC2)CC1 ZINC001300904923 1065704813 /nfs/dbraw/zinc/70/48/13/1065704813.db2.gz XLRGMTSTTDKWDB-UHFFFAOYSA-N 0 3 493.439 3.245 20 0 JGADHN COCC(C)(C)CCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001300915157 1065715160 /nfs/dbraw/zinc/71/51/60/1065715160.db2.gz SDUUNOFUGXNISZ-QHCPKHFHSA-N 0 3 498.672 3.149 20 0 JGADHN COCC(C)(C)CCCn1c(C2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001300920386 1065719661 /nfs/dbraw/zinc/71/96/61/1065719661.db2.gz NQPPPRJPYDRADJ-NRFANRHFSA-N 0 3 460.667 3.131 20 0 JGADHN COC[C@@H](C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001300957319 1065763093 /nfs/dbraw/zinc/76/30/93/1065763093.db2.gz FEAYLYHWXZKVCP-ROUUACIJSA-N 0 3 478.435 3.149 20 0 JGADHN COC[C@@H](Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C)OC ZINC001301034292 1065875849 /nfs/dbraw/zinc/87/58/49/1065875849.db2.gz NHDOIJKFNNUXCZ-RBBKRZOGSA-N 0 3 489.686 3.230 20 0 JGADHN COC[C@@H](F)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C2CCCC2)CC1 ZINC001301065729 1065916341 /nfs/dbraw/zinc/91/63/41/1065916341.db2.gz HOLSEBNEXGEDLK-UXHICEINSA-N 0 3 494.656 3.442 20 0 JGADHN COCC1(C)CCN(c2nnc(Cc3ccc(F)cc3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001301098110 1065945030 /nfs/dbraw/zinc/94/50/30/1065945030.db2.gz CQMIMOYDOGSMTB-UHFFFAOYSA-N 0 3 472.653 3.287 20 0 JGADHN COCc1ccc(Cn2c(N3C[C@H](C)[C@H](N4CCCN(C(C)=O)CC4)C3)nnc2C(C)(C)C)cc1 ZINC001301165338 1066001491 /nfs/dbraw/zinc/00/14/91/1066001491.db2.gz XBCONWFMJUMJHA-GBXCKJPGSA-N 0 3 482.673 3.149 20 0 JGADHN COCC1=CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2CCC(C)CC2)CC1 ZINC001301186053 1066015480 /nfs/dbraw/zinc/01/54/80/1066015480.db2.gz VIQXIOMKOCBIQZ-UHFFFAOYSA-N 0 3 487.670 3.254 20 0 JGADHN COC[C@@H]1CCCCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccc(F)cc2)N(C)C)C1 ZINC001301247860 1066065054 /nfs/dbraw/zinc/06/50/54/1066065054.db2.gz BBWDEFVAIZDAGT-DENIHFKCSA-N 0 3 472.609 3.095 20 0 JGADHN COC[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)N(C)Cc2ccccc2)C1 ZINC001301255877 1066071038 /nfs/dbraw/zinc/07/10/38/1066071038.db2.gz IGLVMHGAAJOYLV-RBBKRZOGSA-N 0 3 477.613 3.309 20 0 JGADHN COC[C@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[C@H](C)N2CCCCC2)C1 ZINC001301266044 1066081651 /nfs/dbraw/zinc/08/16/51/1066081651.db2.gz OIOIJURAYKBKJJ-SFTDATJTSA-N 0 3 489.686 3.476 20 0 JGADHN COC[C@@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](c2ccccc2)N(C)C)C1 ZINC001301283075 1066091210 /nfs/dbraw/zinc/09/12/10/1066091210.db2.gz NMTITJATUUZYMT-TZIWHRDSSA-N 0 3 482.654 3.435 20 0 JGADHN COC[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C2CCCCC2)N(C)C)C1 ZINC001301298444 1066105250 /nfs/dbraw/zinc/10/52/50/1066105250.db2.gz LJAUOUMKIJYILP-AUSIDOKSSA-N 0 3 489.686 3.332 20 0 JGADHN COCCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001301955493 1066259604 /nfs/dbraw/zinc/25/96/04/1066259604.db2.gz YSQOTJYQAAMTBL-LJQANCHMSA-N 0 3 476.691 3.210 20 0 JGADHN COCC[C@](C)(O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C2CCCC2)CC1 ZINC001301459759 1066279559 /nfs/dbraw/zinc/27/95/59/1066279559.db2.gz OIJZSJCGUVVVRU-VWLOTQADSA-N 0 3 457.619 3.018 20 0 JGADHN COCC[C@@](C)(O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)(C)C)CC1 ZINC001301462502 1066285354 /nfs/dbraw/zinc/28/53/54/1066285354.db2.gz IQMMBLFTIKBXTR-UQBPGWFLSA-N 0 3 494.681 3.058 20 0 JGADHN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc3cccnc32)n1CC(C)(C)CN(C)C ZINC001301989905 1066308095 /nfs/dbraw/zinc/30/80/95/1066308095.db2.gz QESXATOBTHHZEM-QZTJIDSGSA-N 0 3 472.659 3.339 20 0 JGADHN C[C@@H](C(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1)N1CCCCCC1 ZINC001301495324 1066320090 /nfs/dbraw/zinc/32/00/90/1066320090.db2.gz ZQJXSAGKVKKGIM-IBGZPJMESA-N 0 3 452.640 3.005 20 0 JGADHN COCCO[C@H](C)c1nnc(N2C[C@H]3CCC[C@@H](C2)C3O)n1C[C@H](c1ccc(C)cc1)N(C)C ZINC001301997869 1066327510 /nfs/dbraw/zinc/32/75/10/1066327510.db2.gz FIFAHBWAJURJPH-KKEQRHKBSA-N 0 3 471.646 3.211 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2C[C@H]3CCC[C@@H](C2)C3O)n1C[C@H](c1ccc(C)cc1)N(C)C ZINC001301997871 1066328038 /nfs/dbraw/zinc/32/80/38/1066328038.db2.gz FIFAHBWAJURJPH-ZFTFRDSISA-N 0 3 471.646 3.211 20 0 JGADHN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(CCc2ccccc2)n1CC1(N(C)C)CCCC1 ZINC001302003513 1066338468 /nfs/dbraw/zinc/33/84/68/1066338468.db2.gz OOHKPKPVVHCHHR-PMACEKPBSA-N 0 3 461.676 3.196 20 0 JGADHN COCC[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001301516089 1066344571 /nfs/dbraw/zinc/34/45/71/1066344571.db2.gz JIYIJBJXJMLAEP-OAQYLSRUSA-N 0 3 475.081 3.411 20 0 JGADHN CCC1(N2CCOCC2)CCN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001302008173 1066350153 /nfs/dbraw/zinc/35/01/53/1066350153.db2.gz GNIMGGAIRKRPKG-DYESRHJHSA-N 0 3 451.970 3.102 20 0 JGADHN CCC1(N2CCOCC2)CCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1 ZINC001302008591 1066351304 /nfs/dbraw/zinc/35/13/04/1066351304.db2.gz INLGQQKUXSJDMO-KRWDZBQOSA-N 0 3 454.398 3.450 20 0 JGADHN COCCCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2ccccc2)CC1 ZINC001301530764 1066359425 /nfs/dbraw/zinc/35/94/25/1066359425.db2.gz UIIAGLXYQWIZTN-UHFFFAOYSA-N 0 3 454.619 3.043 20 0 JGADHN CC(C)(C)c1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1C[C@H](c1cccs1)N1CCCC1 ZINC001302079047 1066493386 /nfs/dbraw/zinc/49/33/86/1066493386.db2.gz WFKUBSGNRHSTQM-RBUKOAKNSA-N 0 3 494.731 3.240 20 0 JGADHN COCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001301632478 1066494418 /nfs/dbraw/zinc/49/44/18/1066494418.db2.gz JONOOPWEAYFJIM-LJQANCHMSA-N 0 3 465.017 3.379 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001302081342 1066500088 /nfs/dbraw/zinc/50/00/88/1066500088.db2.gz XBJXKNOQTZRGKJ-PMACEKPBSA-N 0 3 496.697 3.472 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1Cc1ccc(C)cc1F ZINC001302091181 1066518756 /nfs/dbraw/zinc/51/87/56/1066518756.db2.gz AKBQFYIFUOOGAY-VQTJNVASSA-N 0 3 475.609 3.187 20 0 JGADHN CC(C)(C)c1nnc(N2CCN(CC(F)F)CC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001302096137 1066526599 /nfs/dbraw/zinc/52/65/99/1066526599.db2.gz OVSZVCYFYNKINS-OAQYLSRUSA-N 0 3 476.616 3.254 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCN(C3CCC(C)CC3)CC2)n1C[C@](C)(O)c1ccco1 ZINC001302096218 1066526741 /nfs/dbraw/zinc/52/67/41/1066526741.db2.gz YEOXFPKLZRIUDF-USFSDMAWSA-N 0 3 475.634 3.204 20 0 JGADHN CC(=O)N1CC[C@H](CN(C)c2nnc([C@H]3CCCO3)n2C[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC001301663048 1066535719 /nfs/dbraw/zinc/53/57/19/1066535719.db2.gz GKPWYSWKBDFVSZ-YMPZKCBVSA-N 0 3 454.619 3.046 20 0 JGADHN CC(=O)N1CC[C@H](CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC001301663317 1066536613 /nfs/dbraw/zinc/53/66/13/1066536613.db2.gz VBVSKFXAFODUQY-ILBGXUMGSA-N 0 3 492.672 3.056 20 0 JGADHN COCCOc1ncccc1Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001302138474 1066584825 /nfs/dbraw/zinc/58/48/25/1066584825.db2.gz UCINZWSWPXUOON-UHFFFAOYSA-N 0 3 480.613 3.343 20 0 JGADHN CC(=O)N1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 ZINC001301705794 1066595136 /nfs/dbraw/zinc/59/51/36/1066595136.db2.gz PHWITYITORZKQO-HSZRJFAPSA-N 0 3 481.670 3.304 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)(C)C)n3Cc3ccccc3F)C[C@H]2C)CC1 ZINC001301707023 1066597054 /nfs/dbraw/zinc/59/70/54/1066597054.db2.gz ANSGDTMJJQSOSK-GCJKJVERSA-N 0 3 456.610 3.142 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)(C)C)n3CCc3sc(C)nc3C)C[C@@H]2C)CC1 ZINC001301707845 1066599553 /nfs/dbraw/zinc/59/95/53/1066599553.db2.gz GFLTVEWYWKUCEB-UWJYYQICSA-N 0 3 487.718 3.271 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3C[C@H](C)Oc3ccccc3F)C[C@@H]2C)CC1 ZINC001301708285 1066600005 /nfs/dbraw/zinc/60/00/05/1066600005.db2.gz KTWABRMWDZVYRF-SXWKCWPCSA-N 0 3 486.636 3.387 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)(C)C)n3CCCN(C)c3ccccc3)C[C@@H]2C)CC1 ZINC001301708392 1066600553 /nfs/dbraw/zinc/60/05/53/1066600553.db2.gz MKLPCNDGYXXGOB-DHLKQENFSA-N 0 3 495.716 3.481 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4cccc(C)n4)n3CCOCCC(C)C)C[C@@H]2C)CC1 ZINC001301708473 1066601285 /nfs/dbraw/zinc/60/12/85/1066601285.db2.gz NOKLBKZTPRFCEK-OFVILXPXSA-N 0 3 497.688 3.090 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CC(C)(C)O)C[C@H]2C)CC1 ZINC001301708477 1066601419 /nfs/dbraw/zinc/60/14/19/1066601419.db2.gz NQCRMMOPVZJHDA-HYBUGGRVSA-N 0 3 496.700 3.392 20 0 JGADHN COCCOC1CCN(c2nnc(C(C)(C)C)n2CCCN2CCN(c3ccccc3)CC2)CC1 ZINC001302161558 1066620705 /nfs/dbraw/zinc/62/07/05/1066620705.db2.gz FQFHVNFVHINTLT-UHFFFAOYSA-N 0 3 484.689 3.420 20 0 JGADHN CC(C)(C)Cc1nnc(N2CCN(C(C)(C)C)CC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F ZINC001302165316 1066626330 /nfs/dbraw/zinc/62/63/30/1066626330.db2.gz IHQAATNUADQXCX-GOSISDBHSA-N 0 3 474.616 3.440 20 0 JGADHN CC(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](c2ccc(F)cc2)N(C)C)[C@@H](C)C1 ZINC001301721875 1066627753 /nfs/dbraw/zinc/62/77/53/1066627753.db2.gz NDSRKDWWWLZNAR-KKSFZXQISA-N 0 3 485.995 3.493 20 0 JGADHN CC(C)(C)Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1ccccc1OC(F)F ZINC001302165761 1066628776 /nfs/dbraw/zinc/62/87/76/1066628776.db2.gz JHUDQZFEWUXOCU-UHFFFAOYSA-N 0 3 490.599 3.261 20 0 JGADHN COCCN(C)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001301722458 1066630245 /nfs/dbraw/zinc/63/02/45/1066630245.db2.gz QRTPCBUEAKXGHK-GHTZIAJQSA-N 0 3 463.598 3.387 20 0 JGADHN COCCN(C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@]2(C1)CCCOC2 ZINC001301723070 1066631606 /nfs/dbraw/zinc/63/16/06/1066631606.db2.gz VCAWIAIIBPTWOG-CYFREDJKSA-N 0 3 461.582 3.142 20 0 JGADHN COCCN(C)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC2(C1)CCOCC2 ZINC001301723107 1066633493 /nfs/dbraw/zinc/63/34/93/1066633493.db2.gz WCEANBJGISZGSR-LJQANCHMSA-N 0 3 461.582 3.142 20 0 JGADHN COCCN(C)CCn1c(C2CCC2)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC001301730969 1066649980 /nfs/dbraw/zinc/64/99/80/1066649980.db2.gz HQWWTGCOFJRYKL-UHFFFAOYSA-N 0 3 473.597 3.053 20 0 JGADHN COCCN(C)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC001301731112 1066650744 /nfs/dbraw/zinc/65/07/44/1066650744.db2.gz JZTNHDZAHMJKBP-RTWAWAEBSA-N 0 3 464.010 3.329 20 0 JGADHN COCCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2ccsc2)N(C)C)C1 ZINC001302176879 1066651843 /nfs/dbraw/zinc/65/18/43/1066651843.db2.gz WNKVQAAPOCGMAT-TZIWHRDSSA-N 0 3 456.616 3.255 20 0 JGADHN COCCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](c2ccsc2)N(C)C)C1 ZINC001302176877 1066651866 /nfs/dbraw/zinc/65/18/66/1066651866.db2.gz WNKVQAAPOCGMAT-FPOVZHCZSA-N 0 3 456.616 3.255 20 0 JGADHN CC(C)(C)Cc1nnc(N2CCN(CC3CCOCC3)CC2)n1CCn1cc(Br)cn1 ZINC001302176966 1066651905 /nfs/dbraw/zinc/65/19/05/1066651905.db2.gz SLSUDDRZNLBOQM-UHFFFAOYSA-N 0 3 494.482 3.075 20 0 JGADHN COCCN(C)CCn1c(C2CCCC2)nnc1N1CCN(Cc2cccc(Cl)c2)CC1 ZINC001301732518 1066652058 /nfs/dbraw/zinc/65/20/58/1066652058.db2.gz UDLVCDUTXAYMKB-UHFFFAOYSA-N 0 3 461.054 3.490 20 0 JGADHN COCCN(C)CCn1c([C@H]2CCCOC2)nnc1N1CCc2cc(Br)ccc2C1 ZINC001301732397 1066652162 /nfs/dbraw/zinc/65/21/62/1066652162.db2.gz SGUWCPZJTOELGA-IBGZPJMESA-N 0 3 478.435 3.076 20 0 JGADHN COCCN(C)CCn1c(Cc2ccccn2)nnc1N1CCc2c(F)cc(F)cc2[C@@H]1C ZINC001301733648 1066653931 /nfs/dbraw/zinc/65/39/31/1066653931.db2.gz HNEWYKGYWQGELR-KRWDZBQOSA-N 0 3 456.541 3.244 20 0 JGADHN COCCN(C)CCn1c(Cc2ccc(Cl)cc2)nnc1N(C)C1CCC2(CC1)OCCO2 ZINC001301735220 1066657250 /nfs/dbraw/zinc/65/72/50/1066657250.db2.gz XHGBQMDFVPGMNW-UHFFFAOYSA-N 0 3 478.037 3.222 20 0 JGADHN COCCN(C)CCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 ZINC001301735845 1066657987 /nfs/dbraw/zinc/65/79/87/1066657987.db2.gz GCXDRNPYFDKFPW-OAQYLSRUSA-N 0 3 459.591 3.226 20 0 JGADHN COCCN(C)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCOCC2(CCC2)C1 ZINC001301736587 1066658717 /nfs/dbraw/zinc/65/87/17/1066658717.db2.gz NSFOYHDBQUBHJR-UHFFFAOYSA-N 0 3 457.619 3.059 20 0 JGADHN COCCN(C)CCn1c(Cc2csc(C)n2)nnc1N1CCc2cc(Cl)ccc2C1 ZINC001301736919 1066659508 /nfs/dbraw/zinc/65/95/08/1066659508.db2.gz QPPUQEJLPRYBGR-UHFFFAOYSA-N 0 3 461.035 3.428 20 0 JGADHN COCCN(C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCc2ccc(Cl)cc2C1 ZINC001301737320 1066659571 /nfs/dbraw/zinc/65/95/71/1066659571.db2.gz WOBFKDBQCGJEJR-UHFFFAOYSA-N 0 3 489.045 3.064 20 0 JGADHN COCCN(C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC([C@@H]2CCCO2)CC1 ZINC001301739866 1066660760 /nfs/dbraw/zinc/66/07/60/1066660760.db2.gz GHLUAWHTAGXDAP-BHIFYINESA-N 0 3 463.667 3.170 20 0 JGADHN COCCN(C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001301740404 1066661299 /nfs/dbraw/zinc/66/12/99/1066661299.db2.gz JWLNHXXUBIQDTJ-AQNXPRMDSA-N 0 3 488.633 3.214 20 0 JGADHN COCCN(C)CCn1c(N2CCC(O)(c3ccccc3Cl)CC2)nnc1C(C)(C)C ZINC001301740913 1066662640 /nfs/dbraw/zinc/66/26/40/1066662640.db2.gz MEGQALYVWSHLPJ-UHFFFAOYSA-N 0 3 450.027 3.295 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)c2ccccn2)CC1 ZINC001302191011 1066672840 /nfs/dbraw/zinc/67/28/40/1066672840.db2.gz MVAABKLRMLZRQP-UHFFFAOYSA-N 0 3 467.662 3.445 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(=O)NCc2ccco2)CC1 ZINC001302191910 1066675619 /nfs/dbraw/zinc/67/56/19/1066675619.db2.gz CKKCXNSCAIXHBN-UHFFFAOYSA-N 0 3 482.604 3.476 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc([C@H]3CCOC3)n2CCOc2ncccc2Cl)CC1 ZINC001302192442 1066676868 /nfs/dbraw/zinc/67/68/68/1066676868.db2.gz HSGWHIKIOYZLJD-SFHVURJKSA-N 0 3 463.026 3.468 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(C3CCC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001302192897 1066678253 /nfs/dbraw/zinc/67/82/53/1066678253.db2.gz MZWCRIWBIKYDIU-IBGZPJMESA-N 0 3 472.600 3.367 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(CC3CC3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 ZINC001302193609 1066679667 /nfs/dbraw/zinc/67/96/67/1066679667.db2.gz SKXNXJQXHDXVCO-HXUWFJFHSA-N 0 3 468.637 3.145 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCCN2CCOCC2)CC1 ZINC001302201739 1066696742 /nfs/dbraw/zinc/69/67/42/1066696742.db2.gz BYEOVVOSLPDZAD-UHFFFAOYSA-N 0 3 458.626 3.041 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCSC2)CC1 ZINC001302202062 1066697311 /nfs/dbraw/zinc/69/73/11/1066697311.db2.gz CDFDJBKLORIYHJ-QGZVFWFLSA-N 0 3 463.673 3.022 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001302202323 1066697847 /nfs/dbraw/zinc/69/78/47/1066697847.db2.gz DXCRHTPUTDKKML-UHFFFAOYSA-N 0 3 489.045 3.366 20 0 JGADHN CC(C)(C)N1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCOCC(F)F)CC1 ZINC001302202154 1066697898 /nfs/dbraw/zinc/69/78/98/1066697898.db2.gz FWZZDSWQGCSFLK-IBGZPJMESA-N 0 3 465.545 3.383 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC2(O)CCOCC2)CC1 ZINC001302203212 1066699099 /nfs/dbraw/zinc/69/90/99/1066699099.db2.gz QBOZCDIRXUFQTC-UHFFFAOYSA-N 0 3 478.037 3.363 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@]2(O)CCSC2)CC1 ZINC001302203273 1066699943 /nfs/dbraw/zinc/69/99/43/1066699943.db2.gz QSKOJDALSLEDGA-QFIPXVFZSA-N 0 3 466.051 3.299 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(CC3CCCC3)n2CCNC(=O)Cc2cccc(F)c2)CC1 ZINC001302203503 1066699989 /nfs/dbraw/zinc/69/99/89/1066699989.db2.gz SMNXPHDAHMHSAH-UHFFFAOYSA-N 0 3 470.637 3.429 20 0 JGADHN CC(C)(C)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(OC(F)(F)F)cc2)CC1 ZINC001302203741 1066700716 /nfs/dbraw/zinc/70/07/16/1066700716.db2.gz URTNMGHIXWOGDP-SFHVURJKSA-N 0 3 480.535 3.291 20 0 JGADHN CC(C)(C)OC(=O)N1CCC[C@H](c2nnc(N3CCN(C(C)(C)C)CC3)n2CC2(O)CCC2)C1 ZINC001302222498 1066731227 /nfs/dbraw/zinc/73/12/27/1066731227.db2.gz BEJVQHMOPZZFCS-IBGZPJMESA-N 0 3 476.666 3.228 20 0 JGADHN CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@H]2CCCO2)C1 ZINC001302225884 1066739044 /nfs/dbraw/zinc/73/90/44/1066739044.db2.gz VWOPZDRTTCWXNS-UXHICEINSA-N 0 3 476.666 3.492 20 0 JGADHN CC(=O)Nc1ccc(Cn2c(N3CC[C@@H](N4CCN(C(C)C)CC4)C3)nnc2C(C)(C)C)cc1 ZINC001301794010 1066744026 /nfs/dbraw/zinc/74/40/26/1066744026.db2.gz QBUGBHZVAJDKAP-HSZRJFAPSA-N 0 3 467.662 3.187 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)c2ccccc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001302248366 1066780996 /nfs/dbraw/zinc/78/09/96/1066780996.db2.gz QNMXSDMNKKTRHS-NHTMILBNSA-N 0 3 484.689 3.268 20 0 JGADHN CC(=O)N[C@@H]1CCCN(c2nnc(Cc3csc(C)n3)n2CCN(C)Cc2ccc(F)cc2)C1 ZINC001301830204 1066795908 /nfs/dbraw/zinc/79/59/08/1066795908.db2.gz WGBBGNHHWPZVRR-OAQYLSRUSA-N 0 3 485.633 3.010 20 0 JGADHN CC(C)(C)OC(=O)NCCCCn1c(Cc2ccccn2)nnc1N1CCN(CC2CC2)CC1 ZINC001302266001 1066821812 /nfs/dbraw/zinc/82/18/12/1066821812.db2.gz IHDROYAHYCAIIX-UHFFFAOYSA-N 0 3 469.634 3.101 20 0 JGADHN CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@@H](c2cccc(F)c2)N(C)C)C1 ZINC001301858486 1066840985 /nfs/dbraw/zinc/84/09/85/1066840985.db2.gz OWSKDQSAXBBZGB-XXBNENTESA-N 0 3 467.593 3.078 20 0 JGADHN CC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC001301871668 1066865965 /nfs/dbraw/zinc/86/59/65/1066865965.db2.gz FIDYLZAUWOJPIK-ACIOBRDBSA-N 0 3 454.619 3.093 20 0 JGADHN COCCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCc2n[nH]c(C)n2)C[C@H]1C ZINC001301887124 1066899732 /nfs/dbraw/zinc/89/97/32/1066899732.db2.gz GKDSPHPYUOXLKE-GOSISDBHSA-N 0 3 466.634 3.069 20 0 JGADHN COCCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCc2nc(C)n[nH]2)C[C@H]1C ZINC001301887124 1066899741 /nfs/dbraw/zinc/89/97/41/1066899741.db2.gz GKDSPHPYUOXLKE-GOSISDBHSA-N 0 3 466.634 3.069 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C(C)C)C2)n1C[C@H](c1cccs1)N(C)C ZINC001302312239 1066907018 /nfs/dbraw/zinc/90/70/18/1066907018.db2.gz XBBAJEYTQWLXSR-PXCRPINLSA-N 0 3 463.648 3.228 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CCOCC3)CC2)n1C[C@@H](SC)C(C)(C)C ZINC001302312721 1066908356 /nfs/dbraw/zinc/90/83/56/1066908356.db2.gz ZHSUQHKJBJDJCW-TYPHKJRUSA-N 0 3 481.707 3.081 20 0 JGADHN CC(C)(C)[S@@](=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001302320378 1066917709 /nfs/dbraw/zinc/91/77/09/1066917709.db2.gz DLLMIPHBGBUVPV-XIFFEERXSA-N 0 3 495.093 3.089 20 0 JGADHN COCCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CN(CC(C)C)CCO2)C[C@@H]1C ZINC001301896044 1066917986 /nfs/dbraw/zinc/91/79/86/1066917986.db2.gz DFWCKIYJULLVOZ-LEWJYISDSA-N 0 3 491.080 3.112 20 0 JGADHN COCCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccccc2Cl)N(C)C)C[C@@H]1C ZINC001301910466 1066934832 /nfs/dbraw/zinc/93/48/32/1066934832.db2.gz CNSCCGKWGHEVDS-MIZPHKNDSA-N 0 3 491.080 3.285 20 0 JGADHN COCCN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CN(Cc3ccccc3)CCCO2)C[C@H]1C ZINC001301913052 1066941237 /nfs/dbraw/zinc/94/12/37/1066941237.db2.gz SJLOIZQBSRQENT-NOZRDPDXSA-N 0 3 498.716 3.315 20 0 JGADHN CC(C)(CN1CCCC1)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001302349667 1066944835 /nfs/dbraw/zinc/94/48/35/1066944835.db2.gz FNTMQKPCIWXUIY-FQEVSTJZSA-N 0 3 480.078 3.268 20 0 JGADHN COCCN1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](c2ccsc2)N(C)C)CC1 ZINC001301920891 1066954224 /nfs/dbraw/zinc/95/42/24/1066954224.db2.gz DMGDWHNIDHVGTH-FQEVSTJZSA-N 0 3 460.673 3.063 20 0 JGADHN COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccccn3)n2C[C@H](c2ccsc2)N(C)C)C1 ZINC001301935897 1066977216 /nfs/dbraw/zinc/97/72/16/1066977216.db2.gz BAAIBCRCBLCUHW-NNMXDRDESA-N 0 3 497.669 3.072 20 0 JGADHN CS(=O)(=O)[C@H]1CCCCN(c2nnc(-c3ccc(Cl)nc3)n2CCCN2CCCCC2)C1 ZINC001302427750 1067013401 /nfs/dbraw/zinc/01/34/01/1067013401.db2.gz JPPSIHVLOKYUMF-IBGZPJMESA-N 0 3 481.066 3.273 20 0 JGADHN CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCN2CCCC2)C1 ZINC001302435754 1067030931 /nfs/dbraw/zinc/03/09/31/1067030931.db2.gz WTHNSPWBVJKXSD-QGZVFWFLSA-N 0 3 470.014 3.237 20 0 JGADHN CC(C)(C)OC(=O)NC1(C)CCN(c2nnc(-c3ccccn3)n2CCN2CC=CCC2)CC1 ZINC001303998489 1067041020 /nfs/dbraw/zinc/04/10/20/1067041020.db2.gz VPMZLTBMZNOMNL-UHFFFAOYSA-N 0 3 467.618 3.486 20 0 JGADHN CC(C)[C@@](C)(O)Cn1c(-c2ccccc2F)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001302483152 1067082181 /nfs/dbraw/zinc/08/21/81/1067082181.db2.gz BFDJFAQTPNMSHH-VWLOTQADSA-N 0 3 469.609 3.289 20 0 JGADHN CC(C)[C@](C)(O)Cn1c(CCCc2ccccc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001302499455 1067097724 /nfs/dbraw/zinc/09/77/24/1067097724.db2.gz BPDMFLBSCXVOIR-JYFHCDHNSA-N 0 3 455.647 3.019 20 0 JGADHN CC(C)[C@](C)(O)Cn1c(CCCc2ccccc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001302499457 1067098276 /nfs/dbraw/zinc/09/82/76/1067098276.db2.gz BPDMFLBSCXVOIR-ZEQKJWHPSA-N 0 3 455.647 3.019 20 0 JGADHN Cc1ncsc1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001304065305 1067109861 /nfs/dbraw/zinc/10/98/61/1067109861.db2.gz HOYXBTLPNWKUDQ-UHFFFAOYSA-N 0 3 482.658 3.491 20 0 JGADHN CSC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2ccccc2)CC1 ZINC001302511011 1067120511 /nfs/dbraw/zinc/12/05/11/1067120511.db2.gz NQEJEKBBJFMHJX-UHFFFAOYSA-N 0 3 456.660 3.368 20 0 JGADHN CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCN2CCCCC2)CC1 ZINC001302511138 1067121102 /nfs/dbraw/zinc/12/11/02/1067121102.db2.gz QPVLVLVWMDHFQD-RBBKRZOGSA-N 0 3 460.667 3.383 20 0 JGADHN CC(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(F)c(F)c(F)c1)N1CCCC1 ZINC001302527541 1067154153 /nfs/dbraw/zinc/15/41/53/1067154153.db2.gz YIISHQKXVGREIA-XLIONFOSSA-N 0 3 499.603 3.354 20 0 JGADHN CC(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(C(C)(C)C)CC1)c1cccnc1 ZINC001302528973 1067157198 /nfs/dbraw/zinc/15/71/98/1067157198.db2.gz PGQRFGPKFOCGHY-NRFANRHFSA-N 0 3 453.635 3.156 20 0 JGADHN CS[C@H](C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001302542633 1067174882 /nfs/dbraw/zinc/17/48/82/1067174882.db2.gz UGXRLYXHKOKCAG-GUDVDZBRSA-N 0 3 463.623 3.467 20 0 JGADHN O=C(C[C@@H](c1ccccc1)N1CCOC1=O)N1CCCN(Cc2ccccc2)CCOCC1 ZINC001304166431 1067212799 /nfs/dbraw/zinc/21/27/99/1067212799.db2.gz XICBCKNRLIZETD-DEOSSOPVSA-N 0 3 451.567 3.321 20 0 JGADHN CC(C)c1nnc(N(C)Cc2ncnn2CC(F)F)n1C[C@H](C)N1CCc2ccccc2C1 ZINC001302588005 1067225343 /nfs/dbraw/zinc/22/53/43/1067225343.db2.gz PFICYGRPMZBOMM-KRWDZBQOSA-N 0 3 458.561 3.341 20 0 JGADHN CN1CCN(C2CCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)C3CCCCCC3)CC2)CC1 ZINC001302596501 1067233386 /nfs/dbraw/zinc/23/33/86/1067233386.db2.gz GVHKJRLUEJNKEZ-QFIPXVFZSA-N 0 3 450.668 3.336 20 0 JGADHN Cc1cc(CN(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCC[C@H]2C)no1 ZINC001304198944 1067249043 /nfs/dbraw/zinc/24/90/43/1067249043.db2.gz ZVMPLXNOCBPKIJ-MRXNPFEDSA-N 0 3 471.993 3.279 20 0 JGADHN CSc1cc(C)ccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001302632100 1067260502 /nfs/dbraw/zinc/26/05/02/1067260502.db2.gz KPNSGFCLUGQCEO-QFIPXVFZSA-N 0 3 499.729 3.100 20 0 JGADHN CSc1cc(C)ccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001302632099 1067260591 /nfs/dbraw/zinc/26/05/91/1067260591.db2.gz KPNSGFCLUGQCEO-JOCHJYFZSA-N 0 3 499.729 3.100 20 0 JGADHN CC(C)c1nnc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001302671263 1067297222 /nfs/dbraw/zinc/29/72/22/1067297222.db2.gz PKCDEGHPHAPRHJ-JOCHJYFZSA-N 0 3 454.619 3.190 20 0 JGADHN Cc1ccc(C(=O)NCCn2c(-c3cccc(C)n3)nnc2N2CCN(CC(C)C)CC2)cc1 ZINC001304263762 1067297988 /nfs/dbraw/zinc/29/79/88/1067297988.db2.gz RKHIGDZSOKOBQD-UHFFFAOYSA-N 0 3 461.614 3.165 20 0 JGADHN Cc1ccc(C(C)C)c(OCc2nnc(N3CCOCC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)c1 ZINC001304270750 1067305520 /nfs/dbraw/zinc/30/55/20/1067305520.db2.gz FCLCJYLZSDFCOX-QHCPKHFHSA-N 0 3 498.672 3.068 20 0 JGADHN Cc1nc(CCn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCN(C(C)C)CC2)n[nH]1 ZINC001304272894 1067308978 /nfs/dbraw/zinc/30/89/78/1067308978.db2.gz HRVMQUPGIZSSCT-UHFFFAOYSA-N 0 3 466.634 3.489 20 0 JGADHN Cc1n[nH]c(CCn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCN(C(C)C)CC2)n1 ZINC001304272894 1067308994 /nfs/dbraw/zinc/30/89/94/1067308994.db2.gz HRVMQUPGIZSSCT-UHFFFAOYSA-N 0 3 466.634 3.489 20 0 JGADHN Cc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC(C)(C)OC(C)(C)C2)N(C)C)cc1 ZINC001304273262 1067309521 /nfs/dbraw/zinc/30/95/21/1067309521.db2.gz JOBYOWDMKRPIAH-HXUWFJFHSA-N 0 3 456.635 3.421 20 0 JGADHN CSCc1cccc(Cn2c(C(C)C)nnc2N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC001302686197 1067311784 /nfs/dbraw/zinc/31/17/84/1067311784.db2.gz DZOSWOXKNRPKPD-NRFANRHFSA-N 0 3 456.660 3.056 20 0 JGADHN Cc1ccc([C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](c3ccco3)C2)N(C)C)cc1 ZINC001304274977 1067312085 /nfs/dbraw/zinc/31/20/85/1067312085.db2.gz OWYMQWDOZVDKQY-JBACZVJFSA-N 0 3 486.642 3.087 20 0 JGADHN Cc1ccc([C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC=C(Br)C2)N(C)C)cc1 ZINC001304275983 1067314381 /nfs/dbraw/zinc/31/43/81/1067314381.db2.gz RDICLZLKEAZINO-OALUTQOASA-N 0 3 473.419 3.329 20 0 JGADHN Cc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(Cn3cccn3)CC2)N(C)C)cc1 ZINC001304276730 1067315436 /nfs/dbraw/zinc/31/54/36/1067315436.db2.gz UNTPCYBMQKXHDP-QHCPKHFHSA-N 0 3 478.645 3.141 20 0 JGADHN Cc1ccc([C@@H](Cn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)OCC(C)C)CC2)N(C)C)cc1 ZINC001304278768 1067319406 /nfs/dbraw/zinc/31/94/06/1067319406.db2.gz NYLRCGLIOVOFEN-DHIUTWEWSA-N 0 3 484.645 3.308 20 0 JGADHN Cc1ccc([C@@H](Cn2c([C@@H]3CCOC3)nnc2N(C)CC2COC(C)(C)OC2)N(C)C)cc1 ZINC001304279257 1067319808 /nfs/dbraw/zinc/31/98/08/1067319808.db2.gz SVKPWQOMGDRKLO-FGZHOGPDSA-N 0 3 457.619 3.229 20 0 JGADHN CSC[C@H]1CCCN1c1nnc(CC(C)(C)C)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001302707415 1067329082 /nfs/dbraw/zinc/32/90/82/1067329082.db2.gz QOTURGJOQCHENW-RTBURBONSA-N 0 3 450.697 3.141 20 0 JGADHN Cc1ccc(C)c(OCc2nnc(N3CCN(C(=O)[C@@H]4CCCN4C)CC3)n2CCCOC(C)C)c1 ZINC001304287890 1067331394 /nfs/dbraw/zinc/33/13/94/1067331394.db2.gz ALGWSNRRCAYCFN-QHCPKHFHSA-N 0 3 498.672 3.032 20 0 JGADHN COc1ccc(C2N=NC(=S)N2CCC(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2)cc1 ZINC001302721617 1067337325 /nfs/dbraw/zinc/33/73/25/1067337325.db2.gz GRHMPEKJAGNZIP-FQEVSTJZSA-N 0 3 451.596 3.332 20 0 JGADHN CC(C)[C@@H]1CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(N(C)C)CCOCC1 ZINC001302735956 1067348642 /nfs/dbraw/zinc/34/86/42/1067348642.db2.gz DPLFVCJJMRCIJF-NRFANRHFSA-N 0 3 475.659 3.084 20 0 JGADHN Cc1ccc(-c2nnc(N3CCC(N(C)S(C)(=O)=O)CC3)n2C[C@H](c2ccsc2)N(C)C)o1 ZINC001304314291 1067361541 /nfs/dbraw/zinc/36/15/41/1067361541.db2.gz ONCDNYASVSVYLE-LJQANCHMSA-N 0 3 492.671 3.071 20 0 JGADHN CC(C)[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCC[C@H]2C)CCO1 ZINC001302769350 1067367993 /nfs/dbraw/zinc/36/79/93/1067367993.db2.gz GWKIMOQFXGLSOK-NQIIRXRSSA-N 0 3 475.037 3.207 20 0 JGADHN Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CCCCC3)CC2)c(C)c1 ZINC001304349799 1067391177 /nfs/dbraw/zinc/39/11/77/1067391177.db2.gz JBCDVZACEYIKPA-FQEVSTJZSA-N 0 3 474.675 3.008 20 0 JGADHN CC(C)C[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)N(C)C ZINC001302809624 1067398257 /nfs/dbraw/zinc/39/82/57/1067398257.db2.gz YDXZZDLRPLGQCV-PMACEKPBSA-N 0 3 470.643 3.093 20 0 JGADHN Cc1ccc(F)c(CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(N(C)C)CCSC2)c1 ZINC001304365295 1067404246 /nfs/dbraw/zinc/40/42/46/1067404246.db2.gz MIYWSZZVBZCADQ-XMMPIXPASA-N 0 3 483.617 3.447 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N(C)Cc3cnn(C)c3)n2CCN2CCC[C@@H]2C)cc1C ZINC001304374886 1067414250 /nfs/dbraw/zinc/41/42/50/1067414250.db2.gz ORVTZDIFRYUCBQ-IBGZPJMESA-N 0 3 450.591 3.001 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N(C)CCNC(=O)C(C)C)n2C[C@H]2N(C)CCCC2(C)C)cc1C ZINC001304375868 1067416255 /nfs/dbraw/zinc/41/62/55/1067416255.db2.gz RADPNPJHDUSSIS-JOCHJYFZSA-N 0 3 497.688 3.476 20 0 JGADHN CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N[C@@H]3CCC[C@@H]3N3CCC(O)CC3)cc2CC1 ZINC001302835496 1067422950 /nfs/dbraw/zinc/42/29/50/1067422950.db2.gz QTHYEIKCEDRVAP-PKTZIBPZSA-N 0 3 457.615 3.130 20 0 JGADHN CC(C)Cc1nnc(N(C)CC(C)(C)CN2CCOCC2)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001302839186 1067425874 /nfs/dbraw/zinc/42/58/74/1067425874.db2.gz AZFWDEBHOREQGZ-SZPZYZBQSA-N 0 3 478.726 3.159 20 0 JGADHN CC(C)Cc1nnc(N(C)C[C@@H](c2cccs2)N2CCOCC2)n1CCN1CC=CCC1 ZINC001302839903 1067426438 /nfs/dbraw/zinc/42/64/38/1067426438.db2.gz JUFQBFQZUFEYDC-NRFANRHFSA-N 0 3 458.676 3.310 20 0 JGADHN C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2CCCC2)C[C@H]1C(F)(F)F ZINC001302851108 1067435473 /nfs/dbraw/zinc/43/54/73/1067435473.db2.gz ZHSOAXSFUQGECC-VQIMIIECSA-N 0 3 485.576 3.469 20 0 JGADHN CC(C)Cc1nnc(N(C)CCN2CCOC(C)(C)C2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001302856879 1067440064 /nfs/dbraw/zinc/44/00/64/1067440064.db2.gz DEFSQBZQNHDAOK-QFIPXVFZSA-N 0 3 460.642 3.466 20 0 JGADHN CC(C)Cc1nnc(N(C)CCN2C[C@@H](C)O[C@@H](C)C2)n1CCN1CCc2ccccc2C1 ZINC001302857243 1067440102 /nfs/dbraw/zinc/44/01/02/1067440102.db2.gz QYPSOJZWKXYPHM-SZPZYZBQSA-N 0 3 454.663 3.080 20 0 JGADHN CC(C)Cc1nnc(N(Cc2ccco2)C[C@@H]2CCCO2)n1CCN1CCN(C)C(C)(C)C1 ZINC001302860916 1067443608 /nfs/dbraw/zinc/44/36/08/1067443608.db2.gz IZTOWALEQCELTN-QFIPXVFZSA-N 0 3 458.651 3.281 20 0 JGADHN C[C@@H]1CN(C2CCOCC2)CCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(F)(F)F ZINC001302867345 1067448487 /nfs/dbraw/zinc/44/84/87/1067448487.db2.gz SXQNNSQWNHFAIQ-KBAYOESNSA-N 0 3 459.557 3.449 20 0 JGADHN C[C@H](Cn1c(Cc2ccsc2)nnc1N1CCN(CC2CC2)CC1)NC(=O)OC(C)(C)C ZINC001302871102 1067451846 /nfs/dbraw/zinc/45/18/46/1067451846.db2.gz ICCSHNPBPSGIFB-QGZVFWFLSA-N 0 3 460.648 3.376 20 0 JGADHN Cc1ccc(O[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CCCC3)CC2)cc1 ZINC001304394286 1067455065 /nfs/dbraw/zinc/45/50/65/1067455065.db2.gz ZBRUGJDPXCGNGF-FQEVSTJZSA-N 0 3 454.619 3.257 20 0 JGADHN CC(C)Cc1nnc(N2CCC(CN3CCOCC3)CC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001302893281 1067473870 /nfs/dbraw/zinc/47/38/70/1067473870.db2.gz WMDFVYNQUOJPLC-HXUWFJFHSA-N 0 3 478.682 3.281 20 0 JGADHN C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCN2CCN(C)C(C)(C)C2)C[C@H](C)C1(F)F ZINC001302894710 1067475472 /nfs/dbraw/zinc/47/54/72/1067475472.db2.gz PQTKWBWTYXUKAY-KDURUIRLSA-N 0 3 461.605 3.017 20 0 JGADHN Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CCCN2CCCC[C@@H]2C)cc1C ZINC001304411388 1067479240 /nfs/dbraw/zinc/47/92/40/1067479240.db2.gz SWFMCVCJULDQRS-GMAHTHKFSA-N 0 3 489.686 3.362 20 0 JGADHN CC(C)Cc1nnc(N2CCC(OC(C)(C)C)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001302900696 1067483584 /nfs/dbraw/zinc/48/35/84/1067483584.db2.gz CNLNGHJLJCZKJL-NRFANRHFSA-N 0 3 462.683 3.203 20 0 JGADHN CC(C)Cc1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001302928269 1067505932 /nfs/dbraw/zinc/50/59/32/1067505932.db2.gz DNUHEENUUZOXNW-NHCUHLMSSA-N 0 3 462.683 3.203 20 0 JGADHN CC(C)Cc1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 ZINC001302932006 1067507485 /nfs/dbraw/zinc/50/74/85/1067507485.db2.gz ROZHJANNWDCHRN-JTAQYXEDSA-N 0 3 453.697 3.391 20 0 JGADHN FC(F)(F)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001302935135 1067509345 /nfs/dbraw/zinc/50/93/45/1067509345.db2.gz YNNXVSVHDZTVOE-AWEZNQCLSA-N 0 3 474.325 3.428 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C3CCOCC3)CC2)n1CCCCNC(=O)OC(C)(C)C ZINC001302957259 1067529032 /nfs/dbraw/zinc/52/90/32/1067529032.db2.gz MNRUAFZACBCOMR-UHFFFAOYSA-N 0 3 464.655 3.083 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C3CCCC3)CC2)n1CCNc1nccc(C(F)(F)F)n1 ZINC001302957627 1067529429 /nfs/dbraw/zinc/52/94/29/1067529429.db2.gz RLULZDGRVSQMAI-UHFFFAOYSA-N 0 3 466.556 3.462 20 0 JGADHN Cc1cccc(-c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CC[C@H](C)N(C)Cc2ccccc2)n1 ZINC001304453480 1067534818 /nfs/dbraw/zinc/53/48/18/1067534818.db2.gz YVAJKXXZFREDRF-UNMCSNQZSA-N 0 3 482.654 3.182 20 0 JGADHN Cc1cccc(-c2nnc(N(C)CC(=O)NC(C)(C)C)n2CCN2CCc3ccccc3C2)n1 ZINC001304453749 1067535177 /nfs/dbraw/zinc/53/51/77/1067535177.db2.gz WNZHJGJQQRENNY-UHFFFAOYSA-N 0 3 461.614 3.058 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1Cc1cccc(C(F)(F)F)n1 ZINC001302965092 1067535418 /nfs/dbraw/zinc/53/54/18/1067535418.db2.gz PKZCVEITYTVIJY-KRWDZBQOSA-N 0 3 452.525 3.097 20 0 JGADHN Fc1cccc(F)c1Cc1nnc(N2CCN(C3CCOCC3)CC2)n1CCCOCC(F)F ZINC001302969595 1067538219 /nfs/dbraw/zinc/53/82/19/1067538219.db2.gz OBIYQTSNOXFHDJ-UHFFFAOYSA-N 0 3 485.526 3.120 20 0 JGADHN CC(C)Cc1nnc(N2CCO[C@](C)(c3cnn(C)c3)C2)n1C[C@@H](c1cccs1)N(C)C ZINC001302971501 1067539645 /nfs/dbraw/zinc/53/96/45/1067539645.db2.gz FBLSRXRXCFHUTE-CVDCTZTESA-N 0 3 457.648 3.327 20 0 JGADHN CC(C)Cc1nnc(N2CCO[C@@H](COC(C)C)C2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001302977110 1067543105 /nfs/dbraw/zinc/54/31/05/1067543105.db2.gz RJZRMRRZZBKQBB-LOSJGSFVSA-N 0 3 485.673 3.398 20 0 JGADHN Cc1cccc(-c2nnc(N3CCC(CN4CCOCC4)CC3)n2CCCOCC(C)C)n1 ZINC001304467405 1067545674 /nfs/dbraw/zinc/54/56/74/1067545674.db2.gz MAWIQDWPVDMSHW-UHFFFAOYSA-N 0 3 456.635 3.260 20 0 JGADHN Cc1cccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2C[C@@H](c2cccs2)N(C)C)n1 ZINC001304468502 1067547119 /nfs/dbraw/zinc/54/71/19/1067547119.db2.gz GFSRCTATUVGBFU-IBGZPJMESA-N 0 3 453.616 3.105 20 0 JGADHN Cc1cccc(CCn2c(C(=O)NC(C)C)nnc2N2CCCN(Cc3ccccc3)CC2)n1 ZINC001304491466 1067569492 /nfs/dbraw/zinc/56/94/92/1067569492.db2.gz SHXWQTRMLVTCIW-UHFFFAOYSA-N 0 3 461.614 3.075 20 0 JGADHN Cc1cccc(OCc2nnc(N3CCC[C@@H](CN4CCC(C)CC4)C3)n2CCS(C)(=O)=O)c1 ZINC001304509075 1067583245 /nfs/dbraw/zinc/58/32/45/1067583245.db2.gz CFGVXXZTZPQGGA-QFIPXVFZSA-N 0 3 489.686 3.158 20 0 JGADHN CC(C)CCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001303040086 1067585249 /nfs/dbraw/zinc/58/52/49/1067585249.db2.gz GCGIZMHNBNOTNQ-QFIPXVFZSA-N 0 3 472.609 3.175 20 0 JGADHN Cc1cccc(OCc2nnc(N3CCN(C4CCCCC4)CC3)n2CC(=O)NCC(F)F)c1 ZINC001304512466 1067589339 /nfs/dbraw/zinc/58/93/39/1067589339.db2.gz PNCKJASROAFMTN-UHFFFAOYSA-N 0 3 476.572 3.002 20 0 JGADHN Cc1ccccc1-c1nnc(N2CCN(CCOC(C)C)CC2)n1CCCN1C[C@@H](C)O[C@@H](C)C1 ZINC001304536605 1067607512 /nfs/dbraw/zinc/60/75/12/1067607512.db2.gz CRMVTXAPUVAMIF-PSWAGMNNSA-N 0 3 484.689 3.300 20 0 JGADHN Cc1ccccc1-c1nnc(N2CCN(C3CCOCC3)CC2)n1CCNC(=O)OC(C)(C)C ZINC001304536751 1067607772 /nfs/dbraw/zinc/60/77/72/1067607772.db2.gz HCFPZHQCNKLEOD-UHFFFAOYSA-N 0 3 470.618 3.079 20 0 JGADHN Cc1ccccc1-c1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1C[C@@H](c1cccs1)N(C)C ZINC001304537163 1067608705 /nfs/dbraw/zinc/60/87/05/1067608705.db2.gz NJPNIKOPQYMYKA-QFIPXVFZSA-N 0 3 495.697 3.265 20 0 JGADHN Cc1ccccc1Cc1nnc(N(C)CC2COC(C)(C)OC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001304546780 1067615922 /nfs/dbraw/zinc/61/59/22/1067615922.db2.gz CSFZLWZMYSAIHB-UHFFFAOYSA-N 0 3 484.689 3.039 20 0 JGADHN Cc1ccccc1Cc1nnc(N2CC(=O)N(C)C[C@H]2C)n1C[C@@H](c1cccs1)N(C)C ZINC001304550537 1067620037 /nfs/dbraw/zinc/62/00/37/1067620037.db2.gz XTMUOCBKZVLYPB-QUCCMNQESA-N 0 3 452.628 3.209 20 0 JGADHN Cc1ccccc1Cc1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1CC1(N(C)C)CCCC1 ZINC001304557154 1067626023 /nfs/dbraw/zinc/62/60/23/1067626023.db2.gz PWMGBPWHLLBWDY-JOCHJYFZSA-N 0 3 473.687 3.455 20 0 JGADHN CC(C)CCOc1ccc(-c2nnc(N3CCN(CC(C)C)CC3)n2Cc2ncn(C)n2)cc1 ZINC001303100764 1067639009 /nfs/dbraw/zinc/63/90/09/1067639009.db2.gz GVTBZBIKZUAUMA-UHFFFAOYSA-N 0 3 466.634 3.325 20 0 JGADHN Cc1ccccc1O[C@@H](C)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001304572438 1067641125 /nfs/dbraw/zinc/64/11/25/1067641125.db2.gz GXJYCHKYIOWVGF-VXKWHMMOSA-N 0 3 482.673 3.385 20 0 JGADHN CC(C)CCOCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001303118621 1067657231 /nfs/dbraw/zinc/65/72/31/1067657231.db2.gz ZQEDSXZORBTEEA-QFIPXVFZSA-N 0 3 489.064 3.404 20 0 JGADHN CC1=CCCN(c2nnc(COc3ccccc3F)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC001304589742 1067657256 /nfs/dbraw/zinc/65/72/56/1067657256.db2.gz HVVOIWULPRVTKL-NRFANRHFSA-N 0 3 470.593 3.095 20 0 JGADHN CC1=CCCN(c2nnc(COc3ccccc3F)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001304589744 1067657291 /nfs/dbraw/zinc/65/72/91/1067657291.db2.gz HVVOIWULPRVTKL-OAQYLSRUSA-N 0 3 470.593 3.095 20 0 JGADHN OCCCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CCCC2)CC1 ZINC001303159933 1067695666 /nfs/dbraw/zinc/69/56/66/1067695666.db2.gz NKOKDSGWQSTRKW-UHFFFAOYSA-N 0 3 465.614 3.327 20 0 JGADHN OCCCSCCn1c(-c2ccc(F)cc2Br)nnc1N1CCN(CC2CC2)CC1 ZINC001303160246 1067696055 /nfs/dbraw/zinc/69/60/55/1067696055.db2.gz NWVMPCWSOURLKT-UHFFFAOYSA-N 0 3 498.466 3.494 20 0 JGADHN Cc1csc(CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(N(C)C)CCSC2)c1 ZINC001304626153 1067696986 /nfs/dbraw/zinc/69/69/86/1067696986.db2.gz NPDLJRMMXMBOBW-QFIPXVFZSA-N 0 3 471.656 3.369 20 0 JGADHN CC(C)CN1CCN(c2nnc(C(=O)NC(C)C)n2CC2(c3ccc(F)cc3)CCOCC2)CC1 ZINC001303177983 1067710484 /nfs/dbraw/zinc/71/04/84/1067710484.db2.gz IASNCYRPNJCLBU-UHFFFAOYSA-N 0 3 486.636 3.082 20 0 JGADHN CC(C)CN1CCC[C@@H](Cn2c(Cc3ccccn3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001303178836 1067712438 /nfs/dbraw/zinc/71/24/38/1067712438.db2.gz OFJAOZGGBCMUQH-FYYLOGMGSA-N 0 3 488.702 3.035 20 0 JGADHN CC(C)CN1CCC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccc2F)C1 ZINC001303179072 1067712751 /nfs/dbraw/zinc/71/27/51/1067712751.db2.gz PYXMKPLTXRBTSY-CTNGQTDRSA-N 0 3 477.650 3.324 20 0 JGADHN Cc1nc(C)c(Cn2c(N3CCN(C(C)(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)s1 ZINC001304644286 1067712922 /nfs/dbraw/zinc/71/29/22/1067712922.db2.gz NMQPMKWWDHPHLX-HSZRJFAPSA-N 0 3 462.664 3.361 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCOCCS(C)(=O)=O)CC1 ZINC001303182872 1067714968 /nfs/dbraw/zinc/71/49/68/1067714968.db2.gz FEOPRXNJVFYXIT-UHFFFAOYSA-N 0 3 491.702 3.082 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCCCCO)CC1 ZINC001303183273 1067715825 /nfs/dbraw/zinc/71/58/25/1067715825.db2.gz BQNWDJUECXCOLV-UHFFFAOYSA-N 0 3 453.429 3.366 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[C@@](C)(O)c2ccccc2)CC1 ZINC001303183642 1067716479 /nfs/dbraw/zinc/71/64/79/1067716479.db2.gz FSDCMTKJRRYYIM-KAYWLYCHSA-N 0 3 485.673 3.395 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CC[C@@H](F)C2)CC1 ZINC001303183639 1067716547 /nfs/dbraw/zinc/71/65/47/1067716547.db2.gz FRVHXIOYYZOVSS-UYAOXDASSA-N 0 3 463.623 3.265 20 0 JGADHN Cc1nc(Cc2nnc(N(C)C[C@@H](C)c3nccs3)n2CCN2CCN(C)C(C)(C)C2)cs1 ZINC001304650933 1067718593 /nfs/dbraw/zinc/71/85/93/1067718593.db2.gz MHEUQQBXOGPFSS-QGZVFWFLSA-N 0 3 488.731 3.356 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(=O)NCc2ccco2)CC1 ZINC001303185049 1067719243 /nfs/dbraw/zinc/71/92/43/1067719243.db2.gz ZFQHHFFDRUYFDN-UHFFFAOYSA-N 0 3 456.978 3.286 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2ccsc2)CC1 ZINC001303185333 1067720295 /nfs/dbraw/zinc/72/02/95/1067720295.db2.gz ZAEXUUHKKJTUQH-UHFFFAOYSA-N 0 3 473.668 3.431 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3cnn(C)c3)n2CCCc2ccnc(C(C)(C)C)n2)CC1 ZINC001303188776 1067723128 /nfs/dbraw/zinc/72/31/28/1067723128.db2.gz IIBILSYSMUSHME-UHFFFAOYSA-N 0 3 465.650 3.177 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3cnn(C)c3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001303190300 1067724532 /nfs/dbraw/zinc/72/45/32/1067724532.db2.gz VULGCJBIFBMWBW-UHFFFAOYSA-N 0 3 484.649 3.024 20 0 JGADHN Cc1nc(Cc2nnc(N(C)CCCS(C)(=O)=O)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)cs1 ZINC001304656224 1067724749 /nfs/dbraw/zinc/72/47/49/1067724749.db2.gz IIFCUOZZLBXILN-HTAPYJJXSA-N 0 3 482.720 3.015 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC001303191429 1067725359 /nfs/dbraw/zinc/72/53/59/1067725359.db2.gz AXIKWVDLCNVINI-JOCHJYFZSA-N 0 3 454.619 3.048 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001303191844 1067725999 /nfs/dbraw/zinc/72/59/99/1067725999.db2.gz IVDDCPNCMIIADG-LEWJYISDSA-N 0 3 476.666 3.207 20 0 JGADHN CC(C)CN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 ZINC001303195287 1067728422 /nfs/dbraw/zinc/72/84/22/1067728422.db2.gz FMHGUAYXZPCWIM-FQEVSTJZSA-N 0 3 471.650 3.203 20 0 JGADHN CC(C)CN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN(C)CC(F)(F)F)CC1 ZINC001303195925 1067728988 /nfs/dbraw/zinc/72/89/88/1067728988.db2.gz FPBQVNSMXBJOBY-UHFFFAOYSA-N 0 3 456.532 3.280 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@H]2C[C@H]2C)CC1 ZINC001303195907 1067729137 /nfs/dbraw/zinc/72/91/37/1067729137.db2.gz FLIDBJFJVUYSAO-AQNXPRMDSA-N 0 3 462.639 3.021 20 0 JGADHN CC(C)CN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccccc2Cl)N(C)C)CC1 ZINC001303196070 1067729411 /nfs/dbraw/zinc/72/94/11/1067729411.db2.gz OUQIBSGGWGESEV-QFIPXVFZSA-N 0 3 488.080 3.135 20 0 JGADHN CC(C)CN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccccc2Cl)N(C)C)CC1 ZINC001303196069 1067729498 /nfs/dbraw/zinc/72/94/98/1067729498.db2.gz OUQIBSGGWGESEV-JOCHJYFZSA-N 0 3 488.080 3.135 20 0 JGADHN CC(C)CN1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(N(C)C)nc2)CC1 ZINC001303199060 1067735081 /nfs/dbraw/zinc/73/50/81/1067735081.db2.gz TVXYPQBGQHKQKC-UHFFFAOYSA-N 0 3 467.593 3.284 20 0 JGADHN CC(C)CN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 ZINC001303199186 1067735373 /nfs/dbraw/zinc/73/53/73/1067735373.db2.gz XPNAFBACWOQMCC-DENIHFKCSA-N 0 3 474.675 3.109 20 0 JGADHN Cc1nc(Cc2nnc(N3CCN(CCC(C)(C)C)CC3)n2CCCN2CCOC2=O)cs1 ZINC001304673887 1067743814 /nfs/dbraw/zinc/74/38/14/1067743814.db2.gz FIBYBSDDVCPLPV-UHFFFAOYSA-N 0 3 475.663 3.034 20 0 JGADHN Cc1nc(Cc2nnc(N3CCN(CC(C)C)CC3)n2CCN(C)C(=O)OC(C)(C)C)cs1 ZINC001304673902 1067743959 /nfs/dbraw/zinc/74/39/59/1067743959.db2.gz FTHWIRGXBYCEKA-UHFFFAOYSA-N 0 3 477.679 3.279 20 0 JGADHN CC(C)CN1CCO[C@H](Cn2c(N3CCN(CCOc4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001303208731 1067747025 /nfs/dbraw/zinc/74/70/25/1067747025.db2.gz YDHIRANHAHEFLI-DEOSSOPVSA-N 0 3 484.689 3.133 20 0 JGADHN Cc1nc(Cc2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2CCN(C)Cc2ccc(F)cc2)cs1 ZINC001304677015 1067748934 /nfs/dbraw/zinc/74/89/34/1067748934.db2.gz NQKASPFTTIFLRT-IERDGZPVSA-N 0 3 458.607 3.112 20 0 JGADHN CC(C)CO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001303226625 1067762566 /nfs/dbraw/zinc/76/25/66/1067762566.db2.gz NRJGPLVUSLJTNG-HXUWFJFHSA-N 0 3 476.069 3.271 20 0 JGADHN CC(C)CSCCCn1c(-c2cnn(C)c2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001303241242 1067770512 /nfs/dbraw/zinc/77/05/12/1067770512.db2.gz HXNPHASTTCCTCF-UHFFFAOYSA-N 0 3 461.680 3.007 20 0 JGADHN Cc1nccc(N2CCN(c3nnc(CC(C)C)n3C[C@H](c3ccc(F)cc3)N(C)C)CC2)n1 ZINC001304701514 1067772728 /nfs/dbraw/zinc/77/27/28/1067772728.db2.gz GRBWTUXPCPCVNQ-JOCHJYFZSA-N 0 3 466.609 3.344 20 0 JGADHN Cc1nccn1CCn1c(C2CCCC2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 ZINC001304710593 1067781424 /nfs/dbraw/zinc/78/14/24/1067781424.db2.gz LBLVZNDBSOJDLJ-UHFFFAOYSA-N 0 3 469.556 3.232 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N(C)[C@H]3CCC[C@@H](C)C3)n2CCN2CCN(C)C(C)(C)C2)n1 ZINC001304741430 1067817233 /nfs/dbraw/zinc/81/72/33/1067817233.db2.gz VXEVESKKAHANAP-KNQAVFIVSA-N 0 3 456.683 3.181 20 0 JGADHN CC(C)N(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1(c2ccccc2)CC1)C(C)C ZINC001303297314 1067821365 /nfs/dbraw/zinc/82/13/65/1067821365.db2.gz BBVDLWXACVWZTC-OAQYLSRUSA-N 0 3 473.687 3.467 20 0 JGADHN CC(C)[NH+](CCn1c(CC2CC2)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1)C(C)C ZINC001303298003 1067822289 /nfs/dbraw/zinc/82/22/89/1067822289.db2.gz ZFXFUXPQNNEKBK-UHFFFAOYSA-N 0 3 454.619 3.017 20 0 JGADHN CC(C)N1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC(F)(F)F)CC2CC2)C1 ZINC001303303856 1067829656 /nfs/dbraw/zinc/82/96/56/1067829656.db2.gz JUMUAGVASGSELF-RBUKOAKNSA-N 0 3 491.624 3.469 20 0 JGADHN CC(C)N1CCC[C@@H](Cn2c(CC3CCCC3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001303303937 1067829779 /nfs/dbraw/zinc/82/97/79/1067829779.db2.gz AYFOWQVXQRLUQY-NHCUHLMSSA-N 0 3 451.681 3.145 20 0 JGADHN CC(C)N1CCC[C@H](Cn2c(COc3ccc(Cl)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001303304113 1067830759 /nfs/dbraw/zinc/83/07/59/1067830759.db2.gz CFPYRRQUSWKWHS-ICSRJNTNSA-N 0 3 496.077 3.254 20 0 JGADHN CC(C)N1CCC[C@@H](Cn2c(COc3ccc(Cl)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001303304115 1067830781 /nfs/dbraw/zinc/83/07/81/1067830781.db2.gz CFPYRRQUSWKWHS-UYAOXDASSA-N 0 3 496.077 3.254 20 0 JGADHN CC(C)N1CCC[C@H](Cn2c(-c3ccccc3F)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)C1 ZINC001303304568 1067831904 /nfs/dbraw/zinc/83/19/04/1067831904.db2.gz OCAFSCBOWSZGFC-QYZOEREBSA-N 0 3 465.639 3.462 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N3CCN(C(C)(C)C)CC3)n2Cc2cc(COC(C)(C)C)on2)n1 ZINC001304760530 1067846742 /nfs/dbraw/zinc/84/67/42/1067846742.db2.gz REWZWLMLMYEAKT-UHFFFAOYSA-N 0 3 484.649 3.412 20 0 JGADHN CC(C)N1CCN([C@@H]2CCN(c3nnc([C@H]4CCCOC4)n3CC(C)(C)C(F)(F)F)C2)CC1 ZINC001303318571 1067850082 /nfs/dbraw/zinc/85/00/82/1067850082.db2.gz VANSLBWHDZVGNB-RBUKOAKNSA-N 0 3 472.600 3.365 20 0 JGADHN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(Cl)c(F)c2)n1C[C@]1(N(C)C)CCSC1 ZINC001303329594 1067858244 /nfs/dbraw/zinc/85/82/44/1067858244.db2.gz GQIHNASASGFJPY-OAQYLSRUSA-N 0 3 469.030 3.283 20 0 JGADHN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(F)c(Cl)c2)n1C[C@@]1(N(C)C)CCSC1 ZINC001303330325 1067859582 /nfs/dbraw/zinc/85/95/82/1067859582.db2.gz SQFVMHBTQTVJFT-NRFANRHFSA-N 0 3 469.030 3.283 20 0 JGADHN CC(C)NC(=O)c1nnc(N(C)Cc2ccoc2)n1CC1(N2CCSCC2)CCCCC1 ZINC001303335825 1067865102 /nfs/dbraw/zinc/86/51/02/1067865102.db2.gz YLNZDNZRJIZTQD-UHFFFAOYSA-N 0 3 460.648 3.397 20 0 JGADHN CC(C)NC(=O)c1nnc(N(Cc2cccc(F)c2)C(C)C)n1C[C@]1(N(C)C)CCSC1 ZINC001303343222 1067871513 /nfs/dbraw/zinc/87/15/13/1067871513.db2.gz HZLVERMBKFIVFF-HSZRJFAPSA-N 0 3 462.639 3.408 20 0 JGADHN Cc1cccc(N2CCN(CCC(=O)N[C@@H](c3nccn3C)c3ccc(F)c(F)c3)CC2)c1 ZINC001304784078 1067879189 /nfs/dbraw/zinc/87/91/89/1067879189.db2.gz PPSGEJAKZBPMQY-XMMPIXPASA-N 0 3 453.537 3.425 20 0 JGADHN Cc1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001304812624 1067888539 /nfs/dbraw/zinc/88/85/39/1067888539.db2.gz ZUTMSPXFWRQTIM-AJSBUHFISA-N 0 3 484.645 3.227 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCC(c3ccccc3CO)CC2)n1C[C@@H]1N(C)CCCC1(C)C ZINC001303365507 1067892758 /nfs/dbraw/zinc/89/27/58/1067892758.db2.gz PUSVSRUXUNGAFD-QHCPKHFHSA-N 0 3 482.673 3.413 20 0 JGADHN Cc1nnc(N2CCN(C(=O)c3ccccc3[O-])CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304849107 1067902864 /nfs/dbraw/zinc/90/28/64/1067902864.db2.gz NHTAEOJCCCDHNX-KDURUIRLSA-N 0 3 454.619 3.011 20 0 JGADHN Cc1nnc(N2CCN(C(=O)c3ccccc3[O-])CC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001304849107 1067902867 /nfs/dbraw/zinc/90/28/67/1067902867.db2.gz NHTAEOJCCCDHNX-KDURUIRLSA-N 0 3 454.619 3.011 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CC[C@@]3(CCSC3)C2)n1C[C@H](C)N(C)Cc1ccccc1 ZINC001303378651 1067908251 /nfs/dbraw/zinc/90/82/51/1067908251.db2.gz INCYVMBNCJPHTQ-YADARESESA-N 0 3 456.660 3.270 20 0 JGADHN Cc1nnc(N2CCN(CCN(C)Cc3ccccc3)CC2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC001304860934 1067910026 /nfs/dbraw/zinc/91/00/26/1067910026.db2.gz PEPOGVAZPWLWGI-JOCHJYFZSA-N 0 3 499.704 3.344 20 0 JGADHN Cc1noc(C)c1[C@H](C)Cn1c(CC(C)C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001304880856 1067925670 /nfs/dbraw/zinc/92/56/70/1067925670.db2.gz ZNDUVOOYXMGODL-DENIHFKCSA-N 0 3 457.667 3.490 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H](c1ccco1)N1CCCCC1 ZINC001303402508 1067930781 /nfs/dbraw/zinc/93/07/81/1067930781.db2.gz LVINCLZMGQQXCH-FQEVSTJZSA-N 0 3 471.650 3.157 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1CCCCN(C)c1ccccc1 ZINC001303403469 1067932218 /nfs/dbraw/zinc/93/22/18/1067932218.db2.gz VVBFSOJFJRQWMG-UHFFFAOYSA-N 0 3 455.651 3.253 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1Cc1cccc(C(F)F)c1 ZINC001303405494 1067933786 /nfs/dbraw/zinc/93/37/86/1067933786.db2.gz WBGDFJBOIBCQTR-KRWDZBQOSA-N 0 3 476.572 3.092 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1Cc1ccc(C(F)(F)F)cc1 ZINC001303405435 1067933813 /nfs/dbraw/zinc/93/38/13/1067933813.db2.gz TZVWIOIDKIEBKK-QGZVFWFLSA-N 0 3 494.562 3.173 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1Cc1cccc2c1OCCCO2 ZINC001303408932 1067935715 /nfs/dbraw/zinc/93/57/15/1067935715.db2.gz ARZCJDDXEIKTOR-UHFFFAOYSA-N 0 3 484.645 3.184 20 0 JGADHN Cc1cc(CN2CCN(c3nnc(C(C)C)n3C[C@H](c3cccc(F)c3)N(C)C)CC2)on1 ZINC001304899283 1067943209 /nfs/dbraw/zinc/94/32/09/1067943209.db2.gz BWZVKNDBEBVNLC-JOCHJYFZSA-N 0 3 455.582 3.462 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCO[C@H](c3ccc(F)cc3F)C2)n1CCN1CCCC(C)(C)C1 ZINC001303416045 1067943764 /nfs/dbraw/zinc/94/37/64/1067943764.db2.gz ZSSXIGKQZDBYIT-NRFANRHFSA-N 0 3 490.599 3.394 20 0 JGADHN C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccccc2F)n1C[C@H](c1cccs1)N(C)C ZINC001304907127 1067950585 /nfs/dbraw/zinc/95/05/85/1067950585.db2.gz OMNBXRZMMRNDTE-SJLPKXTDSA-N 0 3 472.590 3.028 20 0 JGADHN C[C@@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001304907566 1067950956 /nfs/dbraw/zinc/95/09/56/1067950956.db2.gz RJNCPUKRRGDATG-HLRQEUIKSA-N 0 3 486.636 3.306 20 0 JGADHN C[C@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001304907568 1067951227 /nfs/dbraw/zinc/95/12/27/1067951227.db2.gz RJNCPUKRRGDATG-ZHNGQKSSSA-N 0 3 486.636 3.306 20 0 JGADHN C[C@@H]1C[C@@H](C)CN(C(C)(C)Cn2c(C3CCCC3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001304911108 1067954476 /nfs/dbraw/zinc/95/44/76/1067954476.db2.gz KNDLHLXBXFSVOV-GGPKGHCWSA-N 0 3 451.681 3.316 20 0 JGADHN C[C@H]1C(=O)N(C)CCN1c1nnc(Cc2ccc(F)cc2)n1C[C@@H](c1cccs1)N(C)C ZINC001304911595 1067955343 /nfs/dbraw/zinc/95/53/43/1067955343.db2.gz MIHHUPAUQYNDML-LPHOPBHVSA-N 0 3 456.591 3.039 20 0 JGADHN C[C@@H]1C[C@@H](C)CN(CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001304924812 1067967771 /nfs/dbraw/zinc/96/77/71/1067967771.db2.gz AEPALCWVNVIILB-XRXFAXGQSA-N 0 3 483.723 3.046 20 0 JGADHN CC(C)NC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001303448588 1067970231 /nfs/dbraw/zinc/97/02/31/1067970231.db2.gz WEHGFWDDVSPLSV-UHFFFAOYSA-N 0 3 495.455 3.325 20 0 JGADHN C[C@@H]1C[C@H](CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCN(C(C)(C)C)CC2)CCO1 ZINC001304933490 1067982372 /nfs/dbraw/zinc/98/23/72/1067982372.db2.gz SQMKLSODUAZKEX-WOJBJXKFSA-N 0 3 489.686 3.474 20 0 JGADHN C[C@@H]1CC(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCN(C(C)(C)C)CC2)C[C@@H](C)O1 ZINC001304936058 1067984781 /nfs/dbraw/zinc/98/47/81/1067984781.db2.gz UEXQIWWNJWRBAY-RTBURBONSA-N 0 3 489.686 3.473 20 0 JGADHN CC(C)O[C@]1(c2nnc(N(C)CC3CCOCC3)n2C[C@@H](c2ccccc2)N(C)C)CCOC1 ZINC001303484297 1068006996 /nfs/dbraw/zinc/00/69/96/1068006996.db2.gz OQIDMWHHNDQPOW-JYFHCDHNSA-N 0 3 471.646 3.484 20 0 JGADHN CC1CCC(N2CCN(c3nnc([C@H]4CCCCO4)n3CCCCCS(C)(=O)=O)CC2)CC1 ZINC001304980419 1068019324 /nfs/dbraw/zinc/01/93/24/1068019324.db2.gz LPMDOAFENSCCKD-LZBANZJXSA-N 0 3 481.707 3.435 20 0 JGADHN CC1CCC(N2CCN(c3nnc(COc4ccccc4F)n3CC(=O)NCC(F)F)CC2)CC1 ZINC001304980443 1068019548 /nfs/dbraw/zinc/01/95/48/1068019548.db2.gz MKLPWMJLHHAZNB-UHFFFAOYSA-N 0 3 494.562 3.078 20 0 JGADHN C[C@@H]1CCC[C@@](Cn2c(CC3CC3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)(N(C)C)C1 ZINC001304983478 1068025735 /nfs/dbraw/zinc/02/57/35/1068025735.db2.gz DYAKSHXKQYPXOT-KKLQWCBXSA-N 0 3 451.681 3.145 20 0 JGADHN CC(C)O[C@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@H]2CSCCS2)CCOC1 ZINC001303501452 1068029952 /nfs/dbraw/zinc/02/99/52/1068029952.db2.gz GQJGMJBXKKJUCH-XMSQKQJNSA-N 0 3 469.721 3.088 20 0 JGADHN CC(C)O[C@]1(c2nnc(N3CCOC(C)(C)C3)n2CCN(C)Cc2ccc(F)cc2)CCOC1 ZINC001303502929 1068033789 /nfs/dbraw/zinc/03/37/89/1068033789.db2.gz BDOXETQMVNYVJW-RUZDIDTESA-N 0 3 475.609 3.205 20 0 JGADHN CC(C)O[C@]1(c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@@H](c2ccccc2)N(C)C)CCOC1 ZINC001303507307 1068041621 /nfs/dbraw/zinc/04/16/21/1068041621.db2.gz UIAVXWLZOHWNHM-SXWKCWPCSA-N 0 3 497.562 3.389 20 0 JGADHN CC(C)O[C@]1(c2nnc(N3CCN(CCC(C)(C)C)CC3)n2C[C@@H]2CCC[C@@H](O)C2)CCOC1 ZINC001303507778 1068042071 /nfs/dbraw/zinc/04/20/71/1068042071.db2.gz YTEZFDHHYFAYDF-XLGIIRLISA-N 0 3 477.694 3.428 20 0 JGADHN C[C@H]1CCCCN1C[C@@H]1CCCN(c2nnc(Cc3ccccc3F)n2CCS(C)(=O)=O)C1 ZINC001305013995 1068055117 /nfs/dbraw/zinc/05/51/17/1068055117.db2.gz OWBQZWJGDONGJU-PMACEKPBSA-N 0 3 477.650 3.143 20 0 JGADHN C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCN1CCCC[C@@H]1C ZINC001305015838 1068058832 /nfs/dbraw/zinc/05/88/32/1068058832.db2.gz FZCJINCMUCHWCJ-PMACEKPBSA-N 0 3 499.685 3.469 20 0 JGADHN CC(C)OC[C@H]1CN(c2nnc(C(C)(C)C)n2C[C@@H]2CN(Cc3ccccc3)CCCO2)CCO1 ZINC001303531957 1068061357 /nfs/dbraw/zinc/06/13/57/1068061357.db2.gz UVPIBOZXKZWJCP-BJKOFHAPSA-N 0 3 485.673 3.497 20 0 JGADHN C[C@H]1CCCCN1CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cnccn1 ZINC001305019756 1068065947 /nfs/dbraw/zinc/06/59/47/1068065947.db2.gz RUXAGDIWEHZEHG-IBGZPJMESA-N 0 3 483.642 3.040 20 0 JGADHN C[C@H](CS(C)(=O)=O)N(C)c1nnc(CC2CCCC2)n1CC(C)(C)N1CCC[C@H](C)C1 ZINC001305021297 1068069582 /nfs/dbraw/zinc/06/95/82/1068069582.db2.gz ULFKOYFEDAPCEY-RBUKOAKNSA-N 0 3 453.697 3.391 20 0 JGADHN C[C@H]1CCCCN1CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001305021597 1068069867 /nfs/dbraw/zinc/06/98/67/1068069867.db2.gz YEXWEWDKOPWERB-FXAWDEMLSA-N 0 3 497.612 3.434 20 0 JGADHN C[C@@H]1CCCCN1CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001305021599 1068070030 /nfs/dbraw/zinc/07/00/30/1068070030.db2.gz YEXWEWDKOPWERB-XLIONFOSSA-N 0 3 497.612 3.434 20 0 JGADHN C[C@H]1CCCCN1CCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H]1CCCO1 ZINC001305021131 1068070116 /nfs/dbraw/zinc/07/01/16/1068070116.db2.gz WSHPNNGNUNFSES-PZJWPPBQSA-N 0 3 475.659 3.228 20 0 JGADHN C[C@H](CS(C)(=O)=O)N(C)c1nnc(CC2CCCC2)n1CC(C)(C)N1CCC[C@@H](C)C1 ZINC001305021298 1068070577 /nfs/dbraw/zinc/07/05/77/1068070577.db2.gz ULFKOYFEDAPCEY-RTBURBONSA-N 0 3 453.697 3.391 20 0 JGADHN CC(C)c1nnc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001305023742 1068077410 /nfs/dbraw/zinc/07/74/10/1068077410.db2.gz IWOVXKXSUFJGPL-VQTJNVASSA-N 0 3 454.619 3.190 20 0 JGADHN CC(C)c1nnc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)n1C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001305023742 1068077426 /nfs/dbraw/zinc/07/74/26/1068077426.db2.gz IWOVXKXSUFJGPL-VQTJNVASSA-N 0 3 454.619 3.190 20 0 JGADHN CC(C)OCCN1CCN(c2nnc(-c3ccccn3)n2C[C@@H](c2cccs2)N(C)C)CC1 ZINC001303570713 1068094833 /nfs/dbraw/zinc/09/48/33/1068094833.db2.gz WGEGNDYSBBAZGI-NRFANRHFSA-N 0 3 469.659 3.252 20 0 JGADHN CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)n1CCN1CCC[C@@H](C)C1 ZINC001305044262 1068100747 /nfs/dbraw/zinc/10/07/47/1068100747.db2.gz YRKSHPUXYGAPEL-YEPRJOMISA-N 0 3 474.675 3.083 20 0 JGADHN C[C@H](c1ccc(F)cc1)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCC1 ZINC001303590758 1068111169 /nfs/dbraw/zinc/11/11/69/1068111169.db2.gz DTZXEBDMNPGDHG-MJGOQNOKSA-N 0 3 463.623 3.391 20 0 JGADHN C[C@@H](c1ccc(F)c(F)c1)N(C)c1nnc(-c2cnccn2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001303593766 1068114288 /nfs/dbraw/zinc/11/42/88/1068114288.db2.gz MFHYDFOXKNXCHA-HTAPYJJXSA-N 0 3 498.582 3.153 20 0 JGADHN C[C@H](c1ccc(F)c(F)c1)N(C)c1nnc([C@H]2CCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001303594693 1068114945 /nfs/dbraw/zinc/11/49/45/1068114945.db2.gz PYFQINAZYRCSPC-ZWCUEREDSA-N 0 3 490.599 3.200 20 0 JGADHN C[C@@H]1CCCN1CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 ZINC001305057858 1068119917 /nfs/dbraw/zinc/11/99/17/1068119917.db2.gz DMCPTTKYGYSIIV-OAHLLOKOSA-N 0 3 473.503 3.463 20 0 JGADHN C[C@H]1CCCN1CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cccc(Br)c1 ZINC001305059407 1068122831 /nfs/dbraw/zinc/12/28/31/1068122831.db2.gz MFWOQNNHVLMDJX-KRWDZBQOSA-N 0 3 475.435 3.397 20 0 JGADHN C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(F)(F)F)CC1)N1CCC(C)CC1 ZINC001305062631 1068130598 /nfs/dbraw/zinc/13/05/98/1068130598.db2.gz DCTFJSUBKMQKAD-KRWDZBQOSA-N 0 3 456.557 3.413 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCO[C@H](c3ccccc3F)C2)n1C[C@@H](C)N1CCC(C)CC1 ZINC001305063360 1068132158 /nfs/dbraw/zinc/13/21/58/1068132158.db2.gz HQGWTNFSOJXKKA-KNQAVFIVSA-N 0 3 472.609 3.254 20 0 JGADHN CN(Cc1nnc2n1C[C@H](C(F)(F)F)CC2)C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001303614534 1068148765 /nfs/dbraw/zinc/14/87/65/1068148765.db2.gz PSZHARBSXIZXAH-DLBZAZTESA-N 0 3 453.484 3.413 20 0 JGADHN CC1CCN(CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)OC2CCCC2)CC1 ZINC001305102016 1068167945 /nfs/dbraw/zinc/16/79/45/1068167945.db2.gz MBJTYAVAUUIKAE-LJQANCHMSA-N 0 3 453.653 3.003 20 0 JGADHN C[C@@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC001305105402 1068173223 /nfs/dbraw/zinc/17/32/23/1068173223.db2.gz FBLAKITYFMCFDA-NQIIRXRSSA-N 0 3 475.037 3.299 20 0 JGADHN CC1CCN(CCCn2c(-c3ccccc3Cl)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001305106226 1068174125 /nfs/dbraw/zinc/17/41/25/1068174125.db2.gz RPUOKINKZDRXLW-UHFFFAOYSA-N 0 3 454.040 3.201 20 0 JGADHN CC(C)NC(=O)c1nnc(N(C)[C@H](C)c2ccc([S@](C)=O)cc2)n1CCN1CCC(C)CC1 ZINC001305106998 1068175801 /nfs/dbraw/zinc/17/58/01/1068175801.db2.gz MAGGGHTYHYZHCM-ASPBEGMCSA-N 0 3 474.675 3.083 20 0 JGADHN C[C@H](CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCS(C)(=O)=O)N1CCCCC1 ZINC001303664138 1068196156 /nfs/dbraw/zinc/19/61/56/1068196156.db2.gz IWPCUCRCNOGHCG-LJQANCHMSA-N 0 3 472.659 3.182 20 0 JGADHN C[C@@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOc1ccccc1F)N1CCCCC1 ZINC001303667074 1068201405 /nfs/dbraw/zinc/20/14/05/1068201405.db2.gz FVTXCZJQAXXCGV-VQTJNVASSA-N 0 3 493.649 3.099 20 0 JGADHN C[C@H](CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(N(C)C)CCSC1)c1nccs1 ZINC001303676535 1068215466 /nfs/dbraw/zinc/21/54/66/1068215466.db2.gz ZBAKUKHPXCGPOV-OPAMFIHVSA-N 0 3 486.671 3.059 20 0 JGADHN C[C@H]1CN(c2nnc(-c3ccccc3F)n2CCN2CCN(C)C(C)(C)C2)CCN1CC(F)(F)F ZINC001305152696 1068259312 /nfs/dbraw/zinc/25/93/12/1068259312.db2.gz SNKDVBWUJAIZNC-SFHVURJKSA-N 0 3 497.585 3.183 20 0 JGADHN C[C@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)N(C)C ZINC001303721874 1068271225 /nfs/dbraw/zinc/27/12/25/1068271225.db2.gz IQUKQPHAPPKRQV-RDTXWAMCSA-N 0 3 467.492 3.089 20 0 JGADHN C[C@H](Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1C(=O)NCc1ccc(Cl)cc1)N(C)C ZINC001303743048 1068302087 /nfs/dbraw/zinc/30/20/87/1068302087.db2.gz LHMIFJFRLKZELW-DYVFJYSZSA-N 0 3 478.935 3.332 20 0 JGADHN C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)N1CCc2ccccc2C1 ZINC001303744970 1068305480 /nfs/dbraw/zinc/30/54/80/1068305480.db2.gz VRCBGYKNKJEANE-JDCWHPJTSA-N 0 3 482.673 3.344 20 0 JGADHN C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)N1CCc2ccccc2C1 ZINC001303744974 1068305535 /nfs/dbraw/zinc/30/55/35/1068305535.db2.gz VRCBGYKNKJEANE-OMXLDXBASA-N 0 3 482.673 3.344 20 0 JGADHN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(C2CCC2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001303766717 1068338465 /nfs/dbraw/zinc/33/84/65/1068338465.db2.gz VNEYBNMNFPZUCW-GOSISDBHSA-N 0 3 462.639 3.007 20 0 JGADHN C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CC1(N(C)C)CCCC1 ZINC001303770794 1068345547 /nfs/dbraw/zinc/34/55/47/1068345547.db2.gz CSPNNZPMBXTKPE-OAHLLOKOSA-N 0 3 472.030 3.481 20 0 JGADHN C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(Cl)cc2F)n1CC1(N(C)C)CCCC1 ZINC001303770793 1068345622 /nfs/dbraw/zinc/34/56/22/1068345622.db2.gz CSPNNZPMBXTKPE-HNNXBMFYSA-N 0 3 472.030 3.481 20 0 JGADHN C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCN2CCN(C)C(C)(C)C2)CC(C)(C)O1 ZINC001305214436 1068347664 /nfs/dbraw/zinc/34/76/64/1068347664.db2.gz FBZGOMMJINGOAI-IBGZPJMESA-N 0 3 474.625 3.026 20 0 JGADHN C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CCN1CCCCCC1 ZINC001303772691 1068350732 /nfs/dbraw/zinc/35/07/32/1068350732.db2.gz BNRZENCDHMADNB-SFHVURJKSA-N 0 3 458.632 3.172 20 0 JGADHN C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CCN1CCCCCC1 ZINC001303772690 1068350866 /nfs/dbraw/zinc/35/08/66/1068350866.db2.gz BNRZENCDHMADNB-GOSISDBHSA-N 0 3 458.632 3.172 20 0 JGADHN C[C@@H](COCc1ccccc1)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(C)(C)C)CC1 ZINC001303775038 1068353494 /nfs/dbraw/zinc/35/34/94/1068353494.db2.gz XZXNHHPBOACHLY-OAQYLSRUSA-N 0 3 468.646 3.174 20 0 JGADHN C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccccc2Br)n1CC1(N(C)C)CCCC1 ZINC001303775277 1068353795 /nfs/dbraw/zinc/35/37/95/1068353795.db2.gz UQVMISFUCRXNTC-MRXNPFEDSA-N 0 3 498.491 3.451 20 0 JGADHN CC(C)N1CCN(c2nnc(CCc3ccccc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001305224599 1068366792 /nfs/dbraw/zinc/36/67/92/1068366792.db2.gz YBOZSJPOXWZRLP-DHIUTWEWSA-N 0 3 454.663 3.093 20 0 JGADHN C[C@H]1COCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C1CCCCC1)N(C)C ZINC001305231545 1068377525 /nfs/dbraw/zinc/37/75/25/1068377525.db2.gz WMYGUIVGCFERSI-PGRDOPGGSA-N 0 3 475.659 3.084 20 0 JGADHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCN2CC=CCC2)C1 ZINC001303794456 1068379616 /nfs/dbraw/zinc/37/96/16/1068379616.db2.gz BPJJMMILPUPDKR-HBMCJLEFSA-N 0 3 474.650 3.174 20 0 JGADHN C[C@H]1N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN(C)C2CCCC2)CCOC1(C)C ZINC001305240076 1068389787 /nfs/dbraw/zinc/38/97/87/1068389787.db2.gz MLSFXBOQCPPELR-GOSISDBHSA-N 0 3 475.659 3.227 20 0 JGADHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCN2CC=CCC2)C1 ZINC001303799080 1068391832 /nfs/dbraw/zinc/39/18/32/1068391832.db2.gz RXRZKJUHLRDEJE-LEWJYISDSA-N 0 3 481.645 3.265 20 0 JGADHN C[C@@H]1N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(N(C)C)CCCC2)CCOC1(C)C ZINC001305242667 1068393774 /nfs/dbraw/zinc/39/37/74/1068393774.db2.gz YTJZKOVZAWBMLY-SFHVURJKSA-N 0 3 475.659 3.227 20 0 JGADHN C[C@H]1N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(N(C)C)CCCC2)CCOC1(C)C ZINC001305242664 1068394023 /nfs/dbraw/zinc/39/40/23/1068394023.db2.gz YTJZKOVZAWBMLY-GOSISDBHSA-N 0 3 475.659 3.227 20 0 JGADHN C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(C)(C)C)CC1 ZINC001305246127 1068399456 /nfs/dbraw/zinc/39/94/56/1068399456.db2.gz QSSZVICCBHSADA-OYHNWAKOSA-N 0 3 451.974 3.198 20 0 JGADHN C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCCCC1)N1CCc2ccccc2C1 ZINC001303805500 1068408953 /nfs/dbraw/zinc/40/89/53/1068408953.db2.gz DMPWJOYRBNVULK-RTBURBONSA-N 0 3 474.675 3.104 20 0 JGADHN CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@H](c2ccccc2)N(C)C)C1 ZINC001305268570 1068457952 /nfs/dbraw/zinc/45/79/52/1068457952.db2.gz PKFXVJNMTDQPBZ-DHIUTWEWSA-N 0 3 461.614 3.062 20 0 JGADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)C3(CCC3)C2)n1C[C@H](c1cccs1)N(C)C ZINC001303832769 1068459997 /nfs/dbraw/zinc/45/99/97/1068459997.db2.gz ZXZCHDGNINMHRX-OKZBNKHCSA-N 0 3 480.704 3.269 20 0 JGADHN CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@H](c2ccc(F)cc2)N(C)C)C1 ZINC001305271002 1068467327 /nfs/dbraw/zinc/46/73/27/1068467327.db2.gz YRLGFYCCOYIQRM-FGZHOGPDSA-N 0 3 465.577 3.277 20 0 JGADHN CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2ccc(CC)cc2)N(C)C)C1 ZINC001305278117 1068479543 /nfs/dbraw/zinc/47/95/43/1068479543.db2.gz OHWZULCMLNXGKT-DNVJHFABSA-N 0 3 468.646 3.490 20 0 JGADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]2c2ccco2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001303851398 1068489090 /nfs/dbraw/zinc/48/90/90/1068489090.db2.gz FPPJDSUGAIFVBF-VDGAXYAQSA-N 0 3 490.605 3.265 20 0 JGADHN CC[C@@](C)(O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C2CCCCC2)CC1 ZINC001305288244 1068490809 /nfs/dbraw/zinc/49/08/09/1068490809.db2.gz MIUGYJGATNXTME-RUZDIDTESA-N 0 3 489.064 3.477 20 0 JGADHN CC[C@](C)(O)Cn1c(-c2ccccc2Br)nnc1N1CCN(C2CCOCC2)CC1 ZINC001305299311 1068508014 /nfs/dbraw/zinc/50/80/14/1068508014.db2.gz KJNKYIGXJNFFCV-QFIPXVFZSA-N 0 3 478.435 3.170 20 0 JGADHN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C(C)(C)C)CC2)n1CC(=O)NCC1CC1 ZINC001303896932 1068537043 /nfs/dbraw/zinc/53/70/43/1068537043.db2.gz DPFVQHBNNOZLBX-KRWDZBQOSA-N 0 3 458.582 3.004 20 0 JGADHN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1CCN(C)C1CCCC1 ZINC001303898295 1068539859 /nfs/dbraw/zinc/53/98/59/1068539859.db2.gz NMGLQEIBWDWRED-AVRDEDQJSA-N 0 3 493.649 3.445 20 0 JGADHN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C(C)(C)C)CC2)n1CC1(O)CCOCC1 ZINC001303899932 1068542582 /nfs/dbraw/zinc/54/25/82/1068542582.db2.gz XGUCLEOKXQAAMN-GOSISDBHSA-N 0 3 461.582 3.019 20 0 JGADHN CC[C@@H](C)[C@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001305327313 1068550864 /nfs/dbraw/zinc/55/08/64/1068550864.db2.gz NPFXPFHPGAZYLT-KBMIEXCESA-N 0 3 489.064 3.140 20 0 JGADHN CC[C@@H](C)[C@](C)(O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(C)C)CC1 ZINC001305329271 1068553742 /nfs/dbraw/zinc/55/37/42/1068553742.db2.gz OJXWOFJHIXPDCU-QFQXNSOFSA-N 0 3 484.693 3.027 20 0 JGADHN CC[C@@H](C)[C@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001305334342 1068564952 /nfs/dbraw/zinc/56/49/52/1068564952.db2.gz LLBGSZWPGJHUOK-KBMIEXCESA-N 0 3 459.683 3.495 20 0 JGADHN CC[C@@H](C)[C@@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001305336898 1068568947 /nfs/dbraw/zinc/56/89/47/1068568947.db2.gz BZRLPMZGYMPUKU-KYTVRQNUSA-N 0 3 489.636 3.483 20 0 JGADHN C[C@@H](Oc1ccccc1F)c1nnc(N2CCC(CN3CCOCC3)CC2)n1CCC(C)(C)O ZINC001303922787 1068574715 /nfs/dbraw/zinc/57/47/15/1068574715.db2.gz AUYFPYPSFFJGGB-LJQANCHMSA-N 0 3 475.609 3.267 20 0 JGADHN C[C@H](Oc1ccccc1F)c1nnc(N2CCC(CN3CCOCC3)CC2)n1CCC(C)(C)O ZINC001303922785 1068574973 /nfs/dbraw/zinc/57/49/73/1068574973.db2.gz AUYFPYPSFFJGGB-IBGZPJMESA-N 0 3 475.609 3.267 20 0 JGADHN C[C@H](Oc1ccccc1F)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1CCCN1CCCC[C@H]1C ZINC001303923647 1068577499 /nfs/dbraw/zinc/57/74/99/1068577499.db2.gz HJELBIBQNWKIIT-HSALFYBXSA-N 0 3 493.649 3.445 20 0 JGADHN CC[C@H](C)[C@](C)(O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001305343602 1068580795 /nfs/dbraw/zinc/58/07/95/1068580795.db2.gz WDHWARVLAQVTQE-VVZHRXSXSA-N 0 3 471.646 3.121 20 0 JGADHN C[C@@H](Oc1ccccc1F)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1Cc1cnnn1C ZINC001303931566 1068588377 /nfs/dbraw/zinc/58/83/77/1068588377.db2.gz FYDTWYXCINDGQU-GOSISDBHSA-N 0 3 470.597 3.292 20 0 JGADHN C[C@H](Oc1ccccc1F)c1nnc(N2C[C@@H](C)[C@@H](F)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001303938765 1068597599 /nfs/dbraw/zinc/59/75/99/1068597599.db2.gz VTMVALJMPXUHEJ-HBFSDRIKSA-N 0 3 462.589 3.377 20 0 JGADHN CC[C@H](C)c1nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n1CC1(N2CCC(OC)CC2)CCCC1 ZINC001305365096 1068620471 /nfs/dbraw/zinc/62/04/71/1068620471.db2.gz YEGDRHOJCBZWAS-XUVXKRRUSA-N 0 3 483.723 3.473 20 0 JGADHN CC[C@H](C)c1nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n1CC1(N2CCC(OC)CC2)CCCC1 ZINC001305365095 1068620513 /nfs/dbraw/zinc/62/05/13/1068620513.db2.gz YEGDRHOJCBZWAS-UFYCRDLUSA-N 0 3 483.723 3.473 20 0 JGADHN CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)n1CCC1(COC)CCC1 ZINC001305411346 1068650597 /nfs/dbraw/zinc/65/05/97/1068650597.db2.gz KESWARJQFGWCNV-XJUOHMSHSA-N 0 3 474.694 3.377 20 0 JGADHN CC[C@H](C)c1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CC(C)(C)SC ZINC001305413002 1068651994 /nfs/dbraw/zinc/65/19/94/1068651994.db2.gz SKVNRKZKBWDSEE-CMKODMSKSA-N 0 3 450.697 3.312 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001305426114 1068662910 /nfs/dbraw/zinc/66/29/10/1068662910.db2.gz NXJXWQKZRVDFHV-FCHUYYIVSA-N 0 3 496.704 3.376 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305429144 1068668049 /nfs/dbraw/zinc/66/80/49/1068668049.db2.gz GISWQUMYRICZTI-HTAPYJJXSA-N 0 3 474.616 3.347 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CCCN1CCN(CC)CC1 ZINC001305431138 1068669244 /nfs/dbraw/zinc/66/92/44/1068669244.db2.gz MTEDPBLJGQGQJD-XMSQKQJNSA-N 0 3 474.616 3.349 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1C[C@H](c1ccco1)N(CC)CC ZINC001305434507 1068671258 /nfs/dbraw/zinc/67/12/58/1068671258.db2.gz NDSZMAHMTHSNQI-MVIPISOYSA-N 0 3 485.633 3.282 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCC(Cn3nc(C)cc3C)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001305446004 1068681034 /nfs/dbraw/zinc/68/10/34/1068681034.db2.gz TYNJIBKKDONENZ-YKSBVNFPSA-N 0 3 498.720 3.464 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCC(NS(=O)(=O)CC)CC2)n1C[C@H](C)N1CCc2ccccc2C1 ZINC001305453235 1068690143 /nfs/dbraw/zinc/69/01/43/1068690143.db2.gz FINHXRIRFLWDNI-UXHICEINSA-N 0 3 488.702 3.147 20 0 JGADHN CC[C@@H](C)c1nnc(N2CC[C@@H](N3CCN(CC)CC3)C2)n1Cc1nnc(C(C)(C)C)s1 ZINC001305456576 1068697147 /nfs/dbraw/zinc/69/71/47/1068697147.db2.gz GKANPYMVWKKJNU-QZTJIDSGSA-N 0 3 460.696 3.205 20 0 JGADHN CC[C@H](C)c1nnc(N2CC[C@@H](N3CCN(CC)CC3)C2)n1Cc1nnc(C(C)(C)C)s1 ZINC001305456582 1068697343 /nfs/dbraw/zinc/69/73/43/1068697343.db2.gz GKANPYMVWKKJNU-ZWKOTPCHSA-N 0 3 460.696 3.205 20 0 JGADHN CC[C@H](C)c1nnc(N2CC[C@@](O)(c3cccc(F)c3)C2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001305457395 1068698511 /nfs/dbraw/zinc/69/85/11/1068698511.db2.gz HDGMIZVYGFIAFP-SWYRRKHMSA-N 0 3 472.653 3.302 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC(N3CCNC3=O)CC2)n1C[C@H](c1cccc(OC)c1)N(C)C ZINC001305457694 1068699290 /nfs/dbraw/zinc/69/92/90/1068699290.db2.gz KZAUOYLQSUFDRV-PGRDOPGGSA-N 0 3 469.634 3.097 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC[C@H](Oc3ncccc3F)C2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001305481964 1068718748 /nfs/dbraw/zinc/71/87/48/1068718748.db2.gz BAABYYJVIJWGSB-ACRUOGEOSA-N 0 3 473.641 3.400 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001305488217 1068726091 /nfs/dbraw/zinc/72/60/91/1068726091.db2.gz RKOPOJIACGEQLN-IPMKNSEASA-N 0 3 460.589 3.365 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001305497406 1068733629 /nfs/dbraw/zinc/73/36/29/1068733629.db2.gz ZMKFPKBQUHJAIZ-CNNODRBYSA-N 0 3 494.681 3.341 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)c3ccccn3)CC2)n1C[C@@H](c1ccccc1)N(C)C ZINC001305509230 1068748063 /nfs/dbraw/zinc/74/80/63/1068748063.db2.gz FNPBAIAUHCVDIP-OFNKIYASSA-N 0 3 461.614 3.452 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)n1CCN(C)CCOC ZINC001305509755 1068749166 /nfs/dbraw/zinc/74/91/66/1068749166.db2.gz IDIBQUKZXARGOD-KRWDZBQOSA-N 0 3 481.016 3.125 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)n1CCN(C)CCOC ZINC001305509759 1068749240 /nfs/dbraw/zinc/74/92/40/1068749240.db2.gz IDIBQUKZXARGOD-QGZVFWFLSA-N 0 3 481.016 3.125 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1c(F)cc(F)c(F)c1F ZINC001305511548 1068752899 /nfs/dbraw/zinc/75/28/99/1068752899.db2.gz AJAMOVRPEQCMLZ-OAHLLOKOSA-N 0 3 482.526 3.141 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCCOc1cccc(OC)c1 ZINC001305512675 1068755212 /nfs/dbraw/zinc/75/52/12/1068755212.db2.gz HLDMRHNVOPUGPD-REWPJTCUSA-N 0 3 484.645 3.012 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001305513154 1068756753 /nfs/dbraw/zinc/75/67/53/1068756753.db2.gz IKEMEAQFSHVCIZ-BWAGFHJFSA-N 0 3 472.609 3.061 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1ccc(CSC)cc1 ZINC001305514780 1068761203 /nfs/dbraw/zinc/76/12/03/1068761203.db2.gz QCHOWSUNGNBXAL-FQEVSTJZSA-N 0 3 470.687 3.447 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1Cc1ccccc1Br ZINC001305515038 1068761667 /nfs/dbraw/zinc/76/16/67/1068761667.db2.gz RJFVVESVDOOEAS-YLJYHZDGSA-N 0 3 489.462 3.345 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001305520354 1068771945 /nfs/dbraw/zinc/77/19/45/1068771945.db2.gz WPKCCCDVDBBYHE-HFMPRLQTSA-N 0 3 499.679 3.367 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001305520355 1068772006 /nfs/dbraw/zinc/77/20/06/1068772006.db2.gz WPKCCCDVDBBYHE-IMSXRSKXSA-N 0 3 499.679 3.367 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1CCOc1ccc(S(C)(=O)=O)cc1 ZINC001305520798 1068773495 /nfs/dbraw/zinc/77/34/95/1068773495.db2.gz VKTQTYRVQDKECN-SFHVURJKSA-N 0 3 463.648 3.195 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(c3ccc(F)c(OC)c3)CC2)n1CCCN1CCN(CC)CC1 ZINC001305523704 1068776547 /nfs/dbraw/zinc/77/65/47/1068776547.db2.gz BCFJBNDWKPETQF-NRFANRHFSA-N 0 3 487.668 3.294 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C3CCOCC3)CC2)n1CCN(CC)C(=O)OC(C)(C)C ZINC001305529835 1068784781 /nfs/dbraw/zinc/78/47/81/1068784781.db2.gz HGGHVZZZKSAAPH-IBGZPJMESA-N 0 3 464.655 3.350 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(c3ccnc(C)n3)CC2)n1CCN(C)Cc1ccc(F)cc1 ZINC001305530982 1068786310 /nfs/dbraw/zinc/78/63/10/1068786310.db2.gz BOZLBZPKXNGSLJ-LJQANCHMSA-N 0 3 466.609 3.488 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(c3nccc(OC)n3)CC2)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001305532098 1068788550 /nfs/dbraw/zinc/78/85/50/1068788550.db2.gz HUCPUODPHJRALC-NQIIRXRSSA-N 0 3 482.608 3.359 20 0 JGADHN CC[C@H](C)c1nnc(N2CCO[C@H](c3cccc(OC)c3)C2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001305552286 1068830984 /nfs/dbraw/zinc/83/09/84/1068830984.db2.gz CFTSZQJCPKDGSX-HFMPRLQTSA-N 0 3 470.662 3.404 20 0 JGADHN CC[C@H](C)c1nnc(N2CCO[C@@H](c3cccc(OC)c3)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305554844 1068833411 /nfs/dbraw/zinc/83/34/11/1068833411.db2.gz MADKYWVKTQIFDZ-NZQKXSOJSA-N 0 3 470.662 3.404 20 0 JGADHN CC[C@H](C)c1nnc(Nc2cnn([C@@H]3CC3(F)F)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001305574218 1068847096 /nfs/dbraw/zinc/84/70/96/1068847096.db2.gz QTTHDHRXFDSODH-CGTJXYLNSA-N 0 3 464.565 3.255 20 0 JGADHN CC[C@H](C)N(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](O)CC2(CCCC2)C1 ZINC001305605284 1068871257 /nfs/dbraw/zinc/87/12/57/1068871257.db2.gz DNPJWTQRISYSEE-PZJWPPBQSA-N 0 3 489.686 3.210 20 0 JGADHN CC[C@H](C)N(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 ZINC001305605280 1068871338 /nfs/dbraw/zinc/87/13/38/1068871338.db2.gz DNPJWTQRISYSEE-FPOVZHCZSA-N 0 3 489.686 3.210 20 0 JGADHN CC[C@@H](C)N(C)CCn1c(C(=O)NC(C)C)nnc1N1CCC2(Cc3ccccc3C2=O)CC1 ZINC001305607644 1068876542 /nfs/dbraw/zinc/87/65/42/1068876542.db2.gz XUHWGNNWELSJIJ-LJQANCHMSA-N 0 3 466.630 3.172 20 0 JGADHN CC[C@@H](C)N(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(OC(C)C)CC1 ZINC001305608329 1068878935 /nfs/dbraw/zinc/87/89/35/1068878935.db2.gz OVPJYBGCHIRJGD-LJQANCHMSA-N 0 3 477.675 3.473 20 0 JGADHN CC[C@H](C)N(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 ZINC001305610081 1068883887 /nfs/dbraw/zinc/88/38/87/1068883887.db2.gz XYXOFSQXRSMXNK-BWAGFHJFSA-N 0 3 475.659 3.227 20 0 JGADHN CC[C@H](C)N(C)CCn1c(-c2cccc(OC)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001305611345 1068886278 /nfs/dbraw/zinc/88/62/78/1068886278.db2.gz ZHQBYQGUSVGWSV-SFHVURJKSA-N 0 3 463.648 3.088 20 0 JGADHN CC[C@H](C)N(C)CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC001305616140 1068895226 /nfs/dbraw/zinc/89/52/26/1068895226.db2.gz ZMMSOYGFMBXCMI-RCCFBDPRSA-N 0 3 460.648 3.415 20 0 JGADHN CC[C@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1cccc(F)c1)C1CC1 ZINC001305616952 1068897441 /nfs/dbraw/zinc/89/74/41/1068897441.db2.gz JKPDWUOIUKYCPR-PKOBYXMFSA-N 0 3 463.623 3.219 20 0 JGADHN CC[C@H](C)N(C)CCn1c(Cn2ccc3ccccc32)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001305618786 1068902270 /nfs/dbraw/zinc/90/22/70/1068902270.db2.gz GLXIVMOETMFWCR-FQEVSTJZSA-N 0 3 486.686 3.415 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C3Cc4ccccc4C3)CC2)n1CCC(=O)N[C@@H](C)CC ZINC001305625408 1068920221 /nfs/dbraw/zinc/92/02/21/1068920221.db2.gz KSZHITFXFQZPTB-UXHICEINSA-N 0 3 452.647 3.386 20 0 JGADHN CC[C@@H](C)NC(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001305630072 1068934103 /nfs/dbraw/zinc/93/41/03/1068934103.db2.gz WCRASYZYZUFPTA-RTBURBONSA-N 0 3 475.037 3.062 20 0 JGADHN CC[C@H](C)NC(=O)CCn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001305644687 1068970434 /nfs/dbraw/zinc/97/04/34/1068970434.db2.gz ZTYFFIAQDSZFEF-ACRUOGEOSA-N 0 3 456.635 3.389 20 0 JGADHN CC[C@@H](C)NC(=O)CN1CCN(c2nnc(C3CCC3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 ZINC001305650412 1068985718 /nfs/dbraw/zinc/98/57/18/1068985718.db2.gz TZHMJZVPOMEGOF-XXBNENTESA-N 0 3 485.652 3.024 20 0 JGADHN CC[C@H](c1nnc(N(C)C[C@@H]2CCN(C(C)=O)C2)n1CCN1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001305652717 1068991569 /nfs/dbraw/zinc/99/15/69/1068991569.db2.gz DZRSDRCNMQAVAI-ZCYQVOJMSA-N 0 3 495.716 3.151 20 0 JGADHN CCC(CC)(Cn1c(Cc2cccnc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C)OC ZINC001305698331 1069075713 /nfs/dbraw/zinc/07/57/13/1069075713.db2.gz XONCIXLAUIDNRZ-HXUWFJFHSA-N 0 3 456.635 3.159 20 0 JGADHN CCC(CC)[C@H](CCn1c(C2CCC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)OC ZINC001305701644 1069083168 /nfs/dbraw/zinc/08/31/68/1069083168.db2.gz HWFLRFXSLLPKTC-YADHBBJMSA-N 0 3 460.667 3.130 20 0 JGADHN CCC(CC)[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](C(=O)NC)C1)N1CCOCC1 ZINC001305704069 1069089624 /nfs/dbraw/zinc/08/96/24/1069089624.db2.gz JZVAQHMJCDTRGG-VWNXMTODSA-N 0 3 498.672 3.053 20 0 JGADHN CCC(CC)[C@H](Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](NC(C)=O)C1)N1CCOCC1 ZINC001305707445 1069098572 /nfs/dbraw/zinc/09/85/72/1069098572.db2.gz FSPYPJILMYGDON-ZCYQVOJMSA-N 0 3 482.673 3.495 20 0 JGADHN CCC(CC)[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)N(C)C ZINC001305709410 1069104126 /nfs/dbraw/zinc/10/41/26/1069104126.db2.gz PCISPGIZQRZDGJ-OFNKIYASSA-N 0 3 484.670 3.483 20 0 JGADHN CCC(CC)[C@H](Cn1c(-c2ccccc2C)nnc1N1CC[C@@](C)(C(N)=O)C1)N1CCOCC1 ZINC001305710345 1069107226 /nfs/dbraw/zinc/10/72/26/1069107226.db2.gz VAVAFZRAXCRWAY-BKMJKUGQSA-N 0 3 468.646 3.092 20 0 JGADHN CCC(CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CC2(F)F)CC1)N(C)C ZINC001305715426 1069120973 /nfs/dbraw/zinc/12/09/73/1069120973.db2.gz MGZKFMVGPBCRES-AQNXPRMDSA-N 0 3 487.661 3.418 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N(C)Cc2ncc(Cl)n2C)n1C[C@@H]1CCCCN1C1CC1 ZINC001305727810 1069146400 /nfs/dbraw/zinc/14/64/00/1069146400.db2.gz WROOAHNMIMIXNF-SFHVURJKSA-N 0 3 477.057 3.237 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@@]3(CCOC3)OC(C)(C)C2)n1C[C@H]1N(C)CCCC1(C)C ZINC001305736048 1069157294 /nfs/dbraw/zinc/15/72/94/1069157294.db2.gz MOARKQQNWCLWJM-FQRUVTKNSA-N 0 3 490.693 3.091 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H](C)C2)n1Cc1ccccc1CN1CCC(O)CC1 ZINC001305737145 1069159643 /nfs/dbraw/zinc/15/96/43/1069159643.db2.gz ZWLVCAORDFQFLD-BGYRXZFFSA-N 0 3 482.673 3.294 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@@H](O)CC3(CCCC3)C2)n1C[C@H]1CCCCN1CC ZINC001305738317 1069163792 /nfs/dbraw/zinc/16/37/92/1069163792.db2.gz CMDIILFYGMZAEL-RTWAWAEBSA-N 0 3 460.667 3.202 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@@H](O)CC3(CCCC3)C2)n1C[C@@H]1CCCCN1CC ZINC001305738318 1069163833 /nfs/dbraw/zinc/16/38/33/1069163833.db2.gz CMDIILFYGMZAEL-SFTDATJTSA-N 0 3 460.667 3.202 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)N(CC)C[C@@H]2C)n1Cc1ccc(OC)c(F)c1 ZINC001305742623 1069177456 /nfs/dbraw/zinc/17/74/56/1069177456.db2.gz WDZIACDHDARORI-SJORKVTESA-N 0 3 460.598 3.311 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1Cc1ccc([C@@H](C)O)cc1 ZINC001305744105 1069182590 /nfs/dbraw/zinc/18/25/90/1069182590.db2.gz ZVJGBMPAASRPGK-IPMKNSEASA-N 0 3 456.635 3.217 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC(Cn3cc(C)cn3)CC2)n1CCN1CCC[C@H](C)C1 ZINC001305751713 1069198034 /nfs/dbraw/zinc/19/80/34/1069198034.db2.gz CFPMYGFGLIVYNN-FQEVSTJZSA-N 0 3 484.693 3.350 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](c3ccco3)C2)n1C[C@@]1(N(C)C)CCSC1 ZINC001305752483 1069200287 /nfs/dbraw/zinc/20/02/87/1069200287.db2.gz SNPQJNVWQDSYGK-HXOBKFHXSA-N 0 3 460.648 3.221 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccco3)C2)n1C[C@@]1(N(C)C)CCSC1 ZINC001305752486 1069200341 /nfs/dbraw/zinc/20/03/41/1069200341.db2.gz SNPQJNVWQDSYGK-SBUREZEXSA-N 0 3 460.648 3.221 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC(CC(=O)N(C)C)CC2)n1C[C@H]1N(C)CCCC1(C)C ZINC001305752807 1069200431 /nfs/dbraw/zinc/20/04/31/1069200431.db2.gz KNNSKALMPXDXKX-OAQYLSRUSA-N 0 3 489.709 3.012 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC(c3ccnn3C)CC2)n1C[C@H](C)N1CCC(C)CC1 ZINC001305753489 1069202562 /nfs/dbraw/zinc/20/25/62/1069202562.db2.gz YAZVDDGHBSHXSP-FQEVSTJZSA-N 0 3 484.693 3.434 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC(CN3CCOCC3)CC2)n1CC1(OC)CCCCC1 ZINC001305754347 1069204504 /nfs/dbraw/zinc/20/45/04/1069204504.db2.gz FWQKHONOTFUEOH-UHFFFAOYSA-N 0 3 490.693 3.094 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC(CN3CCOCC3)CC2)n1C[C@@H]1CCC(F)(F)C1 ZINC001305756784 1069211810 /nfs/dbraw/zinc/21/18/10/1069211810.db2.gz ZJXKIHRAWUTIHL-LJQANCHMSA-N 0 3 482.620 3.181 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CC[C@@]3(C2)CCCOC3)n1C[C@@H](C)N1CCC(C)CC1 ZINC001305759217 1069220596 /nfs/dbraw/zinc/22/05/96/1069220596.db2.gz CAJIGISCBLFNSI-CJFMBICVSA-N 0 3 460.667 3.324 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3CCCC[C@@H]3C2)n1C[C@@H]1CCCN1CCCO ZINC001305761658 1069229028 /nfs/dbraw/zinc/22/90/28/1069229028.db2.gz CFUQOYBARPPAMM-VWPQPMDRSA-N 0 3 460.667 3.060 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](OC)C2)n1C[C@H]1CCCN1Cc1ccccc1 ZINC001305772133 1069250082 /nfs/dbraw/zinc/25/00/82/1069250082.db2.gz OVMOEKPYAKITRC-DHIUTWEWSA-N 0 3 468.646 3.476 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCCN(Cc3ccccc3)CC2)n1Cc1nnc(C)s1 ZINC001305775753 1069258298 /nfs/dbraw/zinc/25/82/98/1069258298.db2.gz DRWMHBZRFUQJSL-UHFFFAOYSA-N 0 3 482.658 3.117 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@](C)(O)C1CCCCC1 ZINC001305778264 1069265299 /nfs/dbraw/zinc/26/52/99/1069265299.db2.gz AHNGKVIOTOIROF-RUZDIDTESA-N 0 3 462.683 3.448 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(F)ccc3F)CC2)n1C[C@H]1CCCN1CC ZINC001305780363 1069270564 /nfs/dbraw/zinc/27/05/64/1069270564.db2.gz CHNNHKZQHPCVIW-HXUWFJFHSA-N 0 3 489.615 3.286 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C)c3ccccc3C2)n1CCN1CCC[C@H](C)C1 ZINC001305783771 1069278360 /nfs/dbraw/zinc/27/83/60/1069278360.db2.gz XPFFJEYFYQRBRI-FQEVSTJZSA-N 0 3 467.662 3.385 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCC(C)CC3)CC2)n1CCc1nccnc1C ZINC001305785437 1069285703 /nfs/dbraw/zinc/28/57/03/1069285703.db2.gz LGBQCMIRPDYZGL-UHFFFAOYSA-N 0 3 482.677 3.238 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3ccc(F)cc3)C2)n1C[C@H]1CCCN1CC ZINC001305792093 1069305275 /nfs/dbraw/zinc/30/52/75/1069305275.db2.gz QMKURJYPENQNNZ-YADHBBJMSA-N 0 3 472.609 3.398 20 0 JGADHN O=C(OCc1ccc(Cl)cc1)c1cnc(Cl)nc1C(F)(F)N1CC[C@H]2NCCO[C@H]2C1 ZINC001164390046 718823746 /nfs/dbraw/zinc/82/37/46/718823746.db2.gz LHIRYFVJMBFGJL-CVEARBPZSA-N 0 3 473.307 3.252 20 0 JGADHN O=C1NCCN(C(F)(F)c2ccc(-c3nc(Cl)nc4sc5c(c43)CCC5)cc2)C12CNC2 ZINC001164414372 718879584 /nfs/dbraw/zinc/87/95/84/718879584.db2.gz SEROSJZWPOAPJA-UHFFFAOYSA-N 0 3 475.952 3.324 20 0 JGADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3ccc(C(=O)OC)c(Cl)n3)CC2)CC1 ZINC001164614039 719024016 /nfs/dbraw/zinc/02/40/16/719024016.db2.gz LYKPSWXZIDZHMX-UHFFFAOYSA-N 0 3 459.921 3.310 20 0 JGADHN COC(=O)[C@@H]1CNCCN1C(F)(F)c1cc(-c2cccc(C(F)(F)F)c2)nnc1Cl ZINC001164633752 719138502 /nfs/dbraw/zinc/13/85/02/719138502.db2.gz SOWPRVYHZZPYGY-AWEZNQCLSA-N 0 3 450.795 3.312 20 0 JGADHN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1[nH+]cnc3[n-]c(C(=O)OC)cc31)CC2 ZINC001164664494 719347032 /nfs/dbraw/zinc/34/70/32/719347032.db2.gz VYKWLWGHUKXVEN-UHFFFAOYSA-N 0 3 471.565 3.391 20 0 JGADHN CCS(=O)(=O)c1cc(C(F)(F)N2CC[C@@]3(CN(CC4CC4)C[C@H]3COC)C2)cnc1Cl ZINC001164812769 720205995 /nfs/dbraw/zinc/20/59/95/720205995.db2.gz MHPXDTUWPUPJGK-FXAWDEMLSA-N 0 3 478.005 3.258 20 0 JGADHN Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)cc1 ZINC001164726584 720341802 /nfs/dbraw/zinc/34/18/02/720341802.db2.gz PVPPWOSJXFTFSL-DHIUTWEWSA-N 0 3 474.590 3.225 20 0 JGADHN Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)cc1 ZINC001164726585 720342718 /nfs/dbraw/zinc/34/27/18/720342718.db2.gz PVPPWOSJXFTFSL-GOTSBHOMSA-N 0 3 474.590 3.225 20 0 JGADHN Cc1cc2c(ncnc2N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)n1S(=O)(=O)c1ccccc1 ZINC001164722595 720352670 /nfs/dbraw/zinc/35/26/70/720352670.db2.gz FMLJACSPBMHTSG-PKTZIBPZSA-N 0 3 474.590 3.225 20 0 JGADHN O=C(c1cccnc1N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1)N1CCN(Cc2ccccc2)CC1 ZINC001164731370 720406933 /nfs/dbraw/zinc/40/69/33/720406933.db2.gz ZHJGQGFYUHLLLA-SVBPBHIXSA-N 0 3 482.632 3.288 20 0 JGADHN O=C(c1cccnc1N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1)N1CCN(Cc2ccccc2)CC1 ZINC001164731365 720407938 /nfs/dbraw/zinc/40/79/38/720407938.db2.gz ZHJGQGFYUHLLLA-KAYWLYCHSA-N 0 3 482.632 3.288 20 0 JGADHN c1ccc(-c2nc(-c3ccccc3)nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164742674 720688097 /nfs/dbraw/zinc/68/80/97/720688097.db2.gz WHTRCPRFWJNZNC-VXKWHMMOSA-N 0 3 451.534 3.338 20 0 JGADHN Cc1sc2nc(CN3CCCC3)nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1C ZINC001164737854 720762484 /nfs/dbraw/zinc/76/24/84/720762484.db2.gz DCRYEZOVVLGDNB-MOPGFXCFSA-N 0 3 465.627 3.036 20 0 JGADHN Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164741789 720762764 /nfs/dbraw/zinc/76/27/64/720762764.db2.gz MZSTZOUTKRGDLI-YADHBBJMSA-N 0 3 455.566 3.228 20 0 JGADHN c1ncc(O[C@@H]2C[C@H]3CN(c4nc(CN5CCCCC5)nc5sc6c(c54)CCC6)CCN3C2)cn1 ZINC001164738614 720763374 /nfs/dbraw/zinc/76/33/74/720763374.db2.gz GIVGRAXOVUMQNG-RBUKOAKNSA-N 0 3 491.665 3.298 20 0 JGADHN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164740951 720764431 /nfs/dbraw/zinc/76/44/31/720764431.db2.gz LNOZFBQQOOKLCV-OALUTQOASA-N 0 3 467.643 3.282 20 0 JGADHN c1ncc(O[C@@H]2C[C@@H]3CN(c4nc(CN5CCCC5)nc5sc6c(c54)CCCC6)CCN3C2)cn1 ZINC001164741853 720765079 /nfs/dbraw/zinc/76/50/79/720765079.db2.gz NDETZTPBLYZWCB-RTBURBONSA-N 0 3 491.665 3.298 20 0 JGADHN Clc1nc(Cl)c2nc(Cl)nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2n1 ZINC001164870470 721065695 /nfs/dbraw/zinc/06/56/95/721065695.db2.gz VYBXCNRYIFJSQC-STQMWFEESA-N 0 3 466.760 3.255 20 0 JGADHN Cn1cc(CN2CC[C@H]3CN(c4cc(C(=O)NCc5ccccc5)cc(Cl)n4)C[C@H]3C2)cn1 ZINC001164760976 721092450 /nfs/dbraw/zinc/09/24/50/721092450.db2.gz AGQXEHAIVLOZOJ-RBBKRZOGSA-N 0 3 465.001 3.357 20 0 JGADHN Cc1sc2nc(CN3CCOCC3)nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1C ZINC001164874531 721145301 /nfs/dbraw/zinc/14/53/01/721145301.db2.gz KKERNRILRDQAAN-VXKWHMMOSA-N 0 3 494.665 3.015 20 0 JGADHN c1cncc(CO[C@@H]2C[C@@H]3CN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)CCN3C2)c1 ZINC001164869771 721160663 /nfs/dbraw/zinc/16/06/63/721160663.db2.gz BIEZVDMSTUVEAV-FGZHOGPDSA-N 0 3 459.550 3.180 20 0 JGADHN COC[C@H]1CC2(CN1C(=O)c1cccn1C)CCN(c1ccc(CN(C)C3CC3)cn1)CC2 ZINC001164871138 721225626 /nfs/dbraw/zinc/22/56/26/721225626.db2.gz IGFBEYSPBVXCOU-JOCHJYFZSA-N 0 3 451.615 3.162 20 0 JGADHN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncnc5c4ccn5Cc4cccc(F)c4)C3)O2)CC1 ZINC001164885276 721416055 /nfs/dbraw/zinc/41/60/55/721416055.db2.gz GNASEHRVPZXMFT-WNCULLNHSA-N 0 3 478.616 3.384 20 0 JGADHN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncnc5c4ccn5Cc4cccc(F)c4)C3)O2)CC1 ZINC001164885272 721416519 /nfs/dbraw/zinc/41/65/19/721416519.db2.gz GNASEHRVPZXMFT-HOFKKMOUSA-N 0 3 478.616 3.384 20 0 JGADHN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncnc5c4ccn5Cc4ccccc4)C3)O2)CC1 ZINC001164892960 721417174 /nfs/dbraw/zinc/41/71/74/721417174.db2.gz ZLJFERQSAPTMME-HOFKKMOUSA-N 0 3 460.626 3.245 20 0 JGADHN CS(=O)(=O)c1ccc(Oc2ccnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)n2)cc1 ZINC001164905795 721548528 /nfs/dbraw/zinc/54/85/28/721548528.db2.gz IHRWJENKHQSSNX-RXVVDRJESA-N 0 3 484.553 3.153 20 0 JGADHN O=S(=O)(c1ccccc1)n1ccc2cnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nc21 ZINC001164911559 721550739 /nfs/dbraw/zinc/55/07/39/721550739.db2.gz XJPOSWYGVKNYJH-IRLDBZIGSA-N 0 3 493.564 3.149 20 0 JGADHN CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164904187 721556010 /nfs/dbraw/zinc/55/60/10/721556010.db2.gz DGHCATDFOXCCCD-FBBABVLZSA-N 0 3 462.591 3.030 20 0 JGADHN CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164904190 721556265 /nfs/dbraw/zinc/55/62/65/721556265.db2.gz DGHCATDFOXCCCD-HFSMHLIXSA-N 0 3 462.591 3.030 20 0 JGADHN CCC(C)(C)NS(=O)(=O)c1ccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164907242 721556352 /nfs/dbraw/zinc/55/63/52/721556352.db2.gz MYLRPCPDDRUIQR-UYAOXDASSA-N 0 3 462.591 3.030 20 0 JGADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cc(N5CCN(c6ccccc6F)CC5)ncn4)CCN3C2)c1 ZINC001164911031 721556455 /nfs/dbraw/zinc/55/64/55/721556455.db2.gz YEDTXYJTPNFEAG-FYYLOGMGSA-N 0 3 492.574 3.423 20 0 JGADHN COc1cccc(CN2C[C@H]3CCN(c4ccc(CN5CCCC5)cn4)CC[C@@H]3S2(=O)=O)c1 ZINC001164808898 721592815 /nfs/dbraw/zinc/59/28/15/721592815.db2.gz RJNZZJQENOVMGV-VWNXMTODSA-N 0 3 470.639 3.117 20 0 JGADHN COc1cccc(CN2C[C@@H]3CCN(c4ccc(CN(C)C5CC5)cn4)CC[C@H]3S2(=O)=O)c1 ZINC001164801486 721592837 /nfs/dbraw/zinc/59/28/37/721592837.db2.gz FBKWATBWRVHJHI-XUZZJYLKSA-N 0 3 470.639 3.115 20 0 JGADHN COC(=O)/C=C/c1cc2cc[nH]c2c(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1 ZINC001164959954 722058319 /nfs/dbraw/zinc/05/83/19/722058319.db2.gz AGDZIUGPSXFKCN-NSCUHMNNSA-N 0 3 461.566 3.263 20 0 JGADHN COC(=O)/C=C\c1cc2cc[nH]c2c(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1 ZINC001164959953 722058401 /nfs/dbraw/zinc/05/84/01/722058401.db2.gz AGDZIUGPSXFKCN-IHWYPQMZSA-N 0 3 461.566 3.263 20 0 JGADHN O=C(NCc1ccccc1)c1cccnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164980066 722103556 /nfs/dbraw/zinc/10/35/56/722103556.db2.gz JEBUEKLLJJGRKV-ZCYQVOJMSA-N 0 3 457.578 3.134 20 0 JGADHN CC[C@@H]1C(=O)Nc2cnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc2N1C1CCCC1 ZINC001164973320 722117352 /nfs/dbraw/zinc/11/73/52/722117352.db2.gz HAIWXTVXSGHCOL-AGILITTLSA-N 0 3 491.640 3.079 20 0 JGADHN CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979772 722118923 /nfs/dbraw/zinc/11/89/23/722118923.db2.gz PVOMIGYYVKBVKO-IFMALSPDSA-N 0 3 478.597 3.100 20 0 JGADHN CCOC(=O)c1cc2c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)[nH]c(C)c(C)c-2n1 ZINC001164980398 722127286 /nfs/dbraw/zinc/12/72/86/722127286.db2.gz QZDAANSHFXQZNL-NFBKMPQASA-N 0 3 463.582 3.479 20 0 JGADHN COC(=O)C[C@H](c1ccnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1)C1CC1 ZINC001164976995 722137661 /nfs/dbraw/zinc/13/76/61/722137661.db2.gz HMTABNCLNUXICZ-SGNDLWITSA-N 0 3 450.583 3.261 20 0 JGADHN O=C(c1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1)N1CCCCC1 ZINC001164975104 722144159 /nfs/dbraw/zinc/14/41/59/722144159.db2.gz DVQHDCKLTIEBQS-NZQKXSOJSA-N 0 3 470.017 3.483 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCC[C@H](C)C1 ZINC001305798329 1069319379 /nfs/dbraw/zinc/31/93/79/1069319379.db2.gz NTJUHVJTQDFMHK-AZUAARDMSA-N 0 3 491.681 3.032 20 0 JGADHN CC[C@@H](Cn1c(C(C)C)nnc1N1CCN(C2CCOCC2)CC1)NC(=O)OC(C)(C)C ZINC001305806558 1069334876 /nfs/dbraw/zinc/33/48/76/1069334876.db2.gz OBSLGQUQYLVABX-SFHVURJKSA-N 0 3 450.628 3.006 20 0 JGADHN CC[C@H](Cn1c(-c2cc(C)nc3ccccc32)nnc1N(C)CCS(C)(=O)=O)N1CCCC1 ZINC001305807491 1069336292 /nfs/dbraw/zinc/33/62/92/1069336292.db2.gz ITTYLDDIGAGEIY-LJQANCHMSA-N 0 3 470.643 3.157 20 0 JGADHN CC[C@H](Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C[C@@H]2CCOC2)CC1)OC ZINC001305808211 1069337433 /nfs/dbraw/zinc/33/74/33/1069337433.db2.gz JHUHUUNZHPATHD-SLFFLAALSA-N 0 3 461.582 3.141 20 0 JGADHN CC[C@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)Oc1ccccc1F ZINC001305809055 1069338746 /nfs/dbraw/zinc/33/87/46/1069338746.db2.gz XQSYTNCGTAKTHQ-TZIWHRDSSA-N 0 3 472.609 3.141 20 0 JGADHN CC[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(F)(F)C1)N1CCCC1 ZINC001305816250 1069349717 /nfs/dbraw/zinc/34/97/17/1069349717.db2.gz RKXKFLYGTAYDJN-QGZVFWFLSA-N 0 3 453.559 3.068 20 0 JGADHN CC[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1)N1CCCC1 ZINC001305817463 1069351849 /nfs/dbraw/zinc/35/18/49/1069351849.db2.gz YLOLVCWNBSMIMR-RBBKRZOGSA-N 0 3 489.686 3.474 20 0 JGADHN CC[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1)OC ZINC001305839162 1069384150 /nfs/dbraw/zinc/38/41/50/1069384150.db2.gz VGYWGQPQDIBDHR-WOJBJXKFSA-N 0 3 476.616 3.177 20 0 JGADHN CC[C@H](Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC001305842303 1069391564 /nfs/dbraw/zinc/39/15/64/1069391564.db2.gz OSLCCVXSLYCXGU-SVFBPWRDSA-N 0 3 471.650 3.486 20 0 JGADHN CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N(C)CCOC(C)(C)C)N1CCc2ccccc2C1 ZINC001305844272 1069394111 /nfs/dbraw/zinc/39/41/11/1069394111.db2.gz ILEIKHZUIQMALQ-QHCPKHFHSA-N 0 3 482.673 3.489 20 0 JGADHN CC[C@H](Cn1c(N2CCCN(C(C)=O)CC2)nnc1C(C)(C)C)N1CCc2ccccc2C1 ZINC001305849313 1069401090 /nfs/dbraw/zinc/40/10/90/1069401090.db2.gz FUDKLWOSYUVQAZ-HSZRJFAPSA-N 0 3 452.647 3.471 20 0 JGADHN CCc1ccc([C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C)[C@@H](C)C2)N(C)C)cc1 ZINC001305914295 1069469216 /nfs/dbraw/zinc/46/92/16/1069469216.db2.gz AZGFCYIPOIPETF-OZIGNCPNSA-N 0 3 476.691 3.236 20 0 JGADHN CCc1ccc([C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C)[C@@H](C)C2)N(C)C)cc1 ZINC001305914293 1069469267 /nfs/dbraw/zinc/46/92/67/1069469267.db2.gz AZGFCYIPOIPETF-GHDARCQNSA-N 0 3 476.691 3.236 20 0 JGADHN CCc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C(C)C)C2)N(C)C)cc1 ZINC001305915199 1069469745 /nfs/dbraw/zinc/46/97/45/1069469745.db2.gz HTJNPZKBIJXVHE-VXKWHMMOSA-N 0 3 456.635 3.143 20 0 JGADHN CCc1ccc([C@@H](Cn2c(CN3CCCC3=O)nnc2N(C)C[C@@H]2CCCOC2)N(C)C)cc1 ZINC001305915302 1069470351 /nfs/dbraw/zinc/47/03/51/1069470351.db2.gz AKWGVOABPSNSEX-JTHBVZDNSA-N 0 3 468.646 3.129 20 0 JGADHN CCc1ccc(-c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)CN2CCCCC2)cc1 ZINC001305917761 1069472482 /nfs/dbraw/zinc/47/24/82/1069472482.db2.gz MGOYCWULGYGNSX-UGKGYDQZSA-N 0 3 459.660 3.253 20 0 JGADHN CCc1ccc([C@@H](Cn2c([C@H]3CCCO3)nnc2N2CCC[C@H](C(=O)OC)C2)N(C)C)cc1 ZINC001305921640 1069477370 /nfs/dbraw/zinc/47/73/70/1069477370.db2.gz VJGVIUYBKOQCRN-BHDDXSALSA-N 0 3 455.603 3.384 20 0 JGADHN CN(C)[C@@H](Cn1c(-c2cccnc2)nnc1N(C)CC(=O)NC(C)(C)C)c1cccc(F)c1 ZINC001298208225 1064125742 /nfs/dbraw/zinc/12/57/42/1064125742.db2.gz IRODENKJWNFZQM-FQEVSTJZSA-N 0 3 453.566 3.133 20 0 JGADHN CN(C)[C@H](Cn1c(-c2cccn2C)nnc1N(C)CC(C)(C)CN1CCOCC1)c1cccs1 ZINC001298236593 1064142228 /nfs/dbraw/zinc/14/22/28/1064142228.db2.gz XWMKFYBQFCMQFY-OAQYLSRUSA-N 0 3 485.702 3.443 20 0 JGADHN CN(CC(F)(F)F)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCSCC2)CCCCC1 ZINC001298240105 1064144426 /nfs/dbraw/zinc/14/44/26/1064144426.db2.gz KKNWYQMBQXZRLD-UHFFFAOYSA-N 0 3 474.597 3.264 20 0 JGADHN CN(Cc1cccc(C(F)(F)F)c1)c1nnc([C@H]2CCOC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001298328072 1064203349 /nfs/dbraw/zinc/20/33/49/1064203349.db2.gz DITIZIWSXBGHSF-IBGZPJMESA-N 0 3 480.579 3.463 20 0 JGADHN CN(Cc1cccc(Cl)c1)c1nnc([C@H]2CCCOC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001298330607 1064205709 /nfs/dbraw/zinc/20/57/09/1064205709.db2.gz DTIHLXDMSPZXFL-FQEVSTJZSA-N 0 3 461.054 3.488 20 0 JGADHN CN(Cc1ccccn1)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001298364589 1064220853 /nfs/dbraw/zinc/22/08/53/1064220853.db2.gz CREULYIDLHBJGQ-UHFFFAOYSA-N 0 3 455.010 3.051 20 0 JGADHN CN1C[C@H]2CCN(C(=O)c3ccccc3OCC(=O)Nc3ccc(Br)cc3)[C@@H]2C1 ZINC001298377116 1064225339 /nfs/dbraw/zinc/22/53/39/1064225339.db2.gz KBUABYYYVIUPIS-DNVCBOLYSA-N 0 3 458.356 3.243 20 0 JGADHN CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)c1cccc(CS(N)(=O)=O)c1 ZINC001298378634 1064225860 /nfs/dbraw/zinc/22/58/60/1064225860.db2.gz MILJAWNPBPGCEO-XMMPIXPASA-N 0 3 457.640 3.280 20 0 JGADHN O=C(CNC(=O)c1cccc(O)c1)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001298395557 1064231230 /nfs/dbraw/zinc/23/12/30/1064231230.db2.gz LMHFVRIFHXGLLE-DEOSSOPVSA-N 0 3 458.562 3.210 20 0 JGADHN CSc1ccc([C@H](CNC(=O)CN(C)C(=O)c2ccc(Br)o2)N(C)C)cc1 ZINC001298402584 1064237309 /nfs/dbraw/zinc/23/73/09/1064237309.db2.gz BCMICVBCRUHZLQ-HNNXBMFYSA-N 0 3 454.390 3.255 20 0 JGADHN CN(Cc1ccoc1)c1nnc(COc2ccc(F)cc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001298420874 1064244530 /nfs/dbraw/zinc/24/45/30/1064244530.db2.gz FMXNQMNOOFNBBI-UHFFFAOYSA-N 0 3 456.566 3.252 20 0 JGADHN CN(C)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ncnn1CC(F)F)c1cccs1 ZINC001298462398 1064263699 /nfs/dbraw/zinc/26/36/99/1064263699.db2.gz KAHFHXGQNAHMSO-CVEARBPZSA-N 0 3 480.589 3.377 20 0 JGADHN CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)CCCN3CCN(c4ccccc4)CC3)CC[C@@H]21 ZINC001298533610 1064296083 /nfs/dbraw/zinc/29/60/83/1064296083.db2.gz CYOPWHSAWPJCSQ-GMAHTHKFSA-N 0 3 456.631 3.447 20 0 JGADHN CN(CCC(F)(F)F)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1N(C)CCCC1(C)C ZINC001298591387 1064365016 /nfs/dbraw/zinc/36/50/16/1064365016.db2.gz FLIATMDPCCMKKV-HNNXBMFYSA-N 0 3 453.513 3.434 20 0 JGADHN CN(CCC(F)F)c1nnc(Cc2c(F)cccc2F)n1CCN1CCN(C)C(C)(C)C1 ZINC001298609446 1064381459 /nfs/dbraw/zinc/38/14/59/1064381459.db2.gz SESUYTUCJLZOAK-UHFFFAOYSA-N 0 3 456.532 3.265 20 0 JGADHN CN(CCn1c(-c2cnccn2)nnc1N1CCCN(CC(F)(F)F)CC1)Cc1ccc(F)cc1 ZINC001298705385 1064510254 /nfs/dbraw/zinc/51/02/54/1064510254.db2.gz GUBCUNFNNRVCHJ-UHFFFAOYSA-N 0 3 492.525 3.081 20 0 JGADHN CN(CCn1c([C@H]2CCCCO2)nnc1N(C)CC(=O)NC(C)(C)C)Cc1ccc(F)cc1 ZINC001298708600 1064514590 /nfs/dbraw/zinc/51/45/90/1064514590.db2.gz MUPKTAZNQQSXQK-HXUWFJFHSA-N 0 3 460.598 3.142 20 0 JGADHN CN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(F)(F)F)C1)C1CCCCC1 ZINC001298714213 1064523319 /nfs/dbraw/zinc/52/33/19/1064523319.db2.gz LGKTWWGWQGRBLJ-DLBZAZTESA-N 0 3 477.597 3.223 20 0 JGADHN CN(CCn1c(CCCc2ccccc2)nnc1N1CCN(C2CCOCC2)CC1)CC(F)(F)F ZINC001298718014 1064528869 /nfs/dbraw/zinc/52/88/69/1064528869.db2.gz UKFVJPZEDJBUGN-UHFFFAOYSA-N 0 3 494.606 3.249 20 0 JGADHN CN(C)[C@@H](Cn1c(Cc2cccnc2)nnc1N(C)CCN1CCOC(C)(C)C1)c1ccc(F)cc1 ZINC001298728883 1064543038 /nfs/dbraw/zinc/54/30/38/1064543038.db2.gz CAXFDNOACRDOTH-DEOSSOPVSA-N 0 3 495.647 3.253 20 0 JGADHN CN(CCOC(C)(C)C)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCSCC2)CCCC1 ZINC001298748359 1064559925 /nfs/dbraw/zinc/55/99/25/1064559925.db2.gz OQNBGOSNZWCFOG-UHFFFAOYSA-N 0 3 478.707 3.127 20 0 JGADHN CN1CCC(N(Cc2ccccc2Br)C(=O)c2ccc(Cn3ccnn3)o2)CC1 ZINC001298821372 1064622963 /nfs/dbraw/zinc/62/29/63/1064622963.db2.gz KXVFYWOGZIYHDJ-UHFFFAOYSA-N 0 3 458.360 3.419 20 0 JGADHN Cn1cccc1-c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CCN1CC=CCC1 ZINC001298852388 1064654932 /nfs/dbraw/zinc/65/49/32/1064654932.db2.gz IKJWIPGRCSQHLO-NRFANRHFSA-N 0 3 452.525 3.075 20 0 JGADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CCSc2ccccc2)CC1 ZINC001298885680 1064692207 /nfs/dbraw/zinc/69/22/07/1064692207.db2.gz ATVRHCDRFKXJOY-HXUWFJFHSA-N 0 3 456.660 3.111 20 0 JGADHN C[C@@H]1[C@@H](NC(=O)CN(C)C(=O)c2ccc(Br)s2)CCN1Cc1ccccc1 ZINC001298885983 1064692875 /nfs/dbraw/zinc/69/28/75/1064692875.db2.gz HQRVTAGCLTWCGG-ZBFHGGJFSA-N 0 3 450.402 3.362 20 0 JGADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC(C)(F)F)CC1 ZINC001298886165 1064694044 /nfs/dbraw/zinc/69/40/44/1064694044.db2.gz DQGPQPKBJKZAGW-LJQANCHMSA-N 0 3 496.990 3.299 20 0 JGADHN CN1CCN(CCn2c([C@@H]3CCCOC3)nnc2N2CCC(Cl)=C(Cl)C2)CC1(C)C ZINC001298898159 1064704583 /nfs/dbraw/zinc/70/45/83/1064704583.db2.gz SWGBTLMLGXLOON-MRXNPFEDSA-N 0 3 457.450 3.097 20 0 JGADHN CN1CCN(CCn2c(Cc3ccsc3)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1(C)C ZINC001298899156 1064704901 /nfs/dbraw/zinc/70/49/01/1064704901.db2.gz ZXTVHISZYIEDBT-FQEVSTJZSA-N 0 3 460.692 3.208 20 0 JGADHN CN1CCN(CCn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1(C)C ZINC001298899162 1064705410 /nfs/dbraw/zinc/70/54/10/1064705410.db2.gz ZXTVHISZYIEDBT-HXUWFJFHSA-N 0 3 460.692 3.208 20 0 JGADHN CNC(=O)[C@H](C)CN(C)c1nnc(Cc2ccsc2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001298988826 1064772045 /nfs/dbraw/zinc/77/20/45/1064772045.db2.gz FUZQZTUTUAWBLR-OXQOHEQNSA-N 0 3 458.607 3.191 20 0 JGADHN CNC(=O)[C@H]1CCCN(c2nnc(CC(C)(C)C)n2CCCN2CCc3ccccc3C2)C1 ZINC001299084303 1064887415 /nfs/dbraw/zinc/88/74/15/1064887415.db2.gz DYMOUIQPLSKAJL-QFIPXVFZSA-N 0 3 452.647 3.278 20 0 JGADHN CN(C)CCN1C[C@H](C(=O)N2CCC(c3cccc(NC(=O)OC(C)(C)C)c3)CC2)CC1=O ZINC001299097341 1064901797 /nfs/dbraw/zinc/90/17/97/1064901797.db2.gz VXYHEUJOGMUIMK-HXUWFJFHSA-N 0 3 458.603 3.150 20 0 JGADHN CNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2ccccc2OC)N2CCCC2)CC1 ZINC001299098888 1064903608 /nfs/dbraw/zinc/90/36/08/1064903608.db2.gz MNHQZLYPSWOZDR-NRFANRHFSA-N 0 3 468.646 3.384 20 0 JGADHN CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](c2cccs2)N(C)C)C1 ZINC001299101004 1064907695 /nfs/dbraw/zinc/90/76/95/1064907695.db2.gz PXACTCKAPHKMKV-PZJWPPBQSA-N 0 3 482.654 3.492 20 0 JGADHN COc1cc(C)c(CN(C)c2nnc(Cc3ccncc3)n2CCN2CC=CCC2)cc1OC ZINC001299827471 1065020613 /nfs/dbraw/zinc/02/06/13/1065020613.db2.gz MENIPVGVXDKZHL-UHFFFAOYSA-N 0 3 462.598 3.488 20 0 JGADHN COc1cc(-c2nnc(N3CCNC(=O)CC3)n2C[C@@H](c2cccs2)N(C)C)ccc1OC(C)C ZINC001299856847 1065065360 /nfs/dbraw/zinc/06/53/60/1065065360.db2.gz GOOHKUDMQOZZKH-IBGZPJMESA-N 0 3 498.653 3.432 20 0 JGADHN COc1cc(-c2nnc(N3CCN(C[C@@H]4CCOC4)CC3)n2CC(F)(F)F)ccc1OC(C)C ZINC001299857631 1065067512 /nfs/dbraw/zinc/06/75/12/1065067512.db2.gz ULVJVPCUZRBAJH-KRWDZBQOSA-N 0 3 483.535 3.462 20 0 JGADHN COc1cc(-c2nnc(N3CCN(C[C@H]4CCOC4)CC3)n2CC(F)(F)F)ccc1OC(C)C ZINC001299857632 1065067670 /nfs/dbraw/zinc/06/76/70/1065067670.db2.gz ULVJVPCUZRBAJH-QGZVFWFLSA-N 0 3 483.535 3.462 20 0 JGADHN COc1cc(Cl)ccc1-c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(C)C)C1 ZINC001299895214 1065126481 /nfs/dbraw/zinc/12/64/81/1065126481.db2.gz NBUPQNKEOYPUFF-IEBWSBKVSA-N 0 3 496.077 3.351 20 0 JGADHN COc1cc(Cl)ccc1-c1nnc(N2CCN(C(C)(C)C)CC2)n1CCN1CCOC[C@@H]1C ZINC001299908385 1065151986 /nfs/dbraw/zinc/15/19/86/1065151986.db2.gz 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JGADHN Cc1ccc(NC(=O)c2nnc(N3CCC[C@@H](NC(=O)C(C)C)C3)n2CCN2CCC[C@@H]2C)cc1C ZINC001492264094 1065356947 /nfs/dbraw/zinc/35/69/47/1065356947.db2.gz DPJNVACLQHPRBU-JTHBVZDNSA-N 0 3 495.672 3.373 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2CCN(C)C2CCCC2)cc1 ZINC001492376874 1065439721 /nfs/dbraw/zinc/43/97/21/1065439721.db2.gz FFCHXXKZZQCYEI-QHCPKHFHSA-N 0 3 489.686 3.443 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(C(C)(C)C)CC3)n2CCCO[C@@H]2CCOC2)cc1 ZINC001492382789 1065444722 /nfs/dbraw/zinc/44/47/22/1065444722.db2.gz DAMWDLKKBGPEHY-JOCHJYFZSA-N 0 3 457.619 3.282 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(CCC(C)(C)C)CC3)n2C[C@]2(O)CCOC2)cc1C ZINC001492390864 1065456416 /nfs/dbraw/zinc/45/64/16/1065456416.db2.gz DPMXAOSJUHGYQZ-AREMUKBSSA-N 0 3 471.646 3.184 20 0 JGADHN Cc1ccc(OCCN(C)c2nnc(C(=O)N3CCCC3)n2CCN2CCC[C@H](C)C2)cc1 ZINC001492419353 1065480411 /nfs/dbraw/zinc/48/04/11/1065480411.db2.gz XBNLLBCJTQFXGX-NRFANRHFSA-N 0 3 454.619 3.070 20 0 JGADHN Cc1ccc(OCCN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2cccs2)N(C)C)cc1 ZINC001492420541 1065481044 /nfs/dbraw/zinc/48/10/44/1065481044.db2.gz GSHNNOQSLAKZIE-PMACEKPBSA-N 0 3 468.627 3.417 20 0 JGADHN Cc1ccc(S(=O)(=O)NCCn2c(-c3ccccc3)nnc2N2CCN(C(C)(C)C)CC2)s1 ZINC001492437462 1065493648 /nfs/dbraw/zinc/49/36/48/1065493648.db2.gz AUVGOEXOHSQADN-UHFFFAOYSA-N 0 3 488.683 3.214 20 0 JGADHN Cc1ccc(SCCn2c(C(=O)N3CCCC3)nnc2N2CCN(CC(C)C)CC2)cc1 ZINC001492469220 1065517915 /nfs/dbraw/zinc/51/79/15/1065517915.db2.gz CXOVKDBKUQUVOW-UHFFFAOYSA-N 0 3 456.660 3.393 20 0 JGADHN CO[C@@H]1COCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CC(C)C)CC1 ZINC001300878098 1065661360 /nfs/dbraw/zinc/66/13/60/1065661360.db2.gz YTVWNYDSXKDOHD-ISKFKSNPSA-N 0 3 471.646 3.303 20 0 JGADHN CO[C@@H]1COCC[C@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CC(C)C)CC1 ZINC001300878099 1065661377 /nfs/dbraw/zinc/66/13/77/1065661377.db2.gz YTVWNYDSXKDOHD-LADGPHEKSA-N 0 3 471.646 3.303 20 0 JGADHN COCC(=O)NC1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)N2CCc3ccccc3C2)CC1 ZINC001300910125 1065707773 /nfs/dbraw/zinc/70/77/73/1065707773.db2.gz CXJLCGIFOYPXEF-FQEVSTJZSA-N 0 3 482.673 3.045 20 0 JGADHN COCC(C)(C)CCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001300914187 1065713942 /nfs/dbraw/zinc/71/39/42/1065713942.db2.gz KHOVIEBAZGJYAT-FQEVSTJZSA-N 0 3 472.634 3.042 20 0 JGADHN COCC(=O)NC1CCN(c2nnc(Cc3ccsc3)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 ZINC001300917141 1065717405 /nfs/dbraw/zinc/71/74/05/1065717405.db2.gz UEIIQVBMWNANOU-HSZRJFAPSA-N 0 3 496.681 3.273 20 0 JGADHN COCC(=O)NC1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 ZINC001300917142 1065717492 /nfs/dbraw/zinc/71/74/92/1065717492.db2.gz UEIIQVBMWNANOU-QHCPKHFHSA-N 0 3 496.681 3.273 20 0 JGADHN COCC(C)(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001300929399 1065728966 /nfs/dbraw/zinc/72/89/66/1065728966.db2.gz PNSYPZOWVWDTNZ-PMACEKPBSA-N 0 3 475.609 3.388 20 0 JGADHN COCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CCCC2)CC1 ZINC001300947020 1065750877 /nfs/dbraw/zinc/75/08/77/1065750877.db2.gz YMTRCDPICLLQKE-UHFFFAOYSA-N 0 3 460.648 3.007 20 0 JGADHN COC[C@H](C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN(C2CCOCC2)CC1 ZINC001300964970 1065774086 /nfs/dbraw/zinc/77/40/86/1065774086.db2.gz NRGPFIFKRNPVAD-MRXNPFEDSA-N 0 3 496.425 3.430 20 0 JGADHN COCC1(C)CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001301089851 1065939497 /nfs/dbraw/zinc/93/94/97/1065939497.db2.gz DAEYRHLIGYMAAT-UHFFFAOYSA-N 0 3 476.069 3.272 20 0 JGADHN COCC1(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCN(CC(C)C)CC2)CCOCC1 ZINC001301155107 1065992134 /nfs/dbraw/zinc/99/21/34/1065992134.db2.gz YEQJWRATABKBTL-FGZHOGPDSA-N 0 3 477.694 3.418 20 0 JGADHN COCC1=CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[C@@H](C)N2CCCCC2)CC1 ZINC001301185988 1066015591 /nfs/dbraw/zinc/01/55/91/1066015591.db2.gz UEOSKRFBSLEDJN-HXUWFJFHSA-N 0 3 487.670 3.396 20 0 JGADHN COC[C@@H]1CCCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2C[C@H](C)C[C@@H](C)C2)C1 ZINC001301244387 1066060630 /nfs/dbraw/zinc/06/06/30/1066060630.db2.gz KDOUIYRYEMFSBM-GXRSIYKFSA-N 0 3 495.734 3.190 20 0 JGADHN COC[C@H]1CCCN(c2nnc(COc3ccc(C)c(C)c3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001301283554 1066091480 /nfs/dbraw/zinc/09/14/80/1066091480.db2.gz PKOLQJQLWSNIHK-QHCPKHFHSA-N 0 3 484.689 3.363 20 0 JGADHN COCC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C(C)C)N2CCCC2)CC1 ZINC001301297838 1066104053 /nfs/dbraw/zinc/10/40/53/1066104053.db2.gz HCTLFITVOZMUOY-QHCPKHFHSA-N 0 3 489.686 3.332 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(COC)CC2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001301344594 1066135933 /nfs/dbraw/zinc/13/59/33/1066135933.db2.gz PCULLSVEGJZNOS-PMVMPFDFSA-N 0 3 475.609 3.307 20 0 JGADHN CCCN1CC[C@H](NC(=O)c2c(I)ccc(Br)c2F)C1 ZINC001301378451 1066171600 /nfs/dbraw/zinc/17/16/00/1066171600.db2.gz FXWCCLXJLUMDIG-VIFPVBQESA-N 0 3 455.109 3.407 20 0 JGADHN COC[C@@H]1CN(c2nnc(CCc3ccccc3)n2C[C@H](c2cccs2)N(C)C)CCO1 ZINC001301402714 1066183689 /nfs/dbraw/zinc/18/36/89/1066183689.db2.gz KOZBCJGRRUVHTB-LEWJYISDSA-N 0 3 455.628 3.279 20 0 JGADHN COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C3CCC3)n2C[C@@H](c2ccccc2)N(C)C)C1 ZINC001301946225 1066235983 /nfs/dbraw/zinc/23/59/83/1066235983.db2.gz UPEKAVIZPNQIJX-PMOQBDJRSA-N 0 3 468.646 3.216 20 0 JGADHN CC(=O)NCCN(Cc1ccsc1)c1nnc(CC(C)(C)C)n1CCN1CCN(C)C(C)(C)C1 ZINC001301948653 1066242568 /nfs/dbraw/zinc/24/25/68/1066242568.db2.gz UMHYYAOJPJDLJD-UHFFFAOYSA-N 0 3 489.734 3.097 20 0 JGADHN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc3cccnc32)n1C[C@@H](C1CC1)N(C)C ZINC001301989022 1066306082 /nfs/dbraw/zinc/30/60/82/1066306082.db2.gz NRZHFCSREGZDFM-LZJOCLMNSA-N 0 3 470.643 3.091 20 0 JGADHN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CC(C)(C)CN(C)C ZINC001301991264 1066311253 /nfs/dbraw/zinc/31/12/53/1066311253.db2.gz MRLXXDGSFZKMGV-QZTJIDSGSA-N 0 3 474.675 3.282 20 0 JGADHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCN1CCCCC1 ZINC001301993474 1066318340 /nfs/dbraw/zinc/31/83/40/1066318340.db2.gz WDVBVXPMODGEKS-RTWAWAEBSA-N 0 3 499.685 3.265 20 0 JGADHN CC(C)(C)C(=O)N[C@H]1CCCN(c2nnc(CCc3ccccc3)n2CCN2CC=CCC2)C1 ZINC001302014612 1066361247 /nfs/dbraw/zinc/36/12/47/1066361247.db2.gz CAGGEXXPDYXKDQ-QHCPKHFHSA-N 0 3 464.658 3.456 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCC3(C2)CCCCC3)n1CCN1CCN(C)C(C)(C)C1 ZINC001302034791 1066403825 /nfs/dbraw/zinc/40/38/25/1066403825.db2.gz CSMZVYPMVHEVOS-NRFANRHFSA-N 0 3 462.683 3.189 20 0 JGADHN CC(C)(C)c1nnc(Cn2c(Cc3ccccn3)nnc2N2CCN(C(C)(C)C)CC2)s1 ZINC001302044510 1066425830 /nfs/dbraw/zinc/42/58/30/1066425830.db2.gz ONKHVYKZLWSUIU-UHFFFAOYSA-N 0 3 454.648 3.382 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCC[C@](C)(OC)C2)n1C[C@@H](C)N1CCc2ccccc2C1 ZINC001302056220 1066451589 /nfs/dbraw/zinc/45/15/89/1066451589.db2.gz YFXBUYITNFUWGP-YPCDYVTLSA-N 0 3 471.646 3.454 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCC[C@](C)(OC)C2)n1C[C@H](C)N1CCc2ccccc2C1 ZINC001302056218 1066451618 /nfs/dbraw/zinc/45/16/18/1066451618.db2.gz YFXBUYITNFUWGP-UZINWLIJSA-N 0 3 471.646 3.454 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1csc([C@@H](C)OC)n1 ZINC001302082371 1066502317 /nfs/dbraw/zinc/50/23/17/1066502317.db2.gz XUCXTDKOCGWJHU-DLBZAZTESA-N 0 3 466.652 3.135 20 0 JGADHN CC(=O)N(C)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 ZINC001301639911 1066503941 /nfs/dbraw/zinc/50/39/41/1066503941.db2.gz JVTJGJULLHMSNZ-DEOSSOPVSA-N 0 3 479.604 3.153 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CCc1nc(C)c(C)s1 ZINC001302091924 1066520161 /nfs/dbraw/zinc/52/01/61/1066520161.db2.gz HBWAATAYINQTSK-HKUYNNGSSA-N 0 3 492.690 3.008 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCN(CC(C)C)CC2)n1Cc1nc2c(s1)C[C@H](C)CC2 ZINC001302092332 1066520693 /nfs/dbraw/zinc/52/06/93/1066520693.db2.gz ILHJEIIDYMOYAL-MOPGFXCFSA-N 0 3 476.691 3.410 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCN(CC(C)C)CC2)n1Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001302092335 1066520804 /nfs/dbraw/zinc/52/08/04/1066520804.db2.gz ILHJEIIDYMOYAL-OALUTQOASA-N 0 3 476.691 3.410 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCN(CC(C)C)CC2)n1Cc1ccc2c(n1)CCCC2 ZINC001302094295 1066522733 /nfs/dbraw/zinc/52/27/33/1066522733.db2.gz PNROYNUXBZBVPI-FQEVSTJZSA-N 0 3 456.635 3.102 20 0 JGADHN CC(=O)N1CC[C@H](CN(C)c2nnc([C@H]3CCCO3)n2C[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC001301663044 1066535587 /nfs/dbraw/zinc/53/55/87/1066535587.db2.gz GKPWYSWKBDFVSZ-AKIFATBCSA-N 0 3 454.619 3.046 20 0 JGADHN CC(=O)N1CC[C@@H](CN(C)c2nnc([C@H]3CCCO3)n2C[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC001301663046 1066535668 /nfs/dbraw/zinc/53/56/68/1066535668.db2.gz GKPWYSWKBDFVSZ-MDNUFGMLSA-N 0 3 454.619 3.046 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(CC(C)(C)C)n3Cc3nc(C)c(C)s3)C[C@@H]2C)CC1 ZINC001301707591 1066598413 /nfs/dbraw/zinc/59/84/13/1066598413.db2.gz DIKUQEVNTQWCOF-UWJYYQICSA-N 0 3 487.718 3.367 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)(C)C)n3CCC3CCOCC3)C[C@@H]2C)CC1 ZINC001301708248 1066599814 /nfs/dbraw/zinc/59/98/14/1066599814.db2.gz KHKJKRRVRNFVTA-NZQKXSOJSA-N 0 3 474.694 3.062 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(CC(C)(C)C)n3CCC3CCOCC3)C[C@@H]2C)CC1 ZINC001301708250 1066600021 /nfs/dbraw/zinc/60/00/21/1066600021.db2.gz KHKJKRRVRNFVTA-REWPJTCUSA-N 0 3 474.694 3.062 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)(C)C)n3CCCN(C)c3ccccc3)C[C@H]2C)CC1 ZINC001301708394 1066600539 /nfs/dbraw/zinc/60/05/39/1066600539.db2.gz MKLPCNDGYXXGOB-RDGATRHJSA-N 0 3 495.716 3.481 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(-c4ccccc4F)n3CCCOC(C)C)C[C@H]2C)CC1 ZINC001301708327 1066600729 /nfs/dbraw/zinc/60/07/29/1066600729.db2.gz LKBVBWGUEPJBBO-YKSBVNFPSA-N 0 3 486.636 3.278 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4ccccc4F)n3CCCOC(C)C)C[C@@H]2C)CC1 ZINC001301708324 1066600799 /nfs/dbraw/zinc/60/07/99/1066600799.db2.gz LKBVBWGUEPJBBO-GBXCKJPGSA-N 0 3 486.636 3.278 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(CC(C)C)n3CC(C)(C)c3ccccn3)C[C@H]2C)CC1 ZINC001301708499 1066601255 /nfs/dbraw/zinc/60/12/55/1066601255.db2.gz OBYVNNVQYIWVKQ-GGAORHGYSA-N 0 3 481.689 3.228 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cccc(C)n4)n3CCOCCC(C)C)C[C@@H]2C)CC1 ZINC001301708475 1066601407 /nfs/dbraw/zinc/60/14/07/1066601407.db2.gz NOKLBKZTPRFCEK-SQJMNOBHSA-N 0 3 497.688 3.090 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)(C)C)n3CCCNc3ccccn3)C[C@@H]2C)CC1 ZINC001301708997 1066602069 /nfs/dbraw/zinc/60/20/69/1066602069.db2.gz RCLIPVZCNOTJPL-JTHBVZDNSA-N 0 3 496.704 3.143 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)C)n3C[C@H]3CCCCS3)C[C@@H]2C)CC1 ZINC001301709378 1066602781 /nfs/dbraw/zinc/60/27/81/1066602781.db2.gz UQTJDSIRTPBQSX-KSEOMHKRSA-N 0 3 462.708 3.141 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)C)n3C[C@@H]3CCCCS3)C[C@H]2C)CC1 ZINC001301709375 1066602798 /nfs/dbraw/zinc/60/27/98/1066602798.db2.gz UQTJDSIRTPBQSX-BAGYTPMASA-N 0 3 462.708 3.141 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3CCCC(F)(F)F)C[C@H]2C)CC1 ZINC001301709603 1066603708 /nfs/dbraw/zinc/60/37/08/1066603708.db2.gz UVHILTQHJRXZKH-SJLPKXTDSA-N 0 3 458.573 3.297 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)C)n3CCOc3c(C)cccc3C)C[C@H]2C)CC1 ZINC001301710128 1066604110 /nfs/dbraw/zinc/60/41/10/1066604110.db2.gz XEBGOHMAAZXXKX-VWNXMTODSA-N 0 3 482.673 3.476 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3CCOc3c(C)cccc3C)C[C@H]2C)CC1 ZINC001301710123 1066604207 /nfs/dbraw/zinc/60/42/07/1066604207.db2.gz XEBGOHMAAZXXKX-ISKFKSNPSA-N 0 3 482.673 3.476 20 0 JGADHN CC(C)(C)Cc1nnc(N2CCC[C@H](CC(N)=O)C2)n1CCCN1CCc2ccccc2C1 ZINC001302153557 1066607599 /nfs/dbraw/zinc/60/75/99/1066607599.db2.gz DVRKSEQUJYUUMB-HXUWFJFHSA-N 0 3 452.647 3.407 20 0 JGADHN COCCN(C)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001301722392 1066630375 /nfs/dbraw/zinc/63/03/75/1066630375.db2.gz OUXCKUWGPUETCU-WPYSJIMHSA-N 0 3 471.646 3.210 20 0 JGADHN COCCN(C)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001301722459 1066630391 /nfs/dbraw/zinc/63/03/91/1066630391.db2.gz QRTPCBUEAKXGHK-NQIIRXRSSA-N 0 3 463.598 3.387 20 0 JGADHN COCCN(C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC[C@@H]2CC[C@@H]21 ZINC001301732860 1066652597 /nfs/dbraw/zinc/65/25/97/1066652597.db2.gz VYJQNDPJKWOQIQ-CTNGQTDRSA-N 0 3 476.666 3.350 20 0 JGADHN COCCN(C)CCn1c(C2CCC2)nnc1N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC001301733245 1066653374 /nfs/dbraw/zinc/65/33/74/1066653374.db2.gz XEWXRKUAONGHBZ-HXUWFJFHSA-N 0 3 451.974 3.494 20 0 JGADHN COCCN(C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 ZINC001301733494 1066653948 /nfs/dbraw/zinc/65/39/48/1066653948.db2.gz GMAPMDXBEMYAIU-LJQANCHMSA-N 0 3 473.572 3.072 20 0 JGADHN COCCN(C)CCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 ZINC001301733781 1066654721 /nfs/dbraw/zinc/65/47/21/1066654721.db2.gz IXFVWEILQJXOTF-DEOSSOPVSA-N 0 3 465.646 3.410 20 0 JGADHN CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](c2cccs2)N(C)C)[C@H](C)C1 ZINC001301734648 1066655308 /nfs/dbraw/zinc/65/53/08/1066655308.db2.gz QPLJCEGSTOATAZ-XLIONFOSSA-N 0 3 453.616 3.070 20 0 JGADHN CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2ccc(C)cc2)N(C)C)[C@H](C)C1 ZINC001301734592 1066656006 /nfs/dbraw/zinc/65/60/06/1066656006.db2.gz XTSIMEKLIWRFBF-OIBXWCBGSA-N 0 3 454.619 3.188 20 0 JGADHN COCCN(C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(c2nccs2)CC1 ZINC001301734975 1066656669 /nfs/dbraw/zinc/65/66/69/1066656669.db2.gz UIVQVKDALADJFM-UHFFFAOYSA-N 0 3 458.607 3.427 20 0 JGADHN COCCN(C)CCn1c(Cn2ccc3ccccc32)nnc1N1CCC=C(Br)C1 ZINC001301735492 1066657264 /nfs/dbraw/zinc/65/72/64/1066657264.db2.gz BNNQSMLTRNAWGI-UHFFFAOYSA-N 0 3 473.419 3.348 20 0 JGADHN COCCN(C)CCn1c(Cc2ccccc2C)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC001301735328 1066657341 /nfs/dbraw/zinc/65/73/41/1066657341.db2.gz YMXWKAJPOWFCFT-UHFFFAOYSA-N 0 3 496.700 3.230 20 0 JGADHN COCCN(C)CCn1c(CNC(=O)c2cccs2)nnc1N1Cc2ccoc2CC(C)(C)C1 ZINC001301735775 1066658070 /nfs/dbraw/zinc/65/80/70/1066658070.db2.gz DIRAHVNJGXFROE-UHFFFAOYSA-N 0 3 486.642 3.030 20 0 JGADHN COCCN(C)CCn1c(Cc2ccncc2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C ZINC001301737126 1066659306 /nfs/dbraw/zinc/65/93/06/1066659306.db2.gz UTIIXEKMAVIPSB-QGZVFWFLSA-N 0 3 456.541 3.244 20 0 JGADHN COCCN(C)CCn1c(COc2ccc(Br)cc2)nnc1N1CCSC[C@@H]1C ZINC001301736905 1066659361 /nfs/dbraw/zinc/65/93/61/1066659361.db2.gz QFIGNEHFLANATQ-INIZCTEOSA-N 0 3 484.464 3.140 20 0 JGADHN COCCN(C)CCn1c(N2CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C ZINC001301739525 1066659982 /nfs/dbraw/zinc/65/99/82/1066659982.db2.gz AIRGGGAARSGGPU-MOPGFXCFSA-N 0 3 466.671 3.283 20 0 JGADHN COCCN(C)CCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@@H]1CCO[C@H]1C(C)(C)C ZINC001301740064 1066660789 /nfs/dbraw/zinc/66/07/89/1066660789.db2.gz IOKZZIWFLHPFRS-KZNAEPCWSA-N 0 3 467.565 3.295 20 0 JGADHN COCCN(C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 ZINC001301741972 1066664455 /nfs/dbraw/zinc/66/44/55/1066664455.db2.gz STMANLUVEZMSEQ-XPWALMASSA-N 0 3 489.636 3.492 20 0 JGADHN CC(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](c2cccs2)N(C)C)CC1 ZINC001301743218 1066666965 /nfs/dbraw/zinc/66/69/65/1066666965.db2.gz DZZCUUFIIRMRHJ-FQEVSTJZSA-N 0 3 456.591 3.041 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2nccs2)CC1 ZINC001302191323 1066674272 /nfs/dbraw/zinc/67/42/72/1066674272.db2.gz ZRZOBKFRXYXKSG-UHFFFAOYSA-N 0 3 468.631 3.183 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)C2CCCCC2)CC1 ZINC001302191789 1066675498 /nfs/dbraw/zinc/67/54/98/1066675498.db2.gz BOUFSUCDLRRSSB-AREMUKBSSA-N 0 3 474.694 3.290 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@](C)(O)C2CCCCC2)CC1 ZINC001302191792 1066675512 /nfs/dbraw/zinc/67/55/12/1066675512.db2.gz BOUFSUCDLRRSSB-SANMLTNESA-N 0 3 474.694 3.290 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ncnn2C(C)(C)C)CC1 ZINC001302193145 1066678946 /nfs/dbraw/zinc/67/89/46/1066678946.db2.gz NWUBEIXTZSIHFJ-IBGZPJMESA-N 0 3 458.655 3.473 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(COc3ccccc3F)n2CCCN2CCOCC2)CC1 ZINC001302194054 1066680209 /nfs/dbraw/zinc/68/02/09/1066680209.db2.gz VOVOXKFYMIJFBW-UHFFFAOYSA-N 0 3 488.652 3.277 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc([C@H]3CCCO3)n2CCNC(=O)c2ccccc2F)CC1 ZINC001302194627 1066682348 /nfs/dbraw/zinc/68/23/48/1066682348.db2.gz HUNRALDDWHBNIB-OAQYLSRUSA-N 0 3 472.609 3.257 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCNC(=O)C2CCC2)CC1 ZINC001302202263 1066697924 /nfs/dbraw/zinc/69/79/24/1066697924.db2.gz HBVDDNYUQLCKGR-UHFFFAOYSA-N 0 3 456.610 3.235 20 0 JGADHN CC(C)(C)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCNc2ccc(C(F)(F)F)cn2)CC1 ZINC001302202824 1066698568 /nfs/dbraw/zinc/69/85/68/1066698568.db2.gz JVWZRQMBOBLXFV-KRWDZBQOSA-N 0 3 494.566 3.066 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccc(O)cc2)CC1 ZINC001302203028 1066699243 /nfs/dbraw/zinc/69/92/43/1066699243.db2.gz NAVRTBGNJQBUKE-UHFFFAOYSA-N 0 3 468.627 3.138 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(C(N)=O)CCCC2)CC1 ZINC001302203092 1066699285 /nfs/dbraw/zinc/69/92/85/1066699285.db2.gz NXZSIAKJNVXIQE-UHFFFAOYSA-N 0 3 475.037 3.477 20 0 JGADHN COCCOCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(C)(C)C)CC1 ZINC001302211730 1066713228 /nfs/dbraw/zinc/71/32/28/1066713228.db2.gz LRFPSPHFGLMECB-UHFFFAOYSA-N 0 3 454.619 3.410 20 0 JGADHN CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCN(C(C)(C)C)CC3)n2CC2(O)CCC2)C1 ZINC001302222500 1066731091 /nfs/dbraw/zinc/73/10/91/1066731091.db2.gz BEJVQHMOPZZFCS-LJQANCHMSA-N 0 3 476.666 3.228 20 0 JGADHN CC(=O)Nc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCN(C(C)(C)C)CC2)cc1 ZINC001301787748 1066736626 /nfs/dbraw/zinc/73/66/26/1066736626.db2.gz CSLNKXKTHPOAKL-UHFFFAOYSA-N 0 3 495.653 3.197 20 0 JGADHN COCCN(Cc1ccco1)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001301788203 1066737689 /nfs/dbraw/zinc/73/76/89/1066737689.db2.gz FEFQABBSGYRGKR-UHFFFAOYSA-N 0 3 488.036 3.266 20 0 JGADHN CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H]1CCCCO1 ZINC001302239726 1066761814 /nfs/dbraw/zinc/76/18/14/1066761814.db2.gz CHNLHIMYEOPHSN-WOJBJXKFSA-N 0 3 492.665 3.076 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1C[C@H](c1ccccc1)N(C)C ZINC001302271204 1066829790 /nfs/dbraw/zinc/82/97/90/1066829790.db2.gz CGJBZTZDDIUBCJ-ZDFPQIBNSA-N 0 3 457.619 3.309 20 0 JGADHN CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@@H](c2cccc(F)c2)N(C)C)C1 ZINC001301858481 1066840969 /nfs/dbraw/zinc/84/09/69/1066840969.db2.gz OWSKDQSAXBBZGB-CVDCTZTESA-N 0 3 467.593 3.078 20 0 JGADHN CC(=O)NC[C@@H]1CCCN(c2nnc(CC(C)C)n2C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC001301867807 1066859050 /nfs/dbraw/zinc/85/90/50/1066859050.db2.gz NFJMJDJZWYYNSH-LOSJGSFVSA-N 0 3 482.673 3.120 20 0 JGADHN COCCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCN2CC=CCC2)CC1 ZINC001301877254 1066879521 /nfs/dbraw/zinc/87/95/21/1066879521.db2.gz LENUNPDFJKVCFG-QHCPKHFHSA-N 0 3 468.646 3.065 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(CC(C)C)CC2)n1CCc1cc(F)cc(F)c1 ZINC001302310398 1066903175 /nfs/dbraw/zinc/90/31/75/1066903175.db2.gz ADXAUMBFPYNFPZ-UGKGYDQZSA-N 0 3 463.573 3.301 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(CC(C)C)CC2)n1CCc1ccccc1OC ZINC001302310583 1066904010 /nfs/dbraw/zinc/90/40/10/1066904010.db2.gz CNTJAPUHXJRFBP-GMAHTHKFSA-N 0 3 457.619 3.031 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(CCC(C)(C)C)CC2)n1CCc1ccncc1 ZINC001302312289 1066907634 /nfs/dbraw/zinc/90/76/34/1066907634.db2.gz YZUZPVZPGYMKTQ-VXKWHMMOSA-N 0 3 456.635 3.198 20 0 JGADHN CC(C)(CN1CCCC1)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001302344924 1066942166 /nfs/dbraw/zinc/94/21/66/1066942166.db2.gz HPYLVFURWWFWGS-LJQANCHMSA-N 0 3 466.051 3.344 20 0 JGADHN CON(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](c1cccs1)N1CCCC1 ZINC001302349156 1066944262 /nfs/dbraw/zinc/94/42/62/1066944262.db2.gz UVCDGAZTOUNVEJ-QZTJIDSGSA-N 0 3 492.646 3.483 20 0 JGADHN CC(C)(CN1CCCC1)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001302349668 1066944864 /nfs/dbraw/zinc/94/48/64/1066944864.db2.gz FNTMQKPCIWXUIY-HXUWFJFHSA-N 0 3 480.078 3.268 20 0 JGADHN CC(=O)NCCCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001301916390 1066947054 /nfs/dbraw/zinc/94/70/54/1066947054.db2.gz LDQLREACTKCNPS-VWLOTQADSA-N 0 3 495.716 3.374 20 0 JGADHN COCCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](c2cccs2)N(C)C)CC1 ZINC001301921232 1066954892 /nfs/dbraw/zinc/95/48/92/1066954892.db2.gz RQUXHQAXETUSHZ-NRFANRHFSA-N 0 3 472.634 3.141 20 0 JGADHN COCCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001301921233 1066954914 /nfs/dbraw/zinc/95/49/14/1066954914.db2.gz RQUXHQAXETUSHZ-OAQYLSRUSA-N 0 3 472.634 3.141 20 0 JGADHN CO[C@@H]1CC[C@@H]2CN(c3nnc(-c4cccc(S(C)(=O)=O)c4)n3C[C@@H](CC(C)C)N(C)C)C[C@H]12 ZINC001302383851 1066967158 /nfs/dbraw/zinc/96/71/58/1066967158.db2.gz LLEWJWNZUIMIGR-YXPKMTABSA-N 0 3 489.686 3.186 20 0 JGADHN CC(C)=CCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001302388742 1066969266 /nfs/dbraw/zinc/96/92/66/1066969266.db2.gz GUNGGKZXBHFESQ-HSZRJFAPSA-N 0 3 466.630 3.265 20 0 JGADHN COCCN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCN2CCCCC2)CC1=O ZINC001301933543 1066973397 /nfs/dbraw/zinc/97/33/97/1066973397.db2.gz PIVOIWZRQJLUNO-UHFFFAOYSA-N 0 3 493.077 3.005 20 0 JGADHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccccn3)n2C[C@H](c2ccsc2)N(C)C)C1 ZINC001301935898 1066977376 /nfs/dbraw/zinc/97/73/76/1066977376.db2.gz BAAIBCRCBLCUHW-WOIUINJBSA-N 0 3 497.669 3.072 20 0 JGADHN CO[C@@H]1CN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCN2CCCCC2)C[C@@H]1OC ZINC001302407532 1066989028 /nfs/dbraw/zinc/98/90/28/1066989028.db2.gz QLIXNVNHXWVEMQ-ACIOBRDBSA-N 0 3 457.619 3.371 20 0 JGADHN CO[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCN(C)Cc2ccc(F)cc2)C[C@@H]1OC ZINC001302419630 1067004555 /nfs/dbraw/zinc/00/45/55/1067004555.db2.gz MMLYHPRHZUEXAN-OYRHEFFESA-N 0 3 459.591 3.052 20 0 JGADHN CC1=C(Br)CN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCCC2)CC1 ZINC001303998666 1067040791 /nfs/dbraw/zinc/04/07/91/1067040791.db2.gz BYRVWXHSEQJKPO-UHFFFAOYSA-N 0 3 474.407 3.290 20 0 JGADHN CC1=C(Br)CN(c2nnc([C@H]3CCCCO3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001304004115 1067046692 /nfs/dbraw/zinc/04/66/92/1067046692.db2.gz OWZZHMLZDSJUBZ-LJQANCHMSA-N 0 3 481.483 3.425 20 0 JGADHN Cc1occc1C(=O)NC1CCN(c2nnc(C)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 ZINC001304006188 1067049050 /nfs/dbraw/zinc/04/90/50/1067049050.db2.gz ONYYKSCSHJNXEP-QFIPXVFZSA-N 0 3 454.550 3.329 20 0 JGADHN CS(=O)(=O)CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CCCCC2)CC1 ZINC001302450345 1067050801 /nfs/dbraw/zinc/05/08/01/1067050801.db2.gz RSEDPMNJBXUKDF-NRFANRHFSA-N 0 3 467.680 3.189 20 0 JGADHN CS(=O)(=O)CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C2CCCCC2)CC1 ZINC001302450346 1067050908 /nfs/dbraw/zinc/05/09/08/1067050908.db2.gz RSEDPMNJBXUKDF-OAQYLSRUSA-N 0 3 467.680 3.189 20 0 JGADHN Cc1cccc(O[C@@H](C)c2nnc(N3CC[C@](C)(C(N)=O)C3)n2CCN2CCCCC2)c1C ZINC001304019491 1067063560 /nfs/dbraw/zinc/06/35/60/1067063560.db2.gz JTSRAKYGEWGGCY-CPJSRVTESA-N 0 3 454.619 3.223 20 0 JGADHN CC(C)C(=O)NCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C2CCCC2)CC1 ZINC001302462952 1067068122 /nfs/dbraw/zinc/06/81/22/1067068122.db2.gz UQDFHMXKCOSPPR-UHFFFAOYSA-N 0 3 476.572 3.383 20 0 JGADHN CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC001302467359 1067071025 /nfs/dbraw/zinc/07/10/25/1067071025.db2.gz ACELGKXIVUQKFC-XLIONFOSSA-N 0 3 452.382 3.499 20 0 JGADHN CN(C[C@H](O)COc1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CCCN(Cc2cccnc2)C1 ZINC001302467358 1067071142 /nfs/dbraw/zinc/07/11/42/1067071142.db2.gz ACELGKXIVUQKFC-PXNSSMCTSA-N 0 3 452.382 3.499 20 0 JGADHN CC(C)C(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001302487386 1067086795 /nfs/dbraw/zinc/08/67/95/1067086795.db2.gz PQQIUCQLMKCGBI-IBGZPJMESA-N 0 3 474.675 3.110 20 0 JGADHN CC(C)C(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001302487387 1067086860 /nfs/dbraw/zinc/08/68/60/1067086860.db2.gz PQQIUCQLMKCGBI-LJQANCHMSA-N 0 3 474.675 3.110 20 0 JGADHN CC(C)[C@@](C)(O)Cn1c(CCCc2ccccc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001302499456 1067097585 /nfs/dbraw/zinc/09/75/85/1067097585.db2.gz BPDMFLBSCXVOIR-OZXSUGGESA-N 0 3 455.647 3.019 20 0 JGADHN Cc1occc1CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccs1)N1CCCC1 ZINC001304082173 1067128781 /nfs/dbraw/zinc/12/87/81/1067128781.db2.gz WMSOHPRJHSVGKB-APWZRJJASA-N 0 3 492.671 3.325 20 0 JGADHN CC(C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)N1CCCC1 ZINC001302515629 1067133722 /nfs/dbraw/zinc/13/37/22/1067133722.db2.gz ZPRPGOYZOGLVKP-OALUTQOASA-N 0 3 481.066 3.127 20 0 JGADHN CC(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(F)(F)F)CC1)N1CCCC1 ZINC001302522891 1067142798 /nfs/dbraw/zinc/14/27/98/1067142798.db2.gz GGWDYTMKFUQQSA-MOPGFXCFSA-N 0 3 491.624 3.469 20 0 JGADHN CC(C)[C@H](Cn1c(N2CCC(CCCN3CCOCC3)CC2)nnc1C(C)(C)C)N1CCOCC1 ZINC001302529007 1067157176 /nfs/dbraw/zinc/15/71/76/1067157176.db2.gz PWECYKXWAPTWOQ-DEOSSOPVSA-N 0 3 490.737 3.261 20 0 JGADHN CC(C)[C@@H](Cn1c(N2CCN(C(=O)c3ccc([O-])cc3)CC2)nnc1C(C)(C)C)[NH+]1CCCC1 ZINC001302532092 1067161339 /nfs/dbraw/zinc/16/13/39/1067161339.db2.gz TZJACLCMAZEDOU-JOCHJYFZSA-N 0 3 468.646 3.364 20 0 JGADHN Cc1c(Cl)cccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001304128671 1067166733 /nfs/dbraw/zinc/16/67/33/1067166733.db2.gz RUQJTQZIKRALPS-OAQYLSRUSA-N 0 3 488.080 3.031 20 0 JGADHN Cc1c(Cl)cccc1Cn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1C(C)(C)C ZINC001304133738 1067172011 /nfs/dbraw/zinc/17/20/11/1067172011.db2.gz YADTXSHGZHVNPP-HXUWFJFHSA-N 0 3 459.038 3.329 20 0 JGADHN CS[C@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001302548635 1067185421 /nfs/dbraw/zinc/18/54/21/1067185421.db2.gz RYGQWXALAUQPJZ-AEFFLSMTSA-N 0 3 496.523 3.392 20 0 JGADHN CS[C@@H](C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001302548636 1067185487 /nfs/dbraw/zinc/18/54/87/1067185487.db2.gz RYGQWXALAUQPJZ-FUHWJXTLSA-N 0 3 496.523 3.392 20 0 JGADHN Cc1cc([C@](C)(O)Cn2c(CC(C)C)nnc2N2CC[C@H](N3CCN(C(C)C)CC3)C2)c(C)o1 ZINC001304152341 1067199286 /nfs/dbraw/zinc/19/92/86/1067199286.db2.gz MNEMJSGLRDAPFZ-BKMJKUGQSA-N 0 3 472.678 3.199 20 0 JGADHN Cc1cc([C@](C)(O)Cn2c(N3CCN(CC(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)c(C)o1 ZINC001304157151 1067205198 /nfs/dbraw/zinc/20/51/98/1067205198.db2.gz WCZLRIZQRJPVET-FTJBHMTQSA-N 0 3 489.661 3.214 20 0 JGADHN Cc1cc(C)c(Cn2c(N3CCN(C(=O)[C@@H]4CCCN4C)CC3)nnc2C(C)(C)C)c(C)c1 ZINC001304163456 1067210417 /nfs/dbraw/zinc/21/04/17/1067210417.db2.gz YVRSKBQWYJAIGO-QFIPXVFZSA-N 0 3 452.647 3.292 20 0 JGADHN CS[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC2CCOCC2)CC1)C(C)(C)C ZINC001302578903 1067216793 /nfs/dbraw/zinc/21/67/93/1067216793.db2.gz NEBWSXCOBSPZPJ-FQEVSTJZSA-N 0 3 461.680 3.005 20 0 JGADHN Cc1cc(C)cc(OCc2nnc(N(C)Cc3ccon3)n2CCN2CCN(C)C(C)(C)C2)c1 ZINC001304169846 1067217659 /nfs/dbraw/zinc/21/76/59/1067217659.db2.gz XDXIEUUEHVATBF-UHFFFAOYSA-N 0 3 467.618 3.124 20 0 JGADHN CC(C)c1nnc(N(C)Cc2ncnn2CC(F)F)n1C[C@@H](C)N1CCc2ccccc2C1 ZINC001302588006 1067225451 /nfs/dbraw/zinc/22/54/51/1067225451.db2.gz PFICYGRPMZBOMM-QGZVFWFLSA-N 0 3 458.561 3.341 20 0 JGADHN CS[C@H](Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1)C(C)(C)C ZINC001302589831 1067226652 /nfs/dbraw/zinc/22/66/52/1067226652.db2.gz BWQFNSADZNGKOR-FVTFTPSCSA-N 0 3 492.734 3.286 20 0 JGADHN CS[C@H](Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1)C(C)(C)C ZINC001302590045 1067227176 /nfs/dbraw/zinc/22/71/76/1067227176.db2.gz BWQFNSADZNGKOR-ZHHKINOHSA-N 0 3 492.734 3.286 20 0 JGADHN Cc1cc(C)cc(OCc2nnc(N3CCC[C@@H]3C)n2CCCN2CCC[C@H]2C(=O)N(C)C)c1 ZINC001304178405 1067227664 /nfs/dbraw/zinc/22/76/64/1067227664.db2.gz IMDZHXLZNWOGIY-GMAHTHKFSA-N 0 3 468.646 3.405 20 0 JGADHN Cc1cc(C)cc(OCc2nnc(N3CCN(CC(C)C)CC3)n2CCN2CCOC(C)(C)C2)c1 ZINC001304181757 1067230690 /nfs/dbraw/zinc/23/06/90/1067230690.db2.gz FEWCRVUQZHWOBS-UHFFFAOYSA-N 0 3 484.689 3.363 20 0 JGADHN Cc1cc(C)cc(OCc2nnc(N3CCN(CCC(C)(C)C)CC3)n2CC(=O)N(C)C)c1 ZINC001304182463 1067231914 /nfs/dbraw/zinc/23/19/14/1067231914.db2.gz NVTYRTBRJZWMQB-UHFFFAOYSA-N 0 3 456.635 3.120 20 0 JGADHN CC(C)c1nnc(N2CCC(C(=O)Nc3ccccc3)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001302614384 1067247807 /nfs/dbraw/zinc/24/78/07/1067247807.db2.gz JZYQBMKKUPKSNJ-UHFFFAOYSA-N 0 3 467.662 3.283 20 0 JGADHN CC(C)c1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1Cc1ccc(NC(=O)N(C)C)cc1 ZINC001302632178 1067261052 /nfs/dbraw/zinc/26/10/52/1067261052.db2.gz ALJHKIYIUQSDJK-QHCPKHFHSA-N 0 3 482.677 3.148 20 0 JGADHN CC(C)c1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CCc1nccc(C(F)(F)F)n1 ZINC001302633473 1067262579 /nfs/dbraw/zinc/26/25/79/1067262579.db2.gz NNBIPUMMHVQNLQ-SFHVURJKSA-N 0 3 480.583 3.058 20 0 JGADHN CC(C)c1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CCc1nccc(C(F)(F)F)n1 ZINC001302633472 1067262596 /nfs/dbraw/zinc/26/25/96/1067262596.db2.gz NNBIPUMMHVQNLQ-GOSISDBHSA-N 0 3 480.583 3.058 20 0 JGADHN CSc1cc(Cn2c(C)nnc2N2CCN(CCN(C)Cc3ccccc3)CC2)ccn1 ZINC001302636418 1067266114 /nfs/dbraw/zinc/26/61/14/1067266114.db2.gz IYPJGKXDGACOLD-UHFFFAOYSA-N 0 3 451.644 3.006 20 0 JGADHN Cc1ccc([C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](c3ccco3)C2)N(C)C)cc1 ZINC001304274975 1067312033 /nfs/dbraw/zinc/31/20/33/1067312033.db2.gz OWYMQWDOZVDKQY-GIVPXCGWSA-N 0 3 486.642 3.087 20 0 JGADHN CC(C)c1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001302689151 1067313592 /nfs/dbraw/zinc/31/35/92/1067313592.db2.gz IRAMGOQRPKJRST-XMMPIXPASA-N 0 3 499.679 3.414 20 0 JGADHN Cc1ccc([C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)N(C)C)cc1 ZINC001304276035 1067314176 /nfs/dbraw/zinc/31/41/76/1067314176.db2.gz RZQROOSOXFLBAN-YZIHRLCOSA-N 0 3 468.646 3.482 20 0 JGADHN Cc1ccc([C@@H](Cn2c([C@H]3CCCOC3)nnc2N2CCN(CC(C)C)C(=O)C2)N(C)C)cc1 ZINC001304277988 1067317338 /nfs/dbraw/zinc/31/73/38/1067317338.db2.gz HQRBSRIMMOFBNW-XZOQPEGZSA-N 0 3 468.646 3.088 20 0 JGADHN CC(C)c1nnc(N2CCN(CC3CCOCC3)CC2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001302693562 1067318514 /nfs/dbraw/zinc/31/85/14/1067318514.db2.gz ULSHRWMQHYVVIK-QHCPKHFHSA-N 0 3 481.563 3.400 20 0 JGADHN CC(C)c1nnc(N2CCN(CCN(C)Cc3ccccc3)CC2)n1C[C@@H]1CCOC[C@H]1C ZINC001302697761 1067323091 /nfs/dbraw/zinc/32/30/91/1067323091.db2.gz IDOCMITYHDXDDC-VWNXMTODSA-N 0 3 454.663 3.328 20 0 JGADHN CC(C)c1nnc(N2CCN(CCN(C)Cc3ccccc3)CC2)n1CCC(=O)N1CCCCCC1 ZINC001302701062 1067325677 /nfs/dbraw/zinc/32/56/77/1067325677.db2.gz YPTQHJXIVHRSQV-UHFFFAOYSA-N 0 3 495.716 3.448 20 0 JGADHN CSC[C@@H]1CCCN1c1nnc(CC(C)(C)C)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001302707413 1067329190 /nfs/dbraw/zinc/32/91/90/1067329190.db2.gz QOTURGJOQCHENW-OALUTQOASA-N 0 3 450.697 3.141 20 0 JGADHN Cc1ccc(C)c(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@H](C(C)C)N2CCCC2)c1 ZINC001304289120 1067334054 /nfs/dbraw/zinc/33/40/54/1067334054.db2.gz SNIZJUYSFJFJHI-FCHUYYIVSA-N 0 3 489.686 3.218 20 0 JGADHN Cc1c(Cn2c(COc3cc(C)ccc3C)nnc2N2CCN(CC(C)C)CC2)cnn1C ZINC001304291416 1067339094 /nfs/dbraw/zinc/33/90/94/1067339094.db2.gz MEKWBSMNIOOPQV-UHFFFAOYSA-N 0 3 451.619 3.342 20 0 JGADHN CC(C)[C@H]1CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(N(C)C)CCOCC1 ZINC001302735957 1067348777 /nfs/dbraw/zinc/34/87/77/1067348777.db2.gz DPLFVCJJMRCIJF-OAQYLSRUSA-N 0 3 475.659 3.084 20 0 JGADHN CSCCCCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001302743965 1067353781 /nfs/dbraw/zinc/35/37/81/1067353781.db2.gz IJKJYNDMXGDKFV-OAQYLSRUSA-N 0 3 474.650 3.360 20 0 JGADHN Cc1ccc(-c2nnc(N3CCN(C4CCCC4)CC3)n2CC(=O)N(C)C)cc1Br ZINC001304324775 1067373590 /nfs/dbraw/zinc/37/35/90/1067373590.db2.gz JPXXPVHYVNGJLQ-UHFFFAOYSA-N 0 3 475.435 3.169 20 0 JGADHN Cc1ccc(-c2nnc(N3CCN(CCOC(C)C)CC3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)o1 ZINC001304325475 1067374411 /nfs/dbraw/zinc/37/44/11/1067374411.db2.gz VIYQFPRZCIYLHR-SZPZYZBQSA-N 0 3 488.677 3.281 20 0 JGADHN CC(C)C[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)N(C)C ZINC001302809628 1067398395 /nfs/dbraw/zinc/39/83/95/1067398395.db2.gz YDXZZDLRPLGQCV-VQTJNVASSA-N 0 3 470.643 3.093 20 0 JGADHN Cc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCN(CC(C)C)CC2)s1 ZINC001304363187 1067401447 /nfs/dbraw/zinc/40/14/47/1067401447.db2.gz ZDWHNUPDAKKJOR-UHFFFAOYSA-N 0 3 458.657 3.466 20 0 JGADHN CC(C)Cc1nnc(N(C)Cc2ccc(C(=O)NC3CC3)cc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001302841352 1067427957 /nfs/dbraw/zinc/42/79/57/1067427957.db2.gz KSISMSBOISEPOR-UHFFFAOYSA-N 0 3 481.689 3.031 20 0 JGADHN C[C@@H]1CN(C2CCOCC2)CCN1c1nnc([C@H]2CCCO2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001302865699 1067446654 /nfs/dbraw/zinc/44/66/54/1067446654.db2.gz DOLSAXDMYVVWHE-UYAOXDASSA-N 0 3 492.665 3.122 20 0 JGADHN CC(C)Cc1nnc(N2CCC(C(=O)c3cccs3)CC2)n1C[C@H]1CCCN1CCCO ZINC001302872297 1067454990 /nfs/dbraw/zinc/45/49/90/1067454990.db2.gz KUCYQROTPRJAAS-HXUWFJFHSA-N 0 3 459.660 3.484 20 0 JGADHN CC(C)Cc1nnc(N2CCC(CC(=O)N(C)C)CC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001302886083 1067466747 /nfs/dbraw/zinc/46/67/47/1067466747.db2.gz GTSJOIOBKPPFJD-RUZDIDTESA-N 0 3 496.700 3.462 20 0 JGADHN CC(C)Cc1nnc(N2CC[C@H](Cc3ccccc3)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001302888503 1067468389 /nfs/dbraw/zinc/46/83/89/1067468389.db2.gz BHNJEKLIYUWKDA-RPWUZVMVSA-N 0 3 466.674 3.488 20 0 JGADHN Cc1ccc(OCc2nnc(N3CC[C@H](OCC(C)C)C3)n2CCN2CCN(C)C(C)(C)C2)cc1 ZINC001304410466 1067476537 /nfs/dbraw/zinc/47/65/37/1067476537.db2.gz FNEHTIYTTGMNAU-DEOSSOPVSA-N 0 3 484.689 3.443 20 0 JGADHN C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCN(C)Cc2ccccc2)C[C@H](C)O1 ZINC001302898442 1067480099 /nfs/dbraw/zinc/48/00/99/1067480099.db2.gz GCAHJAWVKJHMHT-KDURUIRLSA-N 0 3 468.627 3.015 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(C(C)(C)C)CC3)n2CCCC(=O)NC2CC2)cc1C ZINC001304414831 1067485121 /nfs/dbraw/zinc/48/51/21/1067485121.db2.gz JVCHNNRRJVWVTN-UHFFFAOYSA-N 0 3 468.646 3.453 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2CC(C)(C)CN(C)C)cc1C ZINC001304416193 1067487726 /nfs/dbraw/zinc/48/77/26/1067487726.db2.gz MBPUVAOAPYZVAW-NRFANRHFSA-N 0 3 477.675 3.075 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2CC(C)(C)CN(C)C)cc1C ZINC001304416194 1067487761 /nfs/dbraw/zinc/48/77/61/1067487761.db2.gz MBPUVAOAPYZVAW-OAQYLSRUSA-N 0 3 477.675 3.075 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(C(C)(C)C)CC3)n2CC2CCS(=O)(=O)CC2)cc1C ZINC001304416352 1067488244 /nfs/dbraw/zinc/48/82/44/1067488244.db2.gz YKCZTICVKLUDCP-UHFFFAOYSA-N 0 3 489.686 3.219 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(CC4CCOCC4)CC3)n2CCOC(C)C)cc1 ZINC001304418413 1067492249 /nfs/dbraw/zinc/49/22/49/1067492249.db2.gz HYJZRSUWGIYAIC-UHFFFAOYSA-N 0 3 457.619 3.139 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(CC(C)C)CC3)n2CCCc2cnn(C)n2)cc1C ZINC001304418293 1067492277 /nfs/dbraw/zinc/49/22/77/1067492277.db2.gz FHKLHAHWYNUBJH-UHFFFAOYSA-N 0 3 466.634 3.013 20 0 JGADHN CC(C)Cc1nnc(N2CCC[C@H](N3CCCC3=O)C2)n1CCN(C)Cc1ccc(F)cc1 ZINC001302922212 1067502394 /nfs/dbraw/zinc/50/23/94/1067502394.db2.gz BGFFRYNIELZJOJ-QFIPXVFZSA-N 0 3 456.610 3.339 20 0 JGADHN CC(C)Cc1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC001302932007 1067507562 /nfs/dbraw/zinc/50/75/62/1067507562.db2.gz ROZHJANNWDCHRN-QTEQDKRBSA-N 0 3 453.697 3.391 20 0 JGADHN CC(C)Cc1nnc(N2CCCO[C@@H](c3ccccc3)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001302937061 1067510162 /nfs/dbraw/zinc/51/01/62/1067510162.db2.gz HYWREIKTLPNODG-DNQXCXABSA-N 0 3 482.673 3.387 20 0 JGADHN CC(C)Cc1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1C[C@H](c1cccs1)N(C)C ZINC001302937796 1067511313 /nfs/dbraw/zinc/51/13/13/1067511313.db2.gz CHRJRDPVPOPSJC-NHCUHLMSSA-N 0 3 460.692 3.390 20 0 JGADHN CC(C)Cc1nnc(N2CCC[C@@H](CN3CCOCC3)C2)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001302938528 1067512083 /nfs/dbraw/zinc/51/20/83/1067512083.db2.gz SDGZQFGFJGRHON-URXFXBBRSA-N 0 3 472.653 3.467 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)n1C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001302940318 1067514710 /nfs/dbraw/zinc/51/47/10/1067514710.db2.gz ZGFHMBJSOHZJJG-OAQYLSRUSA-N 0 3 468.646 3.265 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)n1C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001302940318 1067514719 /nfs/dbraw/zinc/51/47/19/1067514719.db2.gz ZGFHMBJSOHZJJG-OAQYLSRUSA-N 0 3 468.646 3.265 20 0 JGADHN Cc1ccc(SCc2nnc(N3CCN(C(C)(C)C)CC3)n2Cc2ccc(C(N)=O)nc2)cc1 ZINC001304437595 1067516921 /nfs/dbraw/zinc/51/69/21/1067516921.db2.gz FBGDMKVOQYCILR-UHFFFAOYSA-N 0 3 479.654 3.342 20 0 JGADHN FC(F)(F)SCCn1c(Cc2ccccn2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001302944203 1067517103 /nfs/dbraw/zinc/51/71/03/1067517103.db2.gz CUGUYTBUZSYYJK-UHFFFAOYSA-N 0 3 470.565 3.066 20 0 JGADHN FC(F)C(F)(F)CN1CCN(c2nnc([C@@H]3CCCCO3)n2CCN2CCCCC2)CC1 ZINC001302945970 1067519211 /nfs/dbraw/zinc/51/92/11/1067519211.db2.gz XVUDRCXHOKIDFN-KRWDZBQOSA-N 0 3 462.536 3.028 20 0 JGADHN Cc1ccc(SCCn2c(CN3CCCC3=O)nnc2N2CCN(C(C)(C)C)CC2)cc1 ZINC001304440989 1067521439 /nfs/dbraw/zinc/52/14/39/1067521439.db2.gz OEOVCUMXQOUJPL-UHFFFAOYSA-N 0 3 456.660 3.422 20 0 JGADHN Cc1ccc(SCc2nnc(N3CCS(=O)(=O)CC3)n2CCCN2C[C@H](C)C[C@H](C)C2)cc1 ZINC001304441074 1067521831 /nfs/dbraw/zinc/52/18/31/1067521831.db2.gz QPEGVQNZTDYAMB-OYRHEFFESA-N 0 3 491.727 3.482 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C3Cc4ccccc4C3)CC2)n1CCNC(=O)OC(C)(C)C ZINC001302953681 1067525618 /nfs/dbraw/zinc/52/56/18/1067525618.db2.gz ARMWFLOHLIKEHK-UHFFFAOYSA-N 0 3 468.646 3.291 20 0 JGADHN CC(C)Cc1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1C[C@@H](c1ccccc1)N(C)C ZINC001302958491 1067530147 /nfs/dbraw/zinc/53/01/47/1067530147.db2.gz DJNSEHFDTBLTRJ-VWLOTQADSA-N 0 3 495.716 3.304 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C[C@H]3CCCO3)CC2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001302964800 1067534958 /nfs/dbraw/zinc/53/49/58/1067534958.db2.gz JLSKXIVTPMUHIS-DHIUTWEWSA-N 0 3 458.626 3.220 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCCN(C)c1ccccc1F ZINC001302964441 1067535038 /nfs/dbraw/zinc/53/50/38/1067535038.db2.gz GFLZKMXCNLCVCR-OAQYLSRUSA-N 0 3 458.626 3.301 20 0 JGADHN CC(C)Cc1nnc(N2CCS(=O)(=O)C3(CCCCC3)C2)n1CC1(N(C)C)CCCC1 ZINC001302981492 1067546177 /nfs/dbraw/zinc/54/61/77/1067546177.db2.gz DPZNJLVVQFEWFG-UHFFFAOYSA-N 0 3 451.681 3.289 20 0 JGADHN CC(C)C[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)N2CCc3ccccc3C2)C1 ZINC001302990445 1067551958 /nfs/dbraw/zinc/55/19/58/1067551958.db2.gz FFXXPSCATPLMPE-ACRUOGEOSA-N 0 3 488.702 3.208 20 0 JGADHN Cc1cccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CC(=O)N(C)Cc2ccccc2)n1 ZINC001304476611 1067554654 /nfs/dbraw/zinc/55/46/54/1067554654.db2.gz ITEOJIGKRWZLKQ-UHFFFAOYSA-N 0 3 461.614 3.228 20 0 JGADHN Cc1cccc(-c2nnc(N3CCCN(C(=O)OCC(C)C)CC3)n2CCN2CC=CCC2)n1 ZINC001304479642 1067559094 /nfs/dbraw/zinc/55/90/94/1067559094.db2.gz ZDKRVTHPUOEXFC-UHFFFAOYSA-N 0 3 467.618 3.215 20 0 JGADHN Cc1cccc(OCc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2C[C@@H](c2cccs2)N(C)C)c1 ZINC001304511051 1067586238 /nfs/dbraw/zinc/58/62/38/1067586238.db2.gz GKQMLGSEKLMLTA-ICSRJNTNSA-N 0 3 468.627 3.197 20 0 JGADHN Cc1cccc(OCc2nnc(N3CCN(CC4CCOCC4)CC3)n2CC(F)(F)F)c1 ZINC001304511599 1067587576 /nfs/dbraw/zinc/58/75/76/1067587576.db2.gz GMAUOYONQHRYOW-UHFFFAOYSA-N 0 3 453.509 3.276 20 0 JGADHN Cc1cccc(OCc2nnc(N3CCN(CC(F)(F)F)CC3)n2CCN2CCCCC2)c1 ZINC001304511836 1067587938 /nfs/dbraw/zinc/58/79/38/1067587938.db2.gz IABSTBMEAQSADZ-UHFFFAOYSA-N 0 3 466.552 3.336 20 0 JGADHN Cc1cccc(OCc2nnc(N3CCN(C4CCOCC4)C[C@@H]3C)n2CCOCC(F)F)c1 ZINC001304512197 1067588540 /nfs/dbraw/zinc/58/85/40/1067588540.db2.gz MSQYDGBCFGTOSJ-IBGZPJMESA-N 0 3 479.572 3.137 20 0 JGADHN CC(C)CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCCC1)C1CC1 ZINC001303056993 1067595253 /nfs/dbraw/zinc/59/52/53/1067595253.db2.gz AVSZLYZZQBQCIE-LJQANCHMSA-N 0 3 451.681 3.460 20 0 JGADHN CC(C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001303067936 1067602629 /nfs/dbraw/zinc/60/26/29/1067602629.db2.gz JTANDBWRUBDKCM-UGKGYDQZSA-N 0 3 472.609 3.346 20 0 JGADHN CC(C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001303067932 1067602678 /nfs/dbraw/zinc/60/26/78/1067602678.db2.gz JRUQRFCKMKHLFC-QGZVFWFLSA-N 0 3 465.440 3.251 20 0 JGADHN Cc1ccccc1Cc1nnc(N(C)[C@@H](C)CS(C)(=O)=O)n1CC(C)(C)CN1CCCC1 ZINC001304548209 1067617239 /nfs/dbraw/zinc/61/72/39/1067617239.db2.gz UHSDYCWBNDQRID-FQEVSTJZSA-N 0 3 461.676 3.169 20 0 JGADHN Cc1ccccc1Cc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCSC(C)C ZINC001304559895 1067629127 /nfs/dbraw/zinc/62/91/27/1067629127.db2.gz OQUNHVOQUIJKQF-JOCHJYFZSA-N 0 3 470.687 3.062 20 0 JGADHN Cc1ccccc1Cc1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CCN1CC=CCC1 ZINC001304560335 1067629913 /nfs/dbraw/zinc/62/99/13/1067629913.db2.gz SDLJDZOPVSZOET-UHFFFAOYSA-N 0 3 465.646 3.069 20 0 JGADHN CC(C)CCOc1ccc(-c2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CC2(N(C)C)CCC2)cc1 ZINC001303095955 1067632125 /nfs/dbraw/zinc/63/21/25/1067632125.db2.gz QXIDGNIIFQSJDU-QFIPXVFZSA-N 0 3 489.686 3.478 20 0 JGADHN CC(C)CN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN1CCN(C)C(C)(C)C1 ZINC001303142980 1067681452 /nfs/dbraw/zinc/68/14/52/1067681452.db2.gz VNRTUVPQRZCLMB-FQEVSTJZSA-N 0 3 477.698 3.468 20 0 JGADHN OCC1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCN2CC=CCC2)CC1 ZINC001303143372 1067682283 /nfs/dbraw/zinc/68/22/83/1067682283.db2.gz DROCQKSATNISMB-UHFFFAOYSA-N 0 3 464.383 3.317 20 0 JGADHN Cc1coc(C)c1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2ccccc2)CC1 ZINC001304614932 1067682707 /nfs/dbraw/zinc/68/27/07/1067682707.db2.gz WEYUJJNVMOKFIU-UHFFFAOYSA-N 0 3 450.587 3.387 20 0 JGADHN CC(C)CN1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](C(F)(F)F)C2)C1 ZINC001303176685 1067709848 /nfs/dbraw/zinc/70/98/48/1067709848.db2.gz DWMYXGWZUKPPFO-OTWHNJEPSA-N 0 3 491.624 3.327 20 0 JGADHN CC(C)CN1CCC[C@H](Cn2c(Cc3ccsc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001303178164 1067710944 /nfs/dbraw/zinc/71/09/44/1067710944.db2.gz JRXJAIUIRNUDQW-LEWJYISDSA-N 0 3 479.716 3.312 20 0 JGADHN Cc1nc(C)c(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CCC(C)(C)C)CC2)s1 ZINC001304642411 1067711270 /nfs/dbraw/zinc/71/12/70/1067711270.db2.gz MYEFSIVVESCEGG-GOSISDBHSA-N 0 3 459.664 3.103 20 0 JGADHN CC(C)CN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cc(Br)ccc2F)CC1 ZINC001303178870 1067712336 /nfs/dbraw/zinc/71/23/36/1067712336.db2.gz WVQZUTBGLRGQKF-UHFFFAOYSA-N 0 3 495.441 3.339 20 0 JGADHN CC(C)CN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001303178787 1067712522 /nfs/dbraw/zinc/71/25/22/1067712522.db2.gz VWGSECZDDNZDIU-LJQANCHMSA-N 0 3 482.658 3.068 20 0 JGADHN CC(C)CN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2Br)CC1 ZINC001303178948 1067712875 /nfs/dbraw/zinc/71/28/75/1067712875.db2.gz ZETJRFZOQWJWBH-UHFFFAOYSA-N 0 3 463.424 3.005 20 0 JGADHN CC(C)CN1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C2CCCCC2)C1 ZINC001303179422 1067713208 /nfs/dbraw/zinc/71/32/08/1067713208.db2.gz VPHWVDSXILONDF-PMACEKPBSA-N 0 3 451.681 3.317 20 0 JGADHN CC(C)CN1CCC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001303179894 1067713655 /nfs/dbraw/zinc/71/36/55/1067713655.db2.gz ZTYHCTRCJZSSDK-HXUWFJFHSA-N 0 3 480.078 3.125 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCN2CCOC2=O)CC1 ZINC001303181970 1067713925 /nfs/dbraw/zinc/71/39/25/1067713925.db2.gz BWIQITPVXKXWGQ-LJQANCHMSA-N 0 3 474.581 3.178 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 ZINC001303184155 1067717155 /nfs/dbraw/zinc/71/71/55/1067717155.db2.gz IYDWYLAXZNOSLI-YUXAGFNASA-N 0 3 478.037 3.389 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(C)CCC2)CC1 ZINC001303184337 1067717341 /nfs/dbraw/zinc/71/73/41/1067717341.db2.gz KUSQXASLUCFOTR-UHFFFAOYSA-N 0 3 474.675 3.164 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3cccnc3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 ZINC001303188301 1067722326 /nfs/dbraw/zinc/72/23/26/1067722326.db2.gz HIBYGOAPVWUGFP-UHFFFAOYSA-N 0 3 461.614 3.063 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCCC(=O)N(C)C)CC1 ZINC001303188373 1067722754 /nfs/dbraw/zinc/72/27/54/1067722754.db2.gz CZRHJGYYEKBGMJ-UHFFFAOYSA-N 0 3 465.602 3.247 20 0 JGADHN Cc1nc([C@H]2CN(c3nnc(CC(C)(C)C)n3C[C@H](c3ccccc3)N(C)C)CCO2)no1 ZINC001304654839 1067723204 /nfs/dbraw/zinc/72/32/04/1067723204.db2.gz ZNFOHWQWLMFPDT-WOJBJXKFSA-N 0 3 453.591 3.439 20 0 JGADHN Cc1nc(Cc2nnc(N(C)CCCS(C)(=O)=O)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)cs1 ZINC001304656227 1067724795 /nfs/dbraw/zinc/72/47/95/1067724795.db2.gz IIFCUOZZLBXILN-VGSWGCGISA-N 0 3 482.720 3.015 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC001303191430 1067725309 /nfs/dbraw/zinc/72/53/09/1067725309.db2.gz AXIKWVDLCNVINI-QFIPXVFZSA-N 0 3 454.619 3.048 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC001303191035 1067725423 /nfs/dbraw/zinc/72/54/23/1067725423.db2.gz RWJDRJNXBXZMLO-GOSISDBHSA-N 0 3 468.499 3.213 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@@H]3CCCCO3)n2CCN(C)Cc2ccc(F)cc2)[C@@H](C)C1=O ZINC001303192607 1067727107 /nfs/dbraw/zinc/72/71/07/1067727107.db2.gz WRROGCXAQWQAAQ-REWPJTCUSA-N 0 3 486.636 3.484 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2C[C@H]2C)CC1 ZINC001303195905 1067729037 /nfs/dbraw/zinc/72/90/37/1067729037.db2.gz FLIDBJFJVUYSAO-AABGKKOBSA-N 0 3 462.639 3.021 20 0 JGADHN CC(C)CN1CCN(c2nnc(Cc3cccnc3)n2C[C@](O)(c2ccccc2)C(F)(F)F)CC1 ZINC001303197541 1067732299 /nfs/dbraw/zinc/73/22/99/1067732299.db2.gz WGAWZWLZHQZNDT-DEOSSOPVSA-N 0 3 488.558 3.492 20 0 JGADHN CC(C)CN1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 ZINC001303197848 1067732665 /nfs/dbraw/zinc/73/26/65/1067732665.db2.gz ZJLICJRTFLJAMC-OAQYLSRUSA-N 0 3 484.645 3.192 20 0 JGADHN Cc1nc(Cc2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2CCN(C)Cc2ccccc2)cs1 ZINC001304669699 1067738236 /nfs/dbraw/zinc/73/82/36/1067738236.db2.gz ILNFXKSAXLRUOC-HXUWFJFHSA-N 0 3 495.697 3.459 20 0 JGADHN Cc1nnc(CCCn2c(Cc3csc(C)n3)nnc2N2CCN(C(C)(C)C)CC2)s1 ZINC001304673428 1067743287 /nfs/dbraw/zinc/74/32/87/1067743287.db2.gz VRJRWYHHNVVAIU-UHFFFAOYSA-N 0 3 460.677 3.347 20 0 JGADHN Cc1nc(C[C@@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C)N(C)Cc3ccccc3)C2)no1 ZINC001304676997 1067749093 /nfs/dbraw/zinc/74/90/93/1067749093.db2.gz NGJQHLBPQGIJAR-KNQAVFIVSA-N 0 3 494.644 3.087 20 0 JGADHN Cc1nccc(N2CCN(c3nnc(C(C)(C)C)n3C[C@H](c3ccc(F)cc3)N(C)C)CC2)n1 ZINC001304699116 1067769403 /nfs/dbraw/zinc/76/94/03/1067769403.db2.gz DCROBSHPTXDFPE-OAQYLSRUSA-N 0 3 466.609 3.443 20 0 JGADHN CC(C)N(C)C(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN2CC=CCC2)CC1 ZINC001303255498 1067781585 /nfs/dbraw/zinc/78/15/85/1067781585.db2.gz IFHGFMOONHBQLQ-UHFFFAOYSA-N 0 3 468.621 3.353 20 0 JGADHN Cc1nccn1CCn1c(-c2ccccc2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 ZINC001304711370 1067782582 /nfs/dbraw/zinc/78/25/82/1067782582.db2.gz DJKCBWVYHMSNFJ-UHFFFAOYSA-N 0 3 477.535 3.241 20 0 JGADHN Cc1nn(C)c(C)c1CN(C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN1Cc1ccccc1 ZINC001304715881 1067787208 /nfs/dbraw/zinc/78/72/08/1067787208.db2.gz UGQNIKIPGYURJH-JOCHJYFZSA-N 0 3 478.645 3.068 20 0 JGADHN CC(C)N(Cc1ccco1)c1nnc([C@@H]2CCCCO2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001303287066 1067813152 /nfs/dbraw/zinc/81/31/52/1067813152.db2.gz GNBXSTSYKDMYRU-YADHBBJMSA-N 0 3 472.634 3.470 20 0 JGADHN CC(C)N(Cc1ccco1)c1nnc([C@H]2CCCCO2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001303287064 1067813227 /nfs/dbraw/zinc/81/32/27/1067813227.db2.gz GNBXSTSYKDMYRU-FGZHOGPDSA-N 0 3 472.634 3.470 20 0 JGADHN CC(C)[NH+](CCCn1c(C2CC2)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1)C(C)C ZINC001303292395 1067817980 /nfs/dbraw/zinc/81/79/80/1067817980.db2.gz ZBNBYNRZELRYGX-UHFFFAOYSA-N 0 3 454.619 3.332 20 0 JGADHN CC(C)N(CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)C(C)C ZINC001303296835 1067820617 /nfs/dbraw/zinc/82/06/17/1067820617.db2.gz LMKNEGSXMGJOBO-HXUWFJFHSA-N 0 3 468.067 3.264 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N(C)Cc3ncc(Cl)n3C)n2C[C@H](c2ccccc2)N(C)C)n1 ZINC001304743664 1067821276 /nfs/dbraw/zinc/82/12/76/1067821276.db2.gz VWVLSILEYLZBBD-HXUWFJFHSA-N 0 3 482.036 3.466 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N(C)C[C@H]3CCCO3)n2C[C@H](c2cccc(F)c2)N(C)C)n1 ZINC001304744888 1067823516 /nfs/dbraw/zinc/82/35/16/1067823516.db2.gz CAMXKCYZGCNWQL-FGZHOGPDSA-N 0 3 455.582 3.197 20 0 JGADHN CC(C)N1CCC[C@H](Cn2c(CC3CCCC3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001303303941 1067829931 /nfs/dbraw/zinc/82/99/31/1067829931.db2.gz AYFOWQVXQRLUQY-SFTDATJTSA-N 0 3 451.681 3.145 20 0 JGADHN CC(C)N1CCC[C@H](Cn2c(-c3ccccc3F)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)C1 ZINC001303304567 1067831616 /nfs/dbraw/zinc/83/16/16/1067831616.db2.gz OCAFSCBOWSZGFC-QRVBRYPASA-N 0 3 465.639 3.462 20 0 JGADHN CC(C)N1CCC[C@@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001303305635 1067833711 /nfs/dbraw/zinc/83/37/11/1067833711.db2.gz VJGOMUDUBGNVCU-LJQANCHMSA-N 0 3 468.067 3.124 20 0 JGADHN CC(C)N1CCC[C@H](Cn2c(C3CCCC3)nnc2N2CCCC[C@H](S(C)(=O)=O)C2)C1 ZINC001303305959 1067834340 /nfs/dbraw/zinc/83/43/40/1067834340.db2.gz XBBFYPXHNYIWAK-FPOVZHCZSA-N 0 3 451.681 3.460 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N3CCN(C(C)(C)C)CC3)n2CCc2nc(C)c(C)s2)n1 ZINC001304759456 1067844780 /nfs/dbraw/zinc/84/47/80/1067844780.db2.gz KAFMPKLNJTXUKA-UHFFFAOYSA-N 0 3 456.664 3.376 20 0 JGADHN CC(C)N1CCN([C@H]2CCN(c3nnc(-c4ccccc4)n3CCOCC(F)(F)C(F)F)C2)CC1 ZINC001303317048 1067845438 /nfs/dbraw/zinc/84/54/38/1067845438.db2.gz OFXDNOPDRPSIEC-FQEVSTJZSA-N 0 3 498.569 3.467 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N3CCN(CC(C)C)CC3)n2Cc2ccc(NC(=O)N(C)C)cc2)n1 ZINC001304761619 1067848817 /nfs/dbraw/zinc/84/88/17/1067848817.db2.gz XCDYKTVKUJHAMF-UHFFFAOYSA-N 0 3 493.660 3.060 20 0 JGADHN CC(C)N1CCN([C@@H]2CCN(c3nnc(CCc4ccccc4)n3CC(F)(F)F)C2)CC1 ZINC001303318492 1067849485 /nfs/dbraw/zinc/84/94/85/1067849485.db2.gz SRHCMWMVXPFTPZ-HXUWFJFHSA-N 0 3 450.553 3.230 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N3CCN(CC(C)C)CC3)n2CCCN(C)C(=O)OC(C)(C)C)n1 ZINC001304764836 1067854063 /nfs/dbraw/zinc/85/40/63/1067854063.db2.gz SMKXYIWHSWKJMU-UHFFFAOYSA-N 0 3 488.681 3.175 20 0 JGADHN CC(C)NC(=O)c1nnc(N(C)Cc2cc(Cl)ccn2)n1CC1(N2CCSCC2)CCCC1 ZINC001303330685 1067860387 /nfs/dbraw/zinc/86/03/87/1067860387.db2.gz BOLXPZBOZZFISO-UHFFFAOYSA-N 0 3 492.093 3.463 20 0 JGADHN CC(C)NC(=O)c1nnc(N(C)CCc2ccc(Cl)cc2)n1C[C@@]1(N(C)C)CCSC1 ZINC001303340742 1067869245 /nfs/dbraw/zinc/86/92/45/1067869245.db2.gz ZYWBJDABLCMYMN-QFIPXVFZSA-N 0 3 465.067 3.186 20 0 JGADHN CC(C)NC(=O)c1nnc(N(C)CCC(F)(F)F)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001303340745 1067869611 /nfs/dbraw/zinc/86/96/11/1067869611.db2.gz ZZNQVQMHAVBHEE-IBGZPJMESA-N 0 3 482.551 3.096 20 0 JGADHN CC(C)NC(=O)c1nnc(N(Cc2ccco2)C(C)C)n1Cc1ccccc1CN1CCC(O)CC1 ZINC001303343859 1067872372 /nfs/dbraw/zinc/87/23/72/1067872372.db2.gz WKGJBQWVAHQOBV-UHFFFAOYSA-N 0 3 494.640 3.429 20 0 JGADHN CC(C)NC(=O)c1nnc(N(Cc2cccs2)C[C@@H]2CCCO2)n1CCN1CCC[C@@H]1C ZINC001303347793 1067874882 /nfs/dbraw/zinc/87/48/82/1067874882.db2.gz SJAMKHLKZRPNLE-OALUTQOASA-N 0 3 460.648 3.148 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)n1CCN1CCCC(C)(C)C1 ZINC001303355202 1067883339 /nfs/dbraw/zinc/88/33/39/1067883339.db2.gz LYKSGSIWSIUCRJ-OAQYLSRUSA-N 0 3 495.672 3.028 20 0 JGADHN Cc1nnc(N(Cc2cnn(C)c2)Cc2ccc(Cl)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001304804299 1067886162 /nfs/dbraw/zinc/88/61/62/1067886162.db2.gz PGHBKHZISMZBOO-HSZRJFAPSA-N 0 3 499.063 3.123 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCC(C)(C)CC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001303360094 1067887553 /nfs/dbraw/zinc/88/75/53/1067887553.db2.gz LMHLZNLVRVFNKI-JOCHJYFZSA-N 0 3 468.646 3.334 20 0 JGADHN Cc1nnc(N2CCC(NC(=O)c3ccsc3)CC2)n1CCN(C)Cc1ccc(F)cc1 ZINC001304826046 1067894579 /nfs/dbraw/zinc/89/45/79/1067894579.db2.gz SHFMQTLTZVRZDP-UHFFFAOYSA-N 0 3 456.591 3.318 20 0 JGADHN Cc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CCCN1CCc2ccccc2C1 ZINC001304851835 1067904753 /nfs/dbraw/zinc/90/47/53/1067904753.db2.gz YKDSCAIEMMRRGO-IBGZPJMESA-N 0 3 454.619 3.481 20 0 JGADHN Cc1nnc(N2CCN(C3Cc4ccccc4C3)CC2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001304855269 1067906186 /nfs/dbraw/zinc/90/61/86/1067906186.db2.gz BOAITRWASOMHIO-UHFFFAOYSA-N 0 3 454.619 3.133 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CC[C@]3(CCSC3)C2)n1C[C@@H](C)N(C)Cc1ccccc1 ZINC001303378643 1067908182 /nfs/dbraw/zinc/90/81/82/1067908182.db2.gz INCYVMBNCJPHTQ-DVECYGJZSA-N 0 3 456.660 3.270 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H](c1ccco1)N1CCCCC1 ZINC001303402510 1067930746 /nfs/dbraw/zinc/93/07/46/1067930746.db2.gz LVINCLZMGQQXCH-HXUWFJFHSA-N 0 3 471.650 3.157 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1Cc1ccccc1-n1cccn1 ZINC001303408942 1067935636 /nfs/dbraw/zinc/93/56/36/1067935636.db2.gz BDRAZBRNFKWMCJ-UHFFFAOYSA-N 0 3 478.645 3.209 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@@H]1CCCc2cccnc21 ZINC001303408951 1067935730 /nfs/dbraw/zinc/93/57/30/1067935730.db2.gz BGJYJLIJJPQEQC-NRFANRHFSA-N 0 3 467.662 3.490 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 ZINC001303410534 1067936927 /nfs/dbraw/zinc/93/69/27/1067936927.db2.gz UMFJUQFRZYLNLJ-CJFMBICVSA-N 0 3 460.667 3.180 20 0 JGADHN Cc1cc(S(N)(=O)=O)c(C)cc1NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001303424106 1067949003 /nfs/dbraw/zinc/94/90/03/1067949003.db2.gz KLNGFOFIYSTAAY-HXUWFJFHSA-N 0 3 455.502 3.344 20 0 JGADHN C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccccc2F)n1C[C@@H](c1cccs1)N(C)C ZINC001304907125 1067950597 /nfs/dbraw/zinc/95/05/97/1067950597.db2.gz OMNBXRZMMRNDTE-AEFFLSMTSA-N 0 3 472.590 3.028 20 0 JGADHN C[C@@H]1C[C@H](C)CN(C(C)(C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CC2CC(F)C2)C1 ZINC001304910764 1067953681 /nfs/dbraw/zinc/95/36/81/1067953681.db2.gz IPQDXFVBAYEKMK-LKXUXUIPSA-N 0 3 469.671 3.121 20 0 JGADHN C[C@H]1C[C@H](C)CN(C(C)(C)Cn2c(Cc3ccccn3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001304914307 1067958268 /nfs/dbraw/zinc/95/82/68/1067958268.db2.gz YPYCHBWKBNGBJR-PMACEKPBSA-N 0 3 488.702 3.034 20 0 JGADHN C[C@@H]1C[C@H](C)CN(CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001304924794 1067967731 /nfs/dbraw/zinc/96/77/31/1067967731.db2.gz AEPALCWVNVIILB-PLACYPQZSA-N 0 3 483.723 3.046 20 0 JGADHN C[C@H]1C[C@H](C)CN(CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001304924809 1067967743 /nfs/dbraw/zinc/96/77/43/1067967743.db2.gz AEPALCWVNVIILB-UWHLTILDSA-N 0 3 483.723 3.046 20 0 JGADHN CC(C)NC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN(C2CCCC2)CC1 ZINC001303447325 1067967842 /nfs/dbraw/zinc/96/78/42/1067967842.db2.gz DQIRLTNPJXOLRM-UHFFFAOYSA-N 0 3 493.425 3.436 20 0 JGADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)CC[C@H]2C)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001304957282 1068003413 /nfs/dbraw/zinc/00/34/13/1068003413.db2.gz DIXVSTISKULZCQ-VAMGGRTRSA-N 0 3 488.702 3.350 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCN(C3CCC(C)CC3)CC2)n1Cc1ccc([C@H](C)O)cc1 ZINC001304978832 1068017333 /nfs/dbraw/zinc/01/73/33/1068017333.db2.gz HUIISGHHNDYMAN-KQVJYAISSA-N 0 3 468.646 3.219 20 0 JGADHN C[C@@H]1CCc2sc(-c3nnc(N(C)[C@H]4CCS(=O)(=O)C4)n3CC(C)(C)CN(C)C)cc2C1 ZINC001304980066 1068018455 /nfs/dbraw/zinc/01/84/55/1068018455.db2.gz CMTIMQFCVAGMMS-AEFFLSMTSA-N 0 3 479.716 3.343 20 0 JGADHN C[C@H](CS(C)(=O)=O)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 ZINC001304983091 1068024967 /nfs/dbraw/zinc/02/49/67/1068024967.db2.gz CRHCUUYHJLBNNQ-KHCICDEESA-N 0 3 479.666 3.388 20 0 JGADHN CC(C)O[C@@]1(c2nnc(N3CCOC(C)(C)C3)n2CCN(C)Cc2ccc(F)cc2)CCOC1 ZINC001303502930 1068033744 /nfs/dbraw/zinc/03/37/44/1068033744.db2.gz BDOXETQMVNYVJW-VWLOTQADSA-N 0 3 475.609 3.205 20 0 JGADHN C[C@@H]1CCCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001305007278 1068049188 /nfs/dbraw/zinc/04/91/88/1068049188.db2.gz DKDVQNLOZWHQTG-HXUWFJFHSA-N 0 3 488.702 3.001 20 0 JGADHN C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2CCCC[C@@H]2C)C[C@H](C)O1 ZINC001305015009 1068056872 /nfs/dbraw/zinc/05/68/72/1068056872.db2.gz BJHQPIAKKDQEKZ-SLFFLAALSA-N 0 3 475.659 3.227 20 0 JGADHN C[C@H]1CCCCN1CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CCS(C)(=O)=O)C1CC1 ZINC001305016637 1068059730 /nfs/dbraw/zinc/05/97/30/1068059730.db2.gz AAQPEYQCZOYOCA-KSEOMHKRSA-N 0 3 495.734 3.475 20 0 JGADHN C[C@H]1CCCN(C(C)(C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001305017601 1068061619 /nfs/dbraw/zinc/06/16/19/1068061619.db2.gz FMMPZDVSQMQPKB-XUVXKRRUSA-N 0 3 483.723 3.188 20 0 JGADHN C[C@H]1CCCN(C(C)(C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)CCCS(C)(=O)=O)C1 ZINC001305022985 1068074684 /nfs/dbraw/zinc/07/46/84/1068074684.db2.gz OQIUBIXEKLCHHJ-KRWDZBQOSA-N 0 3 483.082 3.375 20 0 JGADHN C[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)N1CCC[C@@H](C)C1 ZINC001305023974 1068077338 /nfs/dbraw/zinc/07/73/38/1068077338.db2.gz JKISXKVZTINDNT-UWVAXJGDSA-N 0 3 466.051 3.342 20 0 JGADHN CC(C)OCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001303551914 1068077836 /nfs/dbraw/zinc/07/78/36/1068077836.db2.gz HMWKBSNSOHXIII-UHFFFAOYSA-N 0 3 459.610 3.372 20 0 JGADHN C[C@@H]1CCCN(CCn2c([C@@H]3CCCOC3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)C1 ZINC001305049767 1068110496 /nfs/dbraw/zinc/11/04/96/1068110496.db2.gz TUCNEOKCBRJDQW-SJLPKXTDSA-N 0 3 457.541 3.252 20 0 JGADHN C[C@@H](c1ccc(F)c(F)c1)N(C)c1nnc(-c2cnccn2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001303593767 1068114161 /nfs/dbraw/zinc/11/41/61/1068114161.db2.gz MFHYDFOXKNXCHA-JTSKRJEESA-N 0 3 498.582 3.153 20 0 JGADHN C[C@H](c1ccc(F)c(F)c1)N(C)c1nnc([C@@H]2CCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001303594690 1068114894 /nfs/dbraw/zinc/11/48/94/1068114894.db2.gz PYFQINAZYRCSPC-JUXOCIIHSA-N 0 3 490.599 3.200 20 0 JGADHN C[C@H](c1ccc(F)c(F)c1)N(C)c1nnc([C@@H]2CCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001303594692 1068114985 /nfs/dbraw/zinc/11/49/85/1068114985.db2.gz PYFQINAZYRCSPC-SFGWALBWSA-N 0 3 490.599 3.200 20 0 JGADHN C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)c1nnc(-c2cccnc2)n1CCN1CC=CCC1 ZINC001303595035 1068116086 /nfs/dbraw/zinc/11/60/86/1068116086.db2.gz AZBFDVUZTSXUAS-IBGZPJMESA-N 0 3 466.611 3.203 20 0 JGADHN C[C@H]1CCCN1CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 ZINC001305057857 1068119943 /nfs/dbraw/zinc/11/99/43/1068119943.db2.gz DMCPTTKYGYSIIV-HNNXBMFYSA-N 0 3 473.503 3.463 20 0 JGADHN C[C@H]1CCCN1CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 ZINC001305058517 1068121232 /nfs/dbraw/zinc/12/12/32/1068121232.db2.gz HJJUEZPQVQOSRY-AWEZNQCLSA-N 0 3 471.553 3.110 20 0 JGADHN CSCC[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC001303598825 1068124680 /nfs/dbraw/zinc/12/46/80/1068124680.db2.gz KUXCKTYTZNTTAU-PMUMKWKESA-N 0 3 480.483 3.089 20 0 JGADHN CCC[C@H](NC(=O)NCc1ccc(Br)cc1)C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC001303598679 1068124807 /nfs/dbraw/zinc/12/48/07/1068124807.db2.gz CJVBLJPLFCGQCM-OTWHNJEPSA-N 0 3 451.409 3.112 20 0 JGADHN C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CCCc1ccccn1)N1CCC(C)CC1 ZINC001305062260 1068129356 /nfs/dbraw/zinc/12/93/56/1068129356.db2.gz CEMYQKCOVRSGIQ-NRFANRHFSA-N 0 3 453.635 3.099 20 0 JGADHN C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(F)(F)F)C1)N1CCC(C)CC1 ZINC001305063209 1068131349 /nfs/dbraw/zinc/13/13/49/1068131349.db2.gz FPFKWXYOAPSHAC-QZTJIDSGSA-N 0 3 456.557 3.413 20 0 JGADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)CC2)n1C[C@H](c1cccs1)N1CCCC1 ZINC001305070991 1068144553 /nfs/dbraw/zinc/14/45/53/1068144553.db2.gz QYJZRAOIBSYHMK-ZWKOTPCHSA-N 0 3 466.677 3.023 20 0 JGADHN CC1CCN(CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001305102319 1068168388 /nfs/dbraw/zinc/16/83/88/1068168388.db2.gz PRQQKSKMVVBJIL-RBUKOAKNSA-N 0 3 491.624 3.471 20 0 JGADHN CC1CCN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccc2F)CC1 ZINC001305103476 1068171005 /nfs/dbraw/zinc/17/10/05/1068171005.db2.gz JZJHVRLCEMYHKJ-HXUWFJFHSA-N 0 3 463.623 3.078 20 0 JGADHN CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)n1CCN1CCC(C)CC1 ZINC001305106999 1068175734 /nfs/dbraw/zinc/17/57/34/1068175734.db2.gz MAGGGHTYHYZHCM-DUTUXMCTSA-N 0 3 474.675 3.083 20 0 JGADHN C[C@@H](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[C@@H](F)C1)N1CCCCC1 ZINC001303661745 1068192865 /nfs/dbraw/zinc/19/28/65/1068192865.db2.gz AJBYUNMMSALEHR-LQWHRVPQSA-N 0 3 463.623 3.407 20 0 JGADHN C[C@@H](CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCS(C)(=O)=O)N1CCCCC1 ZINC001303664137 1068196182 /nfs/dbraw/zinc/19/61/82/1068196182.db2.gz IWPCUCRCNOGHCG-IBGZPJMESA-N 0 3 472.659 3.182 20 0 JGADHN C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)(C)C)CC1)Oc1cccc(F)c1 ZINC001303683706 1068221561 /nfs/dbraw/zinc/22/15/61/1068221561.db2.gz DIQACIWLAJCDLV-SFHVURJKSA-N 0 3 458.582 3.041 20 0 JGADHN C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)CC(N)=O)N1CCc2ccccc2C1 ZINC001303744972 1068305376 /nfs/dbraw/zinc/30/53/76/1068305376.db2.gz VRCBGYKNKJEANE-JDKSZYQJSA-N 0 3 482.673 3.344 20 0 JGADHN C[C@H](CN1CCCC1)Cn1c(Cc2ccc(F)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001303746797 1068307946 /nfs/dbraw/zinc/30/79/46/1068307946.db2.gz WIUDWNAFCYEONP-DENIHFKCSA-N 0 3 477.650 3.143 20 0 JGADHN C[C@@H](CN1CCCC1)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001303750863 1068310898 /nfs/dbraw/zinc/31/08/98/1068310898.db2.gz CPKHVFSQOQQFCX-DXBBTUNJSA-N 0 3 495.734 3.332 20 0 JGADHN C[C@H](CN1CCCC1)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001303750865 1068310938 /nfs/dbraw/zinc/31/09/38/1068310938.db2.gz CPKHVFSQOQQFCX-GXRSIYKFSA-N 0 3 495.734 3.332 20 0 JGADHN C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(F)(F)F)C1)CN1CCCCC1 ZINC001303753268 1068314938 /nfs/dbraw/zinc/31/49/38/1068314938.db2.gz MMFPTWUMJQVDFK-KURKYZTESA-N 0 3 477.597 3.081 20 0 JGADHN C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(F)(F)F)C1)CN1CCCCC1 ZINC001303753267 1068314988 /nfs/dbraw/zinc/31/49/88/1068314988.db2.gz MMFPTWUMJQVDFK-FGTMMUONSA-N 0 3 477.597 3.081 20 0 JGADHN C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(F)(F)F)C1)CN1CCCCC1 ZINC001303753269 1068315271 /nfs/dbraw/zinc/31/52/71/1068315271.db2.gz MMFPTWUMJQVDFK-KZNAEPCWSA-N 0 3 477.597 3.081 20 0 JGADHN C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCN2CCN(C)C(C)(C)C2)C[C@@H](C)S1 ZINC001305193812 1068317935 /nfs/dbraw/zinc/31/79/35/1068317935.db2.gz XNUXCLXONNAVLH-RTBURBONSA-N 0 3 460.667 3.364 20 0 JGADHN C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(CCc2ccccc2)CC1)CN1CCOCC1 ZINC001303760783 1068327234 /nfs/dbraw/zinc/32/72/34/1068327234.db2.gz XMLCKLOJFYYHPV-QHCPKHFHSA-N 0 3 468.690 3.200 20 0 JGADHN C[C@H]1CN(c2nnc(CCCc3ccccc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CCS1 ZINC001305204273 1068329059 /nfs/dbraw/zinc/32/90/59/1068329059.db2.gz OXPUZIXIZINZSN-GMAHTHKFSA-N 0 3 484.714 3.338 20 0 JGADHN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(Cc2cccnc2)nnc1N1CCN(C2CCCC2)CC1 ZINC001303767919 1068340979 /nfs/dbraw/zinc/34/09/79/1068340979.db2.gz FVEHDZSHXWPGMB-HXUWFJFHSA-N 0 3 483.661 3.489 20 0 JGADHN C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCCN1CCCCC1 ZINC001303775640 1068354203 /nfs/dbraw/zinc/35/42/03/1068354203.db2.gz XUVWDEDXGNVYCX-LJQANCHMSA-N 0 3 472.659 3.182 20 0 JGADHN C[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](c2cccc(F)c2)N(C)C)CC(=O)N1C ZINC001305218039 1068354603 /nfs/dbraw/zinc/35/46/03/1068354603.db2.gz VHWSPJNGYUUYCT-UOAUAQBLSA-N 0 3 486.636 3.306 20 0 JGADHN C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC001303790373 1068374733 /nfs/dbraw/zinc/37/47/33/1068374733.db2.gz DQOXTPKLKQXGDH-QGZVFWFLSA-N 0 3 454.527 3.372 20 0 JGADHN C[C@@H]1COCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C1CCCCC1)N(C)C ZINC001305231544 1068377290 /nfs/dbraw/zinc/37/72/90/1068377290.db2.gz WMYGUIVGCFERSI-GCJKJVERSA-N 0 3 475.659 3.084 20 0 JGADHN C[C@H]1COCCN1c1nnc(-c2cc(F)ccc2Br)n1CCN1CCN(C)C(C)(C)C1 ZINC001305231929 1068378225 /nfs/dbraw/zinc/37/82/25/1068378225.db2.gz XVLZIRSHTMLVQM-INIZCTEOSA-N 0 3 495.441 3.098 20 0 JGADHN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC2CCCC2)n1C[C@@H](c1cccs1)N1CCCC1 ZINC001303817852 1068431368 /nfs/dbraw/zinc/43/13/68/1068431368.db2.gz UCENLLVKCUTFOF-MJGOQNOKSA-N 0 3 480.704 3.413 20 0 JGADHN CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@H](c2ccsc2)N(C)C)C1 ZINC001305266851 1068450808 /nfs/dbraw/zinc/45/08/08/1068450808.db2.gz PKTVSSVHFMKQLZ-AZUAARDMSA-N 0 3 455.632 3.143 20 0 JGADHN CCC(=O)N[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2ccccc2)N(C)C)C1 ZINC001305268889 1068457982 /nfs/dbraw/zinc/45/79/82/1068457982.db2.gz PKFXVJNMTDQPBZ-PKTZIBPZSA-N 0 3 461.614 3.062 20 0 JGADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)C3(CCC3)C2)n1C[C@@H](c1cccs1)N(C)C ZINC001303832770 1068459965 /nfs/dbraw/zinc/45/99/65/1068459965.db2.gz ZXZCHDGNINMHRX-SQNIBIBYSA-N 0 3 480.704 3.269 20 0 JGADHN CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccccn3)n2CCN(C)Cc2ccc(F)cc2)C1 ZINC001305270871 1068467178 /nfs/dbraw/zinc/46/71/78/1068467178.db2.gz XYJQPWZPFJYZBX-NRFANRHFSA-N 0 3 465.577 3.106 20 0 JGADHN CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC001305278041 1068479457 /nfs/dbraw/zinc/47/94/57/1068479457.db2.gz NXSKSEAIRQWEQB-AANQFLQQSA-N 0 3 498.672 3.108 20 0 JGADHN CCC(=O)N[C@H]1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC001305278061 1068479472 /nfs/dbraw/zinc/47/94/72/1068479472.db2.gz NXSKSEAIRQWEQB-UCKMRUJXSA-N 0 3 498.672 3.108 20 0 JGADHN CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001305287296 1068488882 /nfs/dbraw/zinc/48/88/82/1068488882.db2.gz IXQLROFVHYBAPG-UHFFFAOYSA-N 0 3 450.635 3.497 20 0 JGADHN CC[C@](C)(O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001305293699 1068498187 /nfs/dbraw/zinc/49/81/87/1068498187.db2.gz IQULBFURVBUJSZ-SWYRRKHMSA-N 0 3 488.652 3.323 20 0 JGADHN CC[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001305293781 1068498287 /nfs/dbraw/zinc/49/82/87/1068498287.db2.gz LFRZZESGKSWSPI-HSZRJFAPSA-N 0 3 495.455 3.157 20 0 JGADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1CCCc1ccccc1 ZINC001303864690 1068501976 /nfs/dbraw/zinc/50/19/76/1068501976.db2.gz FXILBYOYHLVPDF-FQEVSTJZSA-N 0 3 476.691 3.079 20 0 JGADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1CCc1ccc(Cl)cc1 ZINC001303865383 1068502687 /nfs/dbraw/zinc/50/26/87/1068502687.db2.gz SBTFHQOEHIVLBX-GOSISDBHSA-N 0 3 497.109 3.343 20 0 JGADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@@H]1CCCC1(C)C ZINC001303865956 1068502764 /nfs/dbraw/zinc/50/27/64/1068502764.db2.gz WTXYDHWBPFGSFZ-OALUTQOASA-N 0 3 468.712 3.273 20 0 JGADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1Cc1cccc2cccnc21 ZINC001303865274 1068503082 /nfs/dbraw/zinc/50/30/82/1068503082.db2.gz PUXIGLUEORTAOL-LJQANCHMSA-N 0 3 499.685 3.043 20 0 JGADHN CC[C@@](C)(O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001305306193 1068513714 /nfs/dbraw/zinc/51/37/14/1068513714.db2.gz HSBXBOOHVXOIFR-MHECFPHRSA-N 0 3 462.038 3.373 20 0 JGADHN C[C@H](O)c1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCN(CCC(C)(C)C)CC2)cc1 ZINC001303887299 1068524760 /nfs/dbraw/zinc/52/47/60/1068524760.db2.gz HTPWTUVIVYRSJO-FQEVSTJZSA-N 0 3 468.646 3.060 20 0 JGADHN CC[C@](C)(O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001305313604 1068526140 /nfs/dbraw/zinc/52/61/40/1068526140.db2.gz PVISKVMNFLARKS-SANMLTNESA-N 0 3 471.646 3.184 20 0 JGADHN CC[C@](C)(O)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001305314791 1068528496 /nfs/dbraw/zinc/52/84/96/1068528496.db2.gz JFFUZMHXDRJKON-RHGYRFJNSA-N 0 3 464.655 3.130 20 0 JGADHN CC[C@H](C)[C@@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001305330913 1068557437 /nfs/dbraw/zinc/55/74/37/1068557437.db2.gz VXQIOIMCXRGPOM-FNZWTVRRSA-N 0 3 480.661 3.243 20 0 JGADHN CC[C@H](C)[C@](C)(O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001305335715 1068566932 /nfs/dbraw/zinc/56/69/32/1068566932.db2.gz LXLNDIIKXXWGDL-UWUFEASWSA-N 0 3 489.734 3.036 20 0 JGADHN C[C@@H](Oc1ccccc1F)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCCC1 ZINC001303916192 1068567775 /nfs/dbraw/zinc/56/77/75/1068567775.db2.gz DJZOJOQSLSSWLF-UYAOXDASSA-N 0 3 493.649 3.445 20 0 JGADHN CC[C@@H](C)[C@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001305336905 1068569170 /nfs/dbraw/zinc/56/91/70/1068569170.db2.gz BZRLPMZGYMPUKU-XMERXJNXSA-N 0 3 489.636 3.483 20 0 JGADHN C[C@@H](Oc1ccccc1F)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001303925446 1068581289 /nfs/dbraw/zinc/58/12/89/1068581289.db2.gz ALURFYJGIYESKD-CEXWTWQISA-N 0 3 461.582 3.018 20 0 JGADHN C[C@@H](Oc1ccccc1F)c1nnc(N2CCS(=O)(=O)CC2)n1CCCN1CCCC[C@@H]1C ZINC001303938538 1068597563 /nfs/dbraw/zinc/59/75/63/1068597563.db2.gz TYDNZOGSWRGUKO-RBUKOAKNSA-N 0 3 479.622 3.057 20 0 JGADHN CC[C@H](C)[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCN(CC(C)C)CC1)OC ZINC001305355462 1068603326 /nfs/dbraw/zinc/60/33/26/1068603326.db2.gz VOWFXXBWYIKNDX-UGKGYDQZSA-N 0 3 481.645 3.031 20 0 JGADHN CC[C@@H](C)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC2CCOCC2)CC1)OC ZINC001305356238 1068604683 /nfs/dbraw/zinc/60/46/83/1068604683.db2.gz XIYHJNSBBQHHSY-AUSIDOKSSA-N 0 3 456.635 3.258 20 0 JGADHN CC[C@H](C)c1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1CC1(N2CCC(OC)CC2)CCCC1 ZINC001305365097 1068620549 /nfs/dbraw/zinc/62/05/49/1068620549.db2.gz YEGDRHOJCBZWAS-ZCNNSNEGSA-N 0 3 483.723 3.473 20 0 JGADHN CC[C@@H](C)c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1CCCN1CCN(CC)CC1 ZINC001305386006 1068634505 /nfs/dbraw/zinc/63/45/05/1068634505.db2.gz RNDYBTFKLOIOSJ-QGZVFWFLSA-N 0 3 470.588 3.208 20 0 JGADHN CC[C@H](C)c1nnc(N2C[C@H](C)O[C@@]3(CCOC3)C2)n1C[C@H](c1cccc(OC)c1)N(C)C ZINC001305418508 1068655148 /nfs/dbraw/zinc/65/51/48/1068655148.db2.gz GZIALEGGRJECKP-IQQIVJJCSA-N 0 3 457.619 3.487 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC(C(=O)NC3CCCCC3)CC2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001305426564 1068663531 /nfs/dbraw/zinc/66/35/31/1068663531.db2.gz PLGAUESPTNYNJX-FCHUYYIVSA-N 0 3 487.737 3.483 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC(Cn3nc(C)cc3C)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001305445997 1068680311 /nfs/dbraw/zinc/68/03/11/1068680311.db2.gz TYNJIBKKDONENZ-GBXCKJPGSA-N 0 3 498.720 3.464 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCC(N(CC)S(C)(=O)=O)CC2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001305452775 1068689040 /nfs/dbraw/zinc/68/90/40/1068689040.db2.gz KJLJEBPQJRNZFQ-GCJKJVERSA-N 0 3 494.681 3.484 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCC(NS(=O)(=O)CC)CC2)n1C[C@@H](C)N1CCc2ccccc2C1 ZINC001305453237 1068690286 /nfs/dbraw/zinc/69/02/86/1068690286.db2.gz FINHXRIRFLWDNI-WOJBJXKFSA-N 0 3 488.702 3.147 20 0 JGADHN CC[C@@H](C)c1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1Cc1nccn1C(F)F ZINC001305454888 1068694104 /nfs/dbraw/zinc/69/41/04/1068694104.db2.gz AXPHUUQPHACFBB-MSOLQXFVSA-N 0 3 450.582 3.036 20 0 JGADHN CC[C@H](C)c1nnc(N2CC[C@H](N3CCN(CC)CC3)C2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001305454879 1068694126 /nfs/dbraw/zinc/69/41/26/1068694126.db2.gz ASXSVVIBQCJKIY-ICSRJNTNSA-N 0 3 495.594 3.392 20 0 JGADHN CC[C@H](C)c1nnc(N2CC[C@H](N3CCN(CC)CC3)C2)n1Cc1ccnc(OC(F)F)c1 ZINC001305456545 1068696642 /nfs/dbraw/zinc/69/66/42/1068696642.db2.gz GBEOVJOZTWDZLQ-HKUYNNGSSA-N 0 3 463.577 3.053 20 0 JGADHN CC[C@H](C)c1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1C[C@](C)(O)c1ccc(F)cc1 ZINC001305458908 1068701172 /nfs/dbraw/zinc/70/11/72/1068701172.db2.gz PTFHCCWXPLGXNX-CLLDFNAGSA-N 0 3 472.653 3.443 20 0 JGADHN CC[C@H](C)c1nnc(N2CC[C@](O)(c3ccc(C)cc3)C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001305459418 1068701444 /nfs/dbraw/zinc/70/14/44/1068701444.db2.gz NSRPADLMDIEMTQ-VVZHRXSXSA-N 0 3 454.663 3.224 20 0 JGADHN CC[C@H](C)c1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CCNC(=O)c1ccc(C)c(F)c1 ZINC001305460934 1068703798 /nfs/dbraw/zinc/70/37/98/1068703798.db2.gz XUHRDMBVGGMPHD-REWPJTCUSA-N 0 3 499.679 3.274 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCCc1cccc(F)c1 ZINC001305512682 1068755570 /nfs/dbraw/zinc/75/55/70/1068755570.db2.gz HLLFFGQOAVHNCB-KNQAVFIVSA-N 0 3 456.610 3.306 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCCOc1cccc(OC)c1 ZINC001305512672 1068755656 /nfs/dbraw/zinc/75/56/56/1068755656.db2.gz HLDMRHNVOPUGPD-NFBKMPQASA-N 0 3 484.645 3.012 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCc1ccc(Cl)c(OC)c1 ZINC001305513189 1068757465 /nfs/dbraw/zinc/75/74/65/1068757465.db2.gz IZYCOWJLFFOFBI-WIYYLYMNSA-N 0 3 489.064 3.439 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@H](C)Oc1cccc(OC)c1 ZINC001305513801 1068758308 /nfs/dbraw/zinc/75/83/08/1068758308.db2.gz JDIHDQBCZSVSBO-NHCUHLMSSA-N 0 3 484.645 3.012 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001305515525 1068762543 /nfs/dbraw/zinc/76/25/43/1068762543.db2.gz VNHAFZSXPSBRIX-OALUTQOASA-N 0 3 487.718 3.412 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)NC)CC2)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC001305517657 1068766634 /nfs/dbraw/zinc/76/66/34/1068766634.db2.gz YWOYYEMKVRODNU-UGKGYDQZSA-N 0 3 469.634 3.099 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1Cc1cccc(OCC(=O)N(C)C)c1 ZINC001305529448 1068784414 /nfs/dbraw/zinc/78/44/14/1068784414.db2.gz DCTZWIRJDWGXQE-HXUWFJFHSA-N 0 3 468.646 3.372 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1Cc1ccc(NC(N)=O)cc1 ZINC001305534338 1068794074 /nfs/dbraw/zinc/79/40/74/1068794074.db2.gz JUHXBTPFEZFAMJ-ZWKOTPCHSA-N 0 3 455.607 3.020 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(CCN(C)Cc3ccccc3)CC2)n1C[C@H]1CC=CCO1 ZINC001305545179 1068822719 /nfs/dbraw/zinc/82/27/19/1068822719.db2.gz VOOOTHRZFYPNSX-LADGPHEKSA-N 0 3 452.647 3.391 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001305545717 1068823669 /nfs/dbraw/zinc/82/36/69/1068823669.db2.gz XWLBIWUPDXIAIE-MJGOQNOKSA-N 0 3 482.551 3.335 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN3C(=O)OC[C@@]3(C)C2)n1C[C@@H](c1cccc(OC)c1)N(C)C ZINC001305551892 1068831232 /nfs/dbraw/zinc/83/12/32/1068831232.db2.gz MSSRWKBFWXVCPW-GERBCZOESA-N 0 3 456.591 3.134 20 0 JGADHN CC[C@H](C)c1nnc(N2CCO[C@H](c3cccc(OC)c3)C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001305552288 1068831367 /nfs/dbraw/zinc/83/13/67/1068831367.db2.gz CFTSZQJCPKDGSX-IMSXRSKXSA-N 0 3 470.662 3.404 20 0 JGADHN CC[C@H](C)c1nnc(N2CCO[C@@H](c3ccc(F)cc3)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001305556269 1068834239 /nfs/dbraw/zinc/83/42/39/1068834239.db2.gz MEGOPNHMZIOVSC-WWPVKYPJSA-N 0 3 486.636 3.451 20 0 JGADHN CC[C@@H](C)N(C)CCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCS(C)(=O)=O ZINC001305603683 1068868284 /nfs/dbraw/zinc/86/82/84/1068868284.db2.gz ARTBVGMKYLIZLE-MRXNPFEDSA-N 0 3 486.480 3.227 20 0 JGADHN CC[C@H](C)N(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 ZINC001305610089 1068883828 /nfs/dbraw/zinc/88/38/28/1068883828.db2.gz XYXOFSQXRSMXNK-NYVOZVTQSA-N 0 3 475.659 3.227 20 0 JGADHN CC[C@@H](C)N(C)CCn1c(Cn2ccc3ccccc32)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001305618792 1068901865 /nfs/dbraw/zinc/90/18/65/1068901865.db2.gz GLXIVMOETMFWCR-HXUWFJFHSA-N 0 3 486.686 3.415 20 0 JGADHN CC[C@@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1SC ZINC001305620907 1068906256 /nfs/dbraw/zinc/90/62/56/1068906256.db2.gz XSBFMKUASVHGTI-IEBWSBKVSA-N 0 3 465.689 3.269 20 0 JGADHN CC[C@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1SC ZINC001305620905 1068906312 /nfs/dbraw/zinc/90/63/12/1068906312.db2.gz XSBFMKUASVHGTI-HKUYNNGSSA-N 0 3 465.689 3.269 20 0 JGADHN CC[C@H](C)N(C)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001305620933 1068906857 /nfs/dbraw/zinc/90/68/57/1068906857.db2.gz KYADYYNAASFZFN-KRWDZBQOSA-N 0 3 484.066 3.254 20 0 JGADHN CC[C@H](C)N(C)CCn1c(COc2cccc(C)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001305623073 1068913001 /nfs/dbraw/zinc/91/30/01/1068913001.db2.gz WJLXTJJHQXSABX-UNMCSNQZSA-N 0 3 477.675 3.299 20 0 JGADHN CC[C@@H](C)N(C)CCn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1C1(c2ccccc2)CCC1 ZINC001305624165 1068916501 /nfs/dbraw/zinc/91/65/01/1068916501.db2.gz ZXFJQDMUMJBCGN-CTNGQTDRSA-N 0 3 459.660 3.102 20 0 JGADHN CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccccc3)n2C[C@H](c2ccsc2)N(C)C)CC1 ZINC001305643944 1068967627 /nfs/dbraw/zinc/96/76/27/1068967627.db2.gz JBJFVPVZTSIRKV-NFBKMPQASA-N 0 3 495.697 3.346 20 0 JGADHN CC[C@H](C)NC(=O)CCn1c(COc2ccc(C)cc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001305644691 1068970340 /nfs/dbraw/zinc/97/03/40/1068970340.db2.gz ZTYFFIAQDSZFEF-PCCBWWKXSA-N 0 3 456.635 3.389 20 0 JGADHN CC[C@@H](c1nnc(N2CCS(=O)(=O)CC2)n1C[C@H](C)CN1CCCCC1)c1ccccc1 ZINC001305679922 1069038952 /nfs/dbraw/zinc/03/89/52/1069038952.db2.gz DMXVODJGFIGFRU-IFMALSPDSA-N 0 3 459.660 3.177 20 0 JGADHN CC[C@@H](c1nnc(N2CCS(=O)(=O)CC2)n1CCCN1CCCC[C@H]1C)c1ccccc1 ZINC001305682036 1069040184 /nfs/dbraw/zinc/04/01/84/1069040184.db2.gz MJKITBOZQXDARC-IFMALSPDSA-N 0 3 459.660 3.319 20 0 JGADHN CCC(CC)(Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)CN2CCCC2)CC1)SC ZINC001305693729 1069064566 /nfs/dbraw/zinc/06/45/66/1069064566.db2.gz QISSWBGWOKMTLT-UHFFFAOYSA-N 0 3 485.702 3.315 20 0 JGADHN CCC(CC)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](S(C)(=O)=O)C1)N(C)C ZINC001305707262 1069096879 /nfs/dbraw/zinc/09/68/79/1069096879.db2.gz DDODPWOQHWPWGY-GHTZIAJQSA-N 0 3 465.639 3.464 20 0 JGADHN CCC(CC)[C@H](Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](S(C)(=O)=O)C1)N(C)C ZINC001305707264 1069096915 /nfs/dbraw/zinc/09/69/15/1069096915.db2.gz DDODPWOQHWPWGY-RXVVDRJESA-N 0 3 465.639 3.464 20 0 JGADHN CCC(CC)[C@H](CCn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1C(C)(C)C)OC ZINC001305707659 1069098887 /nfs/dbraw/zinc/09/88/87/1069098887.db2.gz SHBFCAPFMOLJKW-NRFANRHFSA-N 0 3 462.683 3.161 20 0 JGADHN CCC(CC)[C@H](Cn1c(-c2ccccc2)nnc1N1CCC(CNC(C)=O)CC1)N1CCOCC1 ZINC001305710321 1069107247 /nfs/dbraw/zinc/10/72/47/1069107247.db2.gz UOKAKKNIOMQUEO-VWLOTQADSA-N 0 3 482.673 3.435 20 0 JGADHN CCC(CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2sccc2C1)N(C)C ZINC001305711167 1069110081 /nfs/dbraw/zinc/11/00/81/1069110081.db2.gz AXDXOPRHYHWUIF-OALUTQOASA-N 0 3 465.689 3.171 20 0 JGADHN CCC(CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CC2(F)F)CC1)N(C)C ZINC001305715433 1069120941 /nfs/dbraw/zinc/12/09/41/1069120941.db2.gz MGZKFMVGPBCRES-UFYCRDLUSA-N 0 3 487.661 3.418 20 0 JGADHN CCC(CC)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CC2(F)F)CC1)N(C)C ZINC001305715438 1069120957 /nfs/dbraw/zinc/12/09/57/1069120957.db2.gz MGZKFMVGPBCRES-ZCNNSNEGSA-N 0 3 487.661 3.418 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1CCN1CCC[C@H]1C ZINC001305726149 1069143493 /nfs/dbraw/zinc/14/34/93/1069143493.db2.gz VTDCCSHAMDZOMG-OAHLLOKOSA-N 0 3 484.571 3.070 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CCCC(C)C ZINC001305735466 1069156456 /nfs/dbraw/zinc/15/64/56/1069156456.db2.gz HQMUZIDKYZRRKN-REWPJTCUSA-N 0 3 489.709 3.012 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1Cc1ccccc1-n1cccn1 ZINC001305737203 1069160446 /nfs/dbraw/zinc/16/04/46/1069160446.db2.gz GLOSIGKPNZSMEI-VQTJNVASSA-N 0 3 478.645 3.349 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1Cc1nc2cc(OC)ccc2n1C ZINC001305738891 1069165029 /nfs/dbraw/zinc/16/50/29/1069165029.db2.gz MZTXHEPBARCRHH-ROUUACIJSA-N 0 3 496.660 3.059 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC(C(F)(F)F)CC2)n1CCCN1CCN(CC)CC1 ZINC001305745127 1069185664 /nfs/dbraw/zinc/18/56/64/1069185664.db2.gz PGUHRIWORKVGSI-UHFFFAOYSA-N 0 3 487.615 3.003 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CC[C@H](C3CCOCC3)C2)n1CCN1CCC(C)CC1 ZINC001305749918 1069194855 /nfs/dbraw/zinc/19/48/55/1069194855.db2.gz CNMBZHJNZGEIMA-NRFANRHFSA-N 0 3 460.667 3.181 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)C3(CCC3)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305751082 1069197366 /nfs/dbraw/zinc/19/73/66/1069197366.db2.gz WTVZIOYJSVWELZ-HXUWFJFHSA-N 0 3 473.710 3.239 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CC[C@H](c3ccco3)C2)n1C[C@]1(N(C)C)CCSC1 ZINC001305752482 1069200334 /nfs/dbraw/zinc/20/03/34/1069200334.db2.gz SNPQJNVWQDSYGK-GAJHUEQPSA-N 0 3 460.648 3.221 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC(CN3CCOCC3)CC2)n1C[C@]1(C)CCCS1 ZINC001305755164 1069206248 /nfs/dbraw/zinc/20/62/48/1069206248.db2.gz KMFMDGVDMMHDDA-DEOSSOPVSA-N 0 3 478.707 3.031 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC(NC(=O)C(C)C)CC2)n1C[C@@H](C)N1CCC(C)CC1 ZINC001305756198 1069209923 /nfs/dbraw/zinc/20/99/23/1069209923.db2.gz DGEHEDLIVHOGEG-HXUWFJFHSA-N 0 3 489.709 3.058 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC(Cn3cccn3)CC2)n1C[C@H]1N(C)CCCC1(C)C ZINC001305756238 1069209993 /nfs/dbraw/zinc/20/99/93/1069209993.db2.gz SQMYFGQWRXZFRI-JOCHJYFZSA-N 0 3 484.693 3.430 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](Oc3ccccn3)C2)n1CCN1CCCC(C)(C)C1 ZINC001305757769 1069215465 /nfs/dbraw/zinc/21/54/65/1069215465.db2.gz DPXXYADYSRSMNA-OAQYLSRUSA-N 0 3 483.661 3.371 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CC[C@@](O)(c3cccc(F)c3)C2)n1CCN1CCC[C@@H](C)C1 ZINC001305758976 1069219448 /nfs/dbraw/zinc/21/94/48/1069219448.db2.gz NHRVWRAFZUVZMW-BCHFMIIMSA-N 0 3 486.636 3.165 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3CCCC[C@H]3C2)n1C[C@H]1CCCN1CCCO ZINC001305761653 1069228167 /nfs/dbraw/zinc/22/81/67/1069228167.db2.gz CFUQOYBARPPAMM-JAXLGGSGSA-N 0 3 460.667 3.060 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1cccc(NC(=O)OC)c1 ZINC001305779218 1069268126 /nfs/dbraw/zinc/26/81/26/1069268126.db2.gz LIGXZKOKODBKLQ-UHFFFAOYSA-N 0 3 485.633 3.344 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1CCSCC(F)(F)F ZINC001305780052 1069269978 /nfs/dbraw/zinc/26/99/78/1069269978.db2.gz QMUGJKPSWCEEHT-UHFFFAOYSA-N 0 3 464.602 3.413 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(F)cc(F)c3)CC2)n1C[C@@H]1CCCN1CC ZINC001305780322 1069270542 /nfs/dbraw/zinc/27/05/42/1069270542.db2.gz BOQAGZFZNGETNP-NRFANRHFSA-N 0 3 489.615 3.286 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccc(C[S@](C)=O)cc1 ZINC001305781249 1069272560 /nfs/dbraw/zinc/27/25/60/1069272560.db2.gz ZXWIXIKHUJQUTB-UMSFTDKQSA-N 0 3 488.702 3.044 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1CC[C@@H](OC)C(F)(F)F ZINC001305781091 1069272664 /nfs/dbraw/zinc/27/26/64/1069272664.db2.gz XFRFOOGGEDAHKS-MRXNPFEDSA-N 0 3 462.561 3.084 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C)c3ccccc3C2)n1CCN1CCC[C@@H](C)C1 ZINC001305783776 1069278934 /nfs/dbraw/zinc/27/89/34/1069278934.db2.gz XPFFJEYFYQRBRI-HXUWFJFHSA-N 0 3 467.662 3.385 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C)cc3)CC2)n1CCN1CCC[C@@H]1C ZINC001305784534 1069280751 /nfs/dbraw/zinc/28/07/51/1069280751.db2.gz WQZFPNHPJNQLJM-NRFANRHFSA-N 0 3 467.662 3.316 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1CCc1ccc(C)c(OC)c1 ZINC001305785590 1069285721 /nfs/dbraw/zinc/28/57/21/1069285721.db2.gz NAKZPGBUIQKCHU-UHFFFAOYSA-N 0 3 498.672 3.057 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(CC(C)C)CC2)n1CC(=O)Nc1c(C)cccc1C ZINC001305785803 1069287543 /nfs/dbraw/zinc/28/75/43/1069287543.db2.gz LTWIQLSNQNSEQT-UHFFFAOYSA-N 0 3 483.661 3.230 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCCCC3)CC2)n1C[C@H]1CCC[C@@H]1OC ZINC001305786315 1069289670 /nfs/dbraw/zinc/28/96/70/1069289670.db2.gz UIXYXWHTYSKFQH-KNQAVFIVSA-N 0 3 460.667 3.466 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN3CCCC[C@H]3C2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001305787456 1069294342 /nfs/dbraw/zinc/29/43/42/1069294342.db2.gz AFXCTEKMLMCAJT-XZOQPEGZSA-N 0 3 485.652 3.313 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1Cc1c(C)cc(C)cc1C ZINC001305787850 1069295190 /nfs/dbraw/zinc/29/51/90/1069295190.db2.gz NXQKHUVQNKFPIZ-JOCHJYFZSA-N 0 3 482.673 3.329 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1Cc1ccc(C)cc1C ZINC001305788219 1069296300 /nfs/dbraw/zinc/29/63/00/1069296300.db2.gz TYXYLNSKYLMWOV-OAQYLSRUSA-N 0 3 468.646 3.020 20 0 JGADHN Cc1cc2c(ncnc2N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)n1S(=O)(=O)c1ccccc1 ZINC001164722593 720353373 /nfs/dbraw/zinc/35/33/73/720353373.db2.gz FMLJACSPBMHTSG-DHIUTWEWSA-N 0 3 474.590 3.225 20 0 JGADHN Fc1ccccc1N1CCN(c2cc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)ncn2)CC1 ZINC001164732827 720449602 /nfs/dbraw/zinc/44/96/02/720449602.db2.gz OMCQHHCSCAPRSP-BJKOFHAPSA-N 0 3 459.573 3.191 20 0 JGADHN c1cc(C2OCCCO2)ccc1-c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164746897 720741826 /nfs/dbraw/zinc/74/18/26/720741826.db2.gz YVXOSQMETSTLHP-PKTZIBPZSA-N 0 3 459.550 3.316 20 0 JGADHN Cc1sc2nc(CN3CCCC3)nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1C ZINC001164737857 720761798 /nfs/dbraw/zinc/76/17/98/720761798.db2.gz DCRYEZOVVLGDNB-OALUTQOASA-N 0 3 465.627 3.036 20 0 JGADHN c1cncc(-c2nc3sc4c(c3c(N3CCN5C[C@@H](Oc6cncnc6)C[C@H]5C3)n2)CCC4)c1 ZINC001164739333 720764280 /nfs/dbraw/zinc/76/42/80/720764280.db2.gz IHLSNXRTBYWONA-ROUUACIJSA-N 0 3 471.590 3.374 20 0 JGADHN CCS(=O)(=O)c1ccnc(N2CC[C@]3(CN(CC4CC4)C[C@@H]3COCc3cccnc3)C2)c1 ZINC001164755203 720939792 /nfs/dbraw/zinc/93/97/92/720939792.db2.gz ZTFKGPSHDUSYIL-RDGATRHJSA-N 0 3 470.639 3.025 20 0 JGADHN CC(C)CN1[C@@H]2CCN(c3cc(CN(C)C)ccn3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001164757843 720972045 /nfs/dbraw/zinc/97/20/45/720972045.db2.gz RAMOBUIJMDQPOR-RTWAWAEBSA-N 0 3 458.628 3.220 20 0 JGADHN CC(C)N(C)Cc1cnc2n1CCN(c1cc(N3CCN(c4ccccc4)CC3)ncn1)[C@H]2C ZINC001164862295 721011591 /nfs/dbraw/zinc/01/15/91/721011591.db2.gz PWMMHQXCDVUDIV-NRFANRHFSA-N 0 3 460.630 3.421 20 0 JGADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)nc5c(Cl)nc(Cl)nc54)C[C@@H]3C2)cn1 ZINC001164773763 721097028 /nfs/dbraw/zinc/09/70/28/721097028.db2.gz YEYQINMXYQXRBN-NEPJUHHUSA-N 0 3 453.765 3.072 20 0 JGADHN Cn1cc(CN2CC[C@H]3CN(c4nc(Cl)nc5c(Cl)nc(Cl)nc54)C[C@H]3C2)cn1 ZINC001164773766 721098166 /nfs/dbraw/zinc/09/81/66/721098166.db2.gz YEYQINMXYQXRBN-NWDGAFQWSA-N 0 3 453.765 3.072 20 0 JGADHN COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164866927 721120798 /nfs/dbraw/zinc/12/07/98/721120798.db2.gz VFOYCEVGTFAGGC-UXHICEINSA-N 0 3 483.613 3.232 20 0 JGADHN Cc1sc2nc(CN3CCOCC3)nc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1C ZINC001164874527 721144766 /nfs/dbraw/zinc/14/47/66/721144766.db2.gz KKERNRILRDQAAN-FCHUYYIVSA-N 0 3 494.665 3.015 20 0 JGADHN COC[C@H]1CC2(CN1C(=O)c1cccn1C)CCN(c1ncccc1CN1CCCC1)CC2 ZINC001164876202 721225017 /nfs/dbraw/zinc/22/50/17/721225017.db2.gz ZVUXPJDZAUTZSW-JOCHJYFZSA-N 0 3 451.615 3.164 20 0 JGADHN CC[C@@H]1C(=O)N(C)c2cnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2N1C1CCCC1 ZINC001164904073 721532826 /nfs/dbraw/zinc/53/28/26/721532826.db2.gz FDPVJKXLCTUVKT-AKIFATBCSA-N 0 3 494.615 3.462 20 0 JGADHN Fc1cccc(O[C@H]2C[C@@H]3CN(c4ncnc5c4ncn5Cc4ccccc4F)CCN3C2)c1 ZINC001164903069 721541726 /nfs/dbraw/zinc/54/17/26/721541726.db2.gz BZTAQFABVHXUOR-CTNGQTDRSA-N 0 3 462.504 3.495 20 0 JGADHN Cc1cc2nc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164904120 721542240 /nfs/dbraw/zinc/54/22/40/721542240.db2.gz FGCZQZVYYCWOLU-UYAOXDASSA-N 0 3 469.586 3.317 20 0 JGADHN COc1cccc(CN2C[C@H]3CCN(c4ncccc4CN4CCCC4)CC[C@@H]3S2(=O)=O)c1 ZINC001164805629 721592824 /nfs/dbraw/zinc/59/28/24/721592824.db2.gz LHVMFCCJGOHKFT-QPPBQGQZSA-N 0 3 470.639 3.117 20 0 JGADHN COc1cccc(CN2C[C@@H]3CCN(c4ncccc4CN4CCCC4)CC[C@@H]3S2(=O)=O)c1 ZINC001164805632 721592942 /nfs/dbraw/zinc/59/29/42/721592942.db2.gz LHVMFCCJGOHKFT-URXFXBBRSA-N 0 3 470.639 3.117 20 0 JGADHN COC(=O)c1cc2c(OC)[nH]c(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)cc-2n1 ZINC001164907449 721702339 /nfs/dbraw/zinc/70/23/39/721702339.db2.gz SYBKYRXRSJGXFL-HSZRJFAPSA-N 0 3 471.508 3.491 20 0 JGADHN CCOC(=O)c1nc2ccn(C)c2c(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164908064 721719453 /nfs/dbraw/zinc/71/94/53/721719453.db2.gz UYIMSWINIJFMOW-HSZRJFAPSA-N 0 3 470.524 3.278 20 0 JGADHN CCOC(=O)c1cnc(C(F)(F)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc1Cl ZINC001164961182 722052384 /nfs/dbraw/zinc/05/23/84/722052384.db2.gz UMLHZKJRGSKRPS-UHFFFAOYSA-N 0 3 495.958 3.366 20 0 JGADHN CCOC(=O)c1sc2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1C ZINC001164983492 722099865 /nfs/dbraw/zinc/09/98/65/722099865.db2.gz QMDXMSCYGMIQJT-MOPGFXCFSA-N 0 3 467.595 3.299 20 0 JGADHN CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c21 ZINC001164981639 722100032 /nfs/dbraw/zinc/10/00/32/722100032.db2.gz LUSSAUHRWQWPBW-IFMALSPDSA-N 0 3 486.576 3.182 20 0 JGADHN O=C(c1cc(Cl)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1)N1CCCCC1 ZINC001164980780 722105734 /nfs/dbraw/zinc/10/57/34/722105734.db2.gz KJRMVHCKWYVBPW-RBBKRZOGSA-N 0 3 470.017 3.483 20 0 JGADHN COc1cc2nc(Cl)c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc2cc1OC ZINC001164980494 722120470 /nfs/dbraw/zinc/12/04/70/722120470.db2.gz RIVKTACOWVBEAT-VGSWGCGISA-N 0 3 469.973 3.423 20 0 JGADHN FC(F)(c1ccc2ncnc(Cl)c2n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164981972 722127016 /nfs/dbraw/zinc/12/70/16/722127016.db2.gz VLCAXKZHIJHRKY-AEFFLSMTSA-N 0 3 460.916 3.345 20 0 JGADHN CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974396 722132696 /nfs/dbraw/zinc/13/26/96/722132696.db2.gz DQJRLEVLJUHMLU-RCZVLFRGSA-N 0 3 474.609 3.138 20 0 JGADHN FC(F)[C@](F)(COc1cncc(Cl)n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983816 722146430 /nfs/dbraw/zinc/14/64/30/722146430.db2.gz VJPXHQKCMRKGSP-FVJLSDCUSA-N 0 3 471.911 3.058 20 0 JGADHN COc1ccc(-c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)c(OC)c1OC ZINC001164977977 722151303 /nfs/dbraw/zinc/15/13/03/722151303.db2.gz JAHYPWFHBUCGSE-RDPSFJRHSA-N 0 3 491.592 3.292 20 0 JGADHN O=C(Nc1cccnc1Cl)OCC(F)(F)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164972450 722153447 /nfs/dbraw/zinc/15/34/47/722153447.db2.gz HVPGDTJXFDXWOA-HKUYNNGSSA-N 0 3 481.931 3.494 20 0 JGADHN CC[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](OCC(C)C)C1)N1CCCC1 ZINC001305814481 1069346552 /nfs/dbraw/zinc/34/65/52/1069346552.db2.gz IDBRZQKJTYJEBY-FCHUYYIVSA-N 0 3 489.686 3.474 20 0 JGADHN CC[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](OCC(C)C)C1)N1CCCC1 ZINC001305814484 1069346334 /nfs/dbraw/zinc/34/63/34/1069346334.db2.gz IDBRZQKJTYJEBY-VXKWHMMOSA-N 0 3 489.686 3.474 20 0 JGADHN CC[C@]1(C)CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2CN2CCC(O)CC2)C1 ZINC001305862044 1069419043 /nfs/dbraw/zinc/41/90/43/1069419043.db2.gz NBQOFKZDNWKFLJ-AREMUKBSSA-N 0 3 468.646 3.048 20 0 JGADHN CCc1ccc([C@H](Cn2c(C(=O)Nc3ccccn3)nnc2N(C)Cc2cnccn2)N(C)C)cc1 ZINC001305914612 1069469807 /nfs/dbraw/zinc/46/98/07/1069469807.db2.gz CSPJWVZIYURYTR-QFIPXVFZSA-N 0 3 485.596 3.217 20 0 JGADHN CCc1ccc([C@@H](Cn2c(CC(C)C)nnc2N2CCN(c3cccnn3)CC2)N(C)C)cc1 ZINC001305915642 1069470309 /nfs/dbraw/zinc/47/03/09/1069470309.db2.gz AZETWSLXFOQANO-HSZRJFAPSA-N 0 3 462.646 3.459 20 0 JGADHN CCc1ccc([C@H](Cn2c(CN3CCCC3=O)nnc2N(C)C[C@H]2CCCOC2)N(C)C)cc1 ZINC001305915300 1069470368 /nfs/dbraw/zinc/47/03/68/1069470368.db2.gz AKWGVOABPSNSEX-GGAORHGYSA-N 0 3 468.646 3.129 20 0 JGADHN CCc1ccc([C@@H](Cn2c(C3CCN(c4ncccn4)CC3)nnc2N(C)OC)N(C)C)cc1 ZINC001305916887 1069471375 /nfs/dbraw/zinc/47/13/75/1069471375.db2.gz FMBGKBGMXFJZHE-JOCHJYFZSA-N 0 3 464.618 3.315 20 0 JGADHN CCc1ccc([C@H](Cn2c(N3CC(C)(OC)C3)nnc2[C@]2(OC(C)C)CCOC2)N(C)C)cc1 ZINC001305918066 1069472581 /nfs/dbraw/zinc/47/25/81/1069472581.db2.gz CNHOSUJHMSKQAE-NVQXNPDNSA-N 0 3 471.646 3.409 20 0 JGADHN CCc1ccc([C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)CC[C@H]2C)N(C)C)cc1 ZINC001305920241 1069475695 /nfs/dbraw/zinc/47/56/95/1069475695.db2.gz XKEXJBVHCYCADD-WEMPKCCASA-N 0 3 476.691 3.378 20 0 JGADHN CCc1ccc([C@H](Cn2c([C@@H]3CCOC3)nnc2N2CCCN(C(=O)C(C)C)CC2)N(C)C)cc1 ZINC001305920508 1069475716 /nfs/dbraw/zinc/47/57/16/1069475716.db2.gz SGPTWSLXQKIHMG-RPWUZVMVSA-N 0 3 482.673 3.342 20 0 JGADHN CCc1ccc([C@H](Cn2c([C@H]3CCCCO3)nnc2N2CC(=O)N(C)C[C@@H]2C)N(C)C)cc1 ZINC001305920806 1069476277 /nfs/dbraw/zinc/47/62/77/1069476277.db2.gz UQUJQODGKDEUTP-YUXAGFNASA-N 0 3 454.619 3.052 20 0 JGADHN CCc1ccc([C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CC(=O)N(C)C[C@@H]2C)N(C)C)cc1 ZINC001305920805 1069476335 /nfs/dbraw/zinc/47/63/35/1069476335.db2.gz UQUJQODGKDEUTP-NYVOZVTQSA-N 0 3 454.619 3.052 20 0 JGADHN CCc1ccc([C@H](Cn2c([C@H]3CCCO3)nnc2N2CCC(C(=O)OC)CC2)N(C)C)cc1 ZINC001305921049 1069476787 /nfs/dbraw/zinc/47/67/87/1069476787.db2.gz QZOSGTYIDJPZFN-FCHUYYIVSA-N 0 3 455.603 3.384 20 0 JGADHN CCc1ccc([C@@H](Cn2c([C@H]3CCCO3)nnc2N2CCC[C@@H](C(=O)OC)C2)N(C)C)cc1 ZINC001305921643 1069477412 /nfs/dbraw/zinc/47/74/12/1069477412.db2.gz VJGVIUYBKOQCRN-YPAWHYETSA-N 0 3 455.603 3.384 20 0 JGADHN CN(CC(=O)NC(C)(C)C)c1nnc(CC(C)(C)C)n1CCCN1CCN(c2ccccc2)CC1 ZINC001298213136 1064129445 /nfs/dbraw/zinc/12/94/45/1064129445.db2.gz GQVQVNQPHPMEQD-UHFFFAOYSA-N 0 3 483.705 3.430 20 0 JGADHN CN(C)[C@H](Cn1c([C@H]2CCCO2)nnc1N(C)CC(C)(C)CN1CCOCC1)c1ccccc1 ZINC001298239273 1064143475 /nfs/dbraw/zinc/14/34/75/1064143475.db2.gz GUANFEYRHDIRNX-DHIUTWEWSA-N 0 3 470.662 3.227 20 0 JGADHN CN(Cc1cc(Cl)ccn1)c1nnc(CNC(=O)c2cccs2)n1CCN1CC=CCC1 ZINC001298265841 1064159519 /nfs/dbraw/zinc/15/95/19/1064159519.db2.gz LWDMEAYQMLQICX-UHFFFAOYSA-N 0 3 472.018 3.216 20 0 JGADHN CN(Cc1cc(F)c(F)c(F)c1)c1nnc(Cc2cccnc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001298269527 1064162032 /nfs/dbraw/zinc/16/20/32/1064162032.db2.gz UNCZQPQGXVUEJC-UHFFFAOYSA-N 0 3 487.574 3.344 20 0 JGADHN CC(C)(C)N1C(=O)C[C@H](C(=O)NC[C@@H]2CCCCN2CCO)[C@H]1c1ccc(Cl)c(F)c1 ZINC001298288266 1064174376 /nfs/dbraw/zinc/17/43/76/1064174376.db2.gz IXPDFRUTIGQWMT-XGHQBKJUSA-N 0 3 453.986 3.130 20 0 JGADHN CN(C)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(OC(F)F)cc2)CCCC1 ZINC001298315118 1064190080 /nfs/dbraw/zinc/19/00/80/1064190080.db2.gz PLVRJIKWVWVWBQ-SFHVURJKSA-N 0 3 497.612 3.292 20 0 JGADHN CN1C[C@H]2CCN(C(=O)c3ccc(CNS(=O)(=O)c4ccc(C(C)(C)C)cc4)cc3)[C@H]2C1 ZINC001298378290 1064225406 /nfs/dbraw/zinc/22/54/06/1064225406.db2.gz XIZIYSVASVMQQB-OFNKIYASSA-N 0 3 455.624 3.239 20 0 JGADHN COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)cc1OC ZINC001298379103 1064225807 /nfs/dbraw/zinc/22/58/07/1064225807.db2.gz ZAQVGFPJYXUAOH-ATZDWAIDSA-N 0 3 453.539 3.117 20 0 JGADHN O=C(Nc1cccc(CN2CC[C@H](O)C2)c1)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC001298378805 1064226061 /nfs/dbraw/zinc/22/60/61/1064226061.db2.gz QAZBBFGHGHWTTK-AZUAARDMSA-N 0 3 459.493 3.098 20 0 JGADHN CN(Cc1nc(C(F)(F)F)cs1)c1nnc([C@H]2CCCO2)n1CCN1CCN(C)C(C)(C)C1 ZINC001298439465 1064251982 /nfs/dbraw/zinc/25/19/82/1064251982.db2.gz CELOLFDFVKAJTP-OAHLLOKOSA-N 0 3 487.596 3.267 20 0 JGADHN CN(C)[C@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)CC2CCCCC2)CCSC1 ZINC001298528231 1064294028 /nfs/dbraw/zinc/29/40/28/1064294028.db2.gz TZEPQMCVPUTLPF-QHCPKHFHSA-N 0 3 457.648 3.379 20 0 JGADHN CN(C[C@H]1CCCCO1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1N(C)CCCC1(C)C ZINC001298538446 1064300566 /nfs/dbraw/zinc/30/05/66/1064300566.db2.gz ZPUUOPAPXODSLQ-RTBURBONSA-N 0 3 455.607 3.051 20 0 JGADHN CN(CCC(F)(F)F)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1N(C)CCCC1(C)C ZINC001298591391 1064364815 /nfs/dbraw/zinc/36/48/15/1064364815.db2.gz FLIATMDPCCMKKV-OAHLLOKOSA-N 0 3 453.513 3.434 20 0 JGADHN CN(CCC1CCOCC1)c1nnc(Cc2ccccc2F)n1CCN1CCN(C)C(C)(C)C1 ZINC001298648568 1064422704 /nfs/dbraw/zinc/42/27/04/1064422704.db2.gz GQIQCNIKDGEMTF-UHFFFAOYSA-N 0 3 472.653 3.287 20 0 JGADHN CN(C)C1(Cn2c(-c3ccccc3Br)nnc2N(C)CCCS(C)(=O)=O)CCCC1 ZINC001298692192 1064491622 /nfs/dbraw/zinc/49/16/22/1064491622.db2.gz ZZPXAHAEZNQZPG-UHFFFAOYSA-N 0 3 498.491 3.453 20 0 JGADHN CN(CCn1c(-c2ccc(Cl)cc2)nnc1N(CCS(C)(=O)=O)C1CC1)C1CCCC1 ZINC001298699042 1064502434 /nfs/dbraw/zinc/50/24/34/1064502434.db2.gz YQAGZOFZOILTBS-UHFFFAOYSA-N 0 3 466.051 3.486 20 0 JGADHN CN(CCn1c(-c2ccccn2)nnc1N1CCO[C@@H](C(F)(F)F)C1)Cc1ccc(F)cc1 ZINC001298704623 1064507535 /nfs/dbraw/zinc/50/75/35/1064507535.db2.gz MCVKYAIELNNTDP-LJQANCHMSA-N 0 3 464.467 3.379 20 0 JGADHN CN(CCn1c(Cc2cccnc2)nnc1N1CCN(C(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC001298712024 1064518251 /nfs/dbraw/zinc/51/82/51/1064518251.db2.gz KLCNGFAVPQLPPP-UHFFFAOYSA-N 0 3 457.623 3.051 20 0 JGADHN CN(CCn1c(N2CCN(Cc3cscn3)CC2)nnc1C(C)(C)C)Cc1ccccc1 ZINC001298720456 1064531651 /nfs/dbraw/zinc/53/16/51/1064531651.db2.gz YBPWPEICNCOXFG-UHFFFAOYSA-N 0 3 453.660 3.486 20 0 JGADHN CN(CCn1cccn1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1N(C)CCCC1(C)C ZINC001298721162 1064532335 /nfs/dbraw/zinc/53/23/35/1064532335.db2.gz WQRBSMYIGXHMEZ-OAQYLSRUSA-N 0 3 499.063 3.315 20 0 JGADHN CN(CCOC(C)(C)C)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCN(C)C(C)(C)C1 ZINC001298748379 1064560196 /nfs/dbraw/zinc/56/01/96/1064560196.db2.gz PLLBZKFEWZKMOB-UHFFFAOYSA-N 0 3 496.498 3.313 20 0 JGADHN CN(CCOC(C)(C)C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CCN1CCCCC1 ZINC001298749665 1064560727 /nfs/dbraw/zinc/56/07/27/1064560727.db2.gz GNELHYXRYDGPJQ-UHFFFAOYSA-N 0 3 453.591 3.331 20 0 JGADHN O=C(N[C@H](CO)CN1CCCC1)c1cc(Cl)nc(Oc2ccc(Br)cc2)c1 ZINC001298750664 1064561778 /nfs/dbraw/zinc/56/17/78/1064561778.db2.gz BALAXIBPFKLCBP-HNNXBMFYSA-N 0 3 454.752 3.476 20 0 JGADHN CN(CCOc1ccccc1Cl)c1nnc([C@H]2CCCO2)n1CCN1CCN(C)C(C)(C)C1 ZINC001298767077 1064575080 /nfs/dbraw/zinc/57/50/80/1064575080.db2.gz ZEYLFTAEFRIOMM-OAQYLSRUSA-N 0 3 477.053 3.324 20 0 JGADHN COC(=O)CC[C@@H]1CC[C@H](C(=O)N(Cc2ccccc2Br)C2CCN(C)CC2)O1 ZINC001298822449 1064623699 /nfs/dbraw/zinc/62/36/99/1064623699.db2.gz ZFHXHGOWOYAVKM-AZUAARDMSA-N 0 3 467.404 3.373 20 0 JGADHN CN(CCCN(C)C(=O)[C@@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2)Cc1ccncc1 ZINC001298846872 1064650579 /nfs/dbraw/zinc/65/05/79/1064650579.db2.gz QFZCILFBLYWYMN-JYFHCDHNSA-N 0 3 450.583 3.411 20 0 JGADHN CN1CCN(CCn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1(C)C ZINC001298895704 1064702789 /nfs/dbraw/zinc/70/27/89/1064702789.db2.gz CRWHQKBCGOVHQH-IBGZPJMESA-N 0 3 476.069 3.271 20 0 JGADHN CNC(=O)[C@H](C)CN(C)c1nnc(Cc2ccsc2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001298988827 1064772660 /nfs/dbraw/zinc/77/26/60/1064772660.db2.gz FUZQZTUTUAWBLR-UZLBHIALSA-N 0 3 458.607 3.191 20 0 JGADHN CNC(=O)c1ccc(CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H](c2ccsc2)N(C)C)cc1 ZINC001299041856 1064833715 /nfs/dbraw/zinc/83/37/15/1064833715.db2.gz XQQVRHFJWZVXLV-OAQYLSRUSA-N 0 3 478.626 3.039 20 0 JGADHN CNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H](c2ccccc2OC)N2CCCC2)CC1 ZINC001299100950 1064907662 /nfs/dbraw/zinc/90/76/62/1064907662.db2.gz XWQIAGRBSVCMOM-OAQYLSRUSA-N 0 3 454.619 3.210 20 0 JGADHN CN(C)CCN(Cc1ccsc1)C(=O)C1=NOC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001299153245 1064947554 /nfs/dbraw/zinc/94/75/54/1064947554.db2.gz GUPPMCLOIOMERD-UHFFFAOYSA-N 0 3 450.605 3.184 20 0 JGADHN 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489.686 3.299 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(C(C)C)CC3)n2C[C@@H](C(C)C)N2CCOCC2)cc1 ZINC001492383274 1065447078 /nfs/dbraw/zinc/44/70/78/1065447078.db2.gz QGGDHKDHHVREBG-DEOSSOPVSA-N 0 3 470.662 3.053 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(CC(C)C)CC3)n2CCNC(=O)C(C)C)cc1C ZINC001492383703 1065448793 /nfs/dbraw/zinc/44/87/93/1065448793.db2.gz AYISACKONAAJBL-UHFFFAOYSA-N 0 3 456.635 3.024 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(CCC(C)(C)C)CC3)n2C[C@@H]2COCCO2)cc1C ZINC001492391285 1065455530 /nfs/dbraw/zinc/45/55/30/1065455530.db2.gz RAQSZXOXXDWGJH-HSZRJFAPSA-N 0 3 471.646 3.448 20 0 JGADHN Cc1ccc(SCc2nnc(N3CCN(CC(C)C)CC3)n2CC(=O)NCC2CC2)cc1 ZINC001492467892 1065515386 /nfs/dbraw/zinc/51/53/86/1065515386.db2.gz PJSDVVFPAFINNA-UHFFFAOYSA-N 0 3 456.660 3.183 20 0 JGADHN CO[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCC[C@H](C)C2)CC[C@@H]1C ZINC001300800648 1065532696 /nfs/dbraw/zinc/53/26/96/1065532696.db2.gz UHJGZJBILJSKJS-CNNODRBYSA-N 0 3 489.064 3.455 20 0 JGADHN 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ZINC001301213572 1066036965 /nfs/dbraw/zinc/03/69/65/1066036965.db2.gz YRFCACQRMYBXGR-UHFFFAOYSA-N 0 3 469.659 3.473 20 0 JGADHN COCC1CCN(c2nnc(Cc3cccnc3)n2CCN(C)Cc2ccc(F)cc2)CC1 ZINC001301328366 1066121559 /nfs/dbraw/zinc/12/15/59/1066121559.db2.gz FMFMMDSQJFATJI-UHFFFAOYSA-N 0 3 452.578 3.398 20 0 JGADHN COC[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@H](c2cccc(OC)c2)N(C)C)C1 ZINC001301329030 1066122149 /nfs/dbraw/zinc/12/21/49/1066122149.db2.gz OMZFCEVHHMAYKX-NZQKXSOJSA-N 0 3 450.587 3.048 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(COC)CC2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001301344599 1066135969 /nfs/dbraw/zinc/13/59/69/1066135969.db2.gz PCULLSVEGJZNOS-WWNPGLIZSA-N 0 3 475.609 3.307 20 0 JGADHN COC[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2N(C)CCCC2(C)C)CCO1 ZINC001301345098 1066135977 /nfs/dbraw/zinc/13/59/77/1066135977.db2.gz FIUDSTJJSOCYJK-FCHUYYIVSA-N 0 3 484.645 3.119 20 0 JGADHN CCCN1CC[C@H](NC(=O)c2cc(S(=O)(=O)N(C)c3ccc(OCC)cc3)ccc2C)C1 ZINC001301380005 1066172121 /nfs/dbraw/zinc/17/21/21/1066172121.db2.gz VITIDBSNQNMGSW-IBGZPJMESA-N 0 3 459.612 3.433 20 0 JGADHN COC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2C[C@H](c2cccc(F)c2)N(C)C)C[C@H](C)O1 ZINC001301399842 1066180648 /nfs/dbraw/zinc/18/06/48/1066180648.db2.gz QDMKLNNXQUSTIG-WQTXXOFMSA-N 0 3 488.633 3.316 20 0 JGADHN CN(C)CCn1nccc1C(=O)N1CCc2cc(Br)c(Br)cc2C1 ZINC001301401832 1066182618 /nfs/dbraw/zinc/18/26/18/1066182618.db2.gz OKVFODRLNLZRSO-UHFFFAOYSA-N 0 3 456.182 3.168 20 0 JGADHN COC[C@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CCN2CCCCC2)C[C@@H](C)O1 ZINC001301404847 1066187036 /nfs/dbraw/zinc/18/70/36/1066187036.db2.gz HGKXPJYIPYPQFX-FGZHOGPDSA-N 0 3 457.619 3.200 20 0 JGADHN CC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2Cl)C[C@H](C)N1 ZINC001301427310 1066223006 /nfs/dbraw/zinc/22/30/06/1066223006.db2.gz OUSHNUKGYXNBCE-FUHWJXTLSA-N 0 3 450.004 3.373 20 0 JGADHN COCC[C@@](C)(O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C2CCCC2)CC1 ZINC001301459758 1066279740 /nfs/dbraw/zinc/27/97/40/1066279740.db2.gz 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CVSJTXBRTVFCGP-RTBURBONSA-N 0 3 486.686 3.482 20 0 JGADHN CC(C)(C)C(=O)N1CCN(c2nnc(CCCc3ccccc3)n2CCN2CC=CCC2)CC1 ZINC001302005475 1066344247 /nfs/dbraw/zinc/34/42/47/1066344247.db2.gz IQHWVEVEPUDOLE-UHFFFAOYSA-N 0 3 464.658 3.410 20 0 JGADHN COCCCCCn1c(C2CCCC2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001301539161 1066366917 /nfs/dbraw/zinc/36/69/17/1066366917.db2.gz GAUFNWIOHZHDJD-REWPJTCUSA-N 0 3 460.667 3.131 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CC[C@H](c3ccccc3C)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001302017238 1066366968 /nfs/dbraw/zinc/36/69/68/1066366968.db2.gz SCNYDQJNRWBCKQ-GOTSBHOMSA-N 0 3 484.689 3.330 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CC[C@H](c3ccccc3C)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001302017242 1066367196 /nfs/dbraw/zinc/36/71/96/1066367196.db2.gz SCNYDQJNRWBCKQ-PKTZIBPZSA-N 0 3 484.689 3.330 20 0 JGADHN CN(CCO)CCN(C)C(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)Cl ZINC001301547712 1066377048 /nfs/dbraw/zinc/37/70/48/1066377048.db2.gz PEKCKWADJAMBJI-UHFFFAOYSA-N 0 3 454.827 3.175 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCC(CN3CCOCC3)CC2)n1C[C@@H]1CCSC1(C)C ZINC001302025234 1066383398 /nfs/dbraw/zinc/38/33/98/1066383398.db2.gz QFTKXROMTNFZPG-FPOVZHCZSA-N 0 3 481.707 3.082 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCC(CN3CCOCC3)CC2)n1C[C@@H]1CCSC1(C)C ZINC001302025233 1066383431 /nfs/dbraw/zinc/38/34/31/1066383431.db2.gz QFTKXROMTNFZPG-CTNGQTDRSA-N 0 3 481.707 3.082 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCc3cc(C)ccc32)n1CCN1CCN(C)C(C)(C)C1 ZINC001302043034 1066421495 /nfs/dbraw/zinc/42/14/95/1066421495.db2.gz LYMZWBUSHMZNLP-HXUWFJFHSA-N 0 3 456.635 3.031 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCC[C@@H](C)C2)n1Cc1ccccc1CN1CCC(O)CC1 ZINC001302053194 1066443764 /nfs/dbraw/zinc/44/37/64/1066443764.db2.gz QZFQKCUBXBOZSS-RTWAWAEBSA-N 0 3 471.646 3.243 20 0 JGADHN C/C(=C/c1ccccc1)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(N(C)C)CCSC1 ZINC001301623801 1066482150 /nfs/dbraw/zinc/48/21/50/1066482150.db2.gz OHJHFMYUBYYYLF-FMSWRSJMSA-N 0 3 468.671 3.491 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC001302081348 1066500152 /nfs/dbraw/zinc/50/01/52/1066500152.db2.gz XBJXKNOQTZRGKJ-UXHICEINSA-N 0 3 496.697 3.472 20 0 JGADHN CC(=O)N(C)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 ZINC001301641413 1066505526 /nfs/dbraw/zinc/50/55/26/1066505526.db2.gz IUEGRJNQZGGQPX-DEOSSOPVSA-N 0 3 479.604 3.153 20 0 JGADHN CC(=O)N1CC[C@@H](CN(C)c2nnc(C(C)(C)C)n2CCCN2CCN(c3ccccc3)CC2)C1 ZINC001301647738 1066512293 /nfs/dbraw/zinc/51/22/93/1066512293.db2.gz IMVJOFLXNOXEDI-QHCPKHFHSA-N 0 3 481.689 3.093 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCN(C3CCOCC3)CC2)n1Cc1cccc(C(C)(F)F)c1 ZINC001302091388 1066519298 /nfs/dbraw/zinc/51/92/98/1066519298.db2.gz BWPUDBGEFYKWNR-IBGZPJMESA-N 0 3 493.599 3.463 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C(C)C)C2)n1CC1(N2CCSCC2)CCCC1 ZINC001302096405 1066526111 /nfs/dbraw/zinc/52/61/11/1066526111.db2.gz GUMIWDKKKFLUCX-LEWJYISDSA-N 0 3 481.707 3.225 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCN(C3CCC(C)CC3)CC2)n1C[C@@](C)(O)c1ccco1 ZINC001302096213 1066526618 /nfs/dbraw/zinc/52/66/18/1066526618.db2.gz YEOXFPKLZRIUDF-FDGVBHLWSA-N 0 3 475.634 3.204 20 0 JGADHN CC(C)(C)c1nnc(N2CCN(CC3CCOCC3)CC2)n1CCOc1ccc(F)c(F)c1 ZINC001302097364 1066529459 /nfs/dbraw/zinc/52/94/59/1066529459.db2.gz VAPPGMWOHKGZNB-UHFFFAOYSA-N 0 3 463.573 3.481 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1C[C@@H](c1ccccc1)N(C)C ZINC001302100203 1066533414 /nfs/dbraw/zinc/53/34/14/1066533414.db2.gz WZUNBRMKBBNRDF-NZSAHSFTSA-N 0 3 471.524 3.073 20 0 JGADHN CC(=O)N1CC[C@@H](CN(C)c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC001301663320 1066536546 /nfs/dbraw/zinc/53/65/46/1066536546.db2.gz VBVSKFXAFODUQY-ZCYQVOJMSA-N 0 3 492.672 3.056 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCO[C@@H](c3ccc(F)cc3F)C2)n1CCN1CCCCC1 ZINC001302104551 1066538903 /nfs/dbraw/zinc/53/89/03/1066538903.db2.gz DBQUEMWEORIGKB-PGRDOPGGSA-N 0 3 479.572 3.344 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCS[C@@H](C)C2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001302110335 1066549346 /nfs/dbraw/zinc/54/93/46/1066549346.db2.gz DOBUFGFJNXKLPB-SQGPQFPESA-N 0 3 451.612 3.386 20 0 JGADHN CC(C)(C)[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2CCCCC2)CCO1 ZINC001302111551 1066551601 /nfs/dbraw/zinc/55/16/01/1066551601.db2.gz LGQYDMIHTSNSGW-JOCHJYFZSA-N 0 3 489.686 3.476 20 0 JGADHN COCCN(C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001301703834 1066592469 /nfs/dbraw/zinc/59/24/69/1066592469.db2.gz SXEYCNXBEYEWTD-JOCHJYFZSA-N 0 3 470.643 3.008 20 0 JGADHN COCCOc1ncccc1Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001302145079 1066594304 /nfs/dbraw/zinc/59/43/04/1066594304.db2.gz NEFLYBCZGRHUFC-UHFFFAOYSA-N 0 3 498.603 3.385 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)(C)C)n3Cc3ccccc3F)C[C@@H]2C)CC1 ZINC001301707022 1066597095 /nfs/dbraw/zinc/59/70/95/1066597095.db2.gz ANSGDTMJJQSOSK-AVRDEDQJSA-N 0 3 456.610 3.142 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)C)n3C[C@H](C)Oc3ccccc3)C[C@@H]2C)CC1 ZINC001301707662 1066598451 /nfs/dbraw/zinc/59/84/51/1066598451.db2.gz DZDPSWSYWCDFDB-WRALFONMSA-N 0 3 482.673 3.323 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(COc4ccc(F)cc4)n3CC(C)C)C[C@H]2C)CC1 ZINC001301707697 1066598581 /nfs/dbraw/zinc/59/85/81/1066598581.db2.gz FBQBARLTTHFZAK-AUSIDOKSSA-N 0 3 472.609 3.031 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)C)n3Cc3ccnc(C(F)(F)F)c3)C[C@@H]2C)CC1 ZINC001301708173 1066599526 /nfs/dbraw/zinc/59/95/26/1066599526.db2.gz IXURAHHALFKDAG-PXNSSMCTSA-N 0 3 493.578 3.243 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3CCc3sc(C)nc3C)C[C@H]2C)CC1 ZINC001301710316 1066604072 /nfs/dbraw/zinc/60/40/72/1066604072.db2.gz YLLWATXYWQTZRB-DYESRHJHSA-N 0 3 473.691 3.096 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@@H]3CSCCS3)C[C@H]2C)CC1 ZINC001301710563 1066604896 /nfs/dbraw/zinc/60/48/96/1066604896.db2.gz ZGXLSKYVUFIHRL-HMXCVIKNSA-N 0 3 494.775 3.094 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)C)n3CCc3sc(C)nc3C)C[C@@H]2C)CC1 ZINC001301710319 1066604918 /nfs/dbraw/zinc/60/49/18/1066604918.db2.gz YLLWATXYWQTZRB-UWJYYQICSA-N 0 3 473.691 3.096 20 0 JGADHN COCCO[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC001302159218 1066616051 /nfs/dbraw/zinc/61/60/51/1066616051.db2.gz KZKBZLTUSMMASD-DNVJHFABSA-N 0 3 457.619 3.373 20 0 JGADHN CC(C)(C)Cc1nnc(N2CCN(C(C)(C)C)CC2)n1CCn1cc(Br)cn1 ZINC001302165383 1066627553 /nfs/dbraw/zinc/62/75/53/1066627553.db2.gz KFYCYTCWOFTTKG-UHFFFAOYSA-N 0 3 452.445 3.446 20 0 JGADHN COCCN(C)CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 ZINC001301721646 1066627741 /nfs/dbraw/zinc/62/77/41/1066627741.db2.gz JRJIXRIQAGNILQ-JXQFQVJHSA-N 0 3 494.036 3.034 20 0 JGADHN CC(C)(C)Cc1nnc(N2CCN(CCCOCC(F)(F)F)CC2)n1C[C@@H]1CCn2ccnc2C1 ZINC001302177455 1066653171 /nfs/dbraw/zinc/65/31/71/1066653171.db2.gz WXKVGLNWVKRMCY-LJQANCHMSA-N 0 3 497.610 3.417 20 0 JGADHN CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2cccs2)N(C)C)[C@H](C)C1 ZINC001301734649 1066655377 /nfs/dbraw/zinc/65/53/77/1066655377.db2.gz QPLJCEGSTOATAZ-YLJYHZDGSA-N 0 3 453.616 3.070 20 0 JGADHN COCCN(C)CCn1c(Cc2c(F)cccc2F)nnc1N1CC=C(C(F)(F)F)CC1 ZINC001301734518 1066655963 /nfs/dbraw/zinc/65/59/63/1066655963.db2.gz PEHJZWAAZACXGI-UHFFFAOYSA-N 0 3 459.463 3.424 20 0 JGADHN CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2ccc(C)cc2)N(C)C)[C@@H](C)C1 ZINC001301734595 1066655973 /nfs/dbraw/zinc/65/59/73/1066655973.db2.gz XTSIMEKLIWRFBF-VJBMBRPKSA-N 0 3 454.619 3.188 20 0 JGADHN COCCN(C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC2(C1)CCC(F)(F)CC2 ZINC001301735806 1066658021 /nfs/dbraw/zinc/65/80/21/1066658021.db2.gz DXAWJQFKLJPZEW-UHFFFAOYSA-N 0 3 496.628 3.254 20 0 JGADHN COCCN(C)CCn1c(CC2CC2)nnc1N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001301736158 1066658183 /nfs/dbraw/zinc/65/81/83/1066658183.db2.gz IUXNSYSSCRCZAM-HXUWFJFHSA-N 0 3 467.536 3.406 20 0 JGADHN COCCN(C)CCn1c(CC2CCCC2)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001301736293 1066658854 /nfs/dbraw/zinc/65/88/54/1066658854.db2.gz JVDRBQLLHYRRLN-NRFANRHFSA-N 0 3 478.682 3.425 20 0 JGADHN COCCN(C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@]2(CC=CCC2)C1 ZINC001301736964 1066659648 /nfs/dbraw/zinc/65/96/48/1066659648.db2.gz QUPZJOBAEZOCBU-XMMPIXPASA-N 0 3 472.659 3.175 20 0 JGADHN COCCN(C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(Cn2cc(C)cn2)CC1 ZINC001301741157 1066662588 /nfs/dbraw/zinc/66/25/88/1066662588.db2.gz NRWOKQKNZXZDTJ-DHIUTWEWSA-N 0 3 487.693 3.196 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2(O)CCOC2)CC1 ZINC001302191825 1066675578 /nfs/dbraw/zinc/67/55/78/1066675578.db2.gz BVVOKUFJHZIWHY-XMMPIXPASA-N 0 3 462.038 3.232 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(Cc3ccccn3)n2CCCNC(=O)C2CCC2)CC1 ZINC001302193596 1066678838 /nfs/dbraw/zinc/67/88/38/1066678838.db2.gz SKOLXURVADLPLB-UHFFFAOYSA-N 0 3 467.662 3.129 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC(=O)NCC2CC2)CC1 ZINC001302194088 1066681161 /nfs/dbraw/zinc/68/11/61/1066681161.db2.gz VZSYTIOPPYBVFK-UHFFFAOYSA-N 0 3 472.609 3.081 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H]2COCCO2)CC1 ZINC001302202839 1066698695 /nfs/dbraw/zinc/69/86/95/1066698695.db2.gz KHMUQTVGITZJCM-GOSISDBHSA-N 0 3 464.408 3.044 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H]2COCCO2)CC1 ZINC001302202840 1066698724 /nfs/dbraw/zinc/69/87/24/1066698724.db2.gz KHMUQTVGITZJCM-SFHVURJKSA-N 0 3 464.408 3.044 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(C(N)=O)CCCC2)CC1 ZINC001302203551 1066699977 /nfs/dbraw/zinc/69/99/77/1066699977.db2.gz UJWKFTLWEVABDS-UHFFFAOYSA-N 0 3 460.573 3.113 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(CCOc3ccccc3)n2CCC(=O)N2CCCCC2)CC1 ZINC001302203515 1066700110 /nfs/dbraw/zinc/70/01/10/1066700110.db2.gz SUDAWZGBEALARF-UHFFFAOYSA-N 0 3 468.646 3.223 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCC2CCOCC2)CC1 ZINC001302203778 1066700613 /nfs/dbraw/zinc/70/06/13/1066700613.db2.gz WGNDJRNRTZKCQR-UHFFFAOYSA-N 0 3 474.675 3.397 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC2(O)CCC2)CC1 ZINC001302204048 1066701335 /nfs/dbraw/zinc/70/13/35/1066701335.db2.gz VNEVHHQJGGVRLW-UHFFFAOYSA-N 0 3 475.037 3.087 20 0 JGADHN COCCOCCn1c(-c2ccccc2Br)nnc1N1CCN(CC(C)C)CC1 ZINC001302224375 1066735610 /nfs/dbraw/zinc/73/56/10/1066735610.db2.gz MCCMUVZEDZZDLY-UHFFFAOYSA-N 0 3 466.424 3.149 20 0 JGADHN CC(=O)NC1CCC(N(C)c2nnc(CCc3ccccc3)n2CCN2CC=CCC2)CC1 ZINC001301807374 1066760814 /nfs/dbraw/zinc/76/08/14/1066760814.db2.gz LCWBETUYBYKDLG-UHFFFAOYSA-N 0 3 450.631 3.209 20 0 JGADHN CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1CCc1ccncc1 ZINC001302239756 1066762289 /nfs/dbraw/zinc/76/22/89/1066762289.db2.gz CROCBTKTILSEDB-NRFANRHFSA-N 0 3 499.660 3.145 20 0 JGADHN CC(=O)N[C@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2N(C)CCCC2(C)C)C1 ZINC001301813609 1066768579 /nfs/dbraw/zinc/76/85/79/1066768579.db2.gz MPRXYNYNEPGNNS-GOTSBHOMSA-N 0 3 495.672 3.373 20 0 JGADHN CC(=O)N[C@H]1CCCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](c2cccc(F)c2)N(C)C)C1 ZINC001301830426 1066796580 /nfs/dbraw/zinc/79/65/80/1066796580.db2.gz YGUPFKPNRKKURE-UNMCSNQZSA-N 0 3 485.633 3.181 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H]2CCCCO2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001302259036 1066804756 /nfs/dbraw/zinc/80/47/56/1066804756.db2.gz FLQWDDYGTAPHLH-SNJCGAMXSA-N 0 3 475.609 3.449 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H]2CCCCO2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001302259037 1066804806 /nfs/dbraw/zinc/80/48/06/1066804806.db2.gz FLQWDDYGTAPHLH-UDIDDNNKSA-N 0 3 475.609 3.449 20 0 JGADHN CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(Br)cc3)n2CCN2CC=CCC2)C1 ZINC001301854348 1066833383 /nfs/dbraw/zinc/83/33/83/1066833383.db2.gz VQCCEUYLMPVKBT-LJQANCHMSA-N 0 3 487.446 3.322 20 0 JGADHN CN(C)CCn1c(=O)[nH]c2ccc(C(=O)N3CC(Cc4cccc(Br)c4)C3)cc21 ZINC001301866838 1066857906 /nfs/dbraw/zinc/85/79/06/1066857906.db2.gz FWGAXEVOHPPMGF-UHFFFAOYSA-N 0 3 457.372 3.381 20 0 JGADHN CC(C)(C)OC(=O)N[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CCN2CC=CCC2)C1 ZINC001302286649 1066858724 /nfs/dbraw/zinc/85/87/24/1066858724.db2.gz JSZDQPDOUMDJEB-LJQANCHMSA-N 0 3 458.632 3.296 20 0 JGADHN CC(=O)NC[C@H]1CCCN(c2nnc(CC(C)C)n2C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC001301867804 1066859132 /nfs/dbraw/zinc/85/91/32/1066859132.db2.gz NFJMJDJZWYYNSH-JWQCQUIFSA-N 0 3 482.673 3.120 20 0 JGADHN CC(=O)NC[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC001301871669 1066865893 /nfs/dbraw/zinc/86/58/93/1066865893.db2.gz FIDYLZAUWOJPIK-AKIFATBCSA-N 0 3 454.619 3.093 20 0 JGADHN COCCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN(C)Cc2ccc(F)cc2)CC1 ZINC001301886512 1066898004 /nfs/dbraw/zinc/89/80/04/1066898004.db2.gz AHFBKRUTBJLXMV-UHFFFAOYSA-N 0 3 488.011 3.033 20 0 JGADHN CC(C)(C)OCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)(C)C)CC1 ZINC001302310033 1066902743 /nfs/dbraw/zinc/90/27/43/1066902743.db2.gz VQOJBPWBVNFPGG-IBGZPJMESA-N 0 3 494.681 3.322 20 0 JGADHN COCCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCCn2ccnc2C)C[C@@H]1C ZINC001301888543 1066904499 /nfs/dbraw/zinc/90/44/99/1066904499.db2.gz RPQJXVPIANTVSK-SFHVURJKSA-N 0 3 473.025 3.136 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CCCCC3)CC2)n1CCCOC(F)F ZINC001302312123 1066906724 /nfs/dbraw/zinc/90/67/24/1066906724.db2.gz OZUFICVTROURDE-HKUYNNGSSA-N 0 3 457.566 3.086 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C(C)C)C2)n1C[C@@H](c1cccs1)N(C)C ZINC001302312236 1066907063 /nfs/dbraw/zinc/90/70/63/1066907063.db2.gz XBBAJEYTQWLXSR-HUUJSLGLSA-N 0 3 463.648 3.228 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CCSCC(C)C ZINC001302312709 1066908444 /nfs/dbraw/zinc/90/84/44/1066908444.db2.gz ZGIJSYAILOIUDR-ONTIZHBOSA-N 0 3 481.707 3.081 20 0 JGADHN COCCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CN(CC(C)C)CCO2)C[C@H]1C ZINC001301896045 1066918111 /nfs/dbraw/zinc/91/81/11/1066918111.db2.gz DFWCKIYJULLVOZ-NHCUHLMSSA-N 0 3 491.080 3.112 20 0 JGADHN COCCN1CCN(c2nnc(-c3ccccc3C)n2C[C@H](c2ccco2)N(C)C)C[C@H]1C ZINC001301896435 1066919508 /nfs/dbraw/zinc/91/95/08/1066919508.db2.gz JVFGKMCPIOFSOB-IFMALSPDSA-N 0 3 452.603 3.306 20 0 JGADHN CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](c2ccsc2)N(C)C)CCO1 ZINC001301900359 1066925316 /nfs/dbraw/zinc/92/53/16/1066925316.db2.gz LNMFUGKVGUXLEK-SFTDATJTSA-N 0 3 489.045 3.304 20 0 JGADHN CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccc(C(N)=O)cc1 ZINC001302331262 1066931471 /nfs/dbraw/zinc/93/14/71/1066931471.db2.gz ZZXUUVZBQLVXHG-NHCUHLMSSA-N 0 3 468.646 3.264 20 0 JGADHN CC(C)(CN1CCCC1)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001302349670 1066944908 /nfs/dbraw/zinc/94/49/08/1066944908.db2.gz FWMVMPMVDCELFC-FQEVSTJZSA-N 0 3 477.650 3.143 20 0 JGADHN COCCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H](c2ccccc2Cl)N(C)C)C[C@@H]1C ZINC001301918339 1066948531 /nfs/dbraw/zinc/94/85/31/1066948531.db2.gz IIXCOIFOOUYEAG-GBXCKJPGSA-N 0 3 498.075 3.377 20 0 JGADHN COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C(C)(C)C)n2C[C@@H](c2ccco2)N2CCCC2)C1 ZINC001301931020 1066968693 /nfs/dbraw/zinc/96/86/93/1066968693.db2.gz OWOHRXZXYMLMMF-HBMCJLEFSA-N 0 3 486.661 3.373 20 0 JGADHN CO[C@H]1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001302388777 1066969820 /nfs/dbraw/zinc/96/98/20/1066969820.db2.gz APCTZBCHUNOZPS-NQIIRXRSSA-N 0 3 477.053 3.323 20 0 JGADHN CC(C)C(=O)N1CCN(c2nnc(-c3ccccn3)n2C[C@H](c2ccsc2)N(C)C)CC1 ZINC001302405955 1066987157 /nfs/dbraw/zinc/98/71/57/1066987157.db2.gz QVYRJPSJLXGYKV-HXUWFJFHSA-N 0 3 453.616 3.009 20 0 JGADHN CC(C)C(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2cccs2)N(C)C)C1 ZINC001302417387 1067000178 /nfs/dbraw/zinc/00/01/78/1067000178.db2.gz KSQFRDCJQHGQNE-RTWAWAEBSA-N 0 3 481.670 3.369 20 0 JGADHN CC1=C(Br)CN(c2nnc(CC(C)C)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001304003358 1067046062 /nfs/dbraw/zinc/04/60/62/1067046062.db2.gz IAJXCCZAYVMIPD-UHFFFAOYSA-N 0 3 453.473 3.382 20 0 JGADHN CC1=C(Br)CN(c2nnc([C@@H]3CCCCO3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001304004114 1067046468 /nfs/dbraw/zinc/04/64/68/1067046468.db2.gz OWZZHMLZDSJUBZ-IBGZPJMESA-N 0 3 481.483 3.425 20 0 JGADHN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(CC(C)C)CC3)n2C[C@H]2CCC(=O)N2)c1C ZINC001304031991 1067080700 /nfs/dbraw/zinc/08/07/00/1067080700.db2.gz YUKJEDQSCPHOET-LEWJYISDSA-N 0 3 454.619 3.092 20 0 JGADHN CC(C)[C@](C)(O)Cn1c(-c2ccccc2F)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001302483151 1067082103 /nfs/dbraw/zinc/08/21/03/1067082103.db2.gz BFDJFAQTPNMSHH-RUZDIDTESA-N 0 3 469.609 3.289 20 0 JGADHN CCN1C[C@H](NC(=O)[C@@H]2CCCCN2C(=O)c2ccc(Br)c(F)c2)C(C)(C)C1 ZINC001304041951 1067085932 /nfs/dbraw/zinc/08/59/32/1067085932.db2.gz AHZPXPPEXDXUCG-ROUUACIJSA-N 0 3 454.384 3.429 20 0 JGADHN Cc1nc([C@@H]2CCCN(c3nnc([C@H]4CCS(=O)(=O)C4)n3CC(C)(C)CN(C)C)C2)sc1C ZINC001304044200 1067086525 /nfs/dbraw/zinc/08/65/25/1067086525.db2.gz CUGPJXSWIQENOT-MOPGFXCFSA-N 0 3 494.731 3.225 20 0 JGADHN Cc1nc([C@H]2CCCN(c3nnc([C@@H]4CCS(=O)(=O)C4)n3CC(C)(C)CN(C)C)C2)sc1C ZINC001304044207 1067086821 /nfs/dbraw/zinc/08/68/21/1067086821.db2.gz CUGPJXSWIQENOT-RBUKOAKNSA-N 0 3 494.731 3.225 20 0 JGADHN Cc1nc([C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3CCN3CCC[C@@H]3C)C2)sc1C ZINC001304045431 1067087981 /nfs/dbraw/zinc/08/79/81/1067087981.db2.gz PQVKQYSPPUZADG-LPHOPBHVSA-N 0 3 459.664 3.358 20 0 JGADHN CC(C)[C@](C)(O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001302488556 1067088362 /nfs/dbraw/zinc/08/83/62/1067088362.db2.gz PCTUHGHQAWOXBE-MUUNZHRXSA-N 0 3 496.700 3.394 20 0 JGADHN Cc1ncsc1CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCCC1 ZINC001304076150 1067119948 /nfs/dbraw/zinc/11/99/48/1067119948.db2.gz GSLVSUVRCCEMFZ-UHFFFAOYSA-N 0 3 474.034 3.359 20 0 JGADHN CC(C)[C@@H](C)NC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCN2CCCCC2)CC1 ZINC001302511137 1067121241 /nfs/dbraw/zinc/12/12/41/1067121241.db2.gz QPVLVLVWMDHFQD-IRLDBZIGSA-N 0 3 460.667 3.383 20 0 JGADHN CC(C)[C@H](Cn1c(N(C)CCS(C)(=O)=O)nnc1C1(c2ccccc2)CCC1)N1CCCC1 ZINC001302528950 1067157097 /nfs/dbraw/zinc/15/70/97/1067157097.db2.gz OTOUEPIYHAGHGA-QFIPXVFZSA-N 0 3 473.687 3.349 20 0 JGADHN CSC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001302531466 1067160594 /nfs/dbraw/zinc/16/05/94/1067160594.db2.gz QICFBDFELDYMNN-FQEVSTJZSA-N 0 3 491.105 3.407 20 0 JGADHN Cc1c(Cl)cccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001304128670 1067166870 /nfs/dbraw/zinc/16/68/70/1067166870.db2.gz RUQJTQZIKRALPS-NRFANRHFSA-N 0 3 488.080 3.031 20 0 JGADHN CS[C@H](C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(CC(C)C)CC1 ZINC001302542125 1067173802 /nfs/dbraw/zinc/17/38/02/1067173802.db2.gz RJEJKLIBCBSGGQ-QGZVFWFLSA-N 0 3 465.067 3.391 20 0 JGADHN COC(=O)[C@](C)(Cn1cnc2ccccc21)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001304136443 1067174913 /nfs/dbraw/zinc/17/49/13/1067174913.db2.gz ZSLXKUWYRDBIMA-CLOONOSVSA-N 0 3 452.530 3.136 20 0 JGADHN Cc1cc(C(=O)NC2CCN(c3nnc(CC(C)C)n3CCN3CCN(C)C(C)(C)C3)CC2)c(C)o1 ZINC001304146303 1067189600 /nfs/dbraw/zinc/18/96/00/1067189600.db2.gz AZQMRMKOLKBHMP-UHFFFAOYSA-N 0 3 499.704 3.111 20 0 JGADHN CC(C)c1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1Cc1ccc(C[S@@](C)=O)cc1 ZINC001302571343 1067210748 /nfs/dbraw/zinc/21/07/48/1067210748.db2.gz NSVMZVDGGDGCQD-UUWRZZSWSA-N 0 3 483.686 3.126 20 0 JGADHN CS[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CN2CCOCC2)CC1)C(C)(C)C ZINC001302579991 1067217802 /nfs/dbraw/zinc/21/78/02/1067217802.db2.gz LDFYUOLLRBRYTM-RTWAWAEBSA-N 0 3 465.708 3.498 20 0 JGADHN Cc1cc(C)cc(OCc2nnc(N3CCN(CC(C)C)CC3)n2CCC(=O)NC(C)C)c1 ZINC001304181326 1067230288 /nfs/dbraw/zinc/23/02/88/1067230288.db2.gz BUSOWWJRXWGQMB-UHFFFAOYSA-N 0 3 456.635 3.167 20 0 JGADHN Cc1cc(C)cc(OCc2nnc(N3CCS(=O)(=O)CC3)n2C[C@H](C2CCCCC2)N(C)C)c1 ZINC001304183326 1067233975 /nfs/dbraw/zinc/23/39/75/1067233975.db2.gz IDNMILQJDJTBFG-HSZRJFAPSA-N 0 3 489.686 3.219 20 0 JGADHN Cc1cc(C)nc(N2CCN(c3nnc(C(C)C)n3C[C@H](c3cccs3)N(C)C)CC2)n1 ZINC001304190118 1067240018 /nfs/dbraw/zinc/24/00/18/1067240018.db2.gz GFCPTVPPXQDQSV-LJQANCHMSA-N 0 3 454.648 3.499 20 0 JGADHN Cc1cc(C)nc(N2CCN(c3nnc(C(C)C)n3C[C@@H](c3cccs3)N(C)C)CC2)n1 ZINC001304190116 1067240049 /nfs/dbraw/zinc/24/00/49/1067240049.db2.gz GFCPTVPPXQDQSV-IBGZPJMESA-N 0 3 454.648 3.499 20 0 JGADHN Cc1cc(-c2nnc(N(C)CCS(C)(=O)=O)n2C[C@@H](C)N2CCC[C@H](C)C2)c2ccccc2n1 ZINC001304192249 1067243233 /nfs/dbraw/zinc/24/32/33/1067243233.db2.gz NZPYFMUGQRZKCB-AZUAARDMSA-N 0 3 484.670 3.403 20 0 JGADHN Cc1cc(-c2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2CCN(C)C(C)C)c2ccccc2n1 ZINC001304194687 1067244121 /nfs/dbraw/zinc/24/41/21/1067244121.db2.gz BEJAJXKXPNCFGP-LJQANCHMSA-N 0 3 470.643 3.155 20 0 JGADHN CC(C)c1nnc(N2CCC(CN3CCOCC3)CC2)n1CC(F)(F)CNC(=O)OC(C)(C)C ZINC001302629564 1067260129 /nfs/dbraw/zinc/26/01/29/1067260129.db2.gz QLLBKEKQEFFMIB-UHFFFAOYSA-N 0 3 486.608 3.110 20 0 JGADHN CC(C)c1nnc(N2CCC(N3CCCNC3=O)CC2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001302633965 1067263046 /nfs/dbraw/zinc/26/30/46/1067263046.db2.gz RFVBEHRJHVQKLX-OAQYLSRUSA-N 0 3 457.598 3.228 20 0 JGADHN Cc1ccc(C(=O)NC2CCN(c3nnc(C(C)C)n3CCN3CCN(C)C(C)(C)C3)CC2)s1 ZINC001304260377 1067295552 /nfs/dbraw/zinc/29/55/52/1067295552.db2.gz RSWBUHAHJOFPSS-UHFFFAOYSA-N 0 3 487.718 3.196 20 0 JGADHN CC(C)c1nnc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001302671265 1067297158 /nfs/dbraw/zinc/29/71/58/1067297158.db2.gz PKCDEGHPHAPRHJ-QFIPXVFZSA-N 0 3 454.619 3.190 20 0 JGADHN Cc1ccc(C(C)C)c(OCc2nnc(N3CCOCC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001304270749 1067305633 /nfs/dbraw/zinc/30/56/33/1067305633.db2.gz FCLCJYLZSDFCOX-HSZRJFAPSA-N 0 3 498.672 3.068 20 0 JGADHN Cc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@H]3OCC[C@@H]3C2)N(C)C)cc1 ZINC001304271917 1067307556 /nfs/dbraw/zinc/30/75/56/1067307556.db2.gz GNYFPKRUBLQBIX-FSSWDIPSSA-N 0 3 454.619 3.033 20 0 JGADHN Cc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC(C)(C)OC(C)(C)C2)N(C)C)cc1 ZINC001304273260 1067309352 /nfs/dbraw/zinc/30/93/52/1067309352.db2.gz JOBYOWDMKRPIAH-FQEVSTJZSA-N 0 3 456.635 3.421 20 0 JGADHN Cc1noc(C2(C)CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](c3ccc(C)cc3)N(C)C)CC2)n1 ZINC001304273412 1067309858 /nfs/dbraw/zinc/30/98/58/1067309858.db2.gz KKAOASQKTIYOOK-OAQYLSRUSA-N 0 3 494.644 3.277 20 0 JGADHN Cc1noc(C)c1CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccc(C)cc1)N(C)C ZINC001304274959 1067311983 /nfs/dbraw/zinc/31/19/83/1067311983.db2.gz OUWGWZDRDZZIKP-LEWJYISDSA-N 0 3 451.575 3.082 20 0 JGADHN Cc1ccc([C@@H](C)Cn2c(CC(C)C)nnc2N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC001304276732 1067315458 /nfs/dbraw/zinc/31/54/58/1067315458.db2.gz UQPCVCFVQMNDOX-QFIPXVFZSA-N 0 3 452.647 3.333 20 0 JGADHN Cc1ccc([C@@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)CCOC(C)(C)C)N(C)C)cc1 ZINC001304277582 1067316172 /nfs/dbraw/zinc/31/61/72/1067316172.db2.gz XRFDGNKSHWOAAK-OAQYLSRUSA-N 0 3 456.635 3.377 20 0 JGADHN CC(C)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1C[C@@](O)(c1ccccc1)C(F)(F)F ZINC001302691051 1067316582 /nfs/dbraw/zinc/31/65/82/1067316582.db2.gz BHDOETKOPXKNEJ-PGRDOPGGSA-N 0 3 467.536 3.010 20 0 JGADHN Cc1ccc([C@H](Cn2c(N3CCCOCC3)nnc2[C@]2(OC(C)C)CCOC2)N(C)C)cc1 ZINC001304278388 1067317648 /nfs/dbraw/zinc/31/76/48/1067317648.db2.gz ONEZEOHOYSARFP-DHLKQENFSA-N 0 3 457.619 3.157 20 0 JGADHN Cc1ccc([C@H](Cn2c([C@@H]3CCOC3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)N(C)C)cc1 ZINC001304278589 1067318699 /nfs/dbraw/zinc/31/86/99/1067318699.db2.gz NCEFQBSVXAWLFN-NRSPTQNISA-N 0 3 480.579 3.466 20 0 JGADHN CSC[C@@H]1CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H](C)N(C)Cc1ccccc1 ZINC001302708178 1067329617 /nfs/dbraw/zinc/32/96/17/1067329617.db2.gz VRZUJCCRVFQIQA-BVSLBCMMSA-N 0 3 491.727 3.423 20 0 JGADHN Cc1ccc(C)c(OCc2nnc(N3CCN(C(C)(C)C)CC3)n2CCNC(=O)c2ccco2)c1 ZINC001304289110 1067333790 /nfs/dbraw/zinc/33/37/90/1067333790.db2.gz NZRMEZQHHLSEER-UHFFFAOYSA-N 0 3 480.613 3.417 20 0 JGADHN Cc1ccc(C)c(OCc2nnc(N3CCN(CC(C)C)CC3)n2Cc2ccc(C)n(C)c2=O)c1 ZINC001304292830 1067341783 /nfs/dbraw/zinc/34/17/83/1067341783.db2.gz XGPAUWUMDPMVOF-UHFFFAOYSA-N 0 3 478.641 3.307 20 0 JGADHN CC(C)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(C)C)CC1)N1CCCC1 ZINC001302762300 1067363882 /nfs/dbraw/zinc/36/38/82/1067363882.db2.gz QCDNNEKEUPUHEB-NHCUHLMSSA-N 0 3 451.681 3.173 20 0 JGADHN CC(C)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001302764396 1067364781 /nfs/dbraw/zinc/36/47/81/1067364781.db2.gz UEUAQQHQLQDICI-UHFFFAOYSA-N 0 3 487.718 3.168 20 0 JGADHN CC(C)[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(N(C)C)CCC2)CCS1 ZINC001302771790 1067369490 /nfs/dbraw/zinc/36/94/90/1067369490.db2.gz CTDALEJPGVJVHB-HXUWFJFHSA-N 0 3 477.700 3.411 20 0 JGADHN CSCCCN(C)c1nnc([C@@H]2CCOC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001302788395 1067379926 /nfs/dbraw/zinc/37/99/26/1067379926.db2.gz IGHAOAGUWYKJFZ-FGZHOGPDSA-N 0 3 459.660 3.262 20 0 JGADHN CSCCCN(C)c1nnc([C@H]2CCOC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001302788396 1067380141 /nfs/dbraw/zinc/38/01/41/1067380141.db2.gz IGHAOAGUWYKJFZ-VXKWHMMOSA-N 0 3 459.660 3.262 20 0 JGADHN Cc1ccc([C@@H]2CCCN2c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2ccccc2)N(C)C)o1 ZINC001304334546 1067381086 /nfs/dbraw/zinc/38/10/86/1067381086.db2.gz ZHBUOVRLRNWIQI-SESVDKBCSA-N 0 3 486.642 3.434 20 0 JGADHN Cc1ccc(CCn2c(N3CCN(C(=O)CN4CCCC4)CC3)nnc2C(C)(C)C)c(C)c1 ZINC001304337537 1067383453 /nfs/dbraw/zinc/38/34/53/1067383453.db2.gz WRVKBTRFXAXIKX-UHFFFAOYSA-N 0 3 452.647 3.180 20 0 JGADHN Cc1ccc(CN(C)c2nnc(Cc3ccsc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)o1 ZINC001304341615 1067385966 /nfs/dbraw/zinc/38/59/66/1067385966.db2.gz BBMBKWMOJXAOFE-NRFANRHFSA-N 0 3 470.643 3.411 20 0 JGADHN CC(C)C[C@@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@H](S(C)(=O)=O)C1)N(C)C ZINC001302816326 1067403155 /nfs/dbraw/zinc/40/31/55/1067403155.db2.gz GTHQKARJIHLHMD-ZWKOTPCHSA-N 0 3 458.632 3.026 20 0 JGADHN CC(C)C[C@@H](Cn1c(C2CCC2)nnc1N1CCN(C(=O)c2ccccc2[O-])CC1)[NH+](C)C ZINC001302821759 1067410540 /nfs/dbraw/zinc/41/05/40/1067410540.db2.gz YPQOTFJGFOIGQJ-FQEVSTJZSA-N 0 3 454.619 3.190 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N(C)Cc3cnn(C)c3)n2CCN2CCC[C@H]2C)cc1C ZINC001304374890 1067414236 /nfs/dbraw/zinc/41/42/36/1067414236.db2.gz ORVTZDIFRYUCBQ-LJQANCHMSA-N 0 3 450.591 3.001 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N(C)CC3COC(C)(C)OC3)n2CCN2CCC[C@@H]2C)cc1C ZINC001304375477 1067415767 /nfs/dbraw/zinc/41/57/67/1067415767.db2.gz MQXNHJJNQDSAHY-FQEVSTJZSA-N 0 3 484.645 3.467 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCOC[C@H]3C)n2C[C@H]2N(C)CCCC2(C)C)cc1C ZINC001304386000 1067439056 /nfs/dbraw/zinc/43/90/56/1067439056.db2.gz CEKSPRUGKCMERN-TZIWHRDSSA-N 0 3 454.619 3.493 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@@]2(N(C)C)CCSC2)cc1C ZINC001304386361 1067440491 /nfs/dbraw/zinc/44/04/91/1067440491.db2.gz FBUOEEFMOAECNT-GLDPYIMESA-N 0 3 472.659 3.198 20 0 JGADHN CC(C)Cc1nnc(N(Cc2ccco2)C[C@H]2CCCO2)n1CCN1CCN(C)C(C)(C)C1 ZINC001302860915 1067443641 /nfs/dbraw/zinc/44/36/41/1067443641.db2.gz IZTOWALEQCELTN-JOCHJYFZSA-N 0 3 458.651 3.281 20 0 JGADHN C[C@@H]1CN(C2CCOCC2)CCN1c1nnc(CCc2ccccc2)n1CCNC(=O)OC(C)(C)C ZINC001302866331 1067447250 /nfs/dbraw/zinc/44/72/50/1067447250.db2.gz KVJQVJFPBAVCFO-OAQYLSRUSA-N 0 3 498.672 3.278 20 0 JGADHN C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](c2ccc(F)cc2)N(C)C)C[C@H](C)O1 ZINC001302898920 1067480765 /nfs/dbraw/zinc/48/07/65/1067480765.db2.gz OVGOZGXNZVGRIL-FUHIMQAGSA-N 0 3 486.617 3.325 20 0 JGADHN C[C@H]1CN(C2CCOCC2)CCN1c1nnc(Cc2c(F)cccc2F)n1CCOCC(F)F ZINC001302901938 1067486010 /nfs/dbraw/zinc/48/60/10/1067486010.db2.gz UTYOKNRRJBEMAM-INIZCTEOSA-N 0 3 485.526 3.118 20 0 JGADHN C[C@H]1CN(C2CCOCC2)CCN1c1nnc(CNC(=O)c2cccs2)n1CCC(C)(F)F ZINC001302901796 1067486057 /nfs/dbraw/zinc/48/60/57/1067486057.db2.gz PVKMEFFMMWVDGF-INIZCTEOSA-N 0 3 482.601 3.004 20 0 JGADHN C[C@H]1CN(C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1C[C@H]1CCN(CC(F)(F)F)C1 ZINC001302902600 1067487562 /nfs/dbraw/zinc/48/75/62/1067487562.db2.gz LUHAAEOUXVYYDB-ROUUACIJSA-N 0 3 472.600 3.149 20 0 JGADHN C[C@@H]1CN(CCN(C)c2nnc(Cc3cccnc3)n2C[C@@H](c2cccs2)N(C)C)C[C@H](C)O1 ZINC001302908869 1067493476 /nfs/dbraw/zinc/49/34/76/1067493476.db2.gz MFOCQCHVKZEYCZ-VWPQPMDRSA-N 0 3 483.686 3.174 20 0 JGADHN FC(F)(Br)Cn1c(C2CCCC2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001302921972 1067502085 /nfs/dbraw/zinc/50/20/85/1067502085.db2.gz AMRMPWBXAIWGAF-UHFFFAOYSA-N 0 3 462.383 3.472 20 0 JGADHN FC(F)(Br)Cn1c(C2CCCC2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001302922150 1067502148 /nfs/dbraw/zinc/50/21/48/1067502148.db2.gz GPGUNXCUSYMVFO-UHFFFAOYSA-N 0 3 462.383 3.472 20 0 JGADHN CC(C)Cc1nnc(N2CCCN(Cc3cnn(C)c3)CC2)n1C[C@H](c1cccs1)N(C)C ZINC001302937058 1067510193 /nfs/dbraw/zinc/51/01/93/1067510193.db2.gz HWZQOUPRTJVGKQ-OAQYLSRUSA-N 0 3 470.691 3.287 20 0 JGADHN FC(F)(F)CN1CCCN(c2nnc(CCc3ccccc3)n2CCN2CC=CCC2)CC1 ZINC001302937934 1067511404 /nfs/dbraw/zinc/51/14/04/1067511404.db2.gz RULUHQCZGDZVOG-UHFFFAOYSA-N 0 3 462.564 3.400 20 0 JGADHN Cc1ccc(SCc2nnc(N3CCC(CC(N)=O)CC3)n2CCN2CCCCC2)cc1 ZINC001304433894 1067513011 /nfs/dbraw/zinc/51/30/11/1067513011.db2.gz KEUITYNYMGUHIB-UHFFFAOYSA-N 0 3 456.660 3.457 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1CCN1CC=CCC1 ZINC001302939897 1067513798 /nfs/dbraw/zinc/51/37/98/1067513798.db2.gz OMIJVPBOVWZCDG-UHFFFAOYSA-N 0 3 457.022 3.354 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCc1nc(C(C)(C)C)cs1 ZINC001302943936 1067516747 /nfs/dbraw/zinc/51/67/47/1067516747.db2.gz MNMMLNLMGQXRGG-UHFFFAOYSA-N 0 3 487.718 3.218 20 0 JGADHN FC(F)C(F)(F)CN1CCN(c2nnc(-c3ccccc3)n2CCN2CC=CCC2)CC1 ZINC001302945301 1067518148 /nfs/dbraw/zinc/51/81/48/1067518148.db2.gz OAWDXIDUXDACSA-UHFFFAOYSA-N 0 3 452.500 3.229 20 0 JGADHN CC(C)Cc1nnc(N2CCN(c3cccc(F)c3F)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001302946803 1067520279 /nfs/dbraw/zinc/52/02/79/1067520279.db2.gz GSLOPFGAADDFFH-UHFFFAOYSA-N 0 3 475.632 3.107 20 0 JGADHN CC(C)Cc1nnc(N2CCN(Cc3ccccc3)C[C@H]2C)n1CCN1CCOCC1(C)C ZINC001302961317 1067532658 /nfs/dbraw/zinc/53/26/58/1067532658.db2.gz KEESQMSXBHJTEL-JOCHJYFZSA-N 0 3 454.663 3.298 20 0 JGADHN Cc1cccc(-c2nnc(N(C)CCNC(=O)C(C)C)n2C[C@@H](c2ccsc2)N(C)C)n1 ZINC001304459994 1067539427 /nfs/dbraw/zinc/53/94/27/1067539427.db2.gz MRFRGNGCGFINEI-FQEVSTJZSA-N 0 3 455.632 3.221 20 0 JGADHN Cc1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)n2CCS(=O)(=O)C(C)(C)C)n1 ZINC001304469902 1067549238 /nfs/dbraw/zinc/54/92/38/1067549238.db2.gz XFOCEPAJIYUBEP-UHFFFAOYSA-N 0 3 474.675 3.317 20 0 JGADHN Cc1cccc(-c2nnc(N3CCN(CC(C)C)CC3)n2CC(=O)N(C)C2CCCCC2)n1 ZINC001304479397 1067558723 /nfs/dbraw/zinc/55/87/23/1067558723.db2.gz XDQAKYKVTRJUFZ-UHFFFAOYSA-N 0 3 453.635 3.218 20 0 JGADHN Cc1ccccc1-c1nnc(N(CCS(C)(=O)=O)C2CC2)n1C[C@H]1CCCN(C(C)C)C1 ZINC001304526442 1067599403 /nfs/dbraw/zinc/59/94/03/1067599403.db2.gz PTRPNZUWQGFOSD-FQEVSTJZSA-N 0 3 459.660 3.387 20 0 JGADHN CC(C)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001303067934 1067602641 /nfs/dbraw/zinc/60/26/41/1067602641.db2.gz JTANDBWRUBDKCM-KNQAVFIVSA-N 0 3 472.609 3.346 20 0 JGADHN CC(C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001303067935 1067602657 /nfs/dbraw/zinc/60/26/57/1067602657.db2.gz JTANDBWRUBDKCM-SIKLNZKXSA-N 0 3 472.609 3.346 20 0 JGADHN Cc1ccccc1Cc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CC[C@@H](C)N1CCCCC1 ZINC001304547943 1067616764 /nfs/dbraw/zinc/61/67/64/1067616764.db2.gz RQVQKQKNKKQXJQ-IRLDBZIGSA-N 0 3 459.660 3.065 20 0 JGADHN Cc1ccccc1Cc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CC[C@@H](C)N1CCCCC1 ZINC001304547942 1067616802 /nfs/dbraw/zinc/61/68/02/1067616802.db2.gz RQVQKQKNKKQXJQ-IFMALSPDSA-N 0 3 459.660 3.065 20 0 JGADHN CC(C)CCOCCn1c(Cc2ccccc2F)nnc1N1CCN(C2CCOCC2)CC1 ZINC001303119418 1067658042 /nfs/dbraw/zinc/65/80/42/1067658042.db2.gz JQHDUQPXYRCSBM-UHFFFAOYSA-N 0 3 459.610 3.372 20 0 JGADHN CC(C)CN(C)c1nnc(Cn2ccc3ccccc32)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001303141263 1067680430 /nfs/dbraw/zinc/68/04/30/1067680430.db2.gz CDGGITPCDGTMTF-QHCPKHFHSA-N 0 3 465.646 3.316 20 0 JGADHN OCCN(Cc1ccccc1)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CC=CCC1 ZINC001303161399 1067698265 /nfs/dbraw/zinc/69/82/65/1067698265.db2.gz OVHZGOZZEMJSNM-UHFFFAOYSA-N 0 3 471.403 3.297 20 0 JGADHN CC(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001303164341 1067701604 /nfs/dbraw/zinc/70/16/04/1067701604.db2.gz MZTSEQYQFLIZFJ-IBGZPJMESA-N 0 3 475.435 3.106 20 0 JGADHN CC(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001303164343 1067701742 /nfs/dbraw/zinc/70/17/42/1067701742.db2.gz MZTSEQYQFLIZFJ-LJQANCHMSA-N 0 3 475.435 3.106 20 0 JGADHN Cc1nc(C)c(Cn2c(C(=O)NC(C)C)nnc2N2CCCN(Cc3ccccc3)CC2)s1 ZINC001304640813 1067708915 /nfs/dbraw/zinc/70/89/15/1067708915.db2.gz GGZYLFJNCDFRAX-UHFFFAOYSA-N 0 3 467.643 3.250 20 0 JGADHN CC(C)CN1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](C(F)(F)F)C2)C1 ZINC001303176682 1067709411 /nfs/dbraw/zinc/70/94/11/1067709411.db2.gz DWMYXGWZUKPPFO-FHWLQOOXSA-N 0 3 491.624 3.327 20 0 JGADHN CC(C)CN1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001303176683 1067709724 /nfs/dbraw/zinc/70/97/24/1067709724.db2.gz DWMYXGWZUKPPFO-GBESFXJTSA-N 0 3 491.624 3.327 20 0 JGADHN CC(C)CN1CCC[C@@H](Cn2c(Cc3ccsc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001303178166 1067711032 /nfs/dbraw/zinc/71/10/32/1067711032.db2.gz JRXJAIUIRNUDQW-RTWAWAEBSA-N 0 3 479.716 3.312 20 0 JGADHN CC(C)CN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)N(C)c2ccccc2)CC1 ZINC001303178803 1067712416 /nfs/dbraw/zinc/71/24/16/1067712416.db2.gz WFPBYVPDTGUBBT-OAQYLSRUSA-N 0 3 476.629 3.228 20 0 JGADHN Cc1nc(C)c(Cn2c(N3CCN(C(C)(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)s1 ZINC001304644287 1067713120 /nfs/dbraw/zinc/71/31/20/1067713120.db2.gz NMQPMKWWDHPHLX-QHCPKHFHSA-N 0 3 462.664 3.361 20 0 JGADHN CC(C)CN1CCC[C@@H](Cn2c(CCc3ccccc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001303179456 1067713784 /nfs/dbraw/zinc/71/37/84/1067713784.db2.gz WFSZEVMIJMGIAX-DHIUTWEWSA-N 0 3 473.687 3.055 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCC(=O)N(C)C)CC1 ZINC001303183211 1067715789 /nfs/dbraw/zinc/71/57/89/1067715789.db2.gz AVLRZZQKGGYGEE-UHFFFAOYSA-N 0 3 495.441 3.493 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC(C)(F)F)CC1 ZINC001303183908 1067716859 /nfs/dbraw/zinc/71/68/59/1067716859.db2.gz HXLIUERSCGGOJJ-UHFFFAOYSA-N 0 3 484.617 3.019 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCOC(F)F)CC1 ZINC001303183833 1067716932 /nfs/dbraw/zinc/71/69/32/1067716932.db2.gz GQWKDSLLEZGBRM-UHFFFAOYSA-N 0 3 461.355 3.443 20 0 JGADHN Cc1nc(Cc2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@@H](c2cccs2)N(C)C)cs1 ZINC001304650455 1067718268 /nfs/dbraw/zinc/71/82/68/1067718268.db2.gz YRDMYPRKHVVEDH-KRWDZBQOSA-N 0 3 475.688 3.349 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@H](C)N2CCOCC2)CC1 ZINC001303184881 1067718886 /nfs/dbraw/zinc/71/88/86/1067718886.db2.gz XRSPJYDTWPBUEF-KRWDZBQOSA-N 0 3 497.507 3.268 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3cnccn3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001303188497 1067722765 /nfs/dbraw/zinc/72/27/65/1067722765.db2.gz FJUGVINZQIYHIE-HXUWFJFHSA-N 0 3 484.649 3.160 20 0 JGADHN Cc1nc([C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@@H](c3ccccc3)N(C)C)CCO2)no1 ZINC001304654834 1067723280 /nfs/dbraw/zinc/72/32/80/1067723280.db2.gz ZNFOHWQWLMFPDT-PMACEKPBSA-N 0 3 453.591 3.439 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3cccn3C)n2CCc2cccc(C(=O)N(C)C)c2)CC1 ZINC001303189950 1067724237 /nfs/dbraw/zinc/72/42/37/1067724237.db2.gz XAZGAMUAYHZWBZ-UHFFFAOYSA-N 0 3 463.630 3.006 20 0 JGADHN Cc1nc(Cc2nnc(N(C)CCOc3ccccc3)n2CCN2CCN(C)C(C)(C)C2)cs1 ZINC001304660001 1067727768 /nfs/dbraw/zinc/72/77/68/1067727768.db2.gz QZWRWANJQOZIMS-UHFFFAOYSA-N 0 3 483.686 3.175 20 0 JGADHN CC(C)CN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)Sc2ccccc2)CC1 ZINC001303196869 1067731107 /nfs/dbraw/zinc/73/11/07/1067731107.db2.gz ZKGJBMKTCGESET-FQEVSTJZSA-N 0 3 456.660 3.359 20 0 JGADHN Cc1nc(Cc2nnc(N3CCN(CCC(C)(C)C)CC3)n2CC(C)(C)N2CCOCC2)cs1 ZINC001304674371 1067744672 /nfs/dbraw/zinc/74/46/72/1067744672.db2.gz OSIIJCXPXHSDIK-UHFFFAOYSA-N 0 3 489.734 3.303 20 0 JGADHN CC(C)COC(=O)N1CCCN(c2nnc([C@H]3CCCCO3)n2CCN2CCCCC2)CC1 ZINC001303211617 1067749298 /nfs/dbraw/zinc/74/92/98/1067749298.db2.gz YIRRGIZXUMTVCM-OAQYLSRUSA-N 0 3 462.639 3.310 20 0 JGADHN Cc1ncc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCN2CCC(C)CC2)s1 ZINC001304694799 1067767651 /nfs/dbraw/zinc/76/76/51/1067767651.db2.gz YUDYCJZTCFOHCE-LJQANCHMSA-N 0 3 480.704 3.094 20 0 JGADHN Cc1nccc(N2CCN(c3nnc(C(C)C)n3C[C@H](c3ccc(F)cc3)N(C)C)CC2)n1 ZINC001304699950 1067770622 /nfs/dbraw/zinc/77/06/22/1067770622.db2.gz NSSFSPXRPBXOLN-OAQYLSRUSA-N 0 3 452.582 3.269 20 0 JGADHN CC(C)CSCCn1c(N2CCN(C3CCOCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001303249622 1067776024 /nfs/dbraw/zinc/77/60/24/1067776024.db2.gz DEILAKZCUZRAOB-XMMPIXPASA-N 0 3 481.707 3.009 20 0 JGADHN Cc1nn(C)c(C)c1CN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCN1Cc1ccccc1 ZINC001304715883 1067787254 /nfs/dbraw/zinc/78/72/54/1067787254.db2.gz UGQNIKIPGYURJH-QFIPXVFZSA-N 0 3 478.645 3.068 20 0 JGADHN CC(C)N(C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)c2cccs2)CC1 ZINC001303268644 1067796978 /nfs/dbraw/zinc/79/69/78/1067796978.db2.gz KNFSETPJMKIDHH-UHFFFAOYSA-N 0 3 481.626 3.426 20 0 JGADHN Cc1nn(C)c(C)c1CN1CCN(c2nnc(C(C)C)n2C[C@@H](c2cccs2)N(C)C)CC1 ZINC001304725418 1067797625 /nfs/dbraw/zinc/79/76/25/1067797625.db2.gz MEFYHFSLPQYEGA-NRFANRHFSA-N 0 3 470.691 3.438 20 0 JGADHN CC(C)N(C)CCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001303271240 1067800068 /nfs/dbraw/zinc/80/00/68/1067800068.db2.gz OZQATNNTXTZMAY-HNNXBMFYSA-N 0 3 460.431 3.215 20 0 JGADHN CC(C)N(C)CCn1c(-c2cc3ccccc3o2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001303271332 1067800186 /nfs/dbraw/zinc/80/01/86/1067800186.db2.gz QIDGROMIMOHNLO-LJQANCHMSA-N 0 3 459.616 3.435 20 0 JGADHN CC(C)N(C)CCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)CCS(C)(=O)=O ZINC001303271805 1067801234 /nfs/dbraw/zinc/80/12/34/1067801234.db2.gz WITFYUGHTNZFBX-UHFFFAOYSA-N 0 3 453.678 3.097 20 0 JGADHN CC(C)[N@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001303278979 1067808538 /nfs/dbraw/zinc/80/85/38/1067808538.db2.gz XLUVQRDOGWAUMC-DHIUTWEWSA-N 0 3 498.672 3.205 20 0 JGADHN CC(C)[N@@H+](C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001303278979 1067808548 /nfs/dbraw/zinc/80/85/48/1067808548.db2.gz XLUVQRDOGWAUMC-DHIUTWEWSA-N 0 3 498.672 3.205 20 0 JGADHN CC(C)N(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(N(C)C)CCSC1 ZINC001303285034 1067811936 /nfs/dbraw/zinc/81/19/36/1067811936.db2.gz IPULCCZVBGHOML-QFIPXVFZSA-N 0 3 462.689 3.428 20 0 JGADHN CC(C)N(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(N(C)C)CCSC1 ZINC001303285033 1067811968 /nfs/dbraw/zinc/81/19/68/1067811968.db2.gz IPULCCZVBGHOML-JOCHJYFZSA-N 0 3 462.689 3.428 20 0 JGADHN CC(C)N(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CCCCC2)CC1)C(C)C ZINC001303296938 1067820781 /nfs/dbraw/zinc/82/07/81/1067820781.db2.gz MYWIDZLKWKLPOZ-QHCPKHFHSA-N 0 3 494.750 3.001 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N(C)Cc3ncc(Cl)n3C)n2C[C@@H](c2ccccc2)N(C)C)n1 ZINC001304743663 1067821328 /nfs/dbraw/zinc/82/13/28/1067821328.db2.gz VWVLSILEYLZBBD-FQEVSTJZSA-N 0 3 482.036 3.466 20 0 JGADHN CC(C)N1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(F)c(F)c2)C1 ZINC001303304296 1067831475 /nfs/dbraw/zinc/83/14/75/1067831475.db2.gz NCGYNCQEWZRRRJ-OALUTQOASA-N 0 3 481.613 3.215 20 0 JGADHN CC(C)N1CCN([C@H]2CCN(c3nnc(C(C)(C)C)n3C[C@@](C)(O)c3ccc(F)cc3)C2)CC1 ZINC001303316787 1067844335 /nfs/dbraw/zinc/84/43/35/1067844335.db2.gz IXUWMAYZGDGSOW-BKMJKUGQSA-N 0 3 472.653 3.227 20 0 JGADHN CC(C)N1CCN([C@@H]2CCN(c3nnc(CC4CC4)n3C[C@H](C)N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001303318220 1067848627 /nfs/dbraw/zinc/84/86/27/1067848627.db2.gz LJJUEOIJWVSHTI-RBBKRZOGSA-N 0 3 489.709 3.091 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N3CCN(CC(C)C)CC3)n2C[C@@H](C)Oc2ccccc2)n1 ZINC001304761755 1067848893 /nfs/dbraw/zinc/84/88/93/1067848893.db2.gz ZHQCIRBVCYTAOW-JOCHJYFZSA-N 0 3 451.619 3.385 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N3CCN(CC(C)C)CC3)n2C[C@@H](C)CNC(=O)OC(C)(C)C)n1 ZINC001304761766 1067849399 /nfs/dbraw/zinc/84/93/99/1067849399.db2.gz ZJEDSMHAFIXFFA-IBGZPJMESA-N 0 3 488.681 3.079 20 0 JGADHN CC(C)N1CCN([C@@H]2CCN(c3nnc([C@@H]4CCCOC4)n3CC(C)(C)C(F)(F)F)C2)CC1 ZINC001303318572 1067850063 /nfs/dbraw/zinc/85/00/63/1067850063.db2.gz VANSLBWHDZVGNB-RTBURBONSA-N 0 3 472.600 3.365 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C(C)C)C3)n2C[C@H](c2cccc(F)c2)N(C)C)n1 ZINC001304763692 1067852192 /nfs/dbraw/zinc/85/21/92/1067852192.db2.gz RJSJRVUXXQNOLA-DHIUTWEWSA-N 0 3 469.609 3.443 20 0 JGADHN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(F)c(Cl)c2)n1C[C@]1(N(C)C)CCSC1 ZINC001303330326 1067859557 /nfs/dbraw/zinc/85/95/57/1067859557.db2.gz SQFVMHBTQTVJFT-OAQYLSRUSA-N 0 3 469.030 3.283 20 0 JGADHN Cc1nnc(Cn2c(C(=O)Nc3ccc(C)c(C)c3)nnc2N2CCN(CC(C)C)CC2)s1 ZINC001304783355 1067878538 /nfs/dbraw/zinc/87/85/38/1067878538.db2.gz MRXLOSNQNYLFBS-UHFFFAOYSA-N 0 3 468.631 3.133 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CC=C(C(F)(F)F)CC2)n1CC1(N2CCSCC2)CCCC1 ZINC001303353335 1067880561 /nfs/dbraw/zinc/88/05/61/1067880561.db2.gz DOLDABHKAGEQDT-UHFFFAOYSA-N 0 3 486.608 3.477 20 0 JGADHN CC(C)NC(=O)c1nnc(N2Cc3cccc(Br)c3C2)n1C[C@]1(N(C)C)CCSC1 ZINC001303354579 1067882266 /nfs/dbraw/zinc/88/22/66/1067882266.db2.gz RFOUHJGUJDGDDK-OAQYLSRUSA-N 0 3 493.475 3.136 20 0 JGADHN CC(C)NC(=O)c1nnc(N2Cc3cccc(Br)c3C2)n1C[C@@]1(N(C)C)CCSC1 ZINC001303354578 1067882465 /nfs/dbraw/zinc/88/24/65/1067882465.db2.gz RFOUHJGUJDGDDK-NRFANRHFSA-N 0 3 493.475 3.136 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CC[C@H](C(=O)N(C)c3ccccc3)C2)n1CCN1CCCC(C)(C)C1 ZINC001303355198 1067883055 /nfs/dbraw/zinc/88/30/55/1067883055.db2.gz LYKSGSIWSIUCRJ-NRFANRHFSA-N 0 3 495.672 3.028 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCC(c3nccs3)CC2)n1CCN1CCCC(C)(C)C1 ZINC001303364645 1067891804 /nfs/dbraw/zinc/89/18/04/1067891804.db2.gz LTEDMOYKTCBOBP-UHFFFAOYSA-N 0 3 459.664 3.379 20 0 JGADHN Cc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CCc1ccc(Br)cc1 ZINC001304826792 1067895460 /nfs/dbraw/zinc/89/54/60/1067895460.db2.gz ZFTTUEXFGDQEBX-NRFANRHFSA-N 0 3 461.452 3.196 20 0 JGADHN Cc1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001304827308 1067895480 /nfs/dbraw/zinc/89/54/80/1067895480.db2.gz VPCFURBJFHERKP-QHCPKHFHSA-N 0 3 484.645 3.371 20 0 JGADHN Cc1nnc(N2CCN(C3Cc4ccccc4C3)CC2)n1C[C@H](C)CNC(=O)OC(C)(C)C ZINC001304856002 1067906553 /nfs/dbraw/zinc/90/65/53/1067906553.db2.gz JZBXUAOLJYOHCX-GOSISDBHSA-N 0 3 454.619 3.037 20 0 JGADHN Cc1noc([C@H](C)N2CCN(c3nnc(CC(C)C)n3C[C@H](c3cccs3)N(C)C)CC2)n1 ZINC001304875004 1067917681 /nfs/dbraw/zinc/91/76/81/1067917681.db2.gz KYELNMRBMSRAOP-PKOBYXMFSA-N 0 3 472.663 3.416 20 0 JGADHN Cc1noc(C)c1[C@@H](C)Cn1c(CC(C)C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001304880858 1067925608 /nfs/dbraw/zinc/92/56/08/1067925608.db2.gz ZNDUVOOYXMGODL-SIKLNZKXSA-N 0 3 457.667 3.490 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCCN(Cc3ccccc3)CC2)n1C[C@@H](C)NC(=O)OC(C)(C)C ZINC001303399335 1067927569 /nfs/dbraw/zinc/92/75/69/1067927569.db2.gz ZXMOGEUYFKIASZ-HXUWFJFHSA-N 0 3 499.660 3.042 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCCN(Cc3ccccc3)CC2)n1C[C@@]1(C)CCCS1 ZINC001303398965 1067927607 /nfs/dbraw/zinc/92/76/07/1067927607.db2.gz UVYQHEDLUPYYDF-XMMPIXPASA-N 0 3 456.660 3.414 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CCc1ccc(Cl)cc1 ZINC001303405265 1067933720 /nfs/dbraw/zinc/93/37/20/1067933720.db2.gz NQTCAFOQMLCCCI-GOSISDBHSA-N 0 3 475.037 3.002 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1Cc1cccc(C(C)(C)O)c1 ZINC001303409719 1067936519 /nfs/dbraw/zinc/93/65/19/1067936519.db2.gz JVTBZTLAHDFWTD-UHFFFAOYSA-N 0 3 470.662 3.250 20 0 JGADHN Cc1cc(Cn2c(CC(C)C)nnc2N2CCN(CCN(C)Cc3ccccc3)CC2)on1 ZINC001304899355 1067943234 /nfs/dbraw/zinc/94/32/34/1067943234.db2.gz CDWWHWUQXSIXSQ-UHFFFAOYSA-N 0 3 451.619 3.075 20 0 JGADHN C[C@H]1C[C@H](C)CN(C(C)(C)Cn2c(CC3CC3)nnc2N2CCC(S(C)(=O)=O)CC2)C1 ZINC001304909128 1067952637 /nfs/dbraw/zinc/95/26/37/1067952637.db2.gz AYRBHMUHKAKZDW-ROUUACIJSA-N 0 3 451.681 3.001 20 0 JGADHN C[C@@H]1C[C@@H](C)CN(C(C)(C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CC2CC(F)C2)C1 ZINC001304910766 1067953753 /nfs/dbraw/zinc/95/37/53/1067953753.db2.gz IPQDXFVBAYEKMK-ZPTVKNSZSA-N 0 3 469.671 3.121 20 0 JGADHN C[C@@H]1C[C@@H](C)CN(C(C)(C)Cn2c(Cc3ccccn3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001304914308 1067958338 /nfs/dbraw/zinc/95/83/38/1067958338.db2.gz YPYCHBWKBNGBJR-WOJBJXKFSA-N 0 3 488.702 3.034 20 0 JGADHN C[C@@H](c1ccco1)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1C[C@H](C)C[C@H](C)C1 ZINC001304927081 1067972280 /nfs/dbraw/zinc/97/22/80/1067972280.db2.gz INOQGNHSYFNFKG-YRPNKDGESA-N 0 3 463.648 3.339 20 0 JGADHN C[C@@H]1C[C@H](C)CN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)CC(C)(C)C2)C1 ZINC001304928108 1067975293 /nfs/dbraw/zinc/97/52/93/1067975293.db2.gz MHGXMBKJLLGISK-WOZUAGRISA-N 0 3 465.708 3.421 20 0 JGADHN C[C@@H]1C[C@H](C)CN(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2C[C@H](C)CC(C)(C)C2)C1 ZINC001304928106 1067975323 /nfs/dbraw/zinc/97/53/23/1067975323.db2.gz MHGXMBKJLLGISK-MHTWAQMVSA-N 0 3 465.708 3.421 20 0 JGADHN CC(C)[C@@H]1CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@H](C)C[C@H](C)C1 ZINC001304928480 1067976089 /nfs/dbraw/zinc/97/60/89/1067976089.db2.gz OARMKMBQERHZIH-MHTWAQMVSA-N 0 3 451.681 3.173 20 0 JGADHN CC(C)NC(=O)CN1CCN(c2nnc(CC3CCCC3)n2C[C@@H](c2cccs2)N(C)C)CC1 ZINC001303459803 1067978932 /nfs/dbraw/zinc/97/89/32/1067978932.db2.gz DHTIVPIFGKGFTN-NRFANRHFSA-N 0 3 487.718 3.022 20 0 JGADHN C[C@@H]1C[C@@H](CCn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCN(C(C)(C)C)CC2)CCO1 ZINC001304933485 1067982392 /nfs/dbraw/zinc/98/23/92/1067982392.db2.gz SQMKLSODUAZKEX-UXHICEINSA-N 0 3 489.686 3.474 20 0 JGADHN C[C@@H]1C[C@@H](CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CC(F)(F)F)CN1Cc1ccccc1 ZINC001304938992 1067988190 /nfs/dbraw/zinc/98/81/90/1067988190.db2.gz PMBIZSPXQJBPLQ-MISYRCLQSA-N 0 3 499.603 3.479 20 0 JGADHN CC(C)O[C@@]1(c2nnc(N(C)Cc3cnn(C)c3)n2C[C@H](c2ccc(F)cc2)N(C)C)CCOC1 ZINC001303482451 1068004610 /nfs/dbraw/zinc/00/46/10/1068004610.db2.gz ZQFWDJMBHNJOTD-RDGATRHJSA-N 0 3 485.608 3.131 20 0 JGADHN CC1CCC(N(C)c2nnc([C@H]3CCCCO3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001304973965 1068013845 /nfs/dbraw/zinc/01/38/45/1068013845.db2.gz DDKJRZYLASVINV-LIKPIUCQSA-N 0 3 460.667 3.477 20 0 JGADHN C[C@@H](CS(C)(=O)=O)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 ZINC001304983093 1068024831 /nfs/dbraw/zinc/02/48/31/1068024831.db2.gz CRHCUUYHJLBNNQ-YDIMBITNSA-N 0 3 479.666 3.388 20 0 JGADHN CC(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCC[C@@H](C)C1)N1CCCC1 ZINC001304991236 1068033284 /nfs/dbraw/zinc/03/32/84/1068033284.db2.gz RIYXCLVIVHCVAX-ANULTFPQSA-N 0 3 451.681 3.316 20 0 JGADHN CC(C)O[C@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@H]2CCCSC2)CCOC1 ZINC001303504616 1068037046 /nfs/dbraw/zinc/03/70/46/1068037046.db2.gz XAFSLGLMNSKXJA-AUSIDOKSSA-N 0 3 451.681 3.382 20 0 JGADHN C[C@@H]1CCCCN1CCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001305015010 1068056664 /nfs/dbraw/zinc/05/66/64/1068056664.db2.gz JDXVVPVHPQGRRK-KNQAVFIVSA-N 0 3 477.650 3.286 20 0 JGADHN C[C@H]1CCCCN1CCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001305015011 1068056766 /nfs/dbraw/zinc/05/67/66/1068056766.db2.gz JDXVVPVHPQGRRK-SIKLNZKXSA-N 0 3 477.650 3.286 20 0 JGADHN C[C@@H]1CCCCN1CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1F ZINC001305016574 1068059948 /nfs/dbraw/zinc/05/99/48/1068059948.db2.gz MSKOMQCKOXBPGE-UYAOXDASSA-N 0 3 463.623 3.220 20 0 JGADHN C[C@@H]1CCCN(C(C)(C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCS(=O)(=O)CC2)C1 ZINC001305022565 1068074231 /nfs/dbraw/zinc/07/42/31/1068074231.db2.gz MALXTXWLOJNVJR-MRXNPFEDSA-N 0 3 484.041 3.483 20 0 JGADHN CC(C)OCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001303552550 1068078184 /nfs/dbraw/zinc/07/81/84/1068078184.db2.gz UOWHKZZKSJXBBJ-QFIPXVFZSA-N 0 3 489.064 3.080 20 0 JGADHN CC(C)OCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001303564166 1068087023 /nfs/dbraw/zinc/08/70/23/1068087023.db2.gz QBXBGGQIGZBHHC-SFHVURJKSA-N 0 3 463.573 3.262 20 0 JGADHN CC(C)OCCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCN2CCOCC2)CC1 ZINC001303569903 1068093270 /nfs/dbraw/zinc/09/32/70/1068093270.db2.gz JPRSIUDLZLXCJO-UHFFFAOYSA-N 0 3 495.043 3.007 20 0 JGADHN CC(C)NC(=O)c1nnc(N(C)Cc2cnn(Cc3ccccc3)c2)n1CCN1CCC[C@H](C)C1 ZINC001305041126 1068095837 /nfs/dbraw/zinc/09/58/37/1068095837.db2.gz BJVIXZDCJMJLAX-NRFANRHFSA-N 0 3 478.645 3.029 20 0 JGADHN CC(C)OCCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CC=CCC2)CC1 ZINC001303572213 1068096954 /nfs/dbraw/zinc/09/69/54/1068096954.db2.gz YXNURPSQMFGTIR-UHFFFAOYSA-N 0 3 473.065 3.331 20 0 JGADHN CC(C)SCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001303575099 1068100116 /nfs/dbraw/zinc/10/01/16/1068100116.db2.gz RLAIVHGGGDQCLV-KRWDZBQOSA-N 0 3 497.507 3.346 20 0 JGADHN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(C(=O)N2CCCC2)n1CCN1CCC[C@@H](C)C1 ZINC001305044328 1068101355 /nfs/dbraw/zinc/10/13/55/1068101355.db2.gz ZSFDMZWGFRZFRF-LWFRFFLJSA-N 0 3 486.686 3.181 20 0 JGADHN C[C@@H](c1ccc(F)cc1)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCC1 ZINC001303590756 1068111129 /nfs/dbraw/zinc/11/11/29/1068111129.db2.gz DTZXEBDMNPGDHG-HKUYNNGSSA-N 0 3 463.623 3.391 20 0 JGADHN C[C@H]1CCCN1c1nnc(CCCc2ccccc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001305059452 1068123817 /nfs/dbraw/zinc/12/38/17/1068123817.db2.gz PBIWRPGFXVUNQZ-JTHBVZDNSA-N 0 3 452.647 3.385 20 0 JGADHN C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(F)(F)F)C1)N1CCC(C)CC1 ZINC001305063210 1068131331 /nfs/dbraw/zinc/13/13/31/1068131331.db2.gz FPFKWXYOAPSHAC-ROUUACIJSA-N 0 3 456.557 3.413 20 0 JGADHN C[C@H](c1cccc(O)c1)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1cccs1)N(C)C ZINC001303602710 1068133149 /nfs/dbraw/zinc/13/31/49/1068133149.db2.gz OZOXPKKHLFYMBC-LZQZEXGQSA-N 0 3 454.600 3.497 20 0 JGADHN C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC(C)(C)OC[C@@H]1C)N1CCC(C)CC1 ZINC001305068829 1068142779 /nfs/dbraw/zinc/14/27/79/1068142779.db2.gz YGUWWYHIJXSHQP-MOPGFXCFSA-N 0 3 455.607 3.050 20 0 JGADHN CC1CCN(CCCn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001305103038 1068169559 /nfs/dbraw/zinc/16/95/59/1068169559.db2.gz CODRGOTYELAIKH-JOCHJYFZSA-N 0 3 477.650 3.143 20 0 JGADHN CC1CCN(CCCn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC001305103771 1068170996 /nfs/dbraw/zinc/17/09/96/1068170996.db2.gz NGVAISGYRRZTSM-LJQANCHMSA-N 0 3 495.640 3.283 20 0 JGADHN CC1CCN(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCC(OC(C)(C)C)CC2)CC1 ZINC001305106956 1068175202 /nfs/dbraw/zinc/17/52/02/1068175202.db2.gz LIXINWTUYPDDJT-UHFFFAOYSA-N 0 3 469.634 3.441 20 0 JGADHN C[C@@H]1CCN(c2nnc(COc3ccccc3F)n2CCCN2CCC[C@H]2C(=O)N(C)C)[C@@H]1C ZINC001305107576 1068176773 /nfs/dbraw/zinc/17/67/73/1068176773.db2.gz JRAYLTMAITVVKZ-SBHAEUEKSA-N 0 3 472.609 3.174 20 0 JGADHN CC(C)N1CCN(c2nnc(COc3ccccc3F)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001305112383 1068186665 /nfs/dbraw/zinc/18/66/65/1068186665.db2.gz LGDUVXZCRUXVLD-NHCUHLMSSA-N 0 3 488.652 3.414 20 0 JGADHN C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(F)cc2)n1C[C@H](c1cccs1)N(C)C ZINC001305115912 1068195134 /nfs/dbraw/zinc/19/51/34/1068195134.db2.gz AAELFKSGHUGURS-VQIMIIECSA-N 0 3 472.590 3.028 20 0 JGADHN C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(F)cc2)n1C[C@H](c1cccs1)N(C)C ZINC001305115909 1068195146 /nfs/dbraw/zinc/19/51/46/1068195146.db2.gz AAELFKSGHUGURS-QFBILLFUSA-N 0 3 472.590 3.028 20 0 JGADHN C[C@H](CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)N(C)Cc1ccccc1 ZINC001303664447 1068197420 /nfs/dbraw/zinc/19/74/20/1068197420.db2.gz KTRRALBJVRHZCW-IFMALSPDSA-N 0 3 482.654 3.264 20 0 JGADHN C[C@H](CCn1c(-c2ccccc2Cl)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)N1CCCCC1 ZINC001303666062 1068200123 /nfs/dbraw/zinc/20/01/23/1068200123.db2.gz WMSAQZLHGIWEBK-QZTJIDSGSA-N 0 3 466.051 3.486 20 0 JGADHN C[C@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001305120727 1068202585 /nfs/dbraw/zinc/20/25/85/1068202585.db2.gz GBCAFRQQQPRVDJ-XKPYVIEYSA-N 0 3 486.636 3.306 20 0 JGADHN C[C@H](CCn1c([C@H]2CCCO2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)N(C)Cc1ccccc1 ZINC001303668008 1068202932 /nfs/dbraw/zinc/20/29/32/1068202932.db2.gz WQSWRWSCDNVFOR-YMPZKCBVSA-N 0 3 489.686 3.444 20 0 JGADHN C[C@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)C(C)(C)C1)N1CCCCC1 ZINC001303668822 1068203415 /nfs/dbraw/zinc/20/34/15/1068203415.db2.gz QELKXOKZNPMOJA-AQNXPRMDSA-N 0 3 451.681 3.317 20 0 JGADHN C[C@@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCC(F)(F)F)N(C)Cc1ccccc1 ZINC001303669907 1068204448 /nfs/dbraw/zinc/20/44/48/1068204448.db2.gz WKSWSRXJFXXIBF-HKUYNNGSSA-N 0 3 487.592 3.479 20 0 JGADHN C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001303674005 1068211479 /nfs/dbraw/zinc/21/14/79/1068211479.db2.gz IWAHTMVHPFRTKM-OALUTQOASA-N 0 3 464.655 3.206 20 0 JGADHN C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CCCC2)CC1)N(C)C(=O)OC(C)(C)C ZINC001303716859 1068264296 /nfs/dbraw/zinc/26/42/96/1068264296.db2.gz JHYJGOVTMALYSZ-VQTJNVASSA-N 0 3 476.666 3.492 20 0 JGADHN C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(C2CCCC2)CC1)N(C)C(=O)OC(C)(C)C ZINC001303716855 1068264398 /nfs/dbraw/zinc/26/43/98/1068264398.db2.gz JHYJGOVTMALYSZ-PMACEKPBSA-N 0 3 476.666 3.492 20 0 JGADHN C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCN(CC2CC2)CC1)N(C)C(=O)OC(C)(C)C ZINC001303731325 1068287014 /nfs/dbraw/zinc/28/70/14/1068287014.db2.gz KPKJNMLYLQQXJG-IBGZPJMESA-N 0 3 469.634 3.051 20 0 JGADHN CC(C)N1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)CC(C)(C)C2)C1 ZINC001305183707 1068301750 /nfs/dbraw/zinc/30/17/50/1068301750.db2.gz RMSIDPITESPJDT-UFYCRDLUSA-N 0 3 451.681 3.173 20 0 JGADHN C[C@H](CN1CCCC1)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1cc(F)ccc1F ZINC001303744353 1068304638 /nfs/dbraw/zinc/30/46/38/1068304638.db2.gz HINUXJAISMVTOK-KZNAEPCWSA-N 0 3 481.613 3.388 20 0 JGADHN C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CCCO1 ZINC001305187886 1068307055 /nfs/dbraw/zinc/30/70/55/1068307055.db2.gz GBPXLWPNCJDTCY-KNQAVFIVSA-N 0 3 489.064 3.080 20 0 JGADHN C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCN2CCN(C)C(C)(C)C2)C[C@@H](C(F)(F)F)O1 ZINC001305190142 1068310560 /nfs/dbraw/zinc/31/05/60/1068310560.db2.gz DWISRZFSVJUGFX-XLIONFOSSA-N 0 3 498.569 3.190 20 0 JGADHN C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCN2CCN(C)C(C)(C)C2)CCS1 ZINC001305189961 1068310733 /nfs/dbraw/zinc/31/07/33/1068310733.db2.gz XEPDTYJPMJIXRO-QGZVFWFLSA-N 0 3 464.630 3.115 20 0 JGADHN C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCN2CCN(C)C(C)(C)C2)CCS1 ZINC001305189960 1068310936 /nfs/dbraw/zinc/31/09/36/1068310936.db2.gz XEPDTYJPMJIXRO-KRWDZBQOSA-N 0 3 464.630 3.115 20 0 JGADHN C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)CN1CCCCC1 ZINC001303754547 1068317317 /nfs/dbraw/zinc/31/73/17/1068317317.db2.gz INCYMPOQOWYLBK-DXBBTUNJSA-N 0 3 495.734 3.332 20 0 JGADHN C[C@H](CNC(=O)OC(C)(C)C)Cn1c(C2CCCC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001303765952 1068337345 /nfs/dbraw/zinc/33/73/45/1068337345.db2.gz NZEFDTUFLTUPHV-WOJBJXKFSA-N 0 3 476.666 3.255 20 0 JGADHN C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(Br)c2)n1CCCN1CCCC1 ZINC001303772491 1068350704 /nfs/dbraw/zinc/35/07/04/1068350704.db2.gz ZUBLHDREUUFUMI-MRXNPFEDSA-N 0 3 484.464 3.063 20 0 JGADHN C[C@H]1CSCCN1c1nnc(Cc2c(F)cccc2F)n1CCN1CCN(C)C(C)(C)C1 ZINC001305236544 1068386151 /nfs/dbraw/zinc/38/61/51/1068386151.db2.gz HUIJEXRCGLUKLB-KRWDZBQOSA-N 0 3 464.630 3.115 20 0 JGADHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CCN2CC=CCC2)C1 ZINC001303801283 1068397142 /nfs/dbraw/zinc/39/71/42/1068397142.db2.gz VIOJSEOTOUWPAX-VQTJNVASSA-N 0 3 482.633 3.127 20 0 JGADHN C[C@@H]1[C@H](C)SCCN1c1nnc(CN2CCCC2=O)n1CCN(C)Cc1ccc(F)cc1 ZINC001305256970 1068419960 /nfs/dbraw/zinc/41/99/60/1068419960.db2.gz ILGQTSKJKACMFQ-MSOLQXFVSA-N 0 3 460.623 3.002 20 0 JGADHN CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccccc3Cl)n2C[C@H](C)N2CCN(CC)CC2)C1 ZINC001305261948 1068432077 /nfs/dbraw/zinc/43/20/77/1068432077.db2.gz FUTUHAZZMXBINK-PMACEKPBSA-N 0 3 488.080 3.120 20 0 JGADHN CC(C)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2ccccc2)N(C)C)CC1 ZINC001303828314 1068448944 /nfs/dbraw/zinc/44/89/44/1068448944.db2.gz MXTYFPXMMWEFQX-WIYYLYMNSA-N 0 3 462.664 3.064 20 0 JGADHN CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001305288882 1068491498 /nfs/dbraw/zinc/49/14/98/1068491498.db2.gz SOHSBIWNQUPDCH-SFHVURJKSA-N 0 3 474.675 3.395 20 0 JGADHN CC[C@@](C)(O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001305290640 1068493801 /nfs/dbraw/zinc/49/38/01/1068493801.db2.gz ZHCDRSZDLWNFRH-UQBPGWFLSA-N 0 3 475.609 3.267 20 0 JGADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1Cc1ccc(Cl)s1 ZINC001303865257 1068501934 /nfs/dbraw/zinc/50/19/34/1068501934.db2.gz POSYCTSNICRGFP-HNNXBMFYSA-N 0 3 489.111 3.210 20 0 JGADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1Cc1coc2ccccc12 ZINC001303865948 1068502729 /nfs/dbraw/zinc/50/27/29/1068502729.db2.gz WNDNQKLPTOZVDZ-SFHVURJKSA-N 0 3 488.658 3.241 20 0 JGADHN C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CC(F)(F)F ZINC001303904260 1068548648 /nfs/dbraw/zinc/54/86/48/1068548648.db2.gz WAEIUBVOMAZFPH-CVEARBPZSA-N 0 3 457.472 3.278 20 0 JGADHN CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001305336903 1068568970 /nfs/dbraw/zinc/56/89/70/1068568970.db2.gz BZRLPMZGYMPUKU-UNVFRBQDSA-N 0 3 489.636 3.483 20 0 JGADHN C[C@H](Oc1ccccc1F)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1Cc1cnnn1C ZINC001303931567 1068588408 /nfs/dbraw/zinc/58/84/08/1068588408.db2.gz FYDTWYXCINDGQU-SFHVURJKSA-N 0 3 470.597 3.292 20 0 JGADHN C[C@@H](Oc1ccccc1F)c1nnc(N2CCN(C3CCCC3)CC2)n1CCCC(=O)N(C)C ZINC001303932667 1068591720 /nfs/dbraw/zinc/59/17/20/1068591720.db2.gz YACZCXHNAJMPRD-LJQANCHMSA-N 0 3 472.609 3.490 20 0 JGADHN CC[C@H](C)c1nnc(N(C)CC(C)(C)CN2CCOCC2)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001305374168 1068628038 /nfs/dbraw/zinc/62/80/38/1068628038.db2.gz CODNJGVDKDXMNR-FDFHNCONSA-N 0 3 478.726 3.474 20 0 JGADHN CC[C@H](C)c1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CCC1(COC)CCC1 ZINC001305411335 1068650544 /nfs/dbraw/zinc/65/05/44/1068650544.db2.gz KESWARJQFGWCNV-FUDKSRODSA-N 0 3 474.694 3.377 20 0 JGADHN CC[C@H](C)c1nnc(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC(C)(C)SC ZINC001305413001 1068651924 /nfs/dbraw/zinc/65/19/24/1068651924.db2.gz SKVNRKZKBWDSEE-BJLQDIEVSA-N 0 3 450.697 3.312 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCC(C(=O)NC3CCCCC3)CC2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001305426566 1068663547 /nfs/dbraw/zinc/66/35/47/1068663547.db2.gz PLGAUESPTNYNJX-FGZHOGPDSA-N 0 3 487.737 3.483 20 0 JGADHN CC[C@H](C)c1nnc(N2CC[C@@H](C(=O)OC)C2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001305426774 1068664191 /nfs/dbraw/zinc/66/41/91/1068664191.db2.gz QDDDKUXDBRMLLZ-NNWRFLSQSA-N 0 3 455.603 3.082 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CCCN1CCN(CC)CC1 ZINC001305431136 1068669127 /nfs/dbraw/zinc/66/91/27/1068669127.db2.gz MTEDPBLJGQGQJD-PGRDOPGGSA-N 0 3 474.616 3.349 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CCCN1CCN(CC)CC1 ZINC001305430831 1068669156 /nfs/dbraw/zinc/66/91/56/1068669156.db2.gz MTEDPBLJGQGQJD-AVRDEDQJSA-N 0 3 474.616 3.349 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCC(C)(c3nc(C)no3)CC2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001305432739 1068669791 /nfs/dbraw/zinc/66/97/91/1068669791.db2.gz ZGYKFGHKPOPDHJ-RTBURBONSA-N 0 3 458.655 3.067 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCC(C)(c3nc(C)no3)CC2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001305432735 1068669895 /nfs/dbraw/zinc/66/98/95/1068669895.db2.gz ZGYKFGHKPOPDHJ-MOPGFXCFSA-N 0 3 458.655 3.067 20 0 JGADHN CC[C@H](C)c1nnc(N2CC[C@H](N3CCN(CC)CC3)C2)n1C[C@](C)(O)c1ccc(F)cc1 ZINC001305454860 1068693323 /nfs/dbraw/zinc/69/33/23/1068693323.db2.gz AMSSLSYOGPOMMZ-JTJYXVOQSA-N 0 3 458.626 3.055 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCC(N3CCNC3=O)CC2)n1C[C@H](c1cccc(OC)c1)N(C)C ZINC001305457695 1068699427 /nfs/dbraw/zinc/69/94/27/1068699427.db2.gz KZAUOYLQSUFDRV-XMSQKQJNSA-N 0 3 469.634 3.097 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCC(N3CCNC3=O)CC2)n1C[C@@H](c1cccc(OC)c1)N(C)C ZINC001305457693 1068699453 /nfs/dbraw/zinc/69/94/53/1068699453.db2.gz KZAUOYLQSUFDRV-GCJKJVERSA-N 0 3 469.634 3.097 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC[C@H](Oc3ncccc3F)C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001305481966 1068718789 /nfs/dbraw/zinc/71/87/89/1068718789.db2.gz BAABYYJVIJWGSB-HBMCJLEFSA-N 0 3 473.641 3.400 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001305488215 1068726033 /nfs/dbraw/zinc/72/60/33/1068726033.db2.gz RKOPOJIACGEQLN-GBESFXJTSA-N 0 3 460.589 3.365 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)c3ccccn3)CC2)n1C[C@H](c1ccccc1)N(C)C ZINC001305509226 1068748146 /nfs/dbraw/zinc/74/81/46/1068748146.db2.gz FNPBAIAUHCVDIP-NFBKMPQASA-N 0 3 461.614 3.452 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCc1ccc(Cl)c(OC)c1 ZINC001305513187 1068757190 /nfs/dbraw/zinc/75/71/90/1068757190.db2.gz IZYCOWJLFFOFBI-NQIIRXRSSA-N 0 3 489.064 3.439 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1CCn1c(C)nc2ccccc21 ZINC001305513824 1068758326 /nfs/dbraw/zinc/75/83/26/1068758326.db2.gz LPWREIWCJFWNCI-FQEVSTJZSA-N 0 3 480.661 3.140 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1Cc1c(F)cccc1SC ZINC001305514182 1068759611 /nfs/dbraw/zinc/75/96/11/1068759611.db2.gz NSQGFOSUGPWKDI-PXNSSMCTSA-N 0 3 474.650 3.444 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)N3CCCC3)CC2)n1C[C@H](c1cccc(OC)c1)N(C)C ZINC001305514250 1068759991 /nfs/dbraw/zinc/75/99/91/1068759991.db2.gz MLDUOHFDLIWPIR-NZQKXSOJSA-N 0 3 483.661 3.441 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1ccc(CSC)cc1 ZINC001305514784 1068761187 /nfs/dbraw/zinc/76/11/87/1068761187.db2.gz QCHOWSUNGNBXAL-HXUWFJFHSA-N 0 3 470.687 3.447 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1Cc1nc2c(s1)C[C@H](C)CC2 ZINC001305515530 1068763146 /nfs/dbraw/zinc/76/31/46/1068763146.db2.gz VNHAFZSXPSBRIX-RTBURBONSA-N 0 3 487.718 3.412 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C3CCOCC3)CC2)n1CCOCc1ccc(OC)cc1 ZINC001305530187 1068785493 /nfs/dbraw/zinc/78/54/93/1068785493.db2.gz KWWXZAJATLAJTA-FQEVSTJZSA-N 0 3 457.619 3.318 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(CC(=O)N3CCCCC3)CC2)n1CCN(C)Cc1ccccc1 ZINC001305538512 1068804583 /nfs/dbraw/zinc/80/45/83/1068804583.db2.gz XMZOUSYOVXEYPB-HSZRJFAPSA-N 0 3 481.689 3.058 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(CC(F)F)CC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001305539067 1068805930 /nfs/dbraw/zinc/80/59/30/1068805930.db2.gz OMLOKXDOTIDPQK-IRLDBZIGSA-N 0 3 476.616 3.470 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(CC(F)F)CC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001305539071 1068806268 /nfs/dbraw/zinc/80/62/68/1068806268.db2.gz OMLOKXDOTIDPQK-UNMCSNQZSA-N 0 3 476.616 3.470 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(Cc3ccsc3)CC2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001305541026 1068810943 /nfs/dbraw/zinc/81/09/43/1068810943.db2.gz GUNVLSCIXUZDKV-RTWAWAEBSA-N 0 3 459.708 3.201 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001305545716 1068823445 /nfs/dbraw/zinc/82/34/45/1068823445.db2.gz XWLBIWUPDXIAIE-IEBWSBKVSA-N 0 3 482.551 3.335 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001305545718 1068824421 /nfs/dbraw/zinc/82/44/21/1068824421.db2.gz XWLBIWUPDXIAIE-PKOBYXMFSA-N 0 3 482.551 3.335 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(CCOC)[C@@H](C)C2)n1CC1(CN2CCOCC2)CCCCC1 ZINC001305546020 1068824668 /nfs/dbraw/zinc/82/46/68/1068824668.db2.gz QEPWAFZSTMUSPV-GOTSBHOMSA-N 0 3 476.710 3.231 20 0 JGADHN CC[C@H](C)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001305581410 1068852726 /nfs/dbraw/zinc/85/27/26/1068852726.db2.gz XQLCVUWWCBISSP-RBUKOAKNSA-N 0 3 476.691 3.208 20 0 JGADHN CC[C@@H](C)N(C)CCn1c(-c2cc(C)nc3ccccc32)nnc1N(C)CCS(C)(=O)=O ZINC001305605491 1068871398 /nfs/dbraw/zinc/87/13/98/1068871398.db2.gz FGOOXSWBWFUWFG-GOSISDBHSA-N 0 3 458.632 3.013 20 0 JGADHN CC[C@H](C)N(C)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001305609928 1068883440 /nfs/dbraw/zinc/88/34/40/1068883440.db2.gz XFFKALILLZVVPB-SBUREZEXSA-N 0 3 496.077 3.352 20 0 JGADHN CC[C@@H](C)N(C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001305610606 1068884584 /nfs/dbraw/zinc/88/45/84/1068884584.db2.gz WPKFBYWTVSHRQP-MRXNPFEDSA-N 0 3 454.040 3.342 20 0 JGADHN CC[C@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCSC2(CCCCC2)C1 ZINC001305616786 1068896816 /nfs/dbraw/zinc/89/68/16/1068896816.db2.gz IGPVDZPUFIJWRG-RBUKOAKNSA-N 0 3 469.721 3.167 20 0 JGADHN CC[C@@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCSC2(CCCCC2)C1 ZINC001305616784 1068896851 /nfs/dbraw/zinc/89/68/51/1068896851.db2.gz IGPVDZPUFIJWRG-MOPGFXCFSA-N 0 3 469.721 3.167 20 0 JGADHN CC[C@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 ZINC001305617721 1068899380 /nfs/dbraw/zinc/89/93/80/1068899380.db2.gz MPTWMPYOOHXLLC-UEXGIBASSA-N 0 3 496.077 3.142 20 0 JGADHN CC[C@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccccc2Cl)C1 ZINC001305617730 1068899828 /nfs/dbraw/zinc/89/98/28/1068899828.db2.gz MPTWMPYOOHXLLC-WFXMLNOXSA-N 0 3 496.077 3.142 20 0 JGADHN CC[C@@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC2CCC(C)CC2)CC1 ZINC001305620893 1068906120 /nfs/dbraw/zinc/90/61/20/1068906120.db2.gz XPAVICRPKJRHOK-QSRFUDQGSA-N 0 3 495.734 3.475 20 0 JGADHN CC[C@@H](C)N(C)CCn1c(COc2ccccc2F)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001305621112 1068907511 /nfs/dbraw/zinc/90/75/11/1068907511.db2.gz LPNMHUHZWZNXSH-RTBURBONSA-N 0 3 481.638 3.130 20 0 JGADHN CC[C@@H](C)N(C)CCn1c(COc2ccccc2F)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001305621099 1068907643 /nfs/dbraw/zinc/90/76/43/1068907643.db2.gz LPNMHUHZWZNXSH-MOPGFXCFSA-N 0 3 481.638 3.130 20 0 JGADHN CC[C@H](C)N(C)CCn1c(COc2cccc(C)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001305623072 1068913076 /nfs/dbraw/zinc/91/30/76/1068913076.db2.gz WJLXTJJHQXSABX-RBBKRZOGSA-N 0 3 477.675 3.299 20 0 JGADHN CC[C@H](C)N(C)CCn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1C1(c2ccccc2)CCC1 ZINC001305624167 1068917255 /nfs/dbraw/zinc/91/72/55/1068917255.db2.gz ZXFJQDMUMJBCGN-PZJWPPBQSA-N 0 3 459.660 3.102 20 0 JGADHN CC[C@H](C)NC(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)N2CCc3ccccc3C2)CC1 ZINC001305643549 1068966505 /nfs/dbraw/zinc/96/65/05/1068966505.db2.gz LWCRRMPJSYLSEE-VXKWHMMOSA-N 0 3 495.716 3.059 20 0 JGADHN CC[C@H](C)NC(=O)CN1CCN(c2nnc(-c3ccccc3)n2C[C@@H](c2ccsc2)N(C)C)CC1 ZINC001305643947 1068967695 /nfs/dbraw/zinc/96/76/95/1068967695.db2.gz JBJFVPVZTSIRKV-REWPJTCUSA-N 0 3 495.697 3.346 20 0 JGADHN CC[C@@H](c1nnc(N2CC[C@H](N3CCN(CC)CC3)C2)n1C[C@H](F)COC)c1ccccc1 ZINC001305668203 1069011417 /nfs/dbraw/zinc/01/14/17/1069011417.db2.gz UOHSOLQEQBVNPW-RJGXRXQPSA-N 0 3 458.626 3.021 20 0 JGADHN CC[C@H](c1nnc(N2CCCN(C(C)=O)CC2)n1C[C@@H](C)CN1CCN(CC)CC1)c1ccccc1 ZINC001305670570 1069016503 /nfs/dbraw/zinc/01/65/03/1069016503.db2.gz LEKLTWUZJBWJGI-OZXSUGGESA-N 0 3 495.716 3.152 20 0 JGADHN CC[C@@H](c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1[C@@H]1C[C@H]1CF)c1ccccc1 ZINC001305673695 1069023988 /nfs/dbraw/zinc/02/39/88/1069023988.db2.gz SXIWNKZAEDOGFB-BHDDXSALSA-N 0 3 456.610 3.341 20 0 JGADHN CC[C@@H](c1nnc(N2CCN(CC3CCOCC3)CC2)n1CCC(=O)NC(C)C)c1ccccc1 ZINC001305675112 1069027048 /nfs/dbraw/zinc/02/70/48/1069027048.db2.gz AKCUXFCMNJZPSF-XMMPIXPASA-N 0 3 482.673 3.283 20 0 JGADHN CCC(CC)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCO[C@H](C)C1)N(C)C ZINC001305702290 1069084018 /nfs/dbraw/zinc/08/40/18/1069084018.db2.gz AWCFMRNFCQCMIZ-GCJKJVERSA-N 0 3 477.675 3.330 20 0 JGADHN CCC(CC)[C@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCC(C(=O)OC)CC1)N1CCOCC1 ZINC001305702949 1069085432 /nfs/dbraw/zinc/08/54/32/1069085432.db2.gz DYHCHOHQOZPRAQ-DEOSSOPVSA-N 0 3 499.656 3.480 20 0 JGADHN CCC(CC)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)N(C)C ZINC001305707166 1069097932 /nfs/dbraw/zinc/09/79/32/1069097932.db2.gz QCWDBPXQHLTUBR-ICSRJNTNSA-N 0 3 450.653 3.043 20 0 JGADHN CCC(CC)[C@H](Cn1c(-c2ccccc2OC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)N(C)C ZINC001305707773 1069098535 /nfs/dbraw/zinc/09/85/35/1069098535.db2.gz GEAKQDSJTIRIQD-OFVILXPXSA-N 0 3 489.686 3.335 20 0 JGADHN CCC(CC)[C@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](C(=O)OC)C1)N1CCOCC1 ZINC001305709317 1069103988 /nfs/dbraw/zinc/10/39/88/1069103988.db2.gz OPQWKFNERUNWQA-GMAHTHKFSA-N 0 3 485.629 3.090 20 0 JGADHN CCC(CC)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2sccc2C1)N(C)C ZINC001305711166 1069109468 /nfs/dbraw/zinc/10/94/68/1069109468.db2.gz AXDXOPRHYHWUIF-MOPGFXCFSA-N 0 3 465.689 3.171 20 0 JGADHN CCC(CC)[C@H](Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)N(C)C ZINC001305713353 1069115402 /nfs/dbraw/zinc/11/54/02/1069115402.db2.gz UUHYRKIVYZVSDF-YADHBBJMSA-N 0 3 479.666 3.388 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N(C)Cc2nc3ccsc3c(=O)[nH]2)n1C[C@@H]1CCCN1CC ZINC001305724725 1069139831 /nfs/dbraw/zinc/13/98/31/1069139831.db2.gz KWAQGLRKWPWNFK-INIZCTEOSA-N 0 3 486.646 3.028 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1Cc1ccc2c(n1)CCCC2 ZINC001305737257 1069160307 /nfs/dbraw/zinc/16/03/07/1069160307.db2.gz GZWKUEAXVYDYPM-RBUKOAKNSA-N 0 3 467.662 3.438 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1C[C@@H]1CCCCN1CC ZINC001305738315 1069163739 /nfs/dbraw/zinc/16/37/39/1069163739.db2.gz CMDIILFYGMZAEL-LEWJYISDSA-N 0 3 460.667 3.202 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CC3(CCC3)C[C@H]2CC)n1CCN1CCN(C)C(C)(C)C1 ZINC001305742484 1069176665 /nfs/dbraw/zinc/17/66/65/1069176665.db2.gz PQWDQIUWINAADV-OAQYLSRUSA-N 0 3 473.710 3.382 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC(C(=O)OC)CC2)n1C[C@H](c1ccccc1)N1CCCC1 ZINC001305746213 1069188577 /nfs/dbraw/zinc/18/85/77/1069188577.db2.gz YHBYMPWHOXPWSO-HSZRJFAPSA-N 0 3 496.656 3.423 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCc3cc(OC)c(OC)cc3CC2)n1CCN1CCC[C@@H]1C ZINC001305758473 1069217543 /nfs/dbraw/zinc/21/75/43/1069217543.db2.gz FYYIWJQNZRBRHH-IBGZPJMESA-N 0 3 498.672 3.303 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2cnn(C)c2)n1CCN1CCC[C@@H](C)C1 ZINC001305776309 1069259981 /nfs/dbraw/zinc/25/99/81/1069259981.db2.gz SVDAEOMZGRPHOX-WIYYLYMNSA-N 0 3 456.639 3.003 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1cccc(Cn2cccn2)c1 ZINC001305780079 1069270014 /nfs/dbraw/zinc/27/00/14/1069270014.db2.gz RAGADVWHFGHJLC-UHFFFAOYSA-N 0 3 492.672 3.410 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCCC3)CC2)n1Cc1sc(C)nc1C ZINC001305785374 1069285033 /nfs/dbraw/zinc/28/50/33/1069285033.db2.gz KDSICBWCPDZGKB-UHFFFAOYSA-N 0 3 459.664 3.383 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CCc1ccccc1F ZINC001305785910 1069288530 /nfs/dbraw/zinc/28/85/30/1069288530.db2.gz OLOXNXBOVLNFMV-IBGZPJMESA-N 0 3 486.636 3.268 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CC[C@H]1C[C@H](F)C1 ZINC001305786133 1069288924 /nfs/dbraw/zinc/28/89/24/1069288924.db2.gz QRWUQJDFFVISJX-FHWLQOOXSA-N 0 3 464.630 3.024 20 0 JGADHN O=C(OCc1ccc(Cl)cc1)c1cnc(Cl)nc1C(F)(F)N1CC[C@@H]2NCCO[C@@H]2C1 ZINC001164390049 718823506 /nfs/dbraw/zinc/82/35/06/718823506.db2.gz LHIRYFVJMBFGJL-JKSUJKDBSA-N 0 3 473.307 3.252 20 0 JGADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cc(C(=O)OC)cnc3Cl)CC2)CC1 ZINC001164617424 719030601 /nfs/dbraw/zinc/03/06/01/719030601.db2.gz LUIYDMJLRVELEJ-UHFFFAOYSA-N 0 3 459.921 3.310 20 0 JGADHN CNC(=O)CN1CCCC12CCN(c1nc(-c3cnccn3)nc3sc4c(c31)CCCC4)CC2 ZINC001164689385 719748185 /nfs/dbraw/zinc/74/81/85/719748185.db2.gz DNXJJKOLILWYOB-UHFFFAOYSA-N 0 3 477.638 3.208 20 0 JGADHN Cc1nc(CN2CCCC23CCN(c2nc(N4CCCC4)nc(N4CCCC4)n2)CC3)cs1 ZINC001164691267 719813474 /nfs/dbraw/zinc/81/34/74/719813474.db2.gz CIGHCGLQNHLYRB-UHFFFAOYSA-N 0 3 468.675 3.472 20 0 JGADHN CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)c1CN1CC[C@@H](CO)C1 ZINC001164729290 720416742 /nfs/dbraw/zinc/41/67/42/720416742.db2.gz GQPCXUIEVLGNNV-NQHRYMMQSA-N 0 3 492.668 3.129 20 0 JGADHN COc1ccc(Cn2cc3[nH]c(N4CC[C@@H]5[C@@H]4CCN5Cc4cccnc4)ccc-3c2=O)cc1 ZINC001164735340 720429500 /nfs/dbraw/zinc/42/95/00/720429500.db2.gz WHUSAKIUUWHECK-RPBOFIJWSA-N 0 3 455.562 3.494 20 0 JGADHN c1cncc(CN2CC[C@@H]3[C@H]2CCN3c2nc(CN3CCOCC3)nc3sc4c(c32)CCC4)c1 ZINC001164735956 720439209 /nfs/dbraw/zinc/43/92/09/720439209.db2.gz ZXXONDPADWPJEG-NHCUHLMSSA-N 0 3 476.650 3.260 20 0 JGADHN Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1nc(N3CCCC3)cc3ccccc31)C2 ZINC001164830004 720473382 /nfs/dbraw/zinc/47/33/82/720473382.db2.gz IRDCOLMSCIMNPB-JOCHJYFZSA-N 0 3 476.625 3.021 20 0 JGADHN c1ccc(-c2nc(-c3ccccc3)nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164742676 720687707 /nfs/dbraw/zinc/68/77/07/720687707.db2.gz WHTRCPRFWJNZNC-YADHBBJMSA-N 0 3 451.534 3.338 20 0 JGADHN CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164837894 720736739 /nfs/dbraw/zinc/73/67/39/720736739.db2.gz NTBRXBPUMIQZOM-UHFFFAOYSA-N 0 3 454.909 3.101 20 0 JGADHN O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164838070 720737048 /nfs/dbraw/zinc/73/70/48/720737048.db2.gz QVDMMNZZFJEETM-UHFFFAOYSA-N 0 3 480.947 3.491 20 0 JGADHN Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164741783 720762742 /nfs/dbraw/zinc/76/27/42/720762742.db2.gz MZSTZOUTKRGDLI-VXKWHMMOSA-N 0 3 455.566 3.228 20 0 JGADHN Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164741778 720763568 /nfs/dbraw/zinc/76/35/68/720763568.db2.gz MZSTZOUTKRGDLI-FGZHOGPDSA-N 0 3 455.566 3.228 20 0 JGADHN O=C(Nc1cccc(Cl)c1)c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164741049 720765409 /nfs/dbraw/zinc/76/54/09/720765409.db2.gz LYNHOGSCMXHTOB-PMACEKPBSA-N 0 3 450.930 3.119 20 0 JGADHN COc1cccc(-c2nc3ccccc3c(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)c1 ZINC001164740460 720783593 /nfs/dbraw/zinc/78/35/93/720783593.db2.gz LFZPXYJUZHMDCD-PZJWPPBQSA-N 0 3 454.534 3.437 20 0 JGADHN C[C@H]1CCCN1C(=O)c1nn(-c2ccc3c(n2)CCN(Cc2ccccc2)C3)c2c1CNCC2 ZINC001164850655 720805791 /nfs/dbraw/zinc/80/57/91/720805791.db2.gz VQUHNZSPXHVTRB-IBGZPJMESA-N 0 3 456.594 3.096 20 0 JGADHN CC(C)CN1[C@H]2CCN(c3cc(CN(C)C)ccn3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001164757845 720972615 /nfs/dbraw/zinc/97/26/15/720972615.db2.gz RAMOBUIJMDQPOR-SFTDATJTSA-N 0 3 458.628 3.220 20 0 JGADHN COc1cc2nc(Cl)nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2cc1OC ZINC001164867976 721073599 /nfs/dbraw/zinc/07/35/99/721073599.db2.gz LOAMFIDFCFDLFB-IRXDYDNUSA-N 0 3 455.946 3.175 20 0 JGADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)nc5c4CN(Cc4ccccc4)CC5)C[C@H]3C2)cn1 ZINC001164761092 721088749 /nfs/dbraw/zinc/08/87/49/721088749.db2.gz AXGYMSNWCGBRRZ-FGZHOGPDSA-N 0 3 478.044 3.380 20 0 JGADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(Cl)nc5c(Cl)nc(Cl)nc54)C[C@H]3C2)cn1 ZINC001164773772 721098289 /nfs/dbraw/zinc/09/82/89/721098289.db2.gz YEYQINMXYQXRBN-VXGBXAGGSA-N 0 3 453.765 3.072 20 0 JGADHN COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164866926 721121612 /nfs/dbraw/zinc/12/16/12/721121612.db2.gz VFOYCEVGTFAGGC-PMACEKPBSA-N 0 3 483.613 3.232 20 0 JGADHN COc1ccc(Cn2cc3[nH]c(N4CCN5C[C@H](OCc6cccnc6)C[C@H]5C4)ccc-3c2=O)cc1 ZINC001164877574 721135360 /nfs/dbraw/zinc/13/53/60/721135360.db2.gz OQZOBKFOVHFARH-LADGPHEKSA-N 0 3 485.588 3.121 20 0 JGADHN CCOC(=O)c1sc2nc(C)nc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1C ZINC001164880405 721140049 /nfs/dbraw/zinc/14/00/49/721140049.db2.gz WDUWVHGLXBHQFA-RTBURBONSA-N 0 3 467.595 3.360 20 0 JGADHN CCOC(=O)c1sc2nc(C)nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1C ZINC001164880400 721140442 /nfs/dbraw/zinc/14/04/42/721140442.db2.gz WDUWVHGLXBHQFA-OALUTQOASA-N 0 3 467.595 3.360 20 0 JGADHN CCOC(=O)c1sc2nc(C)nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1C ZINC001164880382 721140766 /nfs/dbraw/zinc/14/07/66/721140766.db2.gz WDUWVHGLXBHQFA-MOPGFXCFSA-N 0 3 467.595 3.360 20 0 JGADHN c1cncc(CO[C@@H]2C[C@H]3CN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)CCN3C2)c1 ZINC001164869770 721161598 /nfs/dbraw/zinc/16/15/98/721161598.db2.gz BIEZVDMSTUVEAV-FCHUYYIVSA-N 0 3 459.550 3.180 20 0 JGADHN COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164767534 721173969 /nfs/dbraw/zinc/17/39/69/721173969.db2.gz JZEWALRJPITIFY-OALUTQOASA-N 0 3 470.618 3.049 20 0 JGADHN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ncnc5c4ccn5Cc4ccccc4)C3)O2)CC1 ZINC001164892963 721417269 /nfs/dbraw/zinc/41/72/69/721417269.db2.gz ZLJFERQSAPTMME-YIXXDRMTSA-N 0 3 460.626 3.245 20 0 JGADHN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCn3cc(CN4CCN(C)CC4)nc3C2)n1 ZINC001164799091 721518922 /nfs/dbraw/zinc/51/89/22/721518922.db2.gz WPMXYQKXXKHUMK-UHFFFAOYSA-N 0 3 482.702 3.114 20 0 JGADHN CC[C@@H]1C(=O)N(C)c2cnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nc2N1C1CCCC1 ZINC001164904011 721533351 /nfs/dbraw/zinc/53/33/51/721533351.db2.gz FDPVJKXLCTUVKT-ACIOBRDBSA-N 0 3 494.615 3.462 20 0 JGADHN Fc1cccc(O[C@H]2C[C@H]3CN(c4nccc(-c5cnc(N6CCCCC6)nc5)n4)CCN3C2)c1 ZINC001164911428 721541268 /nfs/dbraw/zinc/54/12/68/721541268.db2.gz WRWDKRCVVRBTEK-GMAHTHKFSA-N 0 3 475.572 3.405 20 0 JGADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nccc(-c5cnc(N6CCCCC6)nc5)n4)CCN3C2)c1 ZINC001164911415 721541798 /nfs/dbraw/zinc/54/17/98/721541798.db2.gz WRWDKRCVVRBTEK-FYYLOGMGSA-N 0 3 475.572 3.405 20 0 JGADHN COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164906923 721546571 /nfs/dbraw/zinc/54/65/71/721546571.db2.gz LVPKSZVRLJDABC-HKUYNNGSSA-N 0 3 470.545 3.334 20 0 JGADHN CCC(CC)NS(=O)(=O)c1ccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164907174 721556200 /nfs/dbraw/zinc/55/62/00/721556200.db2.gz MJKNWPLWAMZQPD-TZIWHRDSSA-N 0 3 462.591 3.030 20 0 JGADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4cc(N5CCN(c6ccccc6)CC5)ncn4)CCN3C2)c1 ZINC001164911902 721560033 /nfs/dbraw/zinc/56/00/33/721560033.db2.gz ZZGVWGOIICYNHC-UKILVPOCSA-N 0 3 474.584 3.284 20 0 JGADHN Fc1cccc(O[C@H]2C[C@H]3CN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)CCN3C2)c1 ZINC001164909159 721561952 /nfs/dbraw/zinc/56/19/52/721561952.db2.gz SCWSFAZWFJDXMM-ZCYQVOJMSA-N 0 3 475.568 3.461 20 0 JGADHN FC(F)[C@](F)(COc1cncc(Cl)n1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164959971 722060201 /nfs/dbraw/zinc/06/02/01/722060201.db2.gz BBODJRZVGKPFSR-QFIPXVFZSA-N 0 3 485.938 3.449 20 0 JGADHN c1ccc(N2CCN(c3cc(N4CCC5(CC4)COCCN(Cc4ccncc4)C5)ncn3)CC2)cc1 ZINC001164961623 722060858 /nfs/dbraw/zinc/06/08/58/722060858.db2.gz MZYGNYQDEVACOL-UHFFFAOYSA-N 0 3 499.663 3.317 20 0 JGADHN c1ccc(CN2CCc3c(ncnc3N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)C2)cc1 ZINC001164970868 722112345 /nfs/dbraw/zinc/11/23/45/722112345.db2.gz AFMHEMQHVIOLKR-IGKIAQTJSA-N 0 3 470.621 3.157 20 0 JGADHN CC[C@@H]1C(=O)Nc2cnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc2N1C1CCCC1 ZINC001164973327 722117361 /nfs/dbraw/zinc/11/73/61/722117361.db2.gz HAIWXTVXSGHCOL-HUVFLSCGSA-N 0 3 491.640 3.079 20 0 JGADHN COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978397 722119030 /nfs/dbraw/zinc/11/90/30/722119030.db2.gz ONIZIOFMVHXTIR-WIYYLYMNSA-N 0 3 467.957 3.192 20 0 JGADHN CC(C)(C)C(=O)OCn1ccc2c1ncnc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979774 722119259 /nfs/dbraw/zinc/11/92/59/722119259.db2.gz PVOMIGYYVKBVKO-RBBKRZOGSA-N 0 3 478.597 3.100 20 0 JGADHN COc1cc2nc(Cl)c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc2cc1OC ZINC001164980491 722120991 /nfs/dbraw/zinc/12/09/91/722120991.db2.gz RIVKTACOWVBEAT-HTAPYJJXSA-N 0 3 469.973 3.423 20 0 JGADHN CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164974395 722132477 /nfs/dbraw/zinc/13/24/77/722132477.db2.gz DQJRLEVLJUHMLU-DHLKQENFSA-N 0 3 474.609 3.138 20 0 JGADHN CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164974398 722132563 /nfs/dbraw/zinc/13/25/63/722132563.db2.gz DQJRLEVLJUHMLU-WIOPSUGQSA-N 0 3 474.609 3.138 20 0 JGADHN COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164974376 722133330 /nfs/dbraw/zinc/13/33/30/722133330.db2.gz DKQLYIHFHJBONO-OFNKIYASSA-N 0 3 497.640 3.480 20 0 JGADHN CC(C)(C)OC(=O)Nc1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c2[nH]cnc21 ZINC001164978046 722137646 /nfs/dbraw/zinc/13/76/46/722137646.db2.gz JIKWZGMPMILFLL-UYAOXDASSA-N 0 3 479.585 3.427 20 0 JGADHN CC(C)(C)OC(=O)Nc1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c2[nH]cnc21 ZINC001164978040 722137914 /nfs/dbraw/zinc/13/79/14/722137914.db2.gz JIKWZGMPMILFLL-AZUAARDMSA-N 0 3 479.585 3.427 20 0 JGADHN COC(=O)c1cnc(Cl)cc1C(F)(F)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973412 722139564 /nfs/dbraw/zinc/13/95/64/722139564.db2.gz CBXUEPIPYIACQE-VQIMIIECSA-N 0 3 466.916 3.189 20 0 JGADHN c1cncc(CN2CCO[C@H]3CN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)CC[C@H]3C2)c1 ZINC001164981555 722150840 /nfs/dbraw/zinc/15/08/40/722150840.db2.gz PJKWPACELFIBJJ-IGKIAQTJSA-N 0 3 486.620 3.103 20 0 JGADHN FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971293 722158994 /nfs/dbraw/zinc/15/89/94/722158994.db2.gz BOXVVNDBWRHWCU-JKSUJKDBSA-N 0 3 480.972 3.493 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3ccccc3)C2)n1C[C@@H]1CCCN1CC ZINC001305794457 1069312180 /nfs/dbraw/zinc/31/21/80/1069312180.db2.gz KMEXHQLQBKHISQ-FCHUYYIVSA-N 0 3 454.619 3.259 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CC[C@@H]3[C@@H](COC)[C@@H]3C2)n1CCN1CCCC(C)(C)C1 ZINC001305797320 1069318503 /nfs/dbraw/zinc/31/85/03/1069318503.db2.gz AUDIYPFZTLLWIR-PWRODBHTSA-N 0 3 460.667 3.037 20 0 JGADHN CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)c2ccccc2)CC1)N1CCCC1 ZINC001305802614 1069326274 /nfs/dbraw/zinc/32/62/74/1069326274.db2.gz GLENSCPFGFPNKT-QFIPXVFZSA-N 0 3 466.630 3.390 20 0 JGADHN CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1)c1ccccc1 ZINC001305805813 1069333179 /nfs/dbraw/zinc/33/31/79/1069333179.db2.gz YVGQBUDIZRCRNV-UPVQGACJSA-N 0 3 481.689 3.215 20 0 JGADHN CC[C@@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)Oc1ccccc1F ZINC001305809053 1069338849 /nfs/dbraw/zinc/33/88/49/1069338849.db2.gz XQSYTNCGTAKTHQ-PZJWPPBQSA-N 0 3 472.609 3.141 20 0 JGADHN CC[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](S(C)(=O)=O)C1)N1CCCC1 ZINC001305814312 1069345796 /nfs/dbraw/zinc/34/57/96/1069345796.db2.gz DWVRYLGGXBGARP-QZTJIDSGSA-N 0 3 482.050 3.105 20 0 JGADHN CC[C@H](Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C)NC(=O)OC(C)(C)C ZINC001305842297 1069391491 /nfs/dbraw/zinc/39/14/91/1069391491.db2.gz OSLCCVXSLYCXGU-QKNQBKEWSA-N 0 3 471.650 3.486 20 0 JGADHN CC[C@H](Cn1c(N2CCC(CN3CCOCC3)CC2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001305848377 1069399102 /nfs/dbraw/zinc/39/91/02/1069399102.db2.gz AEOZJZGYODVOMS-HXUWFJFHSA-N 0 3 478.682 3.428 20 0 JGADHN CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCN(C(C)(C)C)CC1)Oc1ccccc1F ZINC001305847274 1069397245 /nfs/dbraw/zinc/39/72/45/1069397245.db2.gz UHQLBLJDJPURIQ-LJQANCHMSA-N 0 3 472.609 3.318 20 0 JGADHN CC[C@@H](Cn1c(N2CCN(C3CCOCC3)CC2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001305850802 1069403511 /nfs/dbraw/zinc/40/35/11/1069403511.db2.gz STGAWOFGMHDKGV-SFHVURJKSA-N 0 3 464.655 3.180 20 0 JGADHN CCC1(CC)CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN2CCc3ccccc3C2)C1 ZINC001305894282 1069452337 /nfs/dbraw/zinc/45/23/37/1069452337.db2.gz WWERBEDYRJXJDI-FQEVSTJZSA-N 0 3 488.702 3.353 20 0 JGADHN CCc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C(C)C)C2)N(C)C)cc1 ZINC001305915201 1069469815 /nfs/dbraw/zinc/46/98/15/1069469815.db2.gz HTJNPZKBIJXVHE-YADHBBJMSA-N 0 3 456.635 3.143 20 0 JGADHN CCc1ccc([C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@](C)(OC)C2)N(C)C)cc1 ZINC001305916980 1069471918 /nfs/dbraw/zinc/47/19/18/1069471918.db2.gz FTCANQIPXGBSAP-CZSZKKDXSA-N 0 3 454.619 3.100 20 0 JGADHN CCc1ccc([C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(OC)C2)N(C)C)cc1 ZINC001305916983 1069472052 /nfs/dbraw/zinc/47/20/52/1069472052.db2.gz FTCANQIPXGBSAP-STWLZBDKSA-N 0 3 454.619 3.100 20 0 JGADHN CCc1ccc([C@H](Cn2c([C@H]3CCCO3)nnc2N2CCC(CC(=O)NC)CC2)N(C)C)cc1 ZINC001305918140 1069473169 /nfs/dbraw/zinc/47/31/69/1069473169.db2.gz FFKQMIBVRGVAPG-XZOQPEGZSA-N 0 3 468.646 3.347 20 0 JGADHN CCc1ccc([C@H](Cn2c(N3CCC(CNS(C)(=O)=O)CC3)nnc2C(C)(C)C)N(C)C)cc1 ZINC001305919109 1069474242 /nfs/dbraw/zinc/47/42/42/1069474242.db2.gz HQKINJZDKJAQQV-QFIPXVFZSA-N 0 3 490.718 3.207 20 0 JGADHN CCc1ccc([C@H](Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](COC)C2)N(C)C)cc1 ZINC001305920488 1069475366 /nfs/dbraw/zinc/47/53/66/1069475366.db2.gz SFRRSTXHDZBVRR-PKTZIBPZSA-N 0 3 484.670 3.351 20 0 JGADHN CCc1ccc([C@@H](Cn2c(Cc3ccsc3)nnc2N2CCN(C)C(=O)[C@@H]2C)N(C)C)cc1 ZINC001305921362 1069476896 /nfs/dbraw/zinc/47/68/96/1069476896.db2.gz XPMGADBPJYPYNU-PGRDOPGGSA-N 0 3 466.655 3.463 20 0 JGADHN CCc1ccc([C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2nccs2)N(C)C)cc1 ZINC001305921447 1069477465 /nfs/dbraw/zinc/47/74/65/1069477465.db2.gz ZGJFBOSXGWNVKW-OALUTQOASA-N 0 3 453.616 3.187 20 0 JGADHN CN(CC(=O)NC(C)(C)C)c1nnc([C@H]2CCCO2)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001298219083 1064132614 /nfs/dbraw/zinc/13/26/14/1064132614.db2.gz WJQKCLNIUGCLQY-OAQYLSRUSA-N 0 3 468.646 3.317 20 0 JGADHN CC(C)(C)N1C(=O)C[C@H](C(=O)NC[C@@H]2CCCCN2CCO)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001298288263 1064174424 /nfs/dbraw/zinc/17/44/24/1064174424.db2.gz IXPDFRUTIGQWMT-FIKGOQFSSA-N 0 3 453.986 3.130 20 0 JGADHN CN(C)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1)C1CCCCC1 ZINC001298346396 1064212238 /nfs/dbraw/zinc/21/22/38/1064212238.db2.gz XEOCLFKMAUWMRK-VXKWHMMOSA-N 0 3 459.660 3.327 20 0 JGADHN C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)cc1 ZINC001298378620 1064225835 /nfs/dbraw/zinc/22/58/35/1064225835.db2.gz LWKULMREXVMRNH-XMSQKQJNSA-N 0 3 457.596 3.069 20 0 JGADHN CN(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CCCC1)C1CCCCC1 ZINC001298527277 1064293180 /nfs/dbraw/zinc/29/31/80/1064293180.db2.gz KJVJHEKVFXCWOS-NHCUHLMSSA-N 0 3 451.681 3.317 20 0 JGADHN CN(C[C@@H]1CCCOC1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN(C)C1CCCC1 ZINC001298553322 1064318871 /nfs/dbraw/zinc/31/88/71/1064318871.db2.gz AKLKGROCFNRTST-IBGZPJMESA-N 0 3 475.659 3.086 20 0 JGADHN CN(C[C@H]1CCCOC1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCN(C)C(C)(C)C1 ZINC001298559342 1064324272 /nfs/dbraw/zinc/32/42/72/1064324272.db2.gz CYMYMHWTPSVXEW-YPAWHYETSA-N 0 3 476.710 3.086 20 0 JGADHN CN(C)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N(C)CC1COC(C)(C)OC1)c1ccccc1 ZINC001298587591 1064360518 /nfs/dbraw/zinc/36/05/18/1064360518.db2.gz JYTKUKWDPYNWIX-VXKWHMMOSA-N 0 3 457.619 3.310 20 0 JGADHN CN(C)[C@@H](Cn1c(Cc2ccncc2)nnc1N(C)CC1COC(C)(C)OC1)c1cccs1 ZINC001298588631 1064362552 /nfs/dbraw/zinc/36/25/52/1064362552.db2.gz LJKAAVSTHPTEQJ-FQEVSTJZSA-N 0 3 470.643 3.464 20 0 JGADHN CN(CCC(F)(F)F)c1nnc(CN2CCCC2=O)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001298600618 1064375394 /nfs/dbraw/zinc/37/53/94/1064375394.db2.gz ICMYPSVVQGKQMX-HXUWFJFHSA-N 0 3 494.562 3.080 20 0 JGADHN CN(CCC(F)F)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccccc1CN1CCC(O)CC1 ZINC001298602386 1064378239 /nfs/dbraw/zinc/37/82/39/1064378239.db2.gz YXUSGBFRFPVKOZ-UHFFFAOYSA-N 0 3 499.566 3.022 20 0 JGADHN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)N2CCN(C3CC3)C[C@H](C)C2)c1 ZINC001298642086 1064415315 /nfs/dbraw/zinc/41/53/15/1064415315.db2.gz WAFUWXYCMQSBGN-SFHVURJKSA-N 0 3 458.580 3.409 20 0 JGADHN CN(C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCCS(C)(=O)=O)C1CCCCC1 ZINC001298689368 1064485177 /nfs/dbraw/zinc/48/51/77/1064485177.db2.gz FNALUJHYLAXZAT-IBGZPJMESA-N 0 3 483.082 3.375 20 0 JGADHN CN(C)C1(Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)CCCS(C)(=O)=O)CCCC1 ZINC001298691747 1064490902 /nfs/dbraw/zinc/49/09/02/1064490902.db2.gz QLBWTOCZSRSBMR-UHFFFAOYSA-N 0 3 468.067 3.268 20 0 JGADHN CN(CCn1c(CC(C)(C)C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1)C1CCCCC1 ZINC001298712295 1064519580 /nfs/dbraw/zinc/51/95/80/1064519580.db2.gz ARRWQLBXXWYVNG-HSZRJFAPSA-N 0 3 451.681 3.146 20 0 JGADHN CC(C)Oc1ccc([C@H](CNC(=O)[C@]23COC[C@H]2CN(C(=O)OC(C)(C)C)C3)N(C)C)cc1 ZINC001298721309 1064532686 /nfs/dbraw/zinc/53/26/86/1064532686.db2.gz FAYWVIWQRIYEKU-FZOAFFARSA-N 0 3 461.603 3.076 20 0 JGADHN CC(C)Oc1ccc([C@H](CNC(=O)c2c(CNC(=O)OC(C)(C)C)cnn2C)N(C)C)cc1 ZINC001298724304 1064534034 /nfs/dbraw/zinc/53/40/34/1064534034.db2.gz ZQHBJJHGEBEBAK-FQEVSTJZSA-N 0 3 459.591 3.265 20 0 JGADHN CN(CCN1CCN(c2nnc(C(C)(C)C)n2CCOc2ncccc2F)CC1)Cc1ccccc1 ZINC001298727886 1064538459 /nfs/dbraw/zinc/53/84/59/1064538459.db2.gz ITXQYBJWFOUQSZ-UHFFFAOYSA-N 0 3 495.647 3.443 20 0 JGADHN CN(CCOc1ccc(Cl)cc1)c1nnc([C@H]2CCCO2)n1CCN1CCN(C)C(C)(C)C1 ZINC001298760470 1064568821 /nfs/dbraw/zinc/56/88/21/1064568821.db2.gz MHRJJAUGNALVJR-OAQYLSRUSA-N 0 3 477.053 3.324 20 0 JGADHN Cn1cccc1-c1nnc(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)n1CCC[NH+]1CCCCC1 ZINC001298858101 1064661110 /nfs/dbraw/zinc/66/11/10/1064661110.db2.gz LJBHQACTEHTLKU-UHFFFAOYSA-N 0 3 481.567 3.055 20 0 JGADHN CN1C[C@](C)(Cn2c(-c3ccc(Br)cc3)nnc2N2CCN(C(C)(C)C)CC2)C1=O ZINC001298870465 1064675065 /nfs/dbraw/zinc/67/50/65/1064675065.db2.gz AOLRMKLKWDIWGV-JOCHJYFZSA-N 0 3 475.435 3.106 20 0 JGADHN CN1CCCC(C)(C)[C@H]1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCS(=O)CC1 ZINC001298885264 1064691301 /nfs/dbraw/zinc/69/13/01/1064691301.db2.gz IIRJMPJDUZPIRR-GOSISDBHSA-N 0 3 454.015 3.427 20 0 JGADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CCc2ccc(F)cc2Cl)CC1 ZINC001298886852 1064695815 /nfs/dbraw/zinc/69/58/15/1064695815.db2.gz HZVLZTIXPYLEGL-FQEVSTJZSA-N 0 3 477.028 3.354 20 0 JGADHN C[C@@H]1[C@@H](NC(=O)C2=NO[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)CCN1Cc1ccccc1 ZINC001298888246 1064697916 /nfs/dbraw/zinc/69/79/16/1064697916.db2.gz NZHRJHODLXPSEX-AOUJKTHWSA-N 0 3 456.587 3.312 20 0 JGADHN C[C@@H]1[C@H](NC(=O)C2=NO[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)CCN1Cc1ccccc1 ZINC001298888247 1064697948 /nfs/dbraw/zinc/69/79/48/1064697948.db2.gz NZHRJHODLXPSEX-BSWQBHCVSA-N 0 3 456.587 3.312 20 0 JGADHN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)cc1 ZINC001298888902 1064698817 /nfs/dbraw/zinc/69/88/17/1064698817.db2.gz PQCMMUMBSUMMHU-HUVFLSCGSA-N 0 3 457.640 3.467 20 0 JGADHN C[C@@H]1[C@H](NC(=O)COc2ccc(I)cc2)CCN1Cc1ccccc1 ZINC001298890770 1064700493 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XLZRMDBLESHNCG-KNQAVFIVSA-N 0 3 468.646 3.175 20 0 JGADHN CNC(=O)[C@@]1(C)CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC001299029013 1064814547 /nfs/dbraw/zinc/81/45/47/1064814547.db2.gz QTNDNNICXMSVEY-OFVILXPXSA-N 0 3 481.670 3.208 20 0 JGADHN CNC(=O)c1cccc(Cn2c([C@@H](C)OCCOC)nnc2N2CCN(C3CCC(C)CC3)CC2)c1 ZINC001299053600 1064845743 /nfs/dbraw/zinc/84/57/43/1064845743.db2.gz OLPUVWJMOMSIFL-ZPGVXSSASA-N 0 3 498.672 3.111 20 0 JGADHN CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCN2CC=CCC2)C1 ZINC001299070725 1064868348 /nfs/dbraw/zinc/86/83/48/1064868348.db2.gz ADJPYENAYVRCPG-LJQANCHMSA-N 0 3 487.446 3.240 20 0 JGADHN CNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2ccccc2OC)N2CCCC2)CC1 ZINC001299098890 1064903538 /nfs/dbraw/zinc/90/35/38/1064903538.db2.gz MNHQZLYPSWOZDR-OAQYLSRUSA-N 0 3 468.646 3.384 20 0 JGADHN CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](c2cccs2)N(C)C)C1 ZINC001299100981 1064907452 /nfs/dbraw/zinc/90/74/52/1064907452.db2.gz PXACTCKAPHKMKV-CTNGQTDRSA-N 0 3 482.654 3.492 20 0 JGADHN COc1cc(CN(C)C)ccc1NC(=O)c1cn(CCOc2ccc(C=O)cc2Cl)nn1 ZINC001299106523 1064914589 /nfs/dbraw/zinc/91/45/89/1064914589.db2.gz UROHPUBNWKZYCM-UHFFFAOYSA-N 0 3 457.918 3.146 20 0 JGADHN CNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 ZINC001299119248 1064927827 /nfs/dbraw/zinc/92/78/27/1064927827.db2.gz ABDXBWYTWIVSCP-NRFANRHFSA-N 0 3 470.618 3.335 20 0 JGADHN CNC(=O)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001299120308 1064929665 /nfs/dbraw/zinc/92/96/65/1064929665.db2.gz URDBROJMZQBAFW-JOCHJYFZSA-N 0 3 496.681 3.399 20 0 JGADHN COC1(C)CN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001299775505 1064976734 /nfs/dbraw/zinc/97/67/34/1064976734.db2.gz QQEFTCDTNNANSY-GOSISDBHSA-N 0 3 477.053 3.323 20 0 JGADHN COC1(Cn2c(C(C)C)nnc2N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)CCCCC1 ZINC001299794025 1064990021 /nfs/dbraw/zinc/99/00/21/1064990021.db2.gz AKLFJBFZIXPKJG-IFMALSPDSA-N 0 3 460.667 3.130 20 0 JGADHN COc1cc(C)c(CN(C)c2nnc([C@H]3CCCO3)n2CCN2CCN(C)C(C)(C)C2)cc1OC ZINC001299827504 1065020485 /nfs/dbraw/zinc/02/04/85/1065020485.db2.gz MXZCDFHELFRUHL-OAQYLSRUSA-N 0 3 486.661 3.118 20 0 JGADHN COc1ccccc1Nc1nc2sc(C(=O)N3CN(CCN(C)C)C(=O)[C@H]3C)cc2s1 ZINC001299829999 1065022365 /nfs/dbraw/zinc/02/23/65/1065022365.db2.gz MCDIHMXQEGEBKA-CYBMUJFWSA-N 0 3 459.597 3.302 20 0 JGADHN COc1cc(-c2nnc(N3CCN(CC(C)C)CC3)n2CC2=CCCOC2)cc(OC)c1OC ZINC001299856915 1065065417 /nfs/dbraw/zinc/06/54/17/1065065417.db2.gz ICYKHGQGYTZDLX-UHFFFAOYSA-N 0 3 471.602 3.096 20 0 JGADHN COc1cc(-c2nnc(N3CCN(CC(C)C)CC3)n2C[C@@H]2CCOC[C@H]2C)cc(OC)c1OC ZINC001299857822 1065068386 /nfs/dbraw/zinc/06/83/86/1065068386.db2.gz ZMUICPPBPRPENN-UXHICEINSA-N 0 3 487.645 3.422 20 0 JGADHN COc1cc(-c2nnc(N3CCS(=O)CC3)n2CCN2CCCC(C)(C)C2)ccc1OC(C)C ZINC001299860317 1065075293 /nfs/dbraw/zinc/07/52/93/1065075293.db2.gz QTVQNOHAZQRKKR-UHFFFAOYSA-N 0 3 489.686 3.432 20 0 JGADHN COc1cc(CN(C)c2nnc(C3CC3)n2CCN2CCN(C)C(C)(C)C2)ccc1OC(F)F 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/nfs/dbraw/zinc/21/70/19/1065217019.db2.gz NLUICCPECOQOPM-UWJYYQICSA-N 0 3 498.653 3.419 20 0 JGADHN COc1cc(OC)cc(-c2nnc(N3CCN(C4CCCC4)CC3)n2CCC(=O)NC(C)(C)C)c1 ZINC001299951742 1065229883 /nfs/dbraw/zinc/22/98/83/1065229883.db2.gz USHMGKUJHGLSSS-UHFFFAOYSA-N 0 3 484.645 3.332 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N(C)C[C@H]3CCCOC3)n2C[C@]2(N(C)C)CCSC2)cc1C ZINC001492240402 1065338265 /nfs/dbraw/zinc/33/82/65/1065338265.db2.gz KSHXCGHHIYXBHJ-CJFMBICVSA-N 0 3 486.686 3.447 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3C[C@H](C)[C@H](C)C3)n2C[C@H]2CCCN2CCCO)cc1C ZINC001492243987 1065342218 /nfs/dbraw/zinc/34/22/18/1065342218.db2.gz JFBJOTRSMJHVQO-RZUBCFFCSA-N 0 3 454.619 3.086 20 0 JGADHN Cc1ccc(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@@H](C2CCCCC2)N(C)C)cc1 ZINC001492363661 1065425691 /nfs/dbraw/zinc/42/56/91/1065425691.db2.gz LMMJJYMWUCOQSE-PKTZIBPZSA-N 0 3 489.686 3.299 20 0 JGADHN Cc1ccc(OCCN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2cccs2)N(C)C)cc1 ZINC001492420543 1065481151 /nfs/dbraw/zinc/48/11/51/1065481151.db2.gz GSHNNOQSLAKZIE-VQTJNVASSA-N 0 3 468.627 3.417 20 0 JGADHN Cc1ccc(SCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CC(C)(C)CN(C)C)cc1 ZINC001492460361 1065508716 /nfs/dbraw/zinc/50/87/16/1065508716.db2.gz WBYSAZAELCQYPJ-LJQANCHMSA-N 0 3 465.689 3.090 20 0 JGADHN Cc1ccc(SCc2nnc(N3CCN(CC(C)C)CC3)n2C[C@@]2(C)CN(C)C2=O)cc1 ZINC001492467671 1065514736 /nfs/dbraw/zinc/51/47/36/1065514736.db2.gz JMVGXQQSHBVBNP-XMMPIXPASA-N 0 3 456.660 3.135 20 0 JGADHN CO[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCC[C@@H](C)C2)CC[C@@H]1C ZINC001300800655 1065532918 /nfs/dbraw/zinc/53/29/18/1065532918.db2.gz UHJGZJBILJSKJS-XQBPLPMBSA-N 0 3 489.064 3.455 20 0 JGADHN COCC(C)(C)Cn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCN(CC(C)C)CC1 ZINC001300941126 1065742960 /nfs/dbraw/zinc/74/29/60/1065742960.db2.gz ZTSRNOWTCNWXLN-UHFFFAOYSA-N 0 3 453.591 3.045 20 0 JGADHN O=C(CC1(N2CCOCC2)CCCC1)N1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001300982657 1065794396 /nfs/dbraw/zinc/79/43/96/1065794396.db2.gz MVHJBPKUQFOQRA-IBGZPJMESA-N 0 3 459.553 3.061 20 0 JGADHN COC[C@@H](Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C2CCOCC2)CC1)OC ZINC001301035823 1065877628 /nfs/dbraw/zinc/87/76/28/1065877628.db2.gz YSKHUMKHIAFIIM-HXUWFJFHSA-N 0 3 496.077 3.186 20 0 JGADHN COC[C@@H](F)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(CC(C)C)CC1 ZINC001301044394 1065889991 /nfs/dbraw/zinc/88/99/91/1065889991.db2.gz NHBVDSZOOFGBIF-SFHVURJKSA-N 0 3 454.388 3.470 20 0 JGADHN COCC1(C)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCCN2CCCO)CC1 ZINC001301078973 1065929136 /nfs/dbraw/zinc/92/91/36/1065929136.db2.gz ZTXMXUMQYUBFBF-QHCPKHFHSA-N 0 3 498.672 3.247 20 0 JGADHN COCC1(C)CCN(c2nnc(-c3cnccn3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001301094342 1065941849 /nfs/dbraw/zinc/94/18/49/1065941849.db2.gz FBOCMKDBKKQPRG-OAQYLSRUSA-N 0 3 453.566 3.430 20 0 JGADHN CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1ccc2[nH]c(=O)n(CCN(C)C)c2c1 ZINC001301112588 1065957854 /nfs/dbraw/zinc/95/78/54/1065957854.db2.gz YNLQIQWANHHWLN-FQEVSTJZSA-N 0 3 459.591 3.021 20 0 JGADHN COCC1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCN(CC(C)C)CC2)CCCCC1 ZINC001301123330 1065964362 /nfs/dbraw/zinc/96/43/62/1065964362.db2.gz CSGPCNUJMVCCBD-UHFFFAOYSA-N 0 3 469.634 3.300 20 0 JGADHN COCc1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCN(CC(C)C)CC2)c1 ZINC001301171500 1066005157 /nfs/dbraw/zinc/00/51/57/1066005157.db2.gz LMWSXESZZVSOCB-UHFFFAOYSA-N 0 3 482.654 3.242 20 0 JGADHN COCC1=CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC[C@H](C)N2CCCCC2)CC1 ZINC001301185986 1066015526 /nfs/dbraw/zinc/01/55/26/1066015526.db2.gz UEOSKRFBSLEDJN-FQEVSTJZSA-N 0 3 487.670 3.396 20 0 JGADHN COC[C@@H]1CCCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2C[C@H](C)C[C@H](C)C2)C1 ZINC001301244388 1066060657 /nfs/dbraw/zinc/06/06/57/1066060657.db2.gz KDOUIYRYEMFSBM-MBDNFAEBSA-N 0 3 495.734 3.190 20 0 JGADHN COC[C@@H]1CCCCN(c2nnc(C3CCCC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001301247206 1066064156 /nfs/dbraw/zinc/06/41/56/1066064156.db2.gz ZHXCVOWDBVKCQE-IFMALSPDSA-N 0 3 460.667 3.131 20 0 JGADHN COC[C@H]1CCCCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2ccc(F)cc2)N(C)C)C1 ZINC001301247866 1066064924 /nfs/dbraw/zinc/06/49/24/1066064924.db2.gz BBWDEFVAIZDAGT-UGKGYDQZSA-N 0 3 472.609 3.095 20 0 JGADHN COC[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001301265607 1066081323 /nfs/dbraw/zinc/08/13/23/1066081323.db2.gz LHMUERURAGTXDI-IBGZPJMESA-N 0 3 491.080 3.496 20 0 JGADHN COCC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccc(C)cc2)N2CCCC2)CC1 ZINC001301285982 1066094200 /nfs/dbraw/zinc/09/42/00/1066094200.db2.gz KXNSVYSUSXWIQA-HSZRJFAPSA-N 0 3 468.646 3.425 20 0 JGADHN COC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCN(C)Cc2ccc(F)cc2)CCO1 ZINC001301369879 1066164457 /nfs/dbraw/zinc/16/44/57/1066164457.db2.gz USBSSFHQROJKBK-FQEVSTJZSA-N 0 3 474.968 3.116 20 0 JGADHN COC[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCN(C)Cc2ccc(F)cc2)C[C@H](C)O1 ZINC001301398364 1066179475 /nfs/dbraw/zinc/17/94/75/1066179475.db2.gz CYLYXQQLUIXNEI-AVRDEDQJSA-N 0 3 473.618 3.442 20 0 JGADHN COC[C@H]1CN(c2nnc(CCc3ccccc3)n2C[C@@H](c2cccs2)N(C)C)CCO1 ZINC001301402721 1066183699 /nfs/dbraw/zinc/18/36/99/1066183699.db2.gz KOZBCJGRRUVHTB-RTWAWAEBSA-N 0 3 455.628 3.279 20 0 JGADHN COCCC(C)(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001301432851 1066231865 /nfs/dbraw/zinc/23/18/65/1066231865.db2.gz UAUYPWFGPFOROA-UHFFFAOYSA-N 0 3 475.609 3.360 20 0 JGADHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(C3CCC3)n2C[C@@H](c2ccccc2)N(C)C)C1 ZINC001301946226 1066236301 /nfs/dbraw/zinc/23/63/01/1066236301.db2.gz UPEKAVIZPNQIJX-PTUXOGIPSA-N 0 3 468.646 3.216 20 0 JGADHN COCCC1(Cn2c(CC(C)C)nnc2N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)CCCC1 ZINC001301480142 1066301463 /nfs/dbraw/zinc/30/14/63/1066301463.db2.gz KMMKBRJCBIWHEV-VWNXMTODSA-N 0 3 488.721 3.452 20 0 JGADHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](C1CC1)N(C)C ZINC001301988469 1066304433 /nfs/dbraw/zinc/30/44/33/1066304433.db2.gz DUGXARWFPCDIFI-XFQAVAEZSA-N 0 3 458.632 3.024 20 0 JGADHN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc3cccnc32)n1CC(C)(C)CN(C)C ZINC001301989907 1066308066 /nfs/dbraw/zinc/30/80/66/1066308066.db2.gz QESXATOBTHHZEM-ROUUACIJSA-N 0 3 472.659 3.339 20 0 JGADHN C[C@H]([C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CC(C)(C)CN(C)C)S(C)(=O)=O ZINC001301991268 1066311083 /nfs/dbraw/zinc/31/10/83/1066311083.db2.gz MRLXXDGSFZKMGV-ZWKOTPCHSA-N 0 3 474.675 3.282 20 0 JGADHN C[C@H]([C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCN1CCCCC1)S(C)(=O)=O ZINC001301993472 1066318060 /nfs/dbraw/zinc/31/80/60/1066318060.db2.gz WDVBVXPMODGEKS-LEWJYISDSA-N 0 3 499.685 3.265 20 0 JGADHN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC1(N(C)C)CCCC1 ZINC001301994634 1066320128 /nfs/dbraw/zinc/32/01/28/1066320128.db2.gz CVSJTXBRTVFCGP-OALUTQOASA-N 0 3 486.686 3.482 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2C[C@H]3CCC[C@@H](C2)C3O)n1C[C@@H](c1ccc(C)cc1)N(C)C ZINC001301997870 1066328010 /nfs/dbraw/zinc/32/80/10/1066328010.db2.gz FIFAHBWAJURJPH-VLTMGTBJSA-N 0 3 471.646 3.211 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CC=CCC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001301999602 1066331778 /nfs/dbraw/zinc/33/17/78/1066331778.db2.gz HESRVTALTDNJRA-GMAHTHKFSA-N 0 3 455.603 3.060 20 0 JGADHN CCC1(N2CCOCC2)CCN(C(=O)[C@H](CC(C)C)NC(=O)NCc2ccc(C)cc2)CC1 ZINC001302010504 1066353731 /nfs/dbraw/zinc/35/37/31/1066353731.db2.gz VXFHODNNWCSZBP-QHCPKHFHSA-N 0 3 458.647 3.312 20 0 JGADHN COCCCCn1c(Cc2ccccc2F)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001301574317 1066399986 /nfs/dbraw/zinc/39/99/86/1066399986.db2.gz MCCOIONOCIKZEX-QFIPXVFZSA-N 0 3 458.626 3.039 20 0 JGADHN CC(C)(C)c1nnc(N2CCC(CN3CCOCC3)CC2)n1CC1CCN(CC(F)(F)F)CC1 ZINC001302052856 1066442446 /nfs/dbraw/zinc/44/24/46/1066442446.db2.gz BFPNDLJKSMHBCP-UHFFFAOYSA-N 0 3 486.627 3.399 20 0 JGADHN CC(C)(C)c1nnc(N2CCC(N3CCCCC3)CC2)n1CC1(S(C)(=O)=O)CCCC1 ZINC001302063513 1066461663 /nfs/dbraw/zinc/46/16/63/1066461663.db2.gz KXJYDRZQBHZSBB-UHFFFAOYSA-N 0 3 451.681 3.388 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCCC3(CCCC3)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001302064633 1066463879 /nfs/dbraw/zinc/46/38/79/1066463879.db2.gz DIGBLXNJGJMTGU-NRFANRHFSA-N 0 3 462.683 3.189 20 0 JGADHN COCCCn1c(-c2cc(OC)ccc2Br)nnc1N1CCN(C2CCOCC2)CC1 ZINC001301629922 1066490604 /nfs/dbraw/zinc/49/06/04/1066490604.db2.gz VYKXNCSFWCZXOV-UHFFFAOYSA-N 0 3 494.434 3.054 20 0 JGADHN CC(C)(C)c1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1C[C@@H](c1cccs1)N1CCCC1 ZINC001302079043 1066492800 /nfs/dbraw/zinc/49/28/00/1066492800.db2.gz WFKUBSGNRHSTQM-MOPGFXCFSA-N 0 3 494.731 3.240 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1cc(Cl)c2c(c1)OCCO2 ZINC001302079679 1066494481 /nfs/dbraw/zinc/49/44/81/1066494481.db2.gz LYKAKNZGIFEIFN-QGZVFWFLSA-N 0 3 494.036 3.396 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCN(CC3CCOCC3)CC2)n1Cc1ccc(Cl)cc1 ZINC001302089361 1066516066 /nfs/dbraw/zinc/51/60/66/1066516066.db2.gz NNZFBQVVMCTSDO-LJQANCHMSA-N 0 3 478.037 3.252 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCN(C3CCC(C)CC3)CC2)n1C[C@@](C)(O)c1ccco1 ZINC001302096220 1066526726 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RHXGUZNRRQZSNC-SFTDATJTSA-N 0 3 459.587 3.146 20 0 JGADHN CC(=O)N1CCCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001301697166 1066585916 /nfs/dbraw/zinc/58/59/16/1066585916.db2.gz WUPZCCWDHGHYSA-NRFANRHFSA-N 0 3 454.550 3.347 20 0 JGADHN CC(=O)N1CCCN(c2nnc(Cc3ccsc3)n2C[C@@H](c2ccccc2)N(C)C)CC1 ZINC001301706482 1066596329 /nfs/dbraw/zinc/59/63/29/1066596329.db2.gz ZKVMMAWHLQVMDG-QFIPXVFZSA-N 0 3 452.628 3.292 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)C)n3C[C@@H](C)Oc3ccccc3)C[C@@H]2C)CC1 ZINC001301707658 1066598175 /nfs/dbraw/zinc/59/81/75/1066598175.db2.gz DZDPSWSYWCDFDB-SGIRGMQISA-N 0 3 482.673 3.323 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(CC(C)(C)C)n3CCCCOC(C)C)C[C@H]2C)CC1 ZINC001301707566 1066598524 /nfs/dbraw/zinc/59/85/24/1066598524.db2.gz CYRYSGXHTZQOEZ-GGAORHGYSA-N 0 3 476.710 3.451 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4cccn4C)n3CCCC(C)(C)C)C[C@@H]2C)CC1 ZINC001301708192 1066599463 /nfs/dbraw/zinc/59/94/63/1066599463.db2.gz JIXVPIISZWBDJJ-NZQKXSOJSA-N 0 3 469.678 3.489 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3C[C@H](C)N(C)c3ccccc3)C[C@H]2C)CC1 ZINC001301708335 1066600517 /nfs/dbraw/zinc/60/05/17/1066600517.db2.gz LRIMZIFRAKPRAY-OTNCWRBYSA-N 0 3 481.689 3.305 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)C)n3CCc3ccsc3)C[C@H]2C)CC1 ZINC001301708485 1066601301 /nfs/dbraw/zinc/60/13/01/1066601301.db2.gz NVIQPGGEOQJHKF-DENIHFKCSA-N 0 3 458.676 3.160 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc([C@H]4CCCCO4)n3CCCC(F)(F)F)C[C@@H]2C)CC1 ZINC001301708522 1066601323 /nfs/dbraw/zinc/60/13/23/1066601323.db2.gz OLOBEHRLVQDUTA-DFQSSKMNSA-N 0 3 486.583 3.241 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc([C@@H]4CCCCO4)n3CCCC(F)(F)F)C[C@@H]2C)CC1 ZINC001301708525 1066602079 /nfs/dbraw/zinc/60/20/79/1066602079.db2.gz OLOBEHRLVQDUTA-SXLOBPIMSA-N 0 3 486.583 3.241 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC4CCCC4)n3CCOC(C)(C)C)C[C@H]2C)CC1 ZINC001301709648 1066603569 /nfs/dbraw/zinc/60/35/69/1066603569.db2.gz VPAAXHVZKARLPO-NFBKMPQASA-N 0 3 474.694 3.205 20 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COCCN(C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCS[C@H](C)[C@H]1C ZINC001301723147 1066633507 /nfs/dbraw/zinc/63/35/07/1066633507.db2.gz XDJGFGOMVMYNRB-FGTMMUONSA-N 0 3 451.612 3.466 20 0 JGADHN CC(=O)N1CCN(c2nnc(-c3ccc(C)c(Br)c3)n2CCN2CC=CCC2)[C@H](C)C1 ZINC001301725875 1066641593 /nfs/dbraw/zinc/64/15/93/1066641593.db2.gz UAFIMTPJZIWSQA-GOSISDBHSA-N 0 3 487.446 3.335 20 0 JGADHN COCCN(C)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001301730496 1066649070 /nfs/dbraw/zinc/64/90/70/1066649070.db2.gz AUDHUHZHZZSUFI-SLFFLAALSA-N 0 3 476.666 3.063 20 0 JGADHN COCCN(C)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC001301731113 1066650678 /nfs/dbraw/zinc/65/06/78/1066650678.db2.gz JZTNHDZAHMJKBP-SFTDATJTSA-N 0 3 464.010 3.329 20 0 JGADHN COCCN(C)CCn1c(C2CCC2)nnc1N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC001301731140 1066650757 /nfs/dbraw/zinc/65/07/57/1066650757.db2.gz KGVPWSLLEZTUTI-UHFFFAOYSA-N 0 3 466.552 3.469 20 0 JGADHN CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2cccs2)N(C)C)[C@@H](C)C1 ZINC001301734346 1066655290 /nfs/dbraw/zinc/65/52/90/1066655290.db2.gz QPLJCEGSTOATAZ-FXAWDEMLSA-N 0 3 453.616 3.070 20 0 JGADHN COCCN(C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001301734791 1066655942 /nfs/dbraw/zinc/65/59/42/1066655942.db2.gz RFGVTEYZSPHRTQ-HXUWFJFHSA-N 0 3 450.027 3.352 20 0 JGADHN COCCN(C)CCn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001301734663 1066655980 /nfs/dbraw/zinc/65/59/80/1066655980.db2.gz PSVSBRRNITVMGV-MAUKXSAKSA-N 0 3 475.943 3.257 20 0 JGADHN COCCN(C)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)c1ccc(C)cc1 ZINC001301734995 1066656708 /nfs/dbraw/zinc/65/67/08/1066656708.db2.gz USMDTSOWNFZMFO-OAQYLSRUSA-N 0 3 488.633 3.241 20 0 JGADHN COCCN(C)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@]2(CC=CCC2)C1 ZINC001301736962 1066659400 /nfs/dbraw/zinc/65/94/00/1066659400.db2.gz QUPZJOBAEZOCBU-DEOSSOPVSA-N 0 3 472.659 3.175 20 0 JGADHN COCCN(C)CCn1c(COc2ccc(F)cc2)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001301737037 1066659425 /nfs/dbraw/zinc/65/94/25/1066659425.db2.gz RRQXBHJCRLQMHW-UHFFFAOYSA-N 0 3 458.365 3.474 20 0 JGADHN COCCN(C)CCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC001301737384 1066659476 /nfs/dbraw/zinc/65/94/76/1066659476.db2.gz XQJMGIVFLSFJLH-IRXDYDNUSA-N 0 3 454.040 3.419 20 0 JGADHN COCCN(C)CCn1c(CC2CC2)nnc1N(C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001301737424 1066659548 /nfs/dbraw/zinc/65/95/48/1066659548.db2.gz YMECCIAFNOHUCM-WCRBZPEASA-N 0 3 476.666 3.176 20 0 JGADHN COCCN(C)CCn1c(N2CCC[C@@]3(CC=CCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001301739974 1066660867 /nfs/dbraw/zinc/66/08/67/1066660867.db2.gz GYALVBHSGYUDJT-DQEYMECFSA-N 0 3 461.651 3.224 20 0 JGADHN COCCN(C)CCn1c(N2CCC[C@]3(CC=CCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001301739975 1066660948 /nfs/dbraw/zinc/66/09/48/1066660948.db2.gz GYALVBHSGYUDJT-JWQCQUIFSA-N 0 3 461.651 3.224 20 0 JGADHN COCCN(C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(C)C)C1 ZINC001301740091 1066661219 /nfs/dbraw/zinc/66/12/19/1066661219.db2.gz JFYFHWYSOGAAOL-UXHICEINSA-N 0 3 464.655 3.411 20 0 JGADHN COCCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1N(C)CCCC1(C)C)[C@@H]1CC[C@H](C)C1 ZINC001301740340 1066661415 /nfs/dbraw/zinc/66/14/15/1066661415.db2.gz BMVIZUIUOADJIW-HBMCJLEFSA-N 0 3 460.667 3.276 20 0 JGADHN COCCN(C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 ZINC001301742056 1066664443 /nfs/dbraw/zinc/66/44/43/1066664443.db2.gz UMKCQNBIUIWNHZ-XLGIIRLISA-N 0 3 489.636 3.012 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2nnc(C(C)(C)C)s2)CC1 ZINC001302190966 1066672858 /nfs/dbraw/zinc/67/28/58/1066672858.db2.gz KZTZHWJMWZOFRV-UHFFFAOYSA-N 0 3 488.706 3.270 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)C2CCCCC2)CC1 ZINC001302191306 1066674222 /nfs/dbraw/zinc/67/42/22/1066674222.db2.gz YZIZPZFUPNLUQW-AREMUKBSSA-N 0 3 474.694 3.404 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@]2(O)CCSC2)CC1 ZINC001302192201 1066676071 /nfs/dbraw/zinc/67/60/71/1066676071.db2.gz GEFXZFISIUCVPR-VWLOTQADSA-N 0 3 473.687 3.326 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2nnc(C(C)(C)C)s2)CC1 ZINC001302192807 1066677395 /nfs/dbraw/zinc/67/73/95/1066677395.db2.gz LGGXZHWJYFOABJ-UHFFFAOYSA-N 0 3 488.706 3.156 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(-n3cncn3)nc2)CC1 ZINC001302192550 1066677433 /nfs/dbraw/zinc/67/74/33/1066677433.db2.gz JJXQFNNHSXXPTB-UHFFFAOYSA-N 0 3 465.650 3.449 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2COCCO2)CC1 ZINC001302194366 1066681148 /nfs/dbraw/zinc/68/11/48/1066681148.db2.gz ZRUMWTWBFAFTOM-GOSISDBHSA-N 0 3 463.573 3.121 20 0 JGADHN CC(C)(C)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC001302202419 1066697991 /nfs/dbraw/zinc/69/79/91/1066697991.db2.gz FSZYSWRZCBYEOS-QGZVFWFLSA-N 0 3 466.508 3.097 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[C@@H]2CCCCO2)CC1 ZINC001302203230 1066699333 /nfs/dbraw/zinc/69/93/33/1066699333.db2.gz QFQZMQZZGRBMHD-SFHVURJKSA-N 0 3 460.648 3.149 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(Cc3ccncc3)n2CC2CCN(CC(F)(F)F)CC2)CC1 ZINC001302203432 1066700067 /nfs/dbraw/zinc/70/00/67/1066700067.db2.gz RHCUYNATTCLHFO-UHFFFAOYSA-N 0 3 479.595 3.459 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(O)CCCC2)CC1 ZINC001302203721 1066700501 /nfs/dbraw/zinc/70/05/01/1066700501.db2.gz UMRPFQOVWRVVJX-UHFFFAOYSA-N 0 3 475.037 3.087 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(Br)n2)CC1 ZINC001302203754 1066700660 /nfs/dbraw/zinc/70/06/60/1066700660.db2.gz WBVKLBMJQWQFRS-UHFFFAOYSA-N 0 3 470.419 3.390 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@H]2CCC(=O)N2)CC1 ZINC001302203839 1066700696 /nfs/dbraw/zinc/70/06/96/1066700696.db2.gz XWJBYHBQVHXRMN-MRXNPFEDSA-N 0 3 481.428 3.363 20 0 JGADHN COCCN(CC(C)C)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001301770315 1066713413 /nfs/dbraw/zinc/71/34/13/1066713413.db2.gz LHMGZQGRCJZFHV-JOCHJYFZSA-N 0 3 468.646 3.175 20 0 JGADHN CC(C)(C)NC(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001302212531 1066714642 /nfs/dbraw/zinc/71/46/42/1066714642.db2.gz OVJGAPYCJGWWOA-UHFFFAOYSA-N 0 3 489.064 3.452 20 0 JGADHN COCCN(Cc1ccc(C)o1)c1nnc(C(=O)NC(C)C)n1C[C@H]1N(C)CCCC1(C)C ZINC001301779104 1066727101 /nfs/dbraw/zinc/72/71/01/1066727101.db2.gz ZOAXVDFCFFGSHI-HXUWFJFHSA-N 0 3 460.623 3.091 20 0 JGADHN COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CCN(Cc3cccc(C)c3)C2)c(OC)c1 ZINC001301781682 1066731431 /nfs/dbraw/zinc/73/14/31/1066731431.db2.gz FTVFPKPLCZQXEQ-NFBKMPQASA-N 0 3 451.567 3.008 20 0 JGADHN COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N[C@H]2CCN(Cc3cccc(C)c3)C2)c(OC)c1 ZINC001301781683 1066731450 /nfs/dbraw/zinc/73/14/50/1066731450.db2.gz FTVFPKPLCZQXEQ-NZQKXSOJSA-N 0 3 451.567 3.008 20 0 JGADHN COCCN(Cc1ccccc1)c1nnc(-c2cccc(C)n2)n1CCN1CCN(C)C(C)(C)C1 ZINC001301783464 1066731894 /nfs/dbraw/zinc/73/18/94/1066731894.db2.gz ZLAQPWHTLSAXFS-UHFFFAOYSA-N 0 3 477.657 3.328 20 0 JGADHN CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@H]2CCCO2)C1 ZINC001302225888 1066738892 /nfs/dbraw/zinc/73/88/92/1066738892.db2.gz VWOPZDRTTCWXNS-WOJBJXKFSA-N 0 3 476.666 3.492 20 0 JGADHN CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H]1CCCO1 ZINC001302230880 1066746126 /nfs/dbraw/zinc/74/61/26/1066746126.db2.gz CVJHSIOLOLWUMJ-OALUTQOASA-N 0 3 462.639 3.450 20 0 JGADHN CC(=O)Nc1cccc(Cn2c(CC(C)C)nnc2N2CCC(CN3CCOCC3)CC2)c1 ZINC001301798877 1066750759 /nfs/dbraw/zinc/75/07/59/1066750759.db2.gz NUPFKCLPQGLFNK-UHFFFAOYSA-N 0 3 454.619 3.032 20 0 JGADHN CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccoc1 ZINC001302239759 1066762271 /nfs/dbraw/zinc/76/22/71/1066762271.db2.gz CRRMTQXXBFSZAG-LJQANCHMSA-N 0 3 474.606 3.148 20 0 JGADHN COCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001301818736 1066779046 /nfs/dbraw/zinc/77/90/46/1066779046.db2.gz RWHSOWYTAGVVHR-CTNGQTDRSA-N 0 3 477.053 3.323 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccccn2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001302254535 1066796407 /nfs/dbraw/zinc/79/64/07/1066796407.db2.gz XDGJYTFYNLROQO-VJBMBRPKSA-N 0 3 468.577 3.476 20 0 JGADHN CC(=O)NC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 ZINC001301840724 1066811996 /nfs/dbraw/zinc/81/19/96/1066811996.db2.gz NEFJKCQITDBXGV-HSZRJFAPSA-N 0 3 465.577 3.195 20 0 JGADHN CC(C)(C)OC(=O)NCCCCn1c(N2CCN(C[C@H]3CCOC3)CC2)nnc1C(C)(C)C ZINC001302266715 1066824262 /nfs/dbraw/zinc/82/42/62/1066824262.db2.gz RPDVJIILNQOLDH-LJQANCHMSA-N 0 3 464.655 3.039 20 0 JGADHN CC(C)(C)OC(=O)NCCn1c(-c2ccc[nH]2)nnc1N1CCN(CCc2ccccc2)CC1 ZINC001302275668 1066840403 /nfs/dbraw/zinc/84/04/03/1066840403.db2.gz UDPNVOTWLIIBDA-UHFFFAOYSA-N 0 3 465.602 3.163 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C)[C@H](OC)C2)n1C[C@@H](c1ccc(C)cc1)N(C)C ZINC001302277670 1066845400 /nfs/dbraw/zinc/84/54/00/1066845400.db2.gz JVCDFGKHEFADOE-RLQAPTBRSA-N 0 3 471.646 3.475 20 0 JGADHN CC(=O)NCC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001301882874 1066890901 /nfs/dbraw/zinc/89/09/01/1066890901.db2.gz GWCVJDYRIVGGRA-XMMPIXPASA-N 0 3 479.604 3.443 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H](C)c1c(C)noc1C ZINC001302305392 1066894245 /nfs/dbraw/zinc/89/42/45/1066894245.db2.gz OLBJSPNTKSEKIZ-LRQRDZAKSA-N 0 3 460.623 3.331 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H](C)c1c(C)noc1C ZINC001302305393 1066894313 /nfs/dbraw/zinc/89/43/13/1066894313.db2.gz OLBJSPNTKSEKIZ-PBEJRMEISA-N 0 3 460.623 3.331 20 0 JGADHN COCCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCN2CCOCC2)C[C@H]1C ZINC001301886750 1066898328 /nfs/dbraw/zinc/89/83/28/1066898328.db2.gz AJOGFDFYSWXTEG-JOCHJYFZSA-N 0 3 484.689 3.122 20 0 JGADHN COCCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCCN2CCOCC2)C[C@@H]1C ZINC001301886751 1066898512 /nfs/dbraw/zinc/89/85/12/1066898512.db2.gz AJOGFDFYSWXTEG-QFIPXVFZSA-N 0 3 484.689 3.122 20 0 JGADHN CC(=O)NCC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 ZINC001301887193 1066899573 /nfs/dbraw/zinc/89/95/73/1066899573.db2.gz PEXAXPAJWKCXJX-ZEQRLZLVSA-N 0 3 468.646 3.136 20 0 JGADHN CC(=O)NCC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 ZINC001301887192 1066899681 /nfs/dbraw/zinc/89/96/81/1066899681.db2.gz PEXAXPAJWKCXJX-RPWUZVMVSA-N 0 3 468.646 3.136 20 0 JGADHN CC(=O)NCC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 ZINC001301887191 1066899818 /nfs/dbraw/zinc/89/98/18/1066899818.db2.gz PEXAXPAJWKCXJX-DNQXCXABSA-N 0 3 468.646 3.136 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(CCC(C)(C)C)CC2)n1CC1(C)CCOCC1 ZINC001302311024 1066904783 /nfs/dbraw/zinc/90/47/83/1066904783.db2.gz GEBJGIFYDFPIRL-SFTDATJTSA-N 0 3 463.667 3.377 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(CCC(C)(C)C)CC2)n1CCCc1c[nH]nc1C ZINC001302311547 1066905168 /nfs/dbraw/zinc/90/51/68/1066905168.db2.gz MVPUYKUQCBWJGC-VXKWHMMOSA-N 0 3 473.666 3.225 20 0 JGADHN CC(C)(C)[S@](=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001302320377 1066917826 /nfs/dbraw/zinc/91/78/26/1066917826.db2.gz DLLMIPHBGBUVPV-MGBGTMOVSA-N 0 3 495.093 3.089 20 0 JGADHN CC(=O)NC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@H](c2cccs2)N(C)C)CCO1 ZINC001301904885 1066930349 /nfs/dbraw/zinc/93/03/49/1066930349.db2.gz WWVWTCOCWIVYTH-FXAWDEMLSA-N 0 3 489.045 3.304 20 0 JGADHN COCCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccccc2Cl)N(C)C)C[C@H]1C ZINC001301910468 1066934865 /nfs/dbraw/zinc/93/48/65/1066934865.db2.gz CNSCCGKWGHEVDS-TXTKFYIRSA-N 0 3 491.080 3.285 20 0 JGADHN COCCN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CN(Cc3ccccc3)CCCO2)C[C@@H]1C ZINC001301913054 1066941320 /nfs/dbraw/zinc/94/13/20/1066941320.db2.gz SJLOIZQBSRQENT-ZCYQVOJMSA-N 0 3 498.716 3.315 20 0 JGADHN CC(C)(CN1CCCC1)Cn1c(Cc2ccsc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001302350445 1066945274 /nfs/dbraw/zinc/94/52/74/1066945274.db2.gz LCSUGTVEAPGMMG-HXUWFJFHSA-N 0 3 479.716 3.456 20 0 JGADHN COCCN1CCN(c2nnc(Cc3ccsc3)n2C[C@H](c2ccsc2)N(C)C)CC1 ZINC001301920894 1066953992 /nfs/dbraw/zinc/95/39/92/1066953992.db2.gz DMGDWHNIDHVGTH-HXUWFJFHSA-N 0 3 460.673 3.063 20 0 JGADHN CC(C)=CCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001302390064 1066970493 /nfs/dbraw/zinc/97/04/93/1066970493.db2.gz SAPHSHUZKJXAOY-QFIPXVFZSA-N 0 3 470.593 3.095 20 0 JGADHN CC(C)C(=O)N1CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2cccs2)N(C)C)CC1 ZINC001302399310 1066979449 /nfs/dbraw/zinc/97/94/49/1066979449.db2.gz YWBPFUDQGPOADG-UXHICEINSA-N 0 3 474.675 3.231 20 0 JGADHN CC(C)C(=O)N1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2cccs2)N(C)C)CC1 ZINC001302399309 1066979638 /nfs/dbraw/zinc/97/96/38/1066979638.db2.gz YWBPFUDQGPOADG-PMACEKPBSA-N 0 3 474.675 3.231 20 0 JGADHN CC(C)C(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CC=CCC2)CC1 ZINC001302404010 1066985168 /nfs/dbraw/zinc/98/51/68/1066985168.db2.gz LJQMHEJBPJJYAJ-UHFFFAOYSA-N 0 3 457.022 3.089 20 0 JGADHN COCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc([C@H]3CCCO3)n2C[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC001301944147 1066995772 /nfs/dbraw/zinc/99/57/72/1066995772.db2.gz LQDNOXJORXASHM-MZURWIMNSA-N 0 3 498.672 3.108 20 0 JGADHN CC(C)C(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2cccs2)N(C)C)C1 ZINC001302417216 1066999993 /nfs/dbraw/zinc/99/99/93/1066999993.db2.gz HXJNACLLWKUMBO-ZCNNSNEGSA-N 0 3 474.675 3.278 20 0 JGADHN CC(C)C(=O)N[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2ccc(F)cc2)N(C)C)C1 ZINC001302420161 1067005276 /nfs/dbraw/zinc/00/52/76/1067005276.db2.gz XPYCACAJUPAUBL-RPWUZVMVSA-N 0 3 493.631 3.447 20 0 JGADHN CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3F)n2CCCN2CCCC2)C1 ZINC001302435753 1067030490 /nfs/dbraw/zinc/03/04/90/1067030490.db2.gz WTHNSPWBVJKXSD-KRWDZBQOSA-N 0 3 470.014 3.237 20 0 JGADHN CC1=C(Br)CN(c2nnc(C(=O)N3CCCC3)n2CCN2CCC[C@@H](C)C2)CC1 ZINC001303999011 1067041673 /nfs/dbraw/zinc/04/16/73/1067041673.db2.gz DDDOLZNRYPFEBW-MRXNPFEDSA-N 0 3 465.440 3.125 20 0 JGADHN CC(C)[C@H](C)NC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001302509842 1067116723 /nfs/dbraw/zinc/11/67/23/1067116723.db2.gz HRAYSIFYPQNDMA-NRFANRHFSA-N 0 3 489.753 3.270 20 0 JGADHN CC(C)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)N1CCCC1 ZINC001302512483 1067124956 /nfs/dbraw/zinc/12/49/56/1067124956.db2.gz CSPMSXGLYWUOPN-UXHICEINSA-N 0 3 466.051 3.342 20 0 JGADHN CC(C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)N1CCCC1 ZINC001302515628 1067133835 /nfs/dbraw/zinc/13/38/35/1067133835.db2.gz ZPRPGOYZOGLVKP-MOPGFXCFSA-N 0 3 481.066 3.127 20 0 JGADHN CC(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(F)c(F)c(F)c1)N1CCCC1 ZINC001302527540 1067154101 /nfs/dbraw/zinc/15/41/01/1067154101.db2.gz YIISHQKXVGREIA-PXNSSMCTSA-N 0 3 499.603 3.354 20 0 JGADHN CC(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)N1CCCC1 ZINC001302527820 1067154794 /nfs/dbraw/zinc/15/47/94/1067154794.db2.gz ZSBYCORELLISKF-NJYVYQBISA-N 0 3 481.707 3.085 20 0 JGADHN CC(C)(C)OC(=O)NC1(CC(=O)NC2(c3ncon3)CC2)CCN(Cc2ccccc2)CC1 ZINC001304124773 1067163942 /nfs/dbraw/zinc/16/39/42/1067163942.db2.gz UTRCYLORTUCKPY-UHFFFAOYSA-N 0 3 455.559 3.125 20 0 JGADHN CS[C@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001302560287 1067201293 /nfs/dbraw/zinc/20/12/93/1067201293.db2.gz CVLZBQSLXJURNY-QGZVFWFLSA-N 0 3 465.614 3.447 20 0 JGADHN CS[C@@H](C)Cn1c(CCOc2ccccc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001302566527 1067205761 /nfs/dbraw/zinc/20/57/61/1067205761.db2.gz GJHVIWZTMLOHGL-FQEVSTJZSA-N 0 3 459.660 3.200 20 0 JGADHN CC(C)CNC(=O)N1CCC[C@@H](CC(=O)N2CCCN(Cc3ccccc3)CCOCC2)C1 ZINC001304166469 1067212831 /nfs/dbraw/zinc/21/28/31/1067212831.db2.gz XTMFEMHSJDFTKQ-DEOSSOPVSA-N 0 3 458.647 3.205 20 0 JGADHN CS[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC2CCOCC2)CC1)C(C)(C)C ZINC001302578905 1067216770 /nfs/dbraw/zinc/21/67/70/1067216770.db2.gz NEBWSXCOBSPZPJ-HXUWFJFHSA-N 0 3 461.680 3.005 20 0 JGADHN CS[C@H](Cn1c(Cc2ccccn2)nnc1N1CCN(C[C@@H]2CCOC2)CC1)C(C)(C)C ZINC001302587808 1067224806 /nfs/dbraw/zinc/22/48/06/1067224806.db2.gz GBKWYLJEJQOMRN-PZJWPPBQSA-N 0 3 458.676 3.200 20 0 JGADHN CC(C)c1nnc(N(C)CCN2CCOC(C)(C)C2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001302593271 1067231661 /nfs/dbraw/zinc/23/16/61/1067231661.db2.gz MAPWBLAZTIPELW-DEOSSOPVSA-N 0 3 484.689 3.240 20 0 JGADHN Cc1cc(C)nc(N2CCN(c3nnc(C(C)(C)C)n3CCN(C)Cc3ccccc3)CC2)n1 ZINC001304192032 1067242624 /nfs/dbraw/zinc/24/26/24/1067242624.db2.gz WSBIHZHSWDNYGP-UHFFFAOYSA-N 0 3 462.646 3.441 20 0 JGADHN CC(C)c1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1Cc1cccc(Br)n1 ZINC001302633122 1067262022 /nfs/dbraw/zinc/26/20/22/1067262022.db2.gz MDHDZAACHYAJDX-IBGZPJMESA-N 0 3 476.467 3.212 20 0 JGADHN CC(C)c1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1Cc1nnc(C(C)(C)C)s1 ZINC001302633094 1067262066 /nfs/dbraw/zinc/26/20/66/1067262066.db2.gz LCIYDXFSOOGWFM-SFHVURJKSA-N 0 3 460.696 3.204 20 0 JGADHN CSc1cc(Cn2c(N3CCN(CC(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)ccn1 ZINC001302644602 1067273098 /nfs/dbraw/zinc/27/30/98/1067273098.db2.gz CUQZMDFCXDAJKX-XMMPIXPASA-N 0 3 474.675 3.262 20 0 JGADHN Cc1cccc([C@@H](NC(=O)c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)C(=O)OC(C)(C)C)c1 ZINC001304240545 1067278118 /nfs/dbraw/zinc/27/81/18/1067278118.db2.gz ZEKMVCQWRLPMNM-OAQYLSRUSA-N 0 3 452.555 3.425 20 0 JGADHN Cc1cccc(OCCN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H]2N(C)CCCC2(C)C)c1 ZINC001304251139 1067286403 /nfs/dbraw/zinc/28/64/03/1067286403.db2.gz WNMXAGMFAIJZIF-NRFANRHFSA-N 0 3 456.635 3.360 20 0 JGADHN CS[C@@H]1CCCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(N(C)C)CCSC2)C1 ZINC001302663583 1067290416 /nfs/dbraw/zinc/29/04/16/1067290416.db2.gz OSTWYJXTDIPKKG-VGOFRKELSA-N 0 3 475.688 3.085 20 0 JGADHN CC(C)c1nnc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001302671569 1067297509 /nfs/dbraw/zinc/29/75/09/1067297509.db2.gz XQVGHYROJBVVPD-UHFFFAOYSA-N 0 3 454.619 3.334 20 0 JGADHN Cc1ccc([C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CC(C)(C)OC[C@@H]2C)N(C)C)cc1 ZINC001304273273 1067309602 /nfs/dbraw/zinc/30/96/02/1067309602.db2.gz JOOIHOZHFWIISC-PZJWPPBQSA-N 0 3 454.619 3.129 20 0 JGADHN Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(C4CCOCC4)C[C@@H]3C)n2CC(=O)N(C)C)c1 ZINC001304276209 1067314439 /nfs/dbraw/zinc/31/44/39/1067314439.db2.gz ZEEQBBGCPXXBJN-NRFANRHFSA-N 0 3 498.672 3.067 20 0 JGADHN Cc1ccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)N(C)C)cc1 ZINC001304276739 1067315240 /nfs/dbraw/zinc/31/52/40/1067315240.db2.gz URUHZZSHOVECIU-RTWAWAEBSA-N 0 3 499.660 3.131 20 0 JGADHN Cc1ccc([C@H](Cn2c([C@H]3CCCOC3)nnc2N2CCN(CC(C)C)C(=O)C2)N(C)C)cc1 ZINC001304277986 1067316988 /nfs/dbraw/zinc/31/69/88/1067316988.db2.gz HQRBSRIMMOFBNW-GOTSBHOMSA-N 0 3 468.646 3.088 20 0 JGADHN Cc1ccc([C@@H](Cn2c(N3CCC(CO)CC3)nnc2[C@]2(OC(C)C)CCOC2)N(C)C)cc1 ZINC001304278563 1067318151 /nfs/dbraw/zinc/31/81/51/1067318151.db2.gz SLBXADNLOOGYDS-BVAGGSTKSA-N 0 3 471.646 3.139 20 0 JGADHN Cc1ccc([C@@H](Cn2c(N3CCCOCC3)nnc2[C@@]2(OC(C)C)CCOC2)N(C)C)cc1 ZINC001304278389 1067318239 /nfs/dbraw/zinc/31/82/39/1067318239.db2.gz ONEZEOHOYSARFP-RCZVLFRGSA-N 0 3 457.619 3.157 20 0 JGADHN CC(C)c1nnc(N2CCN(CC3CCOCC3)CC2)n1C[C@@](O)(c1ccccc1)C(F)(F)F ZINC001302693561 1067318749 /nfs/dbraw/zinc/31/87/49/1067318749.db2.gz ULSHRWMQHYVVIK-HSZRJFAPSA-N 0 3 481.563 3.400 20 0 JGADHN CSC[C@@H]1CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCN(C)C(C)(C)C1 ZINC001302695629 1067321021 /nfs/dbraw/zinc/32/10/21/1067321021.db2.gz HTUYPUGBKCSBBP-KRWDZBQOSA-N 0 3 496.523 3.394 20 0 JGADHN Cc1ccc(C)c(OCc2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@H](C)N2CCOCC2)c1 ZINC001304289591 1067335429 /nfs/dbraw/zinc/33/54/29/1067335429.db2.gz UWTNDPDZKWWRQF-QFIPXVFZSA-N 0 3 470.662 3.115 20 0 JGADHN Cc1ccc(CN2CC[C@@H](NC(=O)CC[C@@H]3NC(=O)N(c4ccc(Cl)cc4)C3=O)C2)cc1 ZINC001302720740 1067336902 /nfs/dbraw/zinc/33/69/02/1067336902.db2.gz BFIJUCYPDOFYIF-CTNGQTDRSA-N 0 3 454.958 3.244 20 0 JGADHN Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CC(=O)N(CCOc4ccccc4Cl)C3)C2)cc1 ZINC001302723899 1067338970 /nfs/dbraw/zinc/33/89/70/1067338970.db2.gz NTQCFJYEICEKBX-SFTDATJTSA-N 0 3 455.986 3.266 20 0 JGADHN Cc1ccc(C)c(OCc2nnc(N3CCN(CC(C)C)CC3)n2CCc2ccn(C)n2)c1 ZINC001304291446 1067339382 /nfs/dbraw/zinc/33/93/82/1067339382.db2.gz MLMKQEGTBQCKLG-UHFFFAOYSA-N 0 3 451.619 3.228 20 0 JGADHN Cc1ccc(-c2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2C[C@H](C)CN2CCCCC2)o1 ZINC001304297935 1067347155 /nfs/dbraw/zinc/34/71/55/1067347155.db2.gz QXVZCULGSAMIEL-QRQLOZEOSA-N 0 3 451.637 3.226 20 0 JGADHN Cc1ccc(-c2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2C[C@@H](C)CN2CCCCC2)o1 ZINC001304297939 1067347199 /nfs/dbraw/zinc/34/71/99/1067347199.db2.gz QXVZCULGSAMIEL-UHOSZYNNSA-N 0 3 451.637 3.226 20 0 JGADHN Cc1ccc(-c2nnc(N(C)CCCS(C)(=O)=O)n2C[C@H](C2CCCCC2)N(C)C)o1 ZINC001304303575 1067351394 /nfs/dbraw/zinc/35/13/94/1067351394.db2.gz LFZKOYUUSHPJLR-LJQANCHMSA-N 0 3 451.637 3.228 20 0 JGADHN CC(C)[C@@H]1CCCN1c1nnc(Cc2ccsc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001302743237 1067352576 /nfs/dbraw/zinc/35/25/76/1067352576.db2.gz JYWFZUZWTXKPQH-LEWJYISDSA-N 0 3 458.676 3.498 20 0 JGADHN CSCCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001302743604 1067353026 /nfs/dbraw/zinc/35/30/26/1067353026.db2.gz WWNJNQJHNBUONM-IBGZPJMESA-N 0 3 487.674 3.148 20 0 JGADHN CSCCCCCn1c([C@H]2CCCO2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001302754438 1067359683 /nfs/dbraw/zinc/35/96/83/1067359683.db2.gz KRSYOIPRMXYCTR-LEWJYISDSA-N 0 3 450.697 3.268 20 0 JGADHN CSCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(C)C)CC1 ZINC001302767496 1067366447 /nfs/dbraw/zinc/36/64/47/1067366447.db2.gz OCHHADMCVPHHFW-UHFFFAOYSA-N 0 3 472.707 3.373 20 0 JGADHN Cc1ccc(-c2nnc(N3CCN(CC(C)C)CC3)n2Cc2cccc(C(=O)N(C)C)c2)o1 ZINC001304325891 1067375086 /nfs/dbraw/zinc/37/50/86/1067375086.db2.gz PMXUVHCYYBQSPH-UHFFFAOYSA-N 0 3 450.587 3.375 20 0 JGADHN CC(C)[C@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H](c2ccc(F)cc2)N(C)C)CCS1 ZINC001302784720 1067377852 /nfs/dbraw/zinc/37/78/52/1067377852.db2.gz XLXCKYKGXQQHLG-NHCUHLMSSA-N 0 3 474.650 3.420 20 0 JGADHN CC(C)[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](c2cccs2)N(C)C)CCO1 ZINC001302788052 1067379659 /nfs/dbraw/zinc/37/96/59/1067379659.db2.gz KINRRPCNLPWJMM-QZTJIDSGSA-N 0 3 488.683 3.495 20 0 JGADHN CSCCCN(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001302788397 1067379979 /nfs/dbraw/zinc/37/99/79/1067379979.db2.gz IGHAOAGUWYKJFZ-YADHBBJMSA-N 0 3 459.660 3.262 20 0 JGADHN Cc1ccc(F)c(CN(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(N(C)C)CCSC2)c1 ZINC001304365294 1067404294 /nfs/dbraw/zinc/40/42/94/1067404294.db2.gz MIYWSZZVBZCADQ-DEOSSOPVSA-N 0 3 483.617 3.447 20 0 JGADHN CC(C)C[C@@H](Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)N(C)C ZINC001302818650 1067406557 /nfs/dbraw/zinc/40/65/57/1067406557.db2.gz NYGOKOTXNFTZCJ-RBUKOAKNSA-N 0 3 472.659 3.416 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N(C)CC3CCC3)n2C[C@@H]2CCCN2CCCO)cc1C ZINC001304376382 1067417666 /nfs/dbraw/zinc/41/76/66/1067417666.db2.gz YBKXWXBMCHXUTJ-QFIPXVFZSA-N 0 3 454.619 3.230 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N(C)CC3CCC3)n2C[C@H]2CCCN2CCCO)cc1C ZINC001304376381 1067417701 /nfs/dbraw/zinc/41/77/01/1067417701.db2.gz YBKXWXBMCHXUTJ-JOCHJYFZSA-N 0 3 454.619 3.230 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCOC(C)(C)C3)n2C[C@@]2(N(C)C)CCSC2)cc1C ZINC001304381852 1067429610 /nfs/dbraw/zinc/42/96/10/1067429610.db2.gz DGNULWMEUDELJR-DEOSSOPVSA-N 0 3 472.659 3.200 20 0 JGADHN C[C@@H]1CN(c2nnc(C3CCC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C[C@H]1C(F)(F)F ZINC001302856492 1067439572 /nfs/dbraw/zinc/43/95/72/1067439572.db2.gz QHGDSQSZJRGJBF-KBAYOESNSA-N 0 3 456.557 3.123 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@]2(N(C)C)CCSC2)cc1C ZINC001304386362 1067440404 /nfs/dbraw/zinc/44/04/04/1067440404.db2.gz FBUOEEFMOAECNT-YDIMBITNSA-N 0 3 472.659 3.198 20 0 JGADHN C[C@@H]1CN(C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1Cc1nnc(C(C)(C)C)s1 ZINC001302867393 1067448446 /nfs/dbraw/zinc/44/84/46/1067448446.db2.gz UNIBDSQXBATZAK-MRXNPFEDSA-N 0 3 461.680 3.462 20 0 JGADHN Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)cc1 ZINC001304410471 1067476574 /nfs/dbraw/zinc/47/65/74/1067476574.db2.gz FQGHTYYKPINYNH-UWDQQESISA-N 0 3 489.686 3.299 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCC(CN4CCOCC4)CC3)n2CCC(C)(C)O)cc1C ZINC001304410915 1067478295 /nfs/dbraw/zinc/47/82/95/1067478295.db2.gz XUKVLQQBMFWGCJ-UHFFFAOYSA-N 0 3 471.646 3.184 20 0 JGADHN Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@H](C(C)C)N2CCCC2)cc1C ZINC001304411615 1067479572 /nfs/dbraw/zinc/47/95/72/1067479572.db2.gz URQRTLQJBODNTN-XZOQPEGZSA-N 0 3 489.686 3.218 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCC(S(C)(=O)=O)CC3)n2CCN(C)C2CCCC2)cc1 ZINC001304411593 1067479618 /nfs/dbraw/zinc/47/96/18/1067479618.db2.gz DTDBYTOUJWSXKW-UHFFFAOYSA-N 0 3 475.659 3.053 20 0 JGADHN CC(C)Cc1nnc(N2CCC(NC(=O)C3CC3)CC2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001302898732 1067480554 /nfs/dbraw/zinc/48/05/54/1067480554.db2.gz BPLILAQICFZTMP-JOCHJYFZSA-N 0 3 456.610 3.414 20 0 JGADHN CC(C)Cc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CCc1cccc(C(=O)N(C)C)c1 ZINC001302899302 1067481618 /nfs/dbraw/zinc/48/16/18/1067481618.db2.gz HDKOWSKQNFJNRX-VWLOTQADSA-N 0 3 495.716 3.026 20 0 JGADHN CC(C)Cc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001302900381 1067482957 /nfs/dbraw/zinc/48/29/57/1067482957.db2.gz VHXZDLYNFPFKKA-JOCHJYFZSA-N 0 3 491.725 3.338 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(C(C)(C)C)CC3)n2CC(=O)NCc2ccco2)cc1C ZINC001304416361 1067488227 /nfs/dbraw/zinc/48/82/27/1067488227.db2.gz YTUMQRVKMVRVAV-UHFFFAOYSA-N 0 3 480.613 3.304 20 0 JGADHN C[C@@H]1CN(CCN(C)c2nnc(Cc3cccnc3)n2C[C@H](c2cccs2)N(C)C)C[C@H](C)O1 ZINC001302908868 1067493565 /nfs/dbraw/zinc/49/35/65/1067493565.db2.gz MFOCQCHVKZEYCZ-RZUBCFFCSA-N 0 3 483.686 3.174 20 0 JGADHN CC(C)Cc1nnc(N2CCC[C@@H](N3CCCC3=O)C2)n1CCN(C)Cc1ccc(F)cc1 ZINC001302922211 1067502467 /nfs/dbraw/zinc/50/24/67/1067502467.db2.gz BGFFRYNIELZJOJ-JOCHJYFZSA-N 0 3 456.610 3.339 20 0 JGADHN CC(C)Cc1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 ZINC001302932008 1067507580 /nfs/dbraw/zinc/50/75/80/1067507580.db2.gz ROZHJANNWDCHRN-SXWKCWPCSA-N 0 3 453.697 3.391 20 0 JGADHN FC(F)(F)CSCCn1c(-c2ccccc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001302941114 1067515179 /nfs/dbraw/zinc/51/51/79/1067515179.db2.gz INNGTAGMDVDABS-KRWDZBQOSA-N 0 3 455.550 3.399 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1Cc1sccc1Br ZINC001302944785 1067517753 /nfs/dbraw/zinc/51/77/53/1067517753.db2.gz WTQKXLMMMNHECW-KRWDZBQOSA-N 0 3 495.491 3.092 20 0 JGADHN Cc1ccc(SCCn2c(N3CCN(C(=O)[C@H]4CCCN4C)CC3)nnc2C(C)(C)C)cc1 ZINC001304440320 1067520842 /nfs/dbraw/zinc/52/08/42/1067520842.db2.gz DDPWAHYCENCZSW-OAQYLSRUSA-N 0 3 470.687 3.419 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1Cc1cccc(Br)n1 ZINC001302955948 1067528110 /nfs/dbraw/zinc/52/81/10/1067528110.db2.gz CLGAZOLKFKUCKB-KRWDZBQOSA-N 0 3 477.451 3.372 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C[C@@H]3CCCO3)CC2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001302964803 1067534835 /nfs/dbraw/zinc/53/48/35/1067534835.db2.gz JLSKXIVTPMUHIS-XZOQPEGZSA-N 0 3 458.626 3.220 20 0 JGADHN CC(C)Cc1nnc(N2CCN(CC3CCOCC3)CC2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001302964926 1067534854 /nfs/dbraw/zinc/53/48/54/1067534854.db2.gz KFYJIRYMWKZTOC-UHFFFAOYSA-N 0 3 466.552 3.487 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1Cc1cccc(C(F)(F)F)n1 ZINC001302965093 1067535410 /nfs/dbraw/zinc/53/54/10/1067535410.db2.gz PKZCVEITYTVIJY-QGZVFWFLSA-N 0 3 452.525 3.097 20 0 JGADHN CC(C)Cc1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001302971674 1067539677 /nfs/dbraw/zinc/53/96/77/1067539677.db2.gz GMWAJCAJGNRMAW-CJFMBICVSA-N 0 3 462.683 3.061 20 0 JGADHN Cc1cccc(-c2nnc(N(CCS(C)(=O)=O)C3CC3)n2CC(C)(C)N2CCC[C@H](C)C2)n1 ZINC001304463096 1067541399 /nfs/dbraw/zinc/54/13/99/1067541399.db2.gz FVRCPGWFBFJLBZ-SFHVURJKSA-N 0 3 474.675 3.172 20 0 JGADHN CC(C)Cc1nnc(N2CCO[C@@H](COC(C)C)C2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001302977109 1067543079 /nfs/dbraw/zinc/54/30/79/1067543079.db2.gz RJZRMRRZZBKQBB-JWQCQUIFSA-N 0 3 485.673 3.398 20 0 JGADHN Cc1cccc(OCc2nnc(N(C)CC3CC(F)C3)n2CCN2CCN(C)C(C)(C)C2)c1 ZINC001304502341 1067576670 /nfs/dbraw/zinc/57/66/70/1067576670.db2.gz PKIODRZOLJHIAW-UHFFFAOYSA-N 0 3 458.626 3.376 20 0 JGADHN Cc1cccc(OCc2nnc(N3CCN(C4CCC(C)CC4)CC3)n2CC(=O)NC(C)C)c1 ZINC001304511410 1067586772 /nfs/dbraw/zinc/58/67/72/1067586772.db2.gz BOLDXXMAZIZPMI-UHFFFAOYSA-N 0 3 468.646 3.391 20 0 JGADHN Cc1ccccc1-c1nnc(N2CCC(C(=O)NCC(F)(F)F)CC2)n1CCN1CC=CCC1 ZINC001304529017 1067601076 /nfs/dbraw/zinc/60/10/76/1067601076.db2.gz QRDGHUDNQYWTMC-UHFFFAOYSA-N 0 3 476.547 3.410 20 0 JGADHN Cc1ccccc1-c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1C[C@@H](c1ccsc1)N(C)C ZINC001304532265 1067603721 /nfs/dbraw/zinc/60/37/21/1067603721.db2.gz NQEFCTAQYHQVRW-NRFANRHFSA-N 0 3 488.683 3.136 20 0 JGADHN Cc1ccccc1-c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H](N1CCOCC1)C(F)(F)F ZINC001304537368 1067608772 /nfs/dbraw/zinc/60/87/72/1067608772.db2.gz OYQHRPZVRZWAHS-FQEVSTJZSA-N 0 3 480.579 3.437 20 0 JGADHN Cc1ccccc1Cc1nnc(N(C)CCS(C)(=O)=O)n1C[C@H]1CCCN(CC(C)C)C1 ZINC001304549095 1067618127 /nfs/dbraw/zinc/61/81/27/1067618127.db2.gz DCPDZDOANHRDIP-NRFANRHFSA-N 0 3 461.676 3.026 20 0 JGADHN O=C(NCc1ccc(Cl)cc1)c1nnc(N2CCN(C3CCCC3)CC2)n1CCCCCO ZINC001303087504 1067621090 /nfs/dbraw/zinc/62/10/90/1067621090.db2.gz GSUCWQLJYPGQFC-UHFFFAOYSA-N 0 3 475.037 3.089 20 0 JGADHN CC(C)CCOc1ccc(-c2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CC2(N(C)C)CCC2)cc1 ZINC001303095954 1067632097 /nfs/dbraw/zinc/63/20/97/1067632097.db2.gz QXIDGNIIFQSJDU-JOCHJYFZSA-N 0 3 489.686 3.478 20 0 JGADHN CC1=CCN(c2nnc(CCc3ccccc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001304596039 1067660191 /nfs/dbraw/zinc/66/01/91/1067660191.db2.gz HHYFXWFTCKNEJL-HSZRJFAPSA-N 0 3 450.631 3.162 20 0 JGADHN CC1=CCN(c2nnc(COc3ccc(F)cc3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001304599108 1067662553 /nfs/dbraw/zinc/66/25/53/1067662553.db2.gz OQMYSIBUJOWRPX-QFIPXVFZSA-N 0 3 470.593 3.095 20 0 JGADHN CC(C)(C)OC(=O)N1CCCC2(CN(C(=O)CCCN3CCN(c4ccccc4)CC3)C2)C1 ZINC001303142676 1067681408 /nfs/dbraw/zinc/68/14/08/1067681408.db2.gz STEMWQMAEXNAMB-UHFFFAOYSA-N 0 3 456.631 3.448 20 0 JGADHN OCCCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001303158668 1067694387 /nfs/dbraw/zinc/69/43/87/1067694387.db2.gz ZUDKADFFZTXOMQ-UHFFFAOYSA-N 0 3 480.078 3.263 20 0 JGADHN CC(C)CN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cc(C(C)(C)C)no2)CC1 ZINC001303177312 1067710153 /nfs/dbraw/zinc/71/01/53/1067710153.db2.gz BQVFTFCUBAGIDY-UHFFFAOYSA-N 0 3 466.590 3.037 20 0 JGADHN CC(C)CN1CCC[C@@H](Cn2c(CC(C)(C)C)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001303177719 1067710596 /nfs/dbraw/zinc/71/05/96/1067710596.db2.gz HUAFKOPUBGKPQN-LJQANCHMSA-N 0 3 453.697 3.248 20 0 JGADHN CC(C)CN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)N(C)c2ccccc2)CC1 ZINC001303178801 1067712311 /nfs/dbraw/zinc/71/23/11/1067712311.db2.gz WFPBYVPDTGUBBT-NRFANRHFSA-N 0 3 476.629 3.228 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CC[C@H](F)C2)CC1 ZINC001303183633 1067716453 /nfs/dbraw/zinc/71/64/53/1067716453.db2.gz FRVHXIOYYZOVSS-ICSRJNTNSA-N 0 3 463.623 3.265 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC(=O)N2CCCCC2)CC1 ZINC001303184419 1067717701 /nfs/dbraw/zinc/71/77/01/1067717701.db2.gz MBRVLQSGJMTAJA-UHFFFAOYSA-N 0 3 492.466 3.216 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccccc3Br)n2CC2(O)CCOCC2)CC1 ZINC001303185450 1067720632 /nfs/dbraw/zinc/72/06/32/1067720632.db2.gz CYHZCXZAGOPZIL-UHFFFAOYSA-N 0 3 478.435 3.027 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@]2(O)CCO[C@H]2C)CC1 ZINC001303185875 1067721298 /nfs/dbraw/zinc/72/12/98/1067721298.db2.gz PCQCRDZNMPEHFR-AOMKIAJQSA-N 0 3 496.425 3.165 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCNC(=O)C(C)(C)C)CC1 ZINC001303190555 1067725000 /nfs/dbraw/zinc/72/50/00/1067725000.db2.gz ZEJJXOHQIDRGPA-UHFFFAOYSA-N 0 3 451.619 3.367 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccccc2C(F)(F)F)CC1 ZINC001303191158 1067725432 /nfs/dbraw/zinc/72/54/32/1067725432.db2.gz UYIHXOJAAXSWRQ-LJQANCHMSA-N 0 3 464.536 3.269 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccc(F)cc2)N(C)C)[C@H](C)C1=O ZINC001303191539 1067725808 /nfs/dbraw/zinc/72/58/08/1067725808.db2.gz CQQVOGAITMNPAS-KJXAQDMKSA-N 0 3 486.636 3.307 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@H]3CCCOC3)n2CCOc2cccc(C(F)(F)F)n2)CC1 ZINC001303191774 1067726093 /nfs/dbraw/zinc/72/60/93/1067726093.db2.gz HUXRWEFMABMAIE-SFHVURJKSA-N 0 3 482.551 3.443 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@@H]3CCOC3)n2CCNc2ncc(Cl)cc2Cl)CC1 ZINC001303192255 1067726752 /nfs/dbraw/zinc/72/67/52/1067726752.db2.gz PXCHSDDBRXNOKG-MRXNPFEDSA-N 0 3 468.433 3.374 20 0 JGADHN CC(C)CN1CCN(c2nnc(CC3CC3)n2C[C@@H](c2ccc(F)cc2)N(C)C)[C@H](C)C1=O ZINC001303195982 1067729051 /nfs/dbraw/zinc/72/90/51/1067729051.db2.gz MIVJLPOOZTWMHP-GCJKJVERSA-N 0 3 456.610 3.366 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C[C@@H]2C[C@@H]2C)CC1 ZINC001303195909 1067729157 /nfs/dbraw/zinc/72/91/57/1067729157.db2.gz FLIDBJFJVUYSAO-UFYCRDLUSA-N 0 3 462.639 3.021 20 0 JGADHN CC(C)CN1CCN(c2nnc(CC3CC3)n2C[C@H](c2ccc(F)cc2)N(C)C)[C@H](C)C1=O ZINC001303195984 1067729557 /nfs/dbraw/zinc/72/95/57/1067729557.db2.gz MIVJLPOOZTWMHP-XMSQKQJNSA-N 0 3 456.610 3.366 20 0 JGADHN CC(C)CN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCN2CCOC2=O)CC1 ZINC001303198685 1067734155 /nfs/dbraw/zinc/73/41/55/1067734155.db2.gz IGDUAVSBSAITDT-UHFFFAOYSA-N 0 3 477.009 3.131 20 0 JGADHN CC(C)CN1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C(C)C)N2CCOCC2)CC1 ZINC001303198632 1067734173 /nfs/dbraw/zinc/73/41/73/1067734173.db2.gz HJZWNWZQLWGUEH-HSZRJFAPSA-N 0 3 488.652 3.131 20 0 JGADHN CC(C)CN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 ZINC001303199187 1067735362 /nfs/dbraw/zinc/73/53/62/1067735362.db2.gz XPNAFBACWOQMCC-KNQAVFIVSA-N 0 3 474.675 3.109 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN2CCCCC2=O)CC1 ZINC001303201929 1067738478 /nfs/dbraw/zinc/73/84/78/1067738478.db2.gz SDDIUVPXTRORDH-FYYLOGMGSA-N 0 3 474.694 3.377 20 0 JGADHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 ZINC001303273181 1067801892 /nfs/dbraw/zinc/80/18/92/1067801892.db2.gz IDBQNHGEBMCLKG-JKSUJKDBSA-N 0 3 458.282 3.357 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CCCN2CCC[C@H]2C(=O)N(C)C)n1 ZINC001304739700 1067813728 /nfs/dbraw/zinc/81/37/28/1067813728.db2.gz JSNNZINODKMFTR-PMOQBDJRSA-N 0 3 484.693 3.097 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@@H](C)C3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)n1 ZINC001304739702 1067814164 /nfs/dbraw/zinc/81/41/64/1067814164.db2.gz JSNNZINODKMFTR-UEVCKROQSA-N 0 3 484.693 3.097 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N(C)CC(=O)NC(C)(C)C)n2C[C@@H](c2cccs2)N2CCCC2)n1 ZINC001304741673 1067818416 /nfs/dbraw/zinc/81/84/16/1067818416.db2.gz ZJTHBNSCAXLAJV-FQEVSTJZSA-N 0 3 498.701 3.389 20 0 JGADHN CC(C)N(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl)C(C)C ZINC001303296983 1067821100 /nfs/dbraw/zinc/82/11/00/1067821100.db2.gz NRWCLLRZUBXINF-HLIPFELVSA-N 0 3 492.517 3.319 20 0 JGADHN CC(C)N(CCn1c(COc2ccccc2F)nnc1N1CCC(S(C)(=O)=O)CC1)C(C)C ZINC001303297044 1067821243 /nfs/dbraw/zinc/82/12/43/1067821243.db2.gz GWJRCLJVERCZPE-UHFFFAOYSA-N 0 3 481.638 3.128 20 0 JGADHN CC(C)N1CCC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccc(F)c(F)c2)C1 ZINC001303304295 1067831011 /nfs/dbraw/zinc/83/10/11/1067831011.db2.gz NCGYNCQEWZRRRJ-MOPGFXCFSA-N 0 3 481.613 3.215 20 0 JGADHN CC(C)N1CCC[C@@H](Cn2c(Cc3ccsc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)C1 ZINC001303304640 1067832253 /nfs/dbraw/zinc/83/22/53/1067832253.db2.gz IXEHKJNMMZLFOC-UXHICEINSA-N 0 3 465.689 3.064 20 0 JGADHN CC(C)N1CCN(c2nnc(-c3cccn3C)n2C[C@@H](c2c(F)cccc2F)N(C)C)CC1 ZINC001303311819 1067841002 /nfs/dbraw/zinc/84/10/02/1067841002.db2.gz NOCJETINFRWVPJ-NRFANRHFSA-N 0 3 457.573 3.395 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N3CCCO[C@H](C)C3)n2C[C@H](c2cccc(F)c2)N(C)C)n1 ZINC001304757991 1067841855 /nfs/dbraw/zinc/84/18/55/1067841855.db2.gz BREIOKAWXQBPOM-DENIHFKCSA-N 0 3 455.582 3.197 20 0 JGADHN CC(C)N1CCN([C@@H]2CCN(c3nnc(-c4ccccc4)n3CCOCC(F)(F)C(F)F)C2)CC1 ZINC001303317049 1067845417 /nfs/dbraw/zinc/84/54/17/1067845417.db2.gz OFXDNOPDRPSIEC-HXUWFJFHSA-N 0 3 498.569 3.467 20 0 JGADHN CC(C)N1CCN([C@H]2CCN(c3nnc(C(C)(C)C)n3CCCNc3ccccn3)C2)CC1 ZINC001303317512 1067846494 /nfs/dbraw/zinc/84/64/94/1067846494.db2.gz XYVXQDZMRVFGDY-NRFANRHFSA-N 0 3 454.667 3.078 20 0 JGADHN CC(C)N1CCN([C@@H]2CCN(c3nnc(Cc4ccsc4)n3CCCOC(F)(F)F)C2)CC1 ZINC001303318049 1067848156 /nfs/dbraw/zinc/84/81/56/1067848156.db2.gz HZAKWARSUUZUPU-LJQANCHMSA-N 0 3 486.608 3.462 20 0 JGADHN CC(C)N1CCN([C@H]2CCN(c3nnc(CC4CC4)n3C[C@@H](C)N(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001303318219 1067848676 /nfs/dbraw/zinc/84/86/76/1067848676.db2.gz LJJUEOIJWVSHTI-IRLDBZIGSA-N 0 3 489.709 3.091 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N3CCN(C4CCOCC4)C[C@@H]3C)n2CCSCC(C)C)n1 ZINC001304761732 1067848798 /nfs/dbraw/zinc/84/87/98/1067848798.db2.gz YXQFIDRTJQXORB-NRFANRHFSA-N 0 3 475.707 3.218 20 0 JGADHN CC(C)N1CCN([C@H]2CCN(c3nnc([C@H]4CCCOC4)n3CC(C)(C)C(F)(F)F)C2)CC1 ZINC001303318570 1067850185 /nfs/dbraw/zinc/85/01/85/1067850185.db2.gz VANSLBWHDZVGNB-OALUTQOASA-N 0 3 472.600 3.365 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2C[C@@H](c2ccc(F)cc2)N(C)C)n1 ZINC001304764894 1067854195 /nfs/dbraw/zinc/85/41/95/1067854195.db2.gz PAAWKPUZUDWAOR-JQVVWYNYSA-N 0 3 455.582 3.195 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N3CCN(CCC(C)(C)C)CC3)n2Cc2cccc(O)c2)n1 ZINC001304764888 1067854274 /nfs/dbraw/zinc/85/42/74/1067854274.db2.gz SXZLMZGJXKTDKX-UHFFFAOYSA-N 0 3 451.619 3.452 20 0 JGADHN CC(C)NC(=O)c1nnc(N(C)C2CCN(Cc3ccccc3)CC2)n1C[C@@](C)(O)c1ccco1 ZINC001303328327 1067856454 /nfs/dbraw/zinc/85/64/54/1067856454.db2.gz OUESIJXCQNYJCY-AREMUKBSSA-N 0 3 480.613 3.018 20 0 JGADHN CC(C)NC(=O)c1nnc(N(C)CCC2CCOCC2)n1C[C@H]1CCCN1Cc1ccccc1 ZINC001303341146 1067870189 /nfs/dbraw/zinc/87/01/89/1067870189.db2.gz SEVHOPUKLUDSPZ-HSZRJFAPSA-N 0 3 468.646 3.334 20 0 JGADHN Cc1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1CCOc1ccc(F)c(Cl)c1 ZINC001304789375 1067882411 /nfs/dbraw/zinc/88/24/11/1067882411.db2.gz QZDYAWDASBSSTJ-UHFFFAOYSA-N 0 3 461.973 3.255 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCc3ccc(Cl)nc3C2)n1C[C@H]1N(C)CCCC1(C)C ZINC001303377432 1067907578 /nfs/dbraw/zinc/90/75/78/1067907578.db2.gz FIUOYHGQNGCANF-GOSISDBHSA-N 0 3 460.026 3.148 20 0 JGADHN Cc1noc([C@H](C)N2CCN(c3nnc(C(C)C)n3C[C@H](c3cccc(F)c3)N(C)C)CC2)n1 ZINC001304872300 1067914513 /nfs/dbraw/zinc/91/45/13/1067914513.db2.gz JZIGVIMYMONJHR-LAUBAEHRSA-N 0 3 470.597 3.418 20 0 JGADHN Cc1noc(C)c1[C@@H](C)Cn1c(CC(C)C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001304880859 1067925593 /nfs/dbraw/zinc/92/55/93/1067925593.db2.gz ZNDUVOOYXMGODL-UGKGYDQZSA-N 0 3 457.667 3.490 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCN(CC3CCCCC3)CC2)n1CCc1ccc(O)cc1 ZINC001303410100 1067936640 /nfs/dbraw/zinc/93/66/40/1067936640.db2.gz OTYIUQWWEQLESH-UHFFFAOYSA-N 0 3 454.619 3.067 20 0 JGADHN CC(C)NC(=O)c1nnc(N2C[C@@H](C)[C@H](C(F)(F)F)C2)n1CC1(N2CCSCC2)CCCC1 ZINC001303419215 1067945523 /nfs/dbraw/zinc/94/55/23/1067945523.db2.gz DOACIWDEIOFVLB-IAGOWNOFSA-N 0 3 488.624 3.413 20 0 JGADHN C[C@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001304907567 1067950992 /nfs/dbraw/zinc/95/09/92/1067950992.db2.gz RJNCPUKRRGDATG-KVJIRVJXSA-N 0 3 486.636 3.306 20 0 JGADHN CC(C)NC(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C2CCCC2)CC1 ZINC001303432447 1067956691 /nfs/dbraw/zinc/95/66/91/1067956691.db2.gz LLARZVQUZJOVNQ-UHFFFAOYSA-N 0 3 475.037 3.490 20 0 JGADHN C[C@@H]1C[C@H](C)CN(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2C[C@@H](C)CC(C)(C)C2)C1 ZINC001304928105 1067975217 /nfs/dbraw/zinc/97/52/17/1067975217.db2.gz MHGXMBKJLLGISK-JSXRDJHFSA-N 0 3 465.708 3.421 20 0 JGADHN C[C@H]1C[C@H](Cn2c(CC(C)(C)C)nnc2N(C)C2CCN(CCn3cccn3)CC2)CCO1 ZINC001304939621 1067988782 /nfs/dbraw/zinc/98/87/82/1067988782.db2.gz AICLKAHHVWPVJK-LEWJYISDSA-N 0 3 457.667 3.479 20 0 JGADHN CC(C)O[C@@]1(c2nnc(N(C)Cc3cnn(C)c3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CCOC1 ZINC001303482449 1068004518 /nfs/dbraw/zinc/00/45/18/1068004518.db2.gz ZQFWDJMBHNJOTD-DHLKQENFSA-N 0 3 485.608 3.131 20 0 JGADHN CC1CCC(N(C)c2nnc([C@@H]3CCCCO3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001304973968 1068013988 /nfs/dbraw/zinc/01/39/88/1068013988.db2.gz DDKJRZYLASVINV-XABBQPORSA-N 0 3 460.667 3.477 20 0 JGADHN CC(C)N1CCC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C2CCC(C)CC2)C1 ZINC001304974627 1068014254 /nfs/dbraw/zinc/01/42/54/1068014254.db2.gz KIGQXEROHQBRAZ-YZDRJCRTSA-N 0 3 451.681 3.316 20 0 JGADHN COc1cc(/C=C\C(=O)NC[C@@H]2CCCC[C@@H]2N2CCOCC2)cc(Br)c1O ZINC001303496383 1068022796 /nfs/dbraw/zinc/02/27/96/1068022796.db2.gz WSAUPTSBZMCMKE-KINGKOSLSA-N 0 3 453.377 3.184 20 0 JGADHN C[C@@H]1CCC[C@@](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(OC(C)(C)C)CC2)(N(C)C)C1 ZINC001304989853 1068032084 /nfs/dbraw/zinc/03/20/84/1068032084.db2.gz SGZSYJVTEVQAFE-UMEGOILYSA-N 0 3 495.734 3.475 20 0 JGADHN C[C@@H]1CCC[C@](Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@H](S(C)(=O)=O)C2)(N(C)C)C1 ZINC001304990344 1068032410 /nfs/dbraw/zinc/03/24/10/1068032410.db2.gz ULQAILWWNOIZTB-YTZAWJCFSA-N 0 3 495.640 3.281 20 0 JGADHN CC(C)O[C@@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@H]2CCCSC2)CCOC1 ZINC001303504624 1068037067 /nfs/dbraw/zinc/03/70/67/1068037067.db2.gz XAFSLGLMNSKXJA-XXBNENTESA-N 0 3 451.681 3.382 20 0 JGADHN C[C@H]1CCCCN1CCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001305015012 1068056549 /nfs/dbraw/zinc/05/65/49/1068056549.db2.gz JDXVVPVHPQGRRK-UGKGYDQZSA-N 0 3 477.650 3.286 20 0 JGADHN C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCN1CCCC[C@H]1C ZINC001305015842 1068059141 /nfs/dbraw/zinc/05/91/41/1068059141.db2.gz FZCJINCMUCHWCJ-WOJBJXKFSA-N 0 3 499.685 3.469 20 0 JGADHN CC(C)OC[C@@H]1CN(c2nnc(C(C)(C)C)n2C[C@@H]2CN(Cc3ccccc3)CCCO2)CCO1 ZINC001303531960 1068061198 /nfs/dbraw/zinc/06/11/98/1068061198.db2.gz UVPIBOZXKZWJCP-ZEQRLZLVSA-N 0 3 485.673 3.497 20 0 JGADHN C[C@H]1CCCN(C(C)(C)Cn2c(Cc3ccsc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001305019895 1068066799 /nfs/dbraw/zinc/06/67/99/1068066799.db2.gz OBDGFIHWHSYGHW-HKUYNNGSSA-N 0 3 465.689 3.064 20 0 JGADHN CC(C)OCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001303546035 1068073596 /nfs/dbraw/zinc/07/35/96/1068073596.db2.gz IQCUTVQVRAMHEY-GOSISDBHSA-N 0 3 495.466 3.020 20 0 JGADHN CC(C)c1nnc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305023740 1068077534 /nfs/dbraw/zinc/07/75/34/1068077534.db2.gz IWOVXKXSUFJGPL-UXHICEINSA-N 0 3 454.619 3.190 20 0 JGADHN CC(C)c1nnc(N2CCN(C(=O)c3ccc([O-])cc3)CC2)n1C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001305023740 1068077549 /nfs/dbraw/zinc/07/75/49/1068077549.db2.gz IWOVXKXSUFJGPL-UXHICEINSA-N 0 3 454.619 3.190 20 0 JGADHN CC(C)OCCCn1c(Cc2ccsc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001303552705 1068078212 /nfs/dbraw/zinc/07/82/12/1068078212.db2.gz WFGZRUPLVWTMHY-QFIPXVFZSA-N 0 3 460.692 3.350 20 0 JGADHN CC(C)OCCn1c(-c2ccccc2Br)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001303560388 1068084722 /nfs/dbraw/zinc/08/47/22/1068084722.db2.gz FIIGXLWAAMVRHQ-SFHVURJKSA-N 0 3 478.435 3.291 20 0 JGADHN CC(C)NC(=O)c1nnc(N2Cc3ccc(Br)cc3C2)n1CCN1CCC[C@H](C)C1 ZINC001305043598 1068099538 /nfs/dbraw/zinc/09/95/38/1068099538.db2.gz REYIPIOXWAKAIR-INIZCTEOSA-N 0 3 475.435 3.431 20 0 JGADHN CC(C)NC(=O)c1nnc(N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)n1CCN1CCC[C@@H](C)C1 ZINC001305044259 1068100810 /nfs/dbraw/zinc/10/08/10/1068100810.db2.gz YRKSHPUXYGAPEL-FRYUTEBBSA-N 0 3 474.675 3.083 20 0 JGADHN C[C@H](c1ccc(F)c(F)c1)N(C)c1nnc(-c2cnccn2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001303593768 1068114133 /nfs/dbraw/zinc/11/41/33/1068114133.db2.gz MFHYDFOXKNXCHA-VGOFRKELSA-N 0 3 498.582 3.153 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCc3c(F)cc(F)cc3C2)n1C[C@@H](C)N1CCC(C)CC1 ZINC001305062630 1068130587 /nfs/dbraw/zinc/13/05/87/1068130587.db2.gz DCAVOUNLJQXLBP-QGZVFWFLSA-N 0 3 460.573 3.378 20 0 JGADHN C[C@H](c1ccco1)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C1CCCCC1)N(C)C ZINC001303622135 1068153673 /nfs/dbraw/zinc/15/36/73/1068153673.db2.gz QKPUQBDAXQETNU-YZGWKJHDSA-N 0 3 463.648 3.481 20 0 JGADHN C[C@H]1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001305105400 1068173211 /nfs/dbraw/zinc/17/32/11/1068173211.db2.gz FBLAKITYFMCFDA-GHTZIAJQSA-N 0 3 475.037 3.299 20 0 JGADHN C[C@H](CC(N)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](c1cccs1)N(C)C ZINC001303648102 1068176192 /nfs/dbraw/zinc/17/61/92/1068176192.db2.gz GUWNMFPTDVEMKK-YLJYHZDGSA-N 0 3 478.626 3.195 20 0 JGADHN C[C@@H]1CCN(c2nnc(COc3ccccc3F)n2CCCN2CCC[C@H]2C(=O)N(C)C)[C@H]1C ZINC001305107575 1068176345 /nfs/dbraw/zinc/17/63/45/1068176345.db2.gz JRAYLTMAITVVKZ-DYXWJJEUSA-N 0 3 472.609 3.174 20 0 JGADHN C[C@@H]1CN(C(C)(C)Cn2c(N3CCC[C@@H](CN4CCOCC4)C3)nnc2C(C)(C)C)C[C@@H](C)O1 ZINC001305112214 1068186058 /nfs/dbraw/zinc/18/60/58/1068186058.db2.gz KHSIHIKOMMXHPV-VSKRKVRLSA-N 0 3 476.710 3.012 20 0 JGADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1CC[C@H](C)c1ccccc1 ZINC001303662999 1068194066 /nfs/dbraw/zinc/19/40/66/1068194066.db2.gz JUAYGMJUPMUGLM-RBUKOAKNSA-N 0 3 462.664 3.003 20 0 JGADHN C[C@@H](CCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](S(C)(=O)=O)C1)N1CCCCC1 ZINC001303667090 1068201564 /nfs/dbraw/zinc/20/15/64/1068201564.db2.gz FYJQOOAADLHMAF-FPOVZHCZSA-N 0 3 477.650 3.286 20 0 JGADHN C[C@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001305120725 1068202658 /nfs/dbraw/zinc/20/26/58/1068202658.db2.gz GBCAFRQQQPRVDJ-UOAUAQBLSA-N 0 3 486.636 3.306 20 0 JGADHN C[C@H](CCn1c([C@H]2CCCO2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)N(C)Cc1ccccc1 ZINC001303668006 1068202962 /nfs/dbraw/zinc/20/29/62/1068202962.db2.gz WQSWRWSCDNVFOR-AKIFATBCSA-N 0 3 489.686 3.444 20 0 JGADHN C[C@@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1F)N1CCCCC1 ZINC001303668791 1068203365 /nfs/dbraw/zinc/20/33/65/1068203365.db2.gz PWSDVBFHPFPJOE-ICSRJNTNSA-N 0 3 463.623 3.220 20 0 JGADHN CC(C)N1CCN([C@@H]2CCN(c3nnc(C4CC4)n3C[C@@H](C)CN(C)C(=O)OC(C)(C)C)C2)CC1 ZINC001303671468 1068205405 /nfs/dbraw/zinc/20/54/05/1068205405.db2.gz BZEBKJFGRQVYMU-RBBKRZOGSA-N 0 3 489.709 3.263 20 0 JGADHN C[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1)N(C)C ZINC001303685860 1068224062 /nfs/dbraw/zinc/22/40/62/1068224062.db2.gz FALAAUYZFLEOIT-APWZRJJASA-N 0 3 469.977 3.107 20 0 JGADHN C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2cccc(Cl)c2)C1)N(C)C ZINC001303685862 1068224101 /nfs/dbraw/zinc/22/41/01/1068224101.db2.gz FALAAUYZFLEOIT-LPHOPBHVSA-N 0 3 469.977 3.107 20 0 JGADHN C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCC2)CC1)Sc1ccccc1 ZINC001303688885 1068228315 /nfs/dbraw/zinc/22/83/15/1068228315.db2.gz PQKGJGDAHNDGMS-MOPGFXCFSA-N 0 3 492.715 3.134 20 0 JGADHN C[C@@H](Cn1c(-c2ccccc2)nnc1N1CCN(C[C@H]2CCOC2)CC1)N(C)C(=O)OC(C)(C)C ZINC001303698686 1068241530 /nfs/dbraw/zinc/24/15/30/1068241530.db2.gz FDAKIHSMZNNVFC-LEWJYISDSA-N 0 3 484.645 3.359 20 0 JGADHN C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCN(C)C2CCCC2)CC(C)(C)O1 ZINC001305144258 1068243874 /nfs/dbraw/zinc/24/38/74/1068243874.db2.gz OCUAMUKSUOQGLQ-GOSISDBHSA-N 0 3 475.659 3.227 20 0 JGADHN CC(C)[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS[C@@H](C)C1)N1CCCC1 ZINC001305144662 1068244996 /nfs/dbraw/zinc/24/49/96/1068244996.db2.gz RAOFSFDNYHYACF-RXVVDRJESA-N 0 3 477.700 3.411 20 0 JGADHN C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2cccs2)N(C)C)CCN1CC(F)(F)F ZINC001305165160 1068275438 /nfs/dbraw/zinc/27/54/38/1068275438.db2.gz YOQZFSGQRBHBLF-NVXWUHKLSA-N 0 3 482.580 3.116 20 0 JGADHN C[C@@H](CC(N)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)N1CCc2ccccc2C1 ZINC001303744977 1068305291 /nfs/dbraw/zinc/30/52/91/1068305291.db2.gz VRCBGYKNKJEANE-PKWOTWBQSA-N 0 3 482.673 3.344 20 0 JGADHN C[C@H](CN1CCCC1)Cn1c(Cc2ccc(F)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001303746798 1068307913 /nfs/dbraw/zinc/30/79/13/1068307913.db2.gz WIUDWNAFCYEONP-KNQAVFIVSA-N 0 3 477.650 3.143 20 0 JGADHN C[C@H](CN1CCCC1)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001303750862 1068311014 /nfs/dbraw/zinc/31/10/14/1068311014.db2.gz CPKHVFSQOQQFCX-CIAFKFPVSA-N 0 3 495.734 3.332 20 0 JGADHN C[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)CS(C)(=O)=O)CN1CCCCC1 ZINC001303753614 1068315519 /nfs/dbraw/zinc/31/55/19/1068315519.db2.gz CWFQOWOVIYUUNB-XRXFAXGQSA-N 0 3 483.723 3.188 20 0 JGADHN C[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](S(C)(=O)=O)C1)CN1CCCCC1 ZINC001303754548 1068317257 /nfs/dbraw/zinc/31/72/57/1068317257.db2.gz INCYMPOQOWYLBK-FNAHDJPLSA-N 0 3 495.734 3.332 20 0 JGADHN C[C@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](c2cccc(F)c2)N(C)C)CC(=O)N1C ZINC001305218040 1068354620 /nfs/dbraw/zinc/35/46/20/1068354620.db2.gz VHWSPJNGYUUYCT-XKPYVIEYSA-N 0 3 486.636 3.306 20 0 JGADHN CC(C)N1CCN(c2nnc(CCc3ccccc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001305224602 1068366751 /nfs/dbraw/zinc/36/67/51/1068366751.db2.gz YBOZSJPOXWZRLP-GOTSBHOMSA-N 0 3 454.663 3.093 20 0 JGADHN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)CCN1CCN(c2cccc(Cl)c2)CC1 ZINC001303786107 1068366692 /nfs/dbraw/zinc/36/66/92/1068366692.db2.gz KDUSMEOBUUTWNU-RTBURBONSA-N 0 3 465.038 3.471 20 0 JGADHN C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC001303790465 1068374598 /nfs/dbraw/zinc/37/45/98/1068374598.db2.gz GEVYRQRCIACMBR-QGZVFWFLSA-N 0 3 454.527 3.372 20 0 JGADHN C[C@H](N1CCN(c2nnc(Cc3ccsc3)n2CCN2CC=CCC2)CC1)C(F)(F)F ZINC001303792084 1068375624 /nfs/dbraw/zinc/37/56/24/1068375624.db2.gz CLPPDUVPOHLMKM-KRWDZBQOSA-N 0 3 454.566 3.265 20 0 JGADHN C[C@@H]1COCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C1CCCCC1)N(C)C ZINC001305231546 1068377382 /nfs/dbraw/zinc/37/73/82/1068377382.db2.gz WMYGUIVGCFERSI-XMSQKQJNSA-N 0 3 475.659 3.084 20 0 JGADHN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCN2CC=CCC2)C1 ZINC001303799087 1068391655 /nfs/dbraw/zinc/39/16/55/1068391655.db2.gz RXRZKJUHLRDEJE-RTWAWAEBSA-N 0 3 481.645 3.265 20 0 JGADHN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc(-c3cnccn3)n2CCN2CC=CCC2)C1 ZINC001303801282 1068397096 /nfs/dbraw/zinc/39/70/96/1068397096.db2.gz VIOJSEOTOUWPAX-UXHICEINSA-N 0 3 482.633 3.127 20 0 JGADHN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)OC2CCCC2)n1C[C@@H](c1cccs1)N1CCCC1 ZINC001303820210 1068436215 /nfs/dbraw/zinc/43/62/15/1068436215.db2.gz LTOHAWOETJVSHO-AEFFLSMTSA-N 0 3 482.676 3.097 20 0 JGADHN CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@@H](c2cccc(OC)c2)N(C)C)C1 ZINC001305264172 1068440372 /nfs/dbraw/zinc/44/03/72/1068440372.db2.gz KORGTVNQLNOCSU-OFNKIYASSA-N 0 3 479.629 3.090 20 0 JGADHN CCC(=O)N[C@H]1CCCN(c2nnc(Cc3cccnc3)n2C[C@H](c2ccccc2)N(C)C)C1 ZINC001305268891 1068458716 /nfs/dbraw/zinc/45/87/16/1068458716.db2.gz PKFXVJNMTDQPBZ-XZOQPEGZSA-N 0 3 461.614 3.062 20 0 JGADHN CCC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2ccc(CC)cc2)N(C)C)C1 ZINC001305278121 1068480078 /nfs/dbraw/zinc/48/00/78/1068480078.db2.gz OHWZULCMLNXGKT-RJGXRXQPSA-N 0 3 468.646 3.490 20 0 JGADHN CCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001305288477 1068491460 /nfs/dbraw/zinc/49/14/60/1068491460.db2.gz OIKQZRBOWNFMLE-NRFANRHFSA-N 0 3 456.610 3.187 20 0 JGADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@H]1CCCC1(C)C ZINC001303865958 1068502872 /nfs/dbraw/zinc/50/28/72/1068502872.db2.gz WTXYDHWBPFGSFZ-RTBURBONSA-N 0 3 468.712 3.273 20 0 JGADHN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C(C)(C)C)CC2)n1CC1(O)CCOCC1 ZINC001303899933 1068542955 /nfs/dbraw/zinc/54/29/55/1068542955.db2.gz XGUCLEOKXQAAMN-SFHVURJKSA-N 0 3 461.582 3.019 20 0 JGADHN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CC(F)(F)F ZINC001303904263 1068548779 /nfs/dbraw/zinc/54/87/79/1068548779.db2.gz WAEIUBVOMAZFPH-JKSUJKDBSA-N 0 3 457.472 3.278 20 0 JGADHN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CCN1CCCCC1 ZINC001303906585 1068552810 /nfs/dbraw/zinc/55/28/10/1068552810.db2.gz KSLQATWNLUCBKU-ZWKOTPCHSA-N 0 3 461.010 3.224 20 0 JGADHN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCN(C(C)(C)C)CC2)n1CCC(=O)N(C)C ZINC001303912623 1068561552 /nfs/dbraw/zinc/56/15/52/1068561552.db2.gz QFQFCVJYGXICIP-QGZVFWFLSA-N 0 3 463.026 3.470 20 0 JGADHN CC[C@H](C)[C@@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001305334340 1068564704 /nfs/dbraw/zinc/56/47/04/1068564704.db2.gz LLBGSZWPGJHUOK-DFBJGRDBSA-N 0 3 459.683 3.495 20 0 JGADHN C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCCC1 ZINC001303916352 1068567969 /nfs/dbraw/zinc/56/79/69/1068567969.db2.gz GSQNOXRQNZBTGJ-OALUTQOASA-N 0 3 493.649 3.445 20 0 JGADHN C[C@@H](Oc1ccccc1F)c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCCC1 ZINC001303916351 1068567993 /nfs/dbraw/zinc/56/79/93/1068567993.db2.gz GSQNOXRQNZBTGJ-MOPGFXCFSA-N 0 3 493.649 3.445 20 0 JGADHN C[C@@H](Oc1ccccc1F)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCCC1 ZINC001303916354 1068568027 /nfs/dbraw/zinc/56/80/27/1068568027.db2.gz GSQNOXRQNZBTGJ-RTBURBONSA-N 0 3 493.649 3.445 20 0 JGADHN CC(C)N1CCC[C@@H](Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001303923077 1068575451 /nfs/dbraw/zinc/57/54/51/1068575451.db2.gz NXECPBMAILTNCD-RTBURBONSA-N 0 3 481.638 3.158 20 0 JGADHN CC(C)N1CCC[C@H](Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001303923075 1068575568 /nfs/dbraw/zinc/57/55/68/1068575568.db2.gz NXECPBMAILTNCD-OALUTQOASA-N 0 3 481.638 3.158 20 0 JGADHN C[C@H](Oc1ccccc1F)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001303925447 1068581470 /nfs/dbraw/zinc/58/14/70/1068581470.db2.gz ALURFYJGIYESKD-GBESFXJTSA-N 0 3 461.582 3.018 20 0 JGADHN CC[C@H](C)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1)OC ZINC001305351006 1068594793 /nfs/dbraw/zinc/59/47/93/1068594793.db2.gz SAFAEJJLJWRPLY-MWYJAUPDSA-N 0 3 486.661 3.287 20 0 JGADHN C[C@H](Oc1ccccc1F)c1nnc(N2CCS(=O)(=O)CC2)n1CCCN1CCCC[C@@H]1C ZINC001303938537 1068597332 /nfs/dbraw/zinc/59/73/32/1068597332.db2.gz TYDNZOGSWRGUKO-OALUTQOASA-N 0 3 479.622 3.057 20 0 JGADHN CC[C@H](C)c1nnc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)n1CC1(N2CCC(OC)CC2)CCCC1 ZINC001305365094 1068620578 /nfs/dbraw/zinc/62/05/78/1068620578.db2.gz YEGDRHOJCBZWAS-SLFFLAALSA-N 0 3 483.723 3.473 20 0 JGADHN CC[C@H](C)c1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1Cc1cccc(C(=O)N(C)C)c1 ZINC001305367471 1068622720 /nfs/dbraw/zinc/62/27/20/1068622720.db2.gz GCIWUEJGXGPRMK-NRFANRHFSA-N 0 3 492.672 3.339 20 0 JGADHN CC[C@H](C)c1nnc(N(C)Cc2cn(C)nc2C(F)(F)F)n1CCCN1CCN(CC)CC1 ZINC001305386003 1068634403 /nfs/dbraw/zinc/63/44/03/1068634403.db2.gz RNDYBTFKLOIOSJ-KRWDZBQOSA-N 0 3 470.588 3.208 20 0 JGADHN CC[C@H](C)c1nnc(N(C)C[C@H]2COc3ccccc3O2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001305390980 1068636069 /nfs/dbraw/zinc/63/60/69/1068636069.db2.gz GMRVWSKIGMNAFV-ACRUOGEOSA-N 0 3 456.635 3.094 20 0 JGADHN CC[C@H](C)c1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1Cc1cc(F)ccc1OC ZINC001305409228 1068648246 /nfs/dbraw/zinc/64/82/46/1068648246.db2.gz BFFFCPOHJIJZIL-SFYKDHMMSA-N 0 3 486.636 3.367 20 0 JGADHN CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)n1Cc1cc(F)ccc1OC ZINC001305409233 1068648742 /nfs/dbraw/zinc/64/87/42/1068648742.db2.gz BFFFCPOHJIJZIL-YYDVJCTNSA-N 0 3 486.636 3.367 20 0 JGADHN CC[C@H](C)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1C[C@H](c1cccc(OC)c1)N1CCCC1 ZINC001305410819 1068649340 /nfs/dbraw/zinc/64/93/40/1068649340.db2.gz OQZRCFMPSZXWAD-NNMXDRDESA-N 0 3 454.619 3.304 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305424698 1068660127 /nfs/dbraw/zinc/66/01/27/1068660127.db2.gz GHIKVYMYYAIFFU-OAQYLSRUSA-N 0 3 496.704 3.376 20 0 JGADHN CC[C@H](C)c1nnc(N2CC[C@](C)(N3CCOCC3)C2)n1C[C@@H](c1cccc(OC)c1)N(C)C ZINC001305429475 1068667819 /nfs/dbraw/zinc/66/78/19/1068667819.db2.gz MKNNHDISQCKIRC-CHZKFRDHSA-N 0 3 470.662 3.404 20 0 JGADHN CC[C@H](C)c1nnc(N2CC[C@@](C)(N3CCOCC3)C2)n1C[C@H](c1cccc(OC)c1)N(C)C ZINC001305429484 1068668471 /nfs/dbraw/zinc/66/84/71/1068668471.db2.gz MKNNHDISQCKIRC-VAPDBKPJSA-N 0 3 470.662 3.404 20 0 JGADHN CC[C@H](C)c1nnc(N2CC[C@@](O)(c3ccc(C)cc3)C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001305459416 1068701709 /nfs/dbraw/zinc/70/17/09/1068701709.db2.gz NSRPADLMDIEMTQ-VRUMLPLGSA-N 0 3 454.663 3.224 20 0 JGADHN CC[C@H](C)c1nnc(N2CCCN(C(=O)c3cccc(C)c3)CC2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001305501132 1068736009 /nfs/dbraw/zinc/73/60/09/1068736009.db2.gz NIGWCNYVWWDPPH-BJKOFHAPSA-N 0 3 495.716 3.479 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCSCc1ccccc1 ZINC001305512199 1068754724 /nfs/dbraw/zinc/75/47/24/1068754724.db2.gz CDODMJUSKSZCAV-OAQYLSRUSA-N 0 3 470.687 3.469 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1CCn1c(C)nc2ccccc21 ZINC001305513826 1068758412 /nfs/dbraw/zinc/75/84/12/1068758412.db2.gz LPWREIWCJFWNCI-HXUWFJFHSA-N 0 3 480.661 3.140 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1Cc1ccccc1Br ZINC001305515032 1068761930 /nfs/dbraw/zinc/76/19/30/1068761930.db2.gz RJFVVESVDOOEAS-PXNSSMCTSA-N 0 3 489.462 3.345 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(CC(C)C)CC2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001305537118 1068800239 /nfs/dbraw/zinc/80/02/39/1068800239.db2.gz IMFBOVRONPZGFR-UPVQGACJSA-N 0 3 454.663 3.471 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(CCOC)[C@@H](C)C2)n1CC1(CN2CCOCC2)CCCCC1 ZINC001305546021 1068824547 /nfs/dbraw/zinc/82/45/47/1068824547.db2.gz QEPWAFZSTMUSPV-PKTZIBPZSA-N 0 3 476.710 3.231 20 0 JGADHN CC[C@H](C)c1nnc(N2CCO[C@@H](c3cccc(OC)c3)C2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001305552282 1068830839 /nfs/dbraw/zinc/83/08/39/1068830839.db2.gz CFTSZQJCPKDGSX-AWRGLXIESA-N 0 3 470.662 3.404 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001305555289 1068832876 /nfs/dbraw/zinc/83/28/76/1068832876.db2.gz XWKDKYIHLCOBNV-IAGOWNOFSA-N 0 3 468.572 3.053 20 0 JGADHN CC[C@H](C)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001305581408 1068852384 /nfs/dbraw/zinc/85/23/84/1068852384.db2.gz XQLCVUWWCBISSP-OALUTQOASA-N 0 3 476.691 3.208 20 0 JGADHN CC[C@H](C)N(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC2(C1)CCOCC2 ZINC001305604373 1068870218 /nfs/dbraw/zinc/87/02/18/1068870218.db2.gz BJZRHIFPNDONEG-IBGZPJMESA-N 0 3 475.659 3.086 20 0 JGADHN CC[C@@H](C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1SC ZINC001305620908 1068906420 /nfs/dbraw/zinc/90/64/20/1068906420.db2.gz XSBFMKUASVHGTI-MJGOQNOKSA-N 0 3 465.689 3.269 20 0 JGADHN CC[C@@H](C)NC(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C2CCCC2)CC1 ZINC001305631838 1068937994 /nfs/dbraw/zinc/93/79/94/1068937994.db2.gz SBWBRWCVKBEVTE-LJQANCHMSA-N 0 3 454.619 3.323 20 0 JGADHN CC[C@H](C)NC(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001305640375 1068956259 /nfs/dbraw/zinc/95/62/59/1068956259.db2.gz PLVMFHDYMYQPDR-FQEVSTJZSA-N 0 3 455.651 3.127 20 0 JGADHN CC[C@@H](c1nnc(N2CCC[C@@H](OC)C2)n1C[C@H](C)N1CCN(CC)CC1)c1ccccc1 ZINC001305676582 1069030391 /nfs/dbraw/zinc/03/03/91/1069030391.db2.gz SSBQUNMAERYLAB-QPTUXGOLSA-N 0 3 454.663 3.461 20 0 JGADHN CC[C@H](c1nnc(N2CCN(CC3CCOCC3)CC2)n1CC(C)(C)C(=O)NC)c1ccccc1 ZINC001305678640 1069035724 /nfs/dbraw/zinc/03/57/24/1069035724.db2.gz UBWBOUZHHICXCZ-QHCPKHFHSA-N 0 3 482.673 3.141 20 0 JGADHN CCC(CC)(Cn1c(C2CCC2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1)OC ZINC001305692636 1069061267 /nfs/dbraw/zinc/06/12/67/1069061267.db2.gz IPQURZFGIWDSTR-UGKGYDQZSA-N 0 3 460.667 3.130 20 0 JGADHN CCC(CC)[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](C(=O)NC)C1)N1CCOCC1 ZINC001305704067 1069089697 /nfs/dbraw/zinc/08/96/97/1069089697.db2.gz JZVAQHMJCDTRGG-LADGPHEKSA-N 0 3 498.672 3.053 20 0 JGADHN CCC(CC)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)N(C)C ZINC001305707265 1069096958 /nfs/dbraw/zinc/09/69/58/1069096958.db2.gz DDODPWOQHWPWGY-WIYYLYMNSA-N 0 3 465.639 3.464 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N(C)[C@H]2CCC[C@@H](C)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305720775 1069129811 /nfs/dbraw/zinc/12/98/11/1069129811.db2.gz RWSYHCPEVOHQNZ-CTNGQTDRSA-N 0 3 461.699 3.237 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)N(CC)C[C@H]2C)n1Cc1ccccc1-n1cccn1 ZINC001305737204 1069160378 /nfs/dbraw/zinc/16/03/78/1069160378.db2.gz GLOSIGKPNZSMEI-WOJBJXKFSA-N 0 3 478.645 3.349 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1CCc1ccc2c[nH]nc2c1 ZINC001305738105 1069162948 /nfs/dbraw/zinc/16/29/48/1069162948.db2.gz LCUCGOKOTLYKNV-ZWKOTPCHSA-N 0 3 466.634 3.234 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1Cc1nc2cc(OC)ccc2n1C ZINC001305738892 1069164953 /nfs/dbraw/zinc/16/49/53/1069164953.db2.gz MZTXHEPBARCRHH-ZWKOTPCHSA-N 0 3 496.660 3.059 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1CCN1CCC(C)CC1 ZINC001305739294 1069167730 /nfs/dbraw/zinc/16/77/30/1069167730.db2.gz GMYVRTDTDWLING-UHFFFAOYSA-N 0 3 489.709 3.012 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1Cc1cccc(NC(C)=O)c1 ZINC001305741422 1069173659 /nfs/dbraw/zinc/17/36/59/1069173659.db2.gz SBPSYEDJJULVHQ-ROUUACIJSA-N 0 3 469.634 3.122 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CC3(CCC3)C[C@@H]2CC)n1CCN1CCN(C)C(C)(C)C1 ZINC001305742482 1069176768 /nfs/dbraw/zinc/17/67/68/1069176768.db2.gz PQWDQIUWINAADV-NRFANRHFSA-N 0 3 473.710 3.382 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1CCCn1nc(C)cc1C ZINC001305743750 1069181239 /nfs/dbraw/zinc/18/12/39/1069181239.db2.gz YLXOSLXHHITVDJ-PMACEKPBSA-N 0 3 458.655 3.019 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC(N(C)c3ccccc3)CC2)n1CCN1CCCC1 ZINC001305753985 1069203920 /nfs/dbraw/zinc/20/39/20/1069203920.db2.gz BTRQFFJMRZIVQK-UHFFFAOYSA-N 0 3 467.662 3.398 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC(CN3CCOCC3)CC2)n1C[C@@]1(C)CCCS1 ZINC001305755165 1069206387 /nfs/dbraw/zinc/20/63/87/1069206387.db2.gz KMFMDGVDMMHDDA-XMMPIXPASA-N 0 3 478.707 3.031 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC(NC(=O)C(C)C)CC2)n1C[C@H](C)N1CCC(C)CC1 ZINC001305756197 1069209535 /nfs/dbraw/zinc/20/95/35/1069209535.db2.gz DGEHEDLIVHOGEG-FQEVSTJZSA-N 0 3 489.709 3.058 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC(NC(=O)C(C)C)CC2)n1CCN1CCCC(C)(C)C1 ZINC001305757148 1069213311 /nfs/dbraw/zinc/21/33/11/1069213311.db2.gz TUIHDMGPVJTIKJ-UHFFFAOYSA-N 0 3 489.709 3.060 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCc3cc(OC)c(OC)cc3CC2)n1CCN1CCC[C@H]1C ZINC001305758474 1069217356 /nfs/dbraw/zinc/21/73/56/1069217356.db2.gz FYYIWJQNZRBRHH-LJQANCHMSA-N 0 3 498.672 3.303 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1CCN1CCC(C)CC1 ZINC001305759985 1069223158 /nfs/dbraw/zinc/22/31/58/1069223158.db2.gz VKXYWORNCBLAHZ-FQEVSTJZSA-N 0 3 491.681 3.032 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](C(=O)OC)C2)n1C[C@H]1CCCN1Cc1ccccc1 ZINC001305765668 1069236691 /nfs/dbraw/zinc/23/66/91/1069236691.db2.gz WPUSLVIKGCGAJQ-FYYLOGMGSA-N 0 3 496.656 3.251 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC=C(Br)C2)n1C[C@]1(N(C)C)CCSC1 ZINC001305765949 1069237295 /nfs/dbraw/zinc/23/72/95/1069237295.db2.gz ZTPZGWCWBFMUHX-HXUWFJFHSA-N 0 3 485.496 3.123 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](c3nc(C)no3)C2)n1C[C@@H]1N(C)CCCC1(C)C ZINC001305767858 1069239536 /nfs/dbraw/zinc/23/95/36/1069239536.db2.gz JAYUSTFCXLIOLF-QUCCMNQESA-N 0 3 486.665 3.392 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@]1(C)CCO[C@H]1C1CC1 ZINC001305779069 1069268133 /nfs/dbraw/zinc/26/81/33/1069268133.db2.gz KDMUZVGMEGRQFA-CPJSRVTESA-N 0 3 460.667 3.322 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(c3ccc(C)c(C)c3)CC2)n1CCN1CCCC1 ZINC001305782548 1069274976 /nfs/dbraw/zinc/27/49/76/1069274976.db2.gz CFHUYURFEJXZIX-UHFFFAOYSA-N 0 3 467.662 3.236 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCCCC3)CC2)n1CCC(=O)N1CCCCC1 ZINC001305785231 1069284662 /nfs/dbraw/zinc/28/46/62/1069284662.db2.gz JLUYFRMAMCCKPO-UHFFFAOYSA-N 0 3 487.693 3.054 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CCCC1CCOCC1 ZINC001305786123 1069288986 /nfs/dbraw/zinc/28/89/86/1069288986.db2.gz QPSZOTRZVAQWDT-FQEVSTJZSA-N 0 3 490.693 3.093 20 0 JGADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3ccc4ncnc(Cl)c4n3)CC2)CC1 ZINC001164616414 719028911 /nfs/dbraw/zinc/02/89/11/719028911.db2.gz DGIGIGJNXLVZIH-UHFFFAOYSA-N 0 3 453.921 3.467 20 0 JGADHN Cc1sc2nc(CN3CCOCC3)nc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c2c1C ZINC001164731497 720440309 /nfs/dbraw/zinc/44/03/09/720440309.db2.gz KYEOGKZQKODANC-RTWAWAEBSA-N 0 3 464.639 3.389 20 0 JGADHN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164740950 720762228 /nfs/dbraw/zinc/76/22/28/720762228.db2.gz LNOZFBQQOOKLCV-MOPGFXCFSA-N 0 3 467.643 3.282 20 0 JGADHN c1cncc(-c2nc3sc4c(c3c(N3CCN5C[C@H](Oc6cncnc6)C[C@H]5C3)n2)CCC4)c1 ZINC001164739335 720765447 /nfs/dbraw/zinc/76/54/47/720765447.db2.gz IHLSNXRTBYWONA-ZWKOTPCHSA-N 0 3 471.590 3.374 20 0 JGADHN Cc1sc2nc(CN3CCCC3)nc(-n3nc(C(=O)N4CCC[C@@H]4C)c4c3CCNC4)c2c1C ZINC001164849983 720806308 /nfs/dbraw/zinc/80/63/08/720806308.db2.gz HQHTZLSORDOAJE-HNNXBMFYSA-N 0 3 479.654 3.360 20 0 JGADHN CS(=O)(=O)c1ccc(Cl)nc1N1CC[C@]2(CN(CC3CC3)C[C@@H]2COCc2cccnc2)C1 ZINC001164749704 720907459 /nfs/dbraw/zinc/90/74/59/720907459.db2.gz IINUOTBVKPKVCQ-YKSBVNFPSA-N 0 3 491.057 3.289 20 0 JGADHN CC(C)N(C)Cc1cnc2n1CCN(c1ncnc3c1ccn3S(=O)(=O)c1ccccc1)[C@H]2C ZINC001164857630 720947387 /nfs/dbraw/zinc/94/73/87/720947387.db2.gz GSAZHLLBPXJQOQ-SFHVURJKSA-N 0 3 479.610 3.286 20 0 JGADHN CN(C)C(=O)c1cc2cnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)nc2n1C1CCCC1 ZINC001164865577 721090128 /nfs/dbraw/zinc/09/01/28/721090128.db2.gz NDKRPLAKXWUCSU-XZOQPEGZSA-N 0 3 489.624 3.123 20 0 JGADHN COc1ccc(-c2ccc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)nn2)c(OC)c1OC ZINC001164879438 721171461 /nfs/dbraw/zinc/17/14/61/721171461.db2.gz SGBYAHRCAGYXGZ-VQTJNVASSA-N 0 3 477.565 3.044 20 0 JGADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc5ccsc5c(N5CCOCC5)n4)CCN3C2)c1 ZINC001164898584 721518552 /nfs/dbraw/zinc/51/85/52/721518552.db2.gz JERNZMWVHGXFFK-IEBWSBKVSA-N 0 3 455.559 3.009 20 0 JGADHN Cc1cc2nc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164904117 721542421 /nfs/dbraw/zinc/54/24/21/721542421.db2.gz FGCZQZVYYCWOLU-QUCCMNQESA-N 0 3 469.586 3.317 20 0 JGADHN COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164906929 721546596 /nfs/dbraw/zinc/54/65/96/721546596.db2.gz LVPKSZVRLJDABC-PKOBYXMFSA-N 0 3 470.545 3.334 20 0 JGADHN CCC(CC)NS(=O)(=O)c1ccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164907170 721556179 /nfs/dbraw/zinc/55/61/79/721556179.db2.gz MJKNWPLWAMZQPD-FPOVZHCZSA-N 0 3 462.591 3.030 20 0 JGADHN COc1cccc(CN2C[C@H]3CCN(c4ccc(CN(C)C5CC5)cn4)CC[C@@H]3S2(=O)=O)c1 ZINC001164801472 721592802 /nfs/dbraw/zinc/59/28/02/721592802.db2.gz FBKWATBWRVHJHI-QPPBQGQZSA-N 0 3 470.639 3.115 20 0 JGADHN c1ccc2c(c1)cc(N1CCCC1)nc2N1CCO[C@@]2(C1)COCCN(Cc1cccnc1)C2 ZINC001164914373 721796322 /nfs/dbraw/zinc/79/63/22/721796322.db2.gz MPCXVBPGQSTOBH-MHZLTWQESA-N 0 3 459.594 3.338 20 0 JGADHN COc1cc(C(F)(F)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc(Cl)n1 ZINC001164963241 722062509 /nfs/dbraw/zinc/06/25/09/722062509.db2.gz BJLAVBPXSCLUHW-UHFFFAOYSA-N 0 3 453.921 3.198 20 0 JGADHN COC(=O)c1ccc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164981395 722107578 /nfs/dbraw/zinc/10/75/78/722107578.db2.gz LHMDIOMIODMGPP-AEFFLSMTSA-N 0 3 466.916 3.189 20 0 JGADHN COc1cc2nc(Cl)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2cc1OC ZINC001164974913 722110133 /nfs/dbraw/zinc/11/01/33/722110133.db2.gz IVLYOWXKKPPIKS-VGOFRKELSA-N 0 3 469.973 3.423 20 0 JGADHN CCOC(Cc1c(Cl)ncnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1)OCC ZINC001164975099 722118512 /nfs/dbraw/zinc/11/85/12/722118512.db2.gz JKWWYCRERSEOAW-FPOVZHCZSA-N 0 3 476.021 3.194 20 0 JGADHN c1cncc(CN2CCO[C@@H]3CN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)CC[C@H]3C2)c1 ZINC001164980320 722142684 /nfs/dbraw/zinc/14/26/84/722142684.db2.gz MTBJYWWUORWHFM-SQJMNOBHSA-N 0 3 459.550 3.037 20 0 JGADHN Cc1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001164981595 722151314 /nfs/dbraw/zinc/15/13/14/722151314.db2.gz PJSQPKDUDRQXRV-XZOQPEGZSA-N 0 3 458.566 3.160 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1C[C@H](c1ccc(C)cc1)N(C)C ZINC001305797646 1069318952 /nfs/dbraw/zinc/31/89/52/1069318952.db2.gz GNGTWWSYDHEPCC-QIJUGHKUSA-N 0 3 456.635 3.015 20 0 JGADHN CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1)c1ccccc1 ZINC001305805821 1069333099 /nfs/dbraw/zinc/33/30/99/1069333099.db2.gz YVGQBUDIZRCRNV-VWNXMTODSA-N 0 3 481.689 3.215 20 0 JGADHN CC[C@@H](Cn1c(-c2cc(C)nc3ccccc32)nnc1N(C)CCS(C)(=O)=O)N1CCCC1 ZINC001305807490 1069336195 /nfs/dbraw/zinc/33/61/95/1069336195.db2.gz ITTYLDDIGAGEIY-IBGZPJMESA-N 0 3 470.643 3.157 20 0 JGADHN CC[C@H](Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C[C@@H]2CCOC2)CC1)OC ZINC001305808208 1069337162 /nfs/dbraw/zinc/33/71/62/1069337162.db2.gz JHUHUUNZHPATHD-HSALFYBXSA-N 0 3 461.582 3.141 20 0 JGADHN CC[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](OCC(C)C)C1)N1CCCC1 ZINC001305814482 1069346219 /nfs/dbraw/zinc/34/62/19/1069346219.db2.gz IDBRZQKJTYJEBY-FGZHOGPDSA-N 0 3 489.686 3.474 20 0 JGADHN CC[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CCCO)CC1)N1CCCC1 ZINC001305813340 1069344068 /nfs/dbraw/zinc/34/40/68/1069344068.db2.gz CSFOXJQLBUTYLG-QFIPXVFZSA-N 0 3 489.686 3.212 20 0 JGADHN CC[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](OCC(C)C)C1)N1CCCC1 ZINC001305814485 1069346488 /nfs/dbraw/zinc/34/64/88/1069346488.db2.gz IDBRZQKJTYJEBY-YADHBBJMSA-N 0 3 489.686 3.474 20 0 JGADHN CC[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@](C)(OC)C1)N1CCCC1 ZINC001305814050 1069345096 /nfs/dbraw/zinc/34/50/96/1069345096.db2.gz GJQWNLXQLFUTRJ-HYBUGGRVSA-N 0 3 475.659 3.228 20 0 JGADHN CC[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N(C)CCS(=O)(=O)CC)N1CCCC1 ZINC001305814271 1069345739 /nfs/dbraw/zinc/34/57/39/1069345739.db2.gz MVEOZCHMWOHJSH-IBGZPJMESA-N 0 3 498.491 3.453 20 0 JGADHN CC[C@H](Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](S(C)(=O)=O)C1)N1CCCC1 ZINC001305814311 1069345855 /nfs/dbraw/zinc/34/58/55/1069345855.db2.gz DWVRYLGGXBGARP-MSOLQXFVSA-N 0 3 482.050 3.105 20 0 JGADHN CC[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(=O)CN(CC)CC)CC1)OC ZINC001305816153 1069349274 /nfs/dbraw/zinc/34/92/74/1069349274.db2.gz QOEIECSOXVHLQF-SFHVURJKSA-N 0 3 481.016 3.153 20 0 JGADHN CC[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(F)(F)C1)N1CCCC1 ZINC001305816249 1069349900 /nfs/dbraw/zinc/34/99/00/1069349900.db2.gz RKXKFLYGTAYDJN-KRWDZBQOSA-N 0 3 453.559 3.068 20 0 JGADHN CC[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC)C[C@@H]1CCCO1)N1CCCC1 ZINC001305816474 1069350389 /nfs/dbraw/zinc/35/03/89/1069350389.db2.gz SSSRMGCXDPHDAX-RTWAWAEBSA-N 0 3 475.659 3.228 20 0 JGADHN CC[C@H](Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCS(=O)(=O)CC1)N1CCCC1 ZINC001305818493 1069353487 /nfs/dbraw/zinc/35/34/87/1069353487.db2.gz PGPMBMCRLXMJKV-JOCHJYFZSA-N 0 3 489.686 3.479 20 0 JGADHN CC[C@@H](Cn1c(-c2ccccc2Cl)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1)N1CCCC1 ZINC001305820339 1069355944 /nfs/dbraw/zinc/35/59/44/1069355944.db2.gz CFGHMIXBHJBKEN-ZWKOTPCHSA-N 0 3 466.051 3.486 20 0 JGADHN CC[C@H](Cn1c(-c2ccccc2Cl)nnc1N(CC)[C@H]1CCS(=O)(=O)C1)N1CCCC1 ZINC001305820332 1069355985 /nfs/dbraw/zinc/35/59/85/1069355985.db2.gz CFGHMIXBHJBKEN-MSOLQXFVSA-N 0 3 466.051 3.486 20 0 JGADHN CC[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1)N1CCCC1 ZINC001305817461 1069351932 /nfs/dbraw/zinc/35/19/32/1069351932.db2.gz YLOLVCWNBSMIMR-IFMALSPDSA-N 0 3 489.686 3.474 20 0 JGADHN CC[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)CN(CC)CC)CC1)c1ccccc1 ZINC001305823193 1069359869 /nfs/dbraw/zinc/35/98/69/1069359869.db2.gz VKAUUEKVDOAWOX-OAQYLSRUSA-N 0 3 463.630 3.457 20 0 JGADHN CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C)NC(=O)OC(C)(C)C ZINC001305831897 1069372753 /nfs/dbraw/zinc/37/27/53/1069372753.db2.gz GMSPQKOGJUAOSA-NCXUSEDFSA-N 0 3 450.628 3.004 20 0 JGADHN CC[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1)OC ZINC001305839668 1069386260 /nfs/dbraw/zinc/38/62/60/1069386260.db2.gz ZOMHEBGIPGTYNJ-FGZHOGPDSA-N 0 3 461.054 3.164 20 0 JGADHN CCC(O)(CC)Cn1c(N2CCN(C3CCCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001305859280 1069415139 /nfs/dbraw/zinc/41/51/39/1069415139.db2.gz WARKFLOUQQTHAK-VWLOTQADSA-N 0 3 463.667 3.325 20 0 JGADHN CC[C@@]1(C)CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2CN2CCC(O)CC2)C1 ZINC001305862045 1069419056 /nfs/dbraw/zinc/41/90/56/1069419056.db2.gz NBQOFKZDNWKFLJ-SANMLTNESA-N 0 3 468.646 3.048 20 0 JGADHN CCc1ccc([C@@H](Cn2c(Cc3ccncc3)nnc2N2CCC(CC(N)=O)CC2)N(C)C)cc1 ZINC001305916358 1069470952 /nfs/dbraw/zinc/47/09/52/1069470952.db2.gz DSPNXLIJBSYIJA-XMMPIXPASA-N 0 3 475.641 3.221 20 0 JGADHN CCc1ccc([C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@H]2CC)N(C)C)cc1 ZINC001305916787 1069471439 /nfs/dbraw/zinc/47/14/39/1069471439.db2.gz NGOYYJGHLFIOBW-QMMLZNLJSA-N 0 3 462.664 3.132 20 0 JGADHN CCc1ccc([C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C)[C@H](C)C2)N(C)C)cc1 ZINC001305914294 1069469163 /nfs/dbraw/zinc/46/91/63/1069469163.db2.gz AZGFCYIPOIPETF-IWQHBPENSA-N 0 3 476.691 3.236 20 0 JGADHN CCc1ccc([C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@](C)(OC)C2)N(C)C)cc1 ZINC001305916986 1069472064 /nfs/dbraw/zinc/47/20/64/1069472064.db2.gz FTCANQIPXGBSAP-WATLYSKOSA-N 0 3 454.619 3.100 20 0 JGADHN CCc1ccc([C@@H](Cn2c(Cc3ccsc3)nnc2N2CCC(C(N)=O)CC2)N(C)C)cc1 ZINC001305917748 1069472471 /nfs/dbraw/zinc/47/24/71/1069472471.db2.gz IJAMBULWPMJJRF-JOCHJYFZSA-N 0 3 466.655 3.497 20 0 JGADHN CCc1ccc([C@@H](Cn2c(C3CCCC3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)N(C)C)cc1 ZINC001305918328 1069473174 /nfs/dbraw/zinc/47/31/74/1069473174.db2.gz LPEBYYSAUSRNRJ-WMZHIEFXSA-N 0 3 488.702 3.271 20 0 JGADHN CCc1ccc([C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)CC[C@@H]2C)N(C)C)cc1 ZINC001305920240 1069475784 /nfs/dbraw/zinc/47/57/84/1069475784.db2.gz XKEXJBVHCYCADD-OZIGNCPNSA-N 0 3 476.691 3.378 20 0 JGADHN CCc1ccc([C@@H](Cn2c([C@H]3CCCO3)nnc2N2CCC(C(=O)OC)CC2)N(C)C)cc1 ZINC001305921050 1069476781 /nfs/dbraw/zinc/47/67/81/1069476781.db2.gz QZOSGTYIDJPZFN-FGZHOGPDSA-N 0 3 455.603 3.384 20 0 JGADHN CCc1ccc([C@H](Cn2c(Cc3ccsc3)nnc2N2CCN(C)C(=O)[C@H]2C)N(C)C)cc1 ZINC001305921361 1069476814 /nfs/dbraw/zinc/47/68/14/1069476814.db2.gz XPMGADBPJYPYNU-GCJKJVERSA-N 0 3 466.655 3.463 20 0 JGADHN CN(CC(C)(C)C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CCc2ccccc2)C1 ZINC001298230120 1064138675 /nfs/dbraw/zinc/13/86/75/1064138675.db2.gz LJLRCTXDAMBFLX-FGZHOGPDSA-N 0 3 473.687 3.227 20 0 JGADHN CN(Cc1cc(Br)cs1)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCCC1 ZINC001298259984 1064155118 /nfs/dbraw/zinc/15/51/18/1064155118.db2.gz JRHVZTBBNZTLJZ-UHFFFAOYSA-N 0 3 490.431 3.482 20 0 JGADHN CN(C)[C@@]1(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc(OC(F)F)cc2)CCSC1 ZINC001298314499 1064189413 /nfs/dbraw/zinc/18/94/13/1064189413.db2.gz JXINCCBAGVNKEY-HSZRJFAPSA-N 0 3 494.612 3.189 20 0 JGADHN CN(C)[C@]1(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc(OC(F)F)cc2)CCSC1 ZINC001298314500 1064189553 /nfs/dbraw/zinc/18/95/53/1064189553.db2.gz JXINCCBAGVNKEY-QHCPKHFHSA-N 0 3 494.612 3.189 20 0 JGADHN CN(Cc1cccc(C(F)(F)F)c1)c1nnc([C@@H]2CCOC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001298328073 1064203291 /nfs/dbraw/zinc/20/32/91/1064203291.db2.gz DITIZIWSXBGHSF-LJQANCHMSA-N 0 3 480.579 3.463 20 0 JGADHN CN(Cc1cccc(F)c1)c1nnc(Cc2cccnc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001298340867 1064209648 /nfs/dbraw/zinc/20/96/48/1064209648.db2.gz VIVDFTUSDNWRBV-UHFFFAOYSA-N 0 3 451.594 3.065 20 0 JGADHN O=C(Nc1cccc(CN2CC[C@@H](O)C2)c1)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC001298378808 1064225890 /nfs/dbraw/zinc/22/58/90/1064225890.db2.gz QAZBBFGHGHWTTK-UYAOXDASSA-N 0 3 459.493 3.098 20 0 JGADHN CN1CCN(CC2CN(C(=O)c3cccc(OCc4ccccc4Br)c3)C2)CC1 ZINC001298437115 1064251060 /nfs/dbraw/zinc/25/10/60/1064251060.db2.gz BUCMYJYTZLKQKX-UHFFFAOYSA-N 0 3 458.400 3.348 20 0 JGADHN CN(Cc1ncnn1CC(F)F)c1nnc(-c2ccccc2Cl)n1CCN1CC=CCC1 ZINC001298462619 1064264545 /nfs/dbraw/zinc/26/45/45/1064264545.db2.gz UPJXVTICOMIVRS-UHFFFAOYSA-N 0 3 462.936 3.353 20 0 JGADHN CN(CC1CC1)c1nnc(COc2ccc(Br)cc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001298522866 1064290579 /nfs/dbraw/zinc/29/05/79/1064290579.db2.gz VSWBOUMPQJQQJC-UHFFFAOYSA-N 0 3 491.478 3.492 20 0 JGADHN CN(C[C@@H]1CCCCO1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1N(C)CCCC1(C)C ZINC001298538444 1064300383 /nfs/dbraw/zinc/30/03/83/1064300383.db2.gz ZPUUOPAPXODSLQ-OALUTQOASA-N 0 3 455.607 3.051 20 0 JGADHN CN(C[C@@H]1CCCCO1)c1nnc(Cc2ccc(F)cc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001298546858 1064309050 /nfs/dbraw/zinc/30/90/50/1064309050.db2.gz SBRZHPMIYUMVGQ-QFIPXVFZSA-N 0 3 458.626 3.039 20 0 JGADHN CN(CCC(F)(F)F)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CCN1CCCCC1 ZINC001298593641 1064368054 /nfs/dbraw/zinc/36/80/54/1064368054.db2.gz HCFLERWMMDYJHQ-UHFFFAOYSA-N 0 3 463.508 3.067 20 0 JGADHN CN(CCc1nccs1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN(C)C1CCCC1 ZINC001298630159 1064402682 /nfs/dbraw/zinc/40/26/82/1064402682.db2.gz GCPKRQYNPFGUSL-UHFFFAOYSA-N 0 3 488.683 3.358 20 0 JGADHN CN(CCC1CCOCC1)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCN1CCCC1 ZINC001298646762 1064419722 /nfs/dbraw/zinc/41/97/22/1064419722.db2.gz KVCYZMKGECCVMU-UHFFFAOYSA-N 0 3 475.037 3.210 20 0 JGADHN CN(C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCCS(C)(=O)=O)C1CCCCC1 ZINC001298689370 1064485255 /nfs/dbraw/zinc/48/52/55/1064485255.db2.gz FNALUJHYLAXZAT-LJQANCHMSA-N 0 3 483.082 3.375 20 0 JGADHN CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(Cl)c2)n1CCN(C)C1CCCC1 ZINC001298689444 1064485991 /nfs/dbraw/zinc/48/59/91/1064485991.db2.gz GJKYYTJTNIGROR-UHFFFAOYSA-N 0 3 454.040 3.344 20 0 JGADHN CN(CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC001298696899 1064497141 /nfs/dbraw/zinc/49/71/41/1064497141.db2.gz DBGTXIJBNUMUIB-UHFFFAOYSA-N 0 3 486.617 3.461 20 0 JGADHN CN(CCn1c(-c2ccccn2)nnc1N1CCO[C@H](C(F)(F)F)C1)Cc1ccc(F)cc1 ZINC001298704622 1064507758 /nfs/dbraw/zinc/50/77/58/1064507758.db2.gz MCVKYAIELNNTDP-IBGZPJMESA-N 0 3 464.467 3.379 20 0 JGADHN CN(CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1)Cc1ccccc1 ZINC001298714006 1064523360 /nfs/dbraw/zinc/52/33/60/1064523360.db2.gz JRJYUWCWMMOJOH-JOCHJYFZSA-N 0 3 490.718 3.107 20 0 JGADHN CN(CCn1c(CCc2ccccc2)nnc1N1CCN(C[C@H]2CCOC2)CC1)C(=O)OC(C)(C)C ZINC001298717713 1064528233 /nfs/dbraw/zinc/52/82/33/1064528233.db2.gz QDNCSPNWHNZCNJ-HSZRJFAPSA-N 0 3 498.672 3.089 20 0 JGADHN CN(C)[C@H](Cn1c(Cc2ccncc2)nnc1N(C)CCN1CCOC(C)(C)C1)c1cccc(F)c1 ZINC001298730125 1064545058 /nfs/dbraw/zinc/54/50/58/1064545058.db2.gz RZZFHQUQWAQNDH-XMMPIXPASA-N 0 3 495.647 3.253 20 0 JGADHN CN(CCOC(C)(C)C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001298747466 1064558990 /nfs/dbraw/zinc/55/89/90/1064558990.db2.gz CADXQPNVRKZOPU-HSZRJFAPSA-N 0 3 498.672 3.057 20 0 JGADHN Cn1cc(Br)cc1-c1nnc(N2CCN(C(C)(C)C)CC2)n1CC1(C)COC1 ZINC001298800675 1064597650 /nfs/dbraw/zinc/59/76/50/1064597650.db2.gz CFDORMYABVLBFC-UHFFFAOYSA-N 0 3 451.413 3.003 20 0 JGADHN Cn1cc(Br)cc1-c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H]1CC=CCO1 ZINC001298801923 1064600153 /nfs/dbraw/zinc/60/01/53/1064600153.db2.gz TWOBHMVGJJIBHI-KRWDZBQOSA-N 0 3 463.424 3.312 20 0 JGADHN Cn1ccc(Cn2c(Cc3c(F)cccc3F)nnc2N2CCN(CCC(C)(C)C)CC2)n1 ZINC001298842472 1064645283 /nfs/dbraw/zinc/64/52/83/1064645283.db2.gz MZZHVCJRJOEQPY-UHFFFAOYSA-N 0 3 457.573 3.487 20 0 JGADHN Cn1ccc(Nc2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCCC(C)(C)C2)n1 ZINC001298843409 1064646062 /nfs/dbraw/zinc/64/60/62/1064646062.db2.gz XJJSRPYEBJTBMA-UHFFFAOYSA-N 0 3 471.009 3.461 20 0 JGADHN Cn1cccc1-c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1cccc(Br)n1 ZINC001298862122 1064665615 /nfs/dbraw/zinc/66/56/15/1064665615.db2.gz OIFXDOHCXMXYNX-UHFFFAOYSA-N 0 3 458.408 3.410 20 0 JGADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CCc2ccc(F)cc2Cl)CC1 ZINC001298886854 1064695931 /nfs/dbraw/zinc/69/59/31/1064695931.db2.gz HZVLZTIXPYLEGL-HXUWFJFHSA-N 0 3 477.028 3.354 20 0 JGADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(C(F)(F)F)n2)CC1 ZINC001298887417 1064696495 /nfs/dbraw/zinc/69/64/95/1064696495.db2.gz JMYIQORJJGGFEO-GOSISDBHSA-N 0 3 493.578 3.072 20 0 JGADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC001298889475 1064699463 /nfs/dbraw/zinc/69/94/63/1064699463.db2.gz UFLLRERSQGBSEQ-SFHVURJKSA-N 0 3 494.562 3.107 20 0 JGADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(-c3ccccc3)n2CCCC(F)(F)F)CC1 ZINC001298890041 1064700399 /nfs/dbraw/zinc/70/03/99/1064700399.db2.gz ZFPAVKGORWFBIZ-GOSISDBHSA-N 0 3 450.509 3.030 20 0 JGADHN CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](c2ccsc2)N(C)C)C1 ZINC001299011633 1064794871 /nfs/dbraw/zinc/79/48/71/1064794871.db2.gz BVTODYJPOVGMAV-RDPSFJRHSA-N 0 3 468.627 3.281 20 0 JGADHN CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](c2ccsc2)N(C)C)C1 ZINC001299011629 1064794977 /nfs/dbraw/zinc/79/49/77/1064794977.db2.gz BVTODYJPOVGMAV-HYBUGGRVSA-N 0 3 468.627 3.281 20 0 JGADHN COc1cc(CN(C)C)ccc1NC(=O)CCC(=O)N1CCc2cc(OC)c(OC)cc2C1 ZINC001299105424 1064914762 /nfs/dbraw/zinc/91/47/62/1064914762.db2.gz GUOVLHBUUGFHRF-UHFFFAOYSA-N 0 3 455.555 3.078 20 0 JGADHN COc1cc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@]2(C)CN(C)C2=O)ccc1OC(C)C ZINC001299858226 1065070020 /nfs/dbraw/zinc/07/00/20/1065070020.db2.gz MSUNMIAYTZGJET-SANMLTNESA-N 0 3 484.645 3.140 20 0 JGADHN COc1cc(CN(C)c2nnc(C(=O)N3CCCC3)n2CCN2CCC[C@@H]2C)ccc1SC ZINC001299870512 1065088462 /nfs/dbraw/zinc/08/84/62/1065088462.db2.gz ZMFLJBDRQVWSSB-SFHVURJKSA-N 0 3 472.659 3.365 20 0 JGADHN COc1cc(Cl)ccc1-c1nnc(N2CCN(CC(C)C)CC2)n1C[C@]1(O)CCSC1 ZINC001299909137 1065155740 /nfs/dbraw/zinc/15/57/40/1065155740.db2.gz OLYFNTDCSRJVDC-JOCHJYFZSA-N 0 3 466.051 3.253 20 0 JGADHN COc1cc(OC)cc(-c2nnc(N3CC[C@H](NC(=O)OC(C)(C)C)C3)n2CCN2CC=CCC2)c1 ZINC001299942460 1065211910 /nfs/dbraw/zinc/21/19/10/1065211910.db2.gz PSUSHFLIUCZADO-FQEVSTJZSA-N 0 3 498.628 3.328 20 0 JGADHN COc1cc(OC)cc(N(C)c2nnc(-c3cccnc3)n2CCN2CCN(C)C(C)(C)C2)c1 ZINC001299957993 1065236871 /nfs/dbraw/zinc/23/68/71/1065236871.db2.gz NOHDPSZGSVDNAY-UHFFFAOYSA-N 0 3 465.602 3.151 20 0 JGADHN COc1cc2c(cc1C)CN(c1nnc(C(=O)NC(C)C)n1CCN1CCC(C)CC1)CC2 ZINC001299959888 1065241282 /nfs/dbraw/zinc/24/12/82/1065241282.db2.gz GIOWORHWMDBPNO-UHFFFAOYSA-N 0 3 454.619 3.028 20 0 JGADHN COc1ccc(Br)c(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CCC(=O)N(C)C)c1 ZINC001299974308 1065264625 /nfs/dbraw/zinc/26/46/25/1065264625.db2.gz AWTHHVWPGWYVDO-UHFFFAOYSA-N 0 3 493.450 3.115 20 0 JGADHN COc1ccc([C@@H](C)CCn2c(C(=O)NC(C)C)nnc2N2CCC(CN3CCOCC3)CC2)cc1 ZINC001299980401 1065278989 /nfs/dbraw/zinc/27/89/89/1065278989.db2.gz JOKFMVQKFRUHRQ-NRFANRHFSA-N 0 3 498.672 3.167 20 0 JGADHN Cc1ccc(F)c(CN(C)c2nnc(CC3CC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001492217934 1065327703 /nfs/dbraw/zinc/32/77/03/1065327703.db2.gz USKSPMIPIOYTIP-JOCHJYFZSA-N 0 3 456.610 3.257 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N(C)C[C@H]3CCCO3)n2CCN2CCC(C)CC2)cc1C ZINC001492244183 1065343042 /nfs/dbraw/zinc/34/30/42/1065343042.db2.gz OEVACJCQEJTNJP-JOCHJYFZSA-N 0 3 454.619 3.494 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCOC(C)(C)[C@H]3C)n2CCN2CCN(C)C(C)(C)C2)cc1C ZINC001492273771 1065367425 /nfs/dbraw/zinc/36/74/25/1065367425.db2.gz MBRCHVBHGZFYBL-OAQYLSRUSA-N 0 3 497.688 3.177 20 0 JGADHN Cc1ccc(O[C@@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCN(CC(C)C)CC2)cc1 ZINC001492288344 1065382387 /nfs/dbraw/zinc/38/23/87/1065382387.db2.gz LMULHANQHPPJHF-NRFANRHFSA-N 0 3 477.613 3.479 20 0 JGADHN Cc1ccc(OCc2nnc(N(C)C3CCN(CCn4cccn4)CC3)n2CC(C)(C)O)cc1C ZINC001492316503 1065392927 /nfs/dbraw/zinc/39/29/27/1065392927.db2.gz IJYAHAIKGXEHDB-UHFFFAOYSA-N 0 3 481.645 3.042 20 0 JGADHN Cc1c(Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCN(C(C)(C)C)CC2)cnn1C ZINC001492383580 1065447869 /nfs/dbraw/zinc/44/78/69/1065447869.db2.gz WAVOKYXJBSIYKJ-UHFFFAOYSA-N 0 3 451.619 3.485 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(CC(C)C)CC3)n2CC(=O)NCc2ccco2)cc1C ZINC001492383923 1065449507 /nfs/dbraw/zinc/44/95/07/1065449507.db2.gz CRKRKCALMRUFML-UHFFFAOYSA-N 0 3 480.613 3.161 20 0 JGADHN Cc1ccc(OCCCCn2c(C(=O)NC(C)C)nnc2N2CCN(C3CCOCC3)C[C@@H]2C)cc1 ZINC001492407068 1065473534 /nfs/dbraw/zinc/47/35/34/1065473534.db2.gz BIUNZPIBUIAJOR-QFIPXVFZSA-N 0 3 498.672 3.273 20 0 JGADHN Cc1ccc(SCc2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2CC(C)(C)CN(C)C)cc1 ZINC001492436490 1065491172 /nfs/dbraw/zinc/49/11/72/1065491172.db2.gz ITWGEPFXLCBVOX-SFHVURJKSA-N 0 3 465.689 3.090 20 0 JGADHN Cc1cccc(C(=O)NCCn2c([C@@H]3CCCCO3)nnc2N2CCN(CC(C)C)CC2)c1 ZINC001492477943 1065523793 /nfs/dbraw/zinc/52/37/93/1065523793.db2.gz ANXDPIDZTLLSSB-QFIPXVFZSA-N 0 3 454.619 3.036 20 0 JGADHN CO[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](c2ccccc2)N(C)C)CC1(C)C ZINC001300843313 1065582153 /nfs/dbraw/zinc/58/21/53/1065582153.db2.gz PQBDEJVBVLRFLP-FPOVZHCZSA-N 0 3 482.654 3.434 20 0 JGADHN CC(C)C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CCCC[N@H+](C)C2)c(Cl)cc1Cl ZINC001300873270 1065649261 /nfs/dbraw/zinc/64/92/61/1065649261.db2.gz KSPJAGBPVLYEHO-CQSZACIVSA-N 0 3 450.432 3.389 20 0 JGADHN CC(C)C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)c(Cl)cc1Cl ZINC001300873270 1065649267 /nfs/dbraw/zinc/64/92/67/1065649267.db2.gz KSPJAGBPVLYEHO-CQSZACIVSA-N 0 3 450.432 3.389 20 0 JGADHN COC[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001300953541 1065758056 /nfs/dbraw/zinc/75/80/56/1065758056.db2.gz QNRPUCDODQSGJA-YKSBVNFPSA-N 0 3 497.688 3.034 20 0 JGADHN COC[C@@H](C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCN(C2CCOCC2)CC1 ZINC001300964969 1065774155 /nfs/dbraw/zinc/77/41/55/1065774155.db2.gz NRGPFIFKRNPVAD-INIZCTEOSA-N 0 3 496.425 3.430 20 0 JGADHN O=C(CC1(N2CCOCC2)CCCC1)N1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001300982658 1065794231 /nfs/dbraw/zinc/79/42/31/1065794231.db2.gz MVHJBPKUQFOQRA-LJQANCHMSA-N 0 3 459.553 3.061 20 0 JGADHN COC[C@H](Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C)OC ZINC001301034296 1065875911 /nfs/dbraw/zinc/87/59/11/1065875911.db2.gz NHDOIJKFNNUXCZ-UNMCSNQZSA-N 0 3 489.686 3.230 20 0 JGADHN COC[C@H](F)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(C2CCCC2)CC1 ZINC001301065732 1065916210 /nfs/dbraw/zinc/91/62/10/1065916210.db2.gz HOLSEBNEXGEDLK-VQTJNVASSA-N 0 3 494.656 3.442 20 0 JGADHN COC[C@H](F)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001301082095 1065932315 /nfs/dbraw/zinc/93/23/15/1065932315.db2.gz LAEKLOMFKWKSOU-PKOBYXMFSA-N 0 3 484.041 3.367 20 0 JGADHN COC[C@@H]1CCCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2C[C@H](C)C[C@H](C)C2)C1 ZINC001301244385 1066060825 /nfs/dbraw/zinc/06/08/25/1066060825.db2.gz KDOUIYRYEMFSBM-CIAFKFPVSA-N 0 3 495.734 3.190 20 0 JGADHN COC[C@H]1CCCCN(c2nnc(C3CCCC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001301247208 1066063851 /nfs/dbraw/zinc/06/38/51/1066063851.db2.gz ZHXCVOWDBVKCQE-RBBKRZOGSA-N 0 3 460.667 3.131 20 0 JGADHN COC[C@H]1CCCCN(c2nnc(CCc3ccccc3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001301249949 1066067277 /nfs/dbraw/zinc/06/72/77/1066067277.db2.gz PPOIJRZAHNIRAA-DEOSSOPVSA-N 0 3 468.690 3.342 20 0 JGADHN COC[C@@H]1CCCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](c2ccccc2)N(C)C)C1 ZINC001301260671 1066075422 /nfs/dbraw/zinc/07/54/22/1066075422.db2.gz DGMWRNSNLXIXIJ-VIICAESSSA-N 0 3 471.646 3.484 20 0 JGADHN COC[C@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](c2ccccc2)N(C)C)C1 ZINC001301283074 1066091124 /nfs/dbraw/zinc/09/11/24/1066091124.db2.gz NMTITJATUUZYMT-PZJWPPBQSA-N 0 3 482.654 3.435 20 0 JGADHN COC[C@@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](c2ccccc2)N(C)C)C1 ZINC001301283071 1066091259 /nfs/dbraw/zinc/09/12/59/1066091259.db2.gz NMTITJATUUZYMT-CTNGQTDRSA-N 0 3 482.654 3.435 20 0 JGADHN COCC1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CCN2CC=CCC2)CC1 ZINC001301293249 1066097888 /nfs/dbraw/zinc/09/78/88/1066097888.db2.gz GECOVLIBJXYDFR-UHFFFAOYSA-N 0 3 471.602 3.096 20 0 JGADHN COC[C@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2N(C)CCCC2(C)C)CCO1 ZINC001301345105 1066136661 /nfs/dbraw/zinc/13/66/61/1066136661.db2.gz FIUDSTJJSOCYJK-YADHBBJMSA-N 0 3 484.645 3.119 20 0 JGADHN COC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2C[C@@H](c2cccc(F)c2)N(C)C)C[C@H](C)O1 ZINC001301399840 1066180362 /nfs/dbraw/zinc/18/03/62/1066180362.db2.gz QDMKLNNXQUSTIG-SSKFGXFMSA-N 0 3 488.633 3.316 20 0 JGADHN COCCC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(C)C)CC1 ZINC001301429750 1066226852 /nfs/dbraw/zinc/22/68/52/1066226852.db2.gz HFNKJIIQFSOMHL-UHFFFAOYSA-N 0 3 453.635 3.357 20 0 JGADHN C[C@H](C(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1)N1CCCCCC1 ZINC001301495325 1066319987 /nfs/dbraw/zinc/31/99/87/1066319987.db2.gz ZQJXSAGKVKKGIM-LJQANCHMSA-N 0 3 452.640 3.005 20 0 JGADHN CCC1(N2CCOCC2)CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001302008178 1066350043 /nfs/dbraw/zinc/35/00/43/1066350043.db2.gz GNIMGGAIRKRPKG-LAUBAEHRSA-N 0 3 451.970 3.102 20 0 JGADHN CCC1(N2CCOCC2)CCN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC001302008182 1066350268 /nfs/dbraw/zinc/35/02/68/1066350268.db2.gz GNIMGGAIRKRPKG-UWJYYQICSA-N 0 3 451.970 3.102 20 0 JGADHN COCCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001301525804 1066352440 /nfs/dbraw/zinc/35/24/40/1066352440.db2.gz CSCYQFYZZFPDOU-UHFFFAOYSA-N 0 3 481.439 3.153 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CC[C@@H](c3ccccc3C)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001302017234 1066367040 /nfs/dbraw/zinc/36/70/40/1066367040.db2.gz SCNYDQJNRWBCKQ-DHIUTWEWSA-N 0 3 484.689 3.330 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCC3(Cc4ccccc4C3=O)CC2)n1CCN(C)C(C)C ZINC001302034847 1066403955 /nfs/dbraw/zinc/40/39/55/1066403955.db2.gz CYRACTCTVANEME-HXUWFJFHSA-N 0 3 469.630 3.368 20 0 JGADHN COCCCN(C)c1nnc(-c2ccccn2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001301591195 1066429604 /nfs/dbraw/zinc/42/96/04/1066429604.db2.gz WIZNKCULJLYECY-JOCHJYFZSA-N 0 3 450.587 3.104 20 0 JGADHN COCCCN(c1nnc(-c2ccc(Cl)cc2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 ZINC001301618017 1066470101 /nfs/dbraw/zinc/47/01/01/1066470101.db2.gz KRFVTHMIJBMEMQ-FQEVSTJZSA-N 0 3 496.077 3.113 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccc(-n2nc(C)cc2C)nc1 ZINC001302082323 1066502380 /nfs/dbraw/zinc/50/23/80/1066502380.db2.gz XFUKKBSHUADCPB-NRFANRHFSA-N 0 3 496.660 3.168 20 0 JGADHN CC(=O)N(C)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 ZINC001301638738 1066502565 /nfs/dbraw/zinc/50/25/65/1066502565.db2.gz VVOORHLYNKEEJW-LADGPHEKSA-N 0 3 468.646 3.231 20 0 JGADHN CC(=O)N(C)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 ZINC001301638733 1066502639 /nfs/dbraw/zinc/50/26/39/1066502639.db2.gz VVOORHLYNKEEJW-ISKFKSNPSA-N 0 3 468.646 3.231 20 0 JGADHN CC(=O)N(C)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 ZINC001301638741 1066502810 /nfs/dbraw/zinc/50/28/10/1066502810.db2.gz VVOORHLYNKEEJW-VWNXMTODSA-N 0 3 468.646 3.231 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1cccc(N2CCCC2=O)c1 ZINC001302083410 1066504537 /nfs/dbraw/zinc/50/45/37/1066504537.db2.gz ZTHPORYQSOLKDN-HXUWFJFHSA-N 0 3 484.645 3.098 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CCc1c(F)cccc1F ZINC001302091419 1066519483 /nfs/dbraw/zinc/51/94/83/1066519483.db2.gz CLNZFQWFIZBMOC-RBUKOAKNSA-N 0 3 493.599 3.213 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCN(C3CCCC3)CC2)n1Cc1ccc(C)cc1OC ZINC001302094811 1066523852 /nfs/dbraw/zinc/52/38/52/1066523852.db2.gz RVYGPGBFUAKASM-FQEVSTJZSA-N 0 3 457.619 3.432 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1Cc1ccccc1C ZINC001302095693 1066525642 /nfs/dbraw/zinc/52/56/42/1066525642.db2.gz WCGCDUMEQFBSCM-LEWJYISDSA-N 0 3 457.619 3.048 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1C[C@H]1CCSC1(C)C ZINC001302095736 1066525739 /nfs/dbraw/zinc/52/57/39/1066525739.db2.gz WNQGWXLARYPJQP-SLFFLAALSA-N 0 3 481.707 3.223 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCO[C@H](C(C)C)C2)n1CC1(N2CCSCC2)CCCC1 ZINC001302096407 1066526157 /nfs/dbraw/zinc/52/61/57/1066526157.db2.gz GUMIWDKKKFLUCX-RTWAWAEBSA-N 0 3 481.707 3.225 20 0 JGADHN CC(C)(C)c1nnc(N2CCN(CC3CCOCC3)CC2)n1Cc1cccc(C(C)(C)O)c1 ZINC001302096203 1066526214 /nfs/dbraw/zinc/52/62/14/1066526214.db2.gz IVSMUUKFSWLZGP-UHFFFAOYSA-N 0 3 455.647 3.400 20 0 JGADHN COCCCn1c(CSc2ccc(C)cc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001301657844 1066527096 /nfs/dbraw/zinc/52/70/96/1066527096.db2.gz QBDMYBWXXTYWAN-UHFFFAOYSA-N 0 3 459.660 3.464 20 0 JGADHN CC(C)(C)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCC1CCN(CC(F)(F)F)CC1 ZINC001302096612 1066527466 /nfs/dbraw/zinc/52/74/66/1066527466.db2.gz LADNFTMHJPDLGP-FQEVSTJZSA-N 0 3 486.627 3.399 20 0 JGADHN CC(C)(C)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001302096952 1066528659 /nfs/dbraw/zinc/52/86/59/1066528659.db2.gz PXZRFQSCGDVTBS-SFHVURJKSA-N 0 3 482.551 3.119 20 0 JGADHN CC(C)(C)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCc1ccc(F)c(F)c1F ZINC001302097190 1066529082 /nfs/dbraw/zinc/52/90/82/1066529082.db2.gz RXFJCHUTDSMNIT-INIZCTEOSA-N 0 3 451.537 3.394 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1C[C@@H](c1cccs1)N1CCCC1 ZINC001302112894 1066554229 /nfs/dbraw/zinc/55/42/29/1066554229.db2.gz SISYNWPUSKMCDX-ZRNYENFQSA-N 0 3 463.648 3.108 20 0 JGADHN CC(C)(C)OC(=O)N[C@@H]1CCc2cc(C(=O)NC[C@H]3CCN3C3CCCC3)ccc2NC1=O ZINC001302123841 1066568026 /nfs/dbraw/zinc/56/80/26/1066568026.db2.gz AGCXJRZCRVVHKL-TZIWHRDSSA-N 0 3 456.587 3.211 20 0 JGADHN COCCOc1cc(C)ccc1Cn1c(C(C)C)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001302131467 1066575866 /nfs/dbraw/zinc/57/58/66/1066575866.db2.gz WHHHDSFKCNIQRY-OAQYLSRUSA-N 0 3 471.646 3.473 20 0 JGADHN CC(=O)N1CCCN(c2nnc(-c3ccc(C)o3)n2CCN(C)Cc2ccc(F)cc2)CC1 ZINC001301696352 1066584486 /nfs/dbraw/zinc/58/44/86/1066584486.db2.gz NGNNIWYNDVZYJN-UHFFFAOYSA-N 0 3 454.550 3.176 20 0 JGADHN CC(=O)N1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001301701701 1066590624 /nfs/dbraw/zinc/59/06/24/1066590624.db2.gz YTKVRHVZKSXKSE-HSZRJFAPSA-N 0 3 465.577 3.149 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)(C)C)n3CCC[C@H]3CCCCO3)C[C@@H]2C)CC1 ZINC001301707327 1066597406 /nfs/dbraw/zinc/59/74/06/1066597406.db2.gz BWTMRDIGSNQRKL-MDNUFGMLSA-N 0 3 474.694 3.304 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(CC(C)(C)C)n3CCCCOC(C)C)C[C@@H]2C)CC1 ZINC001301707567 1066598110 /nfs/dbraw/zinc/59/81/10/1066598110.db2.gz CYRYSGXHTZQOEZ-GMAHTHKFSA-N 0 3 476.710 3.451 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)C)n3C[C@@H](C)Oc3ccccc3)C[C@H]2C)CC1 ZINC001301707660 1066598125 /nfs/dbraw/zinc/59/81/25/1066598125.db2.gz DZDPSWSYWCDFDB-TZBSWOFLSA-N 0 3 482.673 3.323 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(Cc4ccsc4)n3CCCOC(C)C)C[C@@H]2C)CC1 ZINC001301707680 1066598237 /nfs/dbraw/zinc/59/82/37/1066598237.db2.gz FAHBHPJWSSKQIR-NZQKXSOJSA-N 0 3 488.702 3.124 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(CC(C)(C)C)n3CCC3CCOCC3)C[C@H]2C)CC1 ZINC001301708249 1066599776 /nfs/dbraw/zinc/59/97/76/1066599776.db2.gz KHKJKRRVRNFVTA-OFNKIYASSA-N 0 3 474.694 3.062 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C)n3CC(C)(C)c3ccccc3F)C[C@@H]2C)CC1 ZINC001301708272 1066599849 /nfs/dbraw/zinc/59/98/49/1066599849.db2.gz KPAXBXMSARKVFR-FDDCHVKYSA-N 0 3 456.610 3.082 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(-c4ccccc4F)n3CCCOC(C)C)C[C@H]2C)CC1 ZINC001301708325 1066600785 /nfs/dbraw/zinc/60/07/85/1066600785.db2.gz LKBVBWGUEPJBBO-HYBUGGRVSA-N 0 3 486.636 3.278 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)C)n3CCc3ccsc3)C[C@@H]2C)CC1 ZINC001301708487 1066601360 /nfs/dbraw/zinc/60/13/60/1066601360.db2.gz NVIQPGGEOQJHKF-SIKLNZKXSA-N 0 3 458.676 3.160 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)C)n3CCCOCCC(C)C)C[C@@H]2C)CC1 ZINC001301708738 1066602050 /nfs/dbraw/zinc/60/20/50/1066602050.db2.gz PSCSXEGZXYVYQH-GMAHTHKFSA-N 0 3 462.683 3.233 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)(C)C)n3Cc3cccc(F)c3)C[C@H]2C)CC1 ZINC001301709354 1066602760 /nfs/dbraw/zinc/60/27/60/1066602760.db2.gz UDPPRMWERCTHST-GCJKJVERSA-N 0 3 456.610 3.142 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)(C)C)n3CCCC(F)(F)F)C[C@@H]2C)CC1 ZINC001301709604 1066603643 /nfs/dbraw/zinc/60/36/43/1066603643.db2.gz UVHILTQHJRXZKH-WMZOPIPTSA-N 0 3 458.573 3.297 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(CC4CCCC4)n3CCOC(C)(C)C)C[C@H]2C)CC1 ZINC001301709651 1066603752 /nfs/dbraw/zinc/60/37/52/1066603752.db2.gz VPAAXHVZKARLPO-OFNKIYASSA-N 0 3 474.694 3.205 20 0 JGADHN COCCO[C@H]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC001302163129 1066623302 /nfs/dbraw/zinc/62/33/02/1066623302.db2.gz YVJACOWYMGWKJU-GOTSBHOMSA-N 0 3 471.646 3.108 20 0 JGADHN COCCO[C@H]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC001302163132 1066623383 /nfs/dbraw/zinc/62/33/83/1066623383.db2.gz YVJACOWYMGWKJU-XZOQPEGZSA-N 0 3 471.646 3.108 20 0 JGADHN CC(C)(C)Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1cccc(C(F)(F)F)n1 ZINC001302166420 1066629894 /nfs/dbraw/zinc/62/98/94/1066629894.db2.gz NJVAKUKUZZZBJB-UHFFFAOYSA-N 0 3 493.578 3.073 20 0 JGADHN COCCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2cccc(F)c2)N(C)C)C1 ZINC001302175993 1066650470 /nfs/dbraw/zinc/65/04/70/1066650470.db2.gz MVTDMTXQASMKGR-FYYLOGMGSA-N 0 3 468.577 3.332 20 0 JGADHN COCCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2cccc(F)c2)N(C)C)C1 ZINC001302175996 1066650559 /nfs/dbraw/zinc/65/05/59/1066650559.db2.gz MVTDMTXQASMKGR-JTHBVZDNSA-N 0 3 468.577 3.332 20 0 JGADHN COCCN(C)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC001301731111 1066650697 /nfs/dbraw/zinc/65/06/97/1066650697.db2.gz JZTNHDZAHMJKBP-NHCUHLMSSA-N 0 3 464.010 3.329 20 0 JGADHN CC(C)(C)Cc1nnc(N2CCN(CC3CCOCC3)CC2)n1C[C@](C)(O)c1ccc(F)cc1 ZINC001302176367 1066651147 /nfs/dbraw/zinc/65/11/47/1066651147.db2.gz MNIZRIDUOKSMDZ-SANMLTNESA-N 0 3 473.637 3.462 20 0 JGADHN COCCN(C)CCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 ZINC001301733794 1066654683 /nfs/dbraw/zinc/65/46/83/1066654683.db2.gz IXFVWEILQJXOTF-XMMPIXPASA-N 0 3 465.646 3.410 20 0 JGADHN COCCN(C)CCn1c(CC(C)(C)C)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC001301735203 1066656637 /nfs/dbraw/zinc/65/66/37/1066656637.db2.gz XAUFIEFLNZNXJA-XMMPIXPASA-N 0 3 464.054 3.282 20 0 JGADHN COCCN(C)CCn1c(CC(C)(C)C)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC001301735202 1066656686 /nfs/dbraw/zinc/65/66/86/1066656686.db2.gz XAUFIEFLNZNXJA-DEOSSOPVSA-N 0 3 464.054 3.282 20 0 JGADHN CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](c2ccc(F)cc2)N(C)C)[C@@H](C)C1 ZINC001301735438 1066657438 /nfs/dbraw/zinc/65/74/38/1066657438.db2.gz ZQFKZIDSQIFWQC-MBSDFSHPSA-N 0 3 465.577 3.148 20 0 JGADHN COCCOC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 ZINC001302180451 1066658211 /nfs/dbraw/zinc/65/82/11/1066658211.db2.gz ZKVMRQUMAAEFHY-UPVQGACJSA-N 0 3 471.646 3.415 20 0 JGADHN COCCN(C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC2(CCCC2)C1 ZINC001301740082 1066660906 /nfs/dbraw/zinc/66/09/06/1066660906.db2.gz JANWSXSLYOBAQS-BGYRXZFFSA-N 0 3 476.666 3.398 20 0 JGADHN COCCN(C)CCn1c(N2CCC[C@]3(CC=CCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001301739977 1066660921 /nfs/dbraw/zinc/66/09/21/1066660921.db2.gz GYALVBHSGYUDJT-RPBOFIJWSA-N 0 3 461.651 3.224 20 0 JGADHN COCCN(C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccccc2F)CC1 ZINC001301741246 1066663149 /nfs/dbraw/zinc/66/31/49/1066663149.db2.gz QDFXPSIGSNCBPR-NFBKMPQASA-N 0 3 488.652 3.241 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)C2CCCCC2)CC1 ZINC001302191307 1066674258 /nfs/dbraw/zinc/67/42/58/1066674258.db2.gz YZIZPZFUPNLUQW-SANMLTNESA-N 0 3 474.694 3.404 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCC(=O)NC(C)(C)C)CC1 ZINC001302191807 1066675633 /nfs/dbraw/zinc/67/56/33/1066675633.db2.gz BRXGTYJYVGADAN-UHFFFAOYSA-N 0 3 494.688 3.380 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2nccn2C(F)F)CC1 ZINC001302192160 1066675931 /nfs/dbraw/zinc/67/59/31/1066675931.db2.gz FDIUDQVNVSQTAA-UHFFFAOYSA-N 0 3 458.561 3.462 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(C3CCC3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 ZINC001302192150 1066675990 /nfs/dbraw/zinc/67/59/90/1066675990.db2.gz DTAIECVXQGIGNS-FQEVSTJZSA-N 0 3 468.637 3.460 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)N2CCOCC2)CC1 ZINC001302192449 1066676905 /nfs/dbraw/zinc/67/69/05/1066676905.db2.gz HYCDUOCZPXDGKY-NRFANRHFSA-N 0 3 462.683 3.189 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2cc(F)cc(F)c2)CC1 ZINC001302193512 1066678879 /nfs/dbraw/zinc/67/88/79/1066678879.db2.gz RHWLSSHWZHFBCY-UHFFFAOYSA-N 0 3 474.600 3.480 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@]2(C)COCCO2)CC1 ZINC001302193767 1066679598 /nfs/dbraw/zinc/67/95/98/1066679598.db2.gz UURXQWXOEJVYKU-RUZDIDTESA-N 0 3 459.610 3.372 20 0 JGADHN CC(C)(C)N1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCOCC(F)F)CC1 ZINC001302202156 1066697973 /nfs/dbraw/zinc/69/79/73/1066697973.db2.gz FWZZDSWQGCSFLK-LJQANCHMSA-N 0 3 465.545 3.383 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC[C@@H]2COCCO2)CC1 ZINC001302202981 1066699117 /nfs/dbraw/zinc/69/91/17/1066699117.db2.gz MHRNRSCWMXAEQS-HXUWFJFHSA-N 0 3 464.010 3.237 20 0 JGADHN CC(=O)Nc1ccc(CCn2c(CC(C)C)nnc2N2CCN(CC3CCOCC3)CC2)cc1 ZINC001301778399 1066726068 /nfs/dbraw/zinc/72/60/68/1066726068.db2.gz LVBYJMNBWRXLSV-UHFFFAOYSA-N 0 3 468.646 3.226 20 0 JGADHN CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccoc1 ZINC001302239758 1066762187 /nfs/dbraw/zinc/76/21/87/1066762187.db2.gz CRRMTQXXBFSZAG-IBGZPJMESA-N 0 3 474.606 3.148 20 0 JGADHN COCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H]1CCCN1C ZINC001301811151 1066766624 /nfs/dbraw/zinc/76/66/24/1066766624.db2.gz GWKFSYLGZRSEMH-UUOWRZLLSA-N 0 3 451.567 3.141 20 0 JGADHN COCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001301818738 1066779588 /nfs/dbraw/zinc/77/95/88/1066779588.db2.gz RWHSOWYTAGVVHR-FPOVZHCZSA-N 0 3 477.053 3.323 20 0 JGADHN CC(C)(C)OC(=O)NCCCCn1c(CC2CC2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001302267034 1066824888 /nfs/dbraw/zinc/82/48/88/1066824888.db2.gz XIFNRDRFURBXEX-UHFFFAOYSA-N 0 3 476.666 3.084 20 0 JGADHN CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@H](c2cccc(F)c2)N(C)C)C1 ZINC001301858478 1066841093 /nfs/dbraw/zinc/84/10/93/1066841093.db2.gz OWSKDQSAXBBZGB-AUSIDOKSSA-N 0 3 467.593 3.078 20 0 JGADHN CC(=O)NC[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCCN2CCc3ccccc3C2)C1 ZINC001301860065 1066844921 /nfs/dbraw/zinc/84/49/21/1066844921.db2.gz YKZSWTFYFDTLDP-NRFANRHFSA-N 0 3 452.647 3.377 20 0 JGADHN COCCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CN(CC(C)C)CCO2)C[C@@H]1C ZINC001301888785 1066905019 /nfs/dbraw/zinc/90/50/19/1066905019.db2.gz PHIGIMWNLZFYPZ-REWPJTCUSA-N 0 3 491.080 3.112 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(CCC(C)(C)C)CC2)n1CCCn1nc(C)cc1C ZINC001302311562 1066905877 /nfs/dbraw/zinc/90/58/77/1066905877.db2.gz NNDIIJBVXSYNRO-GOTSBHOMSA-N 0 3 487.693 3.464 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C(C)C)C2)n1C[C@H](c1cccs1)N(C)C ZINC001302312238 1066906992 /nfs/dbraw/zinc/90/69/92/1066906992.db2.gz XBBAJEYTQWLXSR-JTJHWIPRSA-N 0 3 463.648 3.228 20 0 JGADHN CC(C)(C)OCCn1c(COc2ccccc2F)nnc1N1CCN(C2CCOCC2)CC1 ZINC001302314697 1066911111 /nfs/dbraw/zinc/91/11/11/1066911111.db2.gz SMOKZDLZLKFBRR-UHFFFAOYSA-N 0 3 461.582 3.112 20 0 JGADHN CCn1c(SCC(=O)Nc2cc(N3CCN(C)CC3)ccn2)nnc1-c1ccccc1C ZINC001302316261 1066913432 /nfs/dbraw/zinc/91/34/32/1066913432.db2.gz DARDMGAPDKLYPX-UHFFFAOYSA-N 0 3 451.600 3.151 20 0 JGADHN CC(C)(CN1CCCC1)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(F)(F)C1 ZINC001302345057 1066942195 /nfs/dbraw/zinc/94/21/95/1066942195.db2.gz IMJXMEMLBWVBMM-UHFFFAOYSA-N 0 3 467.586 3.316 20 0 JGADHN CO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)N2CCC[C@H](C)C2)C1 ZINC001302363461 1066953720 /nfs/dbraw/zinc/95/37/20/1066953720.db2.gz FTYQHABPHBUBSG-AZUAARDMSA-N 0 3 475.659 3.084 20 0 JGADHN CO[C@@H]1CC[C@@H]2CN(c3nnc(-c4cccc(S(C)(=O)=O)c4)n3C[C@H](CC(C)C)N(C)C)C[C@H]12 ZINC001302383850 1066967258 /nfs/dbraw/zinc/96/72/58/1066967258.db2.gz LLEWJWNZUIMIGR-DWQJTFDBSA-N 0 3 489.686 3.186 20 0 JGADHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(C(C)(C)C)n2C[C@H](c2ccco2)N2CCCC2)C1 ZINC001301931021 1066968759 /nfs/dbraw/zinc/96/87/59/1066968759.db2.gz OWOHRXZXYMLMMF-NJDAHSKKSA-N 0 3 486.661 3.373 20 0 JGADHN CC(C)C(=O)N1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 ZINC001302394298 1066974267 /nfs/dbraw/zinc/97/42/67/1066974267.db2.gz XSRPBQKBUCYMSJ-QFIPXVFZSA-N 0 3 467.593 3.410 20 0 JGADHN CC(=O)NCCCn1c(COc2cccc(C)c2)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC001301935665 1066976599 /nfs/dbraw/zinc/97/65/99/1066976599.db2.gz VVZLMBGQFREBSI-UHFFFAOYSA-N 0 3 468.646 3.392 20 0 JGADHN CC(C)C(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2C[C@H](c2cccs2)N(C)C)C1 ZINC001302417215 1066999561 /nfs/dbraw/zinc/99/95/61/1066999561.db2.gz HXJNACLLWKUMBO-XUVXKRRUSA-N 0 3 474.675 3.278 20 0 JGADHN CC1(C)CCCN(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CCCO)CC2)C1 ZINC001303959257 1067014000 /nfs/dbraw/zinc/01/40/00/1067014000.db2.gz JFDAWKAWNDIVSX-UHFFFAOYSA-N 0 3 469.634 3.036 20 0 JGADHN CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@H](c2cccc(F)c2)N(C)C)C1 ZINC001302432526 1067021943 /nfs/dbraw/zinc/02/19/43/1067021943.db2.gz XAHPZTFJTIWMKF-AUSIDOKSSA-N 0 3 494.619 3.166 20 0 JGADHN CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1CCN1CCOC(C)(C)C1 ZINC001303981256 1067029180 /nfs/dbraw/zinc/02/91/80/1067029180.db2.gz HLZKLXOLCLMKHT-NHCUHLMSSA-N 0 3 476.710 3.228 20 0 JGADHN CC(C)C(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccccc2)N(C)C)C1 ZINC001302436605 1067031518 /nfs/dbraw/zinc/03/15/18/1067031518.db2.gz YWNHQRTWJKJPTM-QPTUXGOLSA-N 0 3 482.673 3.464 20 0 JGADHN CC1=C(Br)CN(c2nnc(C(=O)N3CCCC3)n2CCN2CCC[C@H](C)C2)CC1 ZINC001303999010 1067041854 /nfs/dbraw/zinc/04/18/54/1067041854.db2.gz DDDOLZNRYPFEBW-INIZCTEOSA-N 0 3 465.440 3.125 20 0 JGADHN CC(C)C(=O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001302472057 1067076589 /nfs/dbraw/zinc/07/65/89/1067076589.db2.gz XAMXTLUGRODBQL-UHFFFAOYSA-N 0 3 458.626 3.338 20 0 JGADHN Cc1ccsc1CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001304072261 1067116127 /nfs/dbraw/zinc/11/61/27/1067116127.db2.gz WXRMHFHOYWOVLG-IBGZPJMESA-N 0 3 458.676 3.222 20 0 JGADHN Cc1ncsc1CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCC(C)CC1 ZINC001304076270 1067120498 /nfs/dbraw/zinc/12/04/98/1067120498.db2.gz LFMXPUCJIGFFRT-UHFFFAOYSA-N 0 3 454.604 3.059 20 0 JGADHN Cc1occc1CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccs1)N1CCCC1 ZINC001304082174 1067128755 /nfs/dbraw/zinc/12/87/55/1067128755.db2.gz WMSOHPRJHSVGKB-LPHOPBHVSA-N 0 3 492.671 3.325 20 0 JGADHN CC(C)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(F)(F)F)CC1)N1CCCC1 ZINC001302522894 1067142847 /nfs/dbraw/zinc/14/28/47/1067142847.db2.gz GGWDYTMKFUQQSA-RTBURBONSA-N 0 3 491.624 3.469 20 0 JGADHN CS[C@H](C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001302537027 1067169211 /nfs/dbraw/zinc/16/92/11/1067169211.db2.gz UZTNJWLWUSVJCJ-HXUWFJFHSA-N 0 3 486.686 3.447 20 0 JGADHN Cc1c(Cl)cccc1Cn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1C(C)(C)C ZINC001304133737 1067171938 /nfs/dbraw/zinc/17/19/38/1067171938.db2.gz YADTXSHGZHVNPP-FQEVSTJZSA-N 0 3 459.038 3.329 20 0 JGADHN Cc1c(Cl)cccc1NC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(C)C)CC1 ZINC001304133711 1067172042 /nfs/dbraw/zinc/17/20/42/1067172042.db2.gz XIQFULRLZSINLJ-UHFFFAOYSA-N 0 3 485.036 3.447 20 0 JGADHN CS[C@H](C)Cn1c(-c2ccccc2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001302545231 1067178988 /nfs/dbraw/zinc/17/89/88/1067178988.db2.gz HMIRPIRUIPHNGV-JQVVWYNYSA-N 0 3 456.660 3.076 20 0 JGADHN CS[C@@H](C)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001302547821 1067183480 /nfs/dbraw/zinc/18/34/80/1067183480.db2.gz SOFJGPOOGJGJAG-KRWDZBQOSA-N 0 3 463.051 3.094 20 0 JGADHN Cc1cc(Cl)cc(C)c1O[C@@H](C)c1nnc(N2CC[C@@H](C(N)=O)C2)n1CCN1CCCCC1 ZINC001304141553 1067184167 /nfs/dbraw/zinc/18/41/67/1067184167.db2.gz QHXMDYZXMFBCKD-RBUKOAKNSA-N 0 3 475.037 3.486 20 0 JGADHN O=C(CCN1C(=O)CCc2cc(F)ccc21)N1CCCN(Cc2ccccc2)CCOCC1 ZINC001304164893 1067211845 /nfs/dbraw/zinc/21/18/45/1067211845.db2.gz BDYMTAIEJBDYHL-UHFFFAOYSA-N 0 3 453.558 3.246 20 0 JGADHN O=C([C@@H]1CC(=O)N(c2ccc(F)cc2F)C1)N1CCCN(Cc2ccccc2)CCOCC1 ZINC001304165416 1067212845 /nfs/dbraw/zinc/21/28/45/1067212845.db2.gz FYEVJFYVWYVDHB-HXUWFJFHSA-N 0 3 457.521 3.069 20 0 JGADHN CC(C)c1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1CCC(=O)Nc1ccccc1 ZINC001302573931 1067213195 /nfs/dbraw/zinc/21/31/95/1067213195.db2.gz ZIYIGICSILWZCM-UHFFFAOYSA-N 0 3 464.618 3.228 20 0 JGADHN CS[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCCC2)CC1)C(C)(C)C ZINC001302579623 1067217703 /nfs/dbraw/zinc/21/77/03/1067217703.db2.gz KXQPVTUKJAFXLJ-MJGOQNOKSA-N 0 3 486.752 3.121 20 0 JGADHN COCC(=O)N1CCCc2ccc(NC(=O)CCN3CCN(c4cccc(C)c4)CC3)cc21 ZINC001304172021 1067220164 /nfs/dbraw/zinc/22/01/64/1067220164.db2.gz SUSGEWNCQQDPLO-UHFFFAOYSA-N 0 3 450.583 3.071 20 0 JGADHN Cc1cc(C)cc(OCc2nnc(N3CCC[C@H]3C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001304178403 1067227701 /nfs/dbraw/zinc/22/77/01/1067227701.db2.gz IMDZHXLZNWOGIY-FYYLOGMGSA-N 0 3 468.646 3.405 20 0 JGADHN Cc1cc(C)cc(OCc2nnc(N3CCSC[C@H]3C)n2CCN2CCN(C)C(C)(C)C2)c1 ZINC001304182972 1067233548 /nfs/dbraw/zinc/23/35/48/1067233548.db2.gz FUYKJMKJWTWMPD-OAQYLSRUSA-N 0 3 472.703 3.442 20 0 JGADHN CN1CCN(C2CCN(C(=O)c3c(F)ccc(C(F)(F)F)c3Br)CC2)CC1 ZINC001302597034 1067233916 /nfs/dbraw/zinc/23/39/16/1067233916.db2.gz OSVWWDKMOFZISE-UHFFFAOYSA-N 0 3 452.290 3.459 20 0 JGADHN Cc1cc(-c2nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n2CCN(C)C(C)C)c2ccccc2n1 ZINC001304189546 1067239598 /nfs/dbraw/zinc/23/95/98/1067239598.db2.gz NORNRUJIGJSOKU-RTBURBONSA-N 0 3 472.659 3.400 20 0 JGADHN Cc1cc(-c2nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n2CCN(C)C(C)C)c2ccccc2n1 ZINC001304189534 1067239615 /nfs/dbraw/zinc/23/96/15/1067239615.db2.gz NORNRUJIGJSOKU-MOPGFXCFSA-N 0 3 472.659 3.400 20 0 JGADHN CC(C)c1nnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001302619946 1067251804 /nfs/dbraw/zinc/25/18/04/1067251804.db2.gz SSLRVESJJRBPSB-UHFFFAOYSA-N 0 3 477.698 3.311 20 0 JGADHN Cc1cccc(CN(C)c2nnc([C@H]3CCCO3)n2CCCN2CCC[C@H]2C(=O)N(C)C)c1 ZINC001304210561 1067254735 /nfs/dbraw/zinc/25/47/35/1067254735.db2.gz DOXIUTGNDVAHII-FCHUYYIVSA-N 0 3 454.619 3.017 20 0 JGADHN CC(C)c1nnc(N2CC[C@H](COCc3ccccc3)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001302627292 1067257496 /nfs/dbraw/zinc/25/74/96/1067257496.db2.gz IOJANNBHDDBYHI-QHCPKHFHSA-N 0 3 454.663 3.471 20 0 JGADHN CC(C)c1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1Cc1cccc(Br)n1 ZINC001302633124 1067262040 /nfs/dbraw/zinc/26/20/40/1067262040.db2.gz MDHDZAACHYAJDX-LJQANCHMSA-N 0 3 476.467 3.212 20 0 JGADHN Cc1cc(Cn2c(N3CCN(CCN(C)Cc4ccccc4)CC3)nnc2C(C)(C)C)no1 ZINC001304227260 1067265525 /nfs/dbraw/zinc/26/55/25/1067265525.db2.gz KFKKPKQFDQVFBU-UHFFFAOYSA-N 0 3 451.619 3.174 20 0 JGADHN Cc1ccc(C(=O)NC2CCN(c3nnc(C)n3CCN(C)Cc3ccccc3)CC2)s1 ZINC001304259499 1067293776 /nfs/dbraw/zinc/29/37/76/1067293776.db2.gz BLDYENHJIGTTBS-UHFFFAOYSA-N 0 3 452.628 3.487 20 0 JGADHN Cc1ccc([C@@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)CCc2nccs2)N(C)C)cc1 ZINC001304269910 1067304728 /nfs/dbraw/zinc/30/47/28/1067304728.db2.gz AZTFLVZPHXMXLC-HXUWFJFHSA-N 0 3 467.643 3.261 20 0 JGADHN Cc1ccc([C@@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)CC(=O)NC(C)(C)C)N2CCCC2)cc1 ZINC001304271089 1067306332 /nfs/dbraw/zinc/30/63/32/1067306332.db2.gz DQOTWARYBBDELJ-JOCHJYFZSA-N 0 3 495.672 3.011 20 0 JGADHN Cc1ccc([C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC3(CCCC3)C2)N(C)C)cc1 ZINC001304272725 1067308484 /nfs/dbraw/zinc/30/84/84/1067308484.db2.gz HTPWMFJFSMWWRX-CTNGQTDRSA-N 0 3 474.675 3.270 20 0 JGADHN Cc1noc(C)c1CN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccc(C)cc1)N(C)C ZINC001304274970 1067312141 /nfs/dbraw/zinc/31/21/41/1067312141.db2.gz OUWGWZDRDZZIKP-RTWAWAEBSA-N 0 3 451.575 3.082 20 0 JGADHN CC(C)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1Cc1cc(COC(C)(C)C)on1 ZINC001302690608 1067315979 /nfs/dbraw/zinc/31/59/79/1067315979.db2.gz UCJRTDWBZZKGPF-GOSISDBHSA-N 0 3 460.623 3.442 20 0 JGADHN CC(C)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CCc1cc(C(F)(F)F)ccn1 ZINC001302691033 1067316101 /nfs/dbraw/zinc/31/61/01/1067316101.db2.gz AWCRXMRYFIXMHA-QGZVFWFLSA-N 0 3 452.525 3.217 20 0 JGADHN Cc1ccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N(C)CC2CCOCC2)N2CCCC2)cc1 ZINC001304277327 1067316080 /nfs/dbraw/zinc/31/60/80/1067316080.db2.gz XHHPIYXDIWRCFK-HSZRJFAPSA-N 0 3 468.646 3.425 20 0 JGADHN Cc1ccc([C@H](Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C(F)(F)F)C2)N(C)C)cc1 ZINC001304277800 1067316613 /nfs/dbraw/zinc/31/66/13/1067316613.db2.gz FXKYWXMVZRYXBD-QYZOEREBSA-N 0 3 453.509 3.161 20 0 JGADHN Cc1ccc([C@@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCN(CC(C)C)C(=O)C2)N(C)C)cc1 ZINC001304277985 1067317136 /nfs/dbraw/zinc/31/71/36/1067317136.db2.gz HQRBSRIMMOFBNW-DHIUTWEWSA-N 0 3 468.646 3.088 20 0 JGADHN CC(C)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CCCNc1ccc(C(F)(F)F)cn1 ZINC001302692591 1067318064 /nfs/dbraw/zinc/31/80/64/1067318064.db2.gz LXUYYGXDTPSZMZ-SFHVURJKSA-N 0 3 481.567 3.476 20 0 JGADHN CSC[C@H]1CCCN1c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCN(C)C(C)(C)C1 ZINC001302695630 1067321299 /nfs/dbraw/zinc/32/12/99/1067321299.db2.gz HTUYPUGBKCSBBP-QGZVFWFLSA-N 0 3 496.523 3.394 20 0 JGADHN CSC[C@@H]1CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H](C)N(C)Cc1ccccc1 ZINC001302708179 1067330099 /nfs/dbraw/zinc/33/00/99/1067330099.db2.gz VRZUJCCRVFQIQA-FCEUIQTBSA-N 0 3 491.727 3.423 20 0 JGADHN Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CC(=O)N(CCOc4ccccc4Cl)C3)C2)cc1 ZINC001302723898 1067339074 /nfs/dbraw/zinc/33/90/74/1067339074.db2.gz NTQCFJYEICEKBX-RTWAWAEBSA-N 0 3 455.986 3.266 20 0 JGADHN CC(C)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCCC[C@@H]2C)CC1 ZINC001302762180 1067363672 /nfs/dbraw/zinc/36/36/72/1067363672.db2.gz PXJOPQBOCCUYIO-FPOVZHCZSA-N 0 3 451.681 3.317 20 0 JGADHN CC(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(C)C)CC1)N1CCCC1 ZINC001302762301 1067363806 /nfs/dbraw/zinc/36/38/06/1067363806.db2.gz QCDNNEKEUPUHEB-RTWAWAEBSA-N 0 3 451.681 3.173 20 0 JGADHN Cc1ccc(-c2nnc(N3CCC(S(C)(=O)=O)CC3)n2CCN(C)C(C)C)cc1Br ZINC001304316691 1067364190 /nfs/dbraw/zinc/36/41/90/1067364190.db2.gz NSKVIZXFQXUMLL-UHFFFAOYSA-N 0 3 498.491 3.370 20 0 JGADHN CC(C)[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCC[C@@H]2C)CCO1 ZINC001302769351 1067367780 /nfs/dbraw/zinc/36/77/80/1067367780.db2.gz GWKIMOQFXGLSOK-RXVVDRJESA-N 0 3 475.037 3.207 20 0 JGADHN CC(C)[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CCS1 ZINC001302775942 1067373182 /nfs/dbraw/zinc/37/31/82/1067373182.db2.gz CFRMOFJCSDOPKR-NJYVYQBISA-N 0 3 478.707 3.040 20 0 JGADHN Cc1ccc(-c2nnc(N3CCN(CCOC(C)C)CC3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)o1 ZINC001304325473 1067374364 /nfs/dbraw/zinc/37/43/64/1067374364.db2.gz VIYQFPRZCIYLHR-FGZHOGPDSA-N 0 3 488.677 3.281 20 0 JGADHN Cc1ccc([C@@H]2CCCN2c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccccc2)N(C)C)o1 ZINC001304334539 1067381043 /nfs/dbraw/zinc/38/10/43/1067381043.db2.gz ZHBUOVRLRNWIQI-GIVPXCGWSA-N 0 3 486.642 3.434 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N(C)CC3COC(C)(C)OC3)n2CCN2CCC[C@H]2C)cc1C ZINC001304375478 1067415805 /nfs/dbraw/zinc/41/58/05/1067415805.db2.gz MQXNHJJNQDSAHY-HXUWFJFHSA-N 0 3 484.645 3.467 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N(C)C[C@H]3CCCO3)n2CCN2CCC[C@@H](C)C2)cc1C ZINC001304375786 1067416178 /nfs/dbraw/zinc/41/61/78/1067416178.db2.gz PUJJDXCIIFGUTR-XMSQKQJNSA-N 0 3 454.619 3.494 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCN(CC(C)C)C(=O)[C@H]3C)n2CCN2CCCCC2)cc1C ZINC001304382865 1067431982 /nfs/dbraw/zinc/43/19/82/1067431982.db2.gz IRIHGWCGTINPBK-JOCHJYFZSA-N 0 3 495.672 3.326 20 0 JGADHN CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F ZINC001302853896 1067438213 /nfs/dbraw/zinc/43/82/13/1067438213.db2.gz ZDSIEBVLMPRQKA-MQSCRBSSSA-N 0 3 450.501 3.311 20 0 JGADHN Cc1ccc(OCc2nnc(N3CC[C@@H](OCC(C)C)C3)n2CCN2CCN(C)C(C)(C)C2)cc1 ZINC001304410467 1067476595 /nfs/dbraw/zinc/47/65/95/1067476595.db2.gz FNEHTIYTTGMNAU-XMMPIXPASA-N 0 3 484.689 3.443 20 0 JGADHN CC(C)Cc1nnc(N2CCC(N3CCCNC3=O)CC2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001302896235 1067476858 /nfs/dbraw/zinc/47/68/58/1067476858.db2.gz FIBYBZBFFDRWTK-JOCHJYFZSA-N 0 3 471.625 3.303 20 0 JGADHN C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CCN2CCN(C)C(C)(C)C2)C[C@H](C)O1 ZINC001302898298 1067479550 /nfs/dbraw/zinc/47/95/50/1067479550.db2.gz AKAIIWJYOWZSBO-KDURUIRLSA-N 0 3 477.053 3.150 20 0 JGADHN CC(C)Cc1nnc(N2CCC(NC(=O)C3CC3)CC2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001302898734 1067480517 /nfs/dbraw/zinc/48/05/17/1067480517.db2.gz BPLILAQICFZTMP-QFIPXVFZSA-N 0 3 456.610 3.414 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(C(C)C)CC3)n2CCCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC001304417878 1067490852 /nfs/dbraw/zinc/49/08/52/1067490852.db2.gz GGEUAPWYEQDFKN-GOTSBHOMSA-N 0 3 470.662 3.195 20 0 JGADHN CC(C)Cc1nnc(N2CCc3c(F)ccc(F)c3C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001302908538 1067493585 /nfs/dbraw/zinc/49/35/85/1067493585.db2.gz SFAABPMKDJUHEK-JOCHJYFZSA-N 0 3 474.600 3.260 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(C[C@H]4CCOC4)CC3)n2CC(F)(F)F)cc1C ZINC001304420367 1067495865 /nfs/dbraw/zinc/49/58/65/1067495865.db2.gz VABJFVJHALVGOS-GOSISDBHSA-N 0 3 453.509 3.195 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(CC(C)C)CC3)n2CCN2CCOC(C)(C)C2)cc1C ZINC001304420956 1067496691 /nfs/dbraw/zinc/49/66/91/1067496691.db2.gz XXXGDYFJITUWDG-UHFFFAOYSA-N 0 3 484.689 3.363 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(CC(C)C)CC3)n2Cc2ncnn2C(C)(C)C)cc1 ZINC001304420979 1067496702 /nfs/dbraw/zinc/49/67/02/1067496702.db2.gz YMGLMGADHPFKEQ-UHFFFAOYSA-N 0 3 466.634 3.338 20 0 JGADHN CC(C)Cc1nnc(N2CCC[C@H](CN3CCC(C)CC3)C2)n1CC1(S(C)(=O)=O)CCC1 ZINC001302919239 1067500869 /nfs/dbraw/zinc/50/08/69/1067500869.db2.gz JOOZZKPNJBBEEI-OAQYLSRUSA-N 0 3 465.708 3.392 20 0 JGADHN CC(C)Cc1nnc(N2CCC[C@@H](CN3CCOCC3)C2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001302938529 1067512292 /nfs/dbraw/zinc/51/22/92/1067512292.db2.gz SDGZQFGFJGRHON-XUZZJYLKSA-N 0 3 472.653 3.467 20 0 JGADHN FC(F)C(F)(F)COCCn1c(-c2ccccc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001302945892 1067519152 /nfs/dbraw/zinc/51/91/52/1067519152.db2.gz VWELRNWXYIZGNH-UHFFFAOYSA-N 0 3 471.499 3.163 20 0 JGADHN Cc1cccc(C(=O)NCCn2c(N3CCN(C4CCOCC4)C[C@@H]3C)nnc2C(C)(C)C)c1 ZINC001304442701 1067524304 /nfs/dbraw/zinc/52/43/04/1067524304.db2.gz MBUUUSNZCHASMY-FQEVSTJZSA-N 0 3 468.646 3.004 20 0 JGADHN Cc1cccc(C(=O)NCCn2c(Cc3ccsc3)nnc2N2CCN(CC(C)C)CC2)c1 ZINC001304444026 1067526122 /nfs/dbraw/zinc/52/61/22/1067526122.db2.gz ZYDUTVSYGNGFLM-UHFFFAOYSA-N 0 3 466.655 3.447 20 0 JGADHN Cc1cccc(-c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2CC[C@H](C)N(C)Cc2ccccc2)n1 ZINC001304453473 1067534875 /nfs/dbraw/zinc/53/48/75/1067534875.db2.gz YVAJKXXZFREDRF-RBBKRZOGSA-N 0 3 482.654 3.182 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1Cc1ccc(OC(F)F)c(F)c1 ZINC001302964969 1067535393 /nfs/dbraw/zinc/53/53/93/1067535393.db2.gz LUAZFRGNMJKZKB-SFHVURJKSA-N 0 3 467.536 3.424 20 0 JGADHN CC(C)Cc1nnc(N2CCO[C@](C)(c3cnn(C)c3)C2)n1C[C@H](c1cccs1)N(C)C ZINC001302971503 1067539839 /nfs/dbraw/zinc/53/98/39/1067539839.db2.gz FBLSRXRXCFHUTE-XXBNENTESA-N 0 3 457.648 3.327 20 0 JGADHN CC(C)Cc1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001302971675 1067539880 /nfs/dbraw/zinc/53/98/80/1067539880.db2.gz GMWAJCAJGNRMAW-CPJSRVTESA-N 0 3 462.683 3.061 20 0 JGADHN CC(C)CC[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC001303002775 1067560382 /nfs/dbraw/zinc/56/03/82/1067560382.db2.gz HAEOLMLCHARMEU-BAWHURIHSA-N 0 3 462.683 3.304 20 0 JGADHN Cc1cccc(OCc2nnc(N3CCN(CCC(C)(C)C)CC3)n2C[C@]2(O)CCO[C@H]2C)c1 ZINC001304511353 1067586786 /nfs/dbraw/zinc/58/67/86/1067586786.db2.gz ACRQOHMVHXJPNJ-HFZDXXHNSA-N 0 3 471.646 3.264 20 0 JGADHN Cc1ccccc1-c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCCCOC(C)C ZINC001304534890 1067605453 /nfs/dbraw/zinc/60/54/53/1067605453.db2.gz JQFDVYPPHQIHPD-QHCPKHFHSA-N 0 3 468.646 3.202 20 0 JGADHN Cc1ccccc1Cc1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCCC1 ZINC001304548184 1067617188 /nfs/dbraw/zinc/61/71/88/1067617188.db2.gz SPVMWUSLJKOKDH-OAQYLSRUSA-N 0 3 459.660 3.065 20 0 JGADHN Cc1ccccc1Cc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCCC1 ZINC001304548183 1067617217 /nfs/dbraw/zinc/61/72/17/1067617217.db2.gz SPVMWUSLJKOKDH-NRFANRHFSA-N 0 3 459.660 3.065 20 0 JGADHN CC(C)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001303085956 1067619072 /nfs/dbraw/zinc/61/90/72/1067619072.db2.gz BXTYLWNMZGTLGJ-PCCBWWKXSA-N 0 3 476.666 3.253 20 0 JGADHN Cc1ccccc1Cc1nnc(N2CC(=O)N(C)C[C@@H]2C)n1C[C@@H](c1cccs1)N(C)C ZINC001304550532 1067620147 /nfs/dbraw/zinc/62/01/47/1067620147.db2.gz XTMUOCBKZVLYPB-ICSRJNTNSA-N 0 3 452.628 3.209 20 0 JGADHN Cc1ccccc1Cc1nnc(N2CCCC2(C)C)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001304556325 1067625197 /nfs/dbraw/zinc/62/51/97/1067625197.db2.gz JFLRYLJHGCPNDB-QFIPXVFZSA-N 0 3 452.647 3.499 20 0 JGADHN Cc1ccccc1Cc1nnc(N2CCC[C@@H](CN3CCCC[C@H]3C)C2)n1CCS(C)(=O)=O ZINC001304556777 1067625676 /nfs/dbraw/zinc/62/56/76/1067625676.db2.gz NUXKCQTYTMZACL-YADHBBJMSA-N 0 3 473.687 3.313 20 0 JGADHN Cc1ccccc1CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@H](C)C[C@@H](C)C1 ZINC001304567265 1067635420 /nfs/dbraw/zinc/63/54/20/1067635420.db2.gz GIYBVZGTALRINF-TXTKFYIRSA-N 0 3 473.687 3.493 20 0 JGADHN Cc1ccccc1N1CCN(c2nnc(C(C)(C)C)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001304570217 1067638425 /nfs/dbraw/zinc/63/84/25/1067638425.db2.gz AYGBYAZUFQPZMP-QHCPKHFHSA-N 0 3 481.689 3.153 20 0 JGADHN Cc1ccccc1O[C@H](C)Cn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1C(C)(C)C ZINC001304575275 1067644274 /nfs/dbraw/zinc/64/42/74/1067644274.db2.gz YUQSZCNTKFQEQR-RTWAWAEBSA-N 0 3 468.646 3.094 20 0 JGADHN CC1=CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(N(C)C)CCSC2)C1 ZINC001304584153 1067653154 /nfs/dbraw/zinc/65/31/54/1067653154.db2.gz JGDALRZBDJTGRX-QHCPKHFHSA-N 0 3 475.062 3.455 20 0 JGADHN Cc1cnc([C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CCC(C)(C)C)CC2)s1 ZINC001304609403 1067676874 /nfs/dbraw/zinc/67/68/74/1067676874.db2.gz ISANDAVLZMHFOJ-WMZOPIPTSA-N 0 3 459.664 3.356 20 0 JGADHN Cc1csc(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCN(CC(C)C)CC2)n1 ZINC001304629940 1067700693 /nfs/dbraw/zinc/70/06/93/1067700693.db2.gz QLXPUPSZYIDEOM-UHFFFAOYSA-N 0 3 488.061 3.453 20 0 JGADHN CC(C)Cn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001303166499 1067702001 /nfs/dbraw/zinc/70/20/01/1067702001.db2.gz FAOXRAXCVKAIDJ-UHFFFAOYSA-N 0 3 451.619 3.406 20 0 JGADHN Cc1nc(C)c(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CCC(C)(C)C)CC2)s1 ZINC001304642412 1067711223 /nfs/dbraw/zinc/71/12/23/1067711223.db2.gz MYEFSIVVESCEGG-SFHVURJKSA-N 0 3 459.664 3.103 20 0 JGADHN CC(C)CN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(c2)[C@H](C)[C@@H](C)O3)CC1 ZINC001303178587 1067711913 /nfs/dbraw/zinc/71/19/13/1067711913.db2.gz PUUOVCSTKKEFLI-RTBURBONSA-N 0 3 454.619 3.127 20 0 JGADHN CC(C)CN1CCC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccc2F)C1 ZINC001303179075 1067712924 /nfs/dbraw/zinc/71/29/24/1067712924.db2.gz PYXMKPLTXRBTSY-TZIWHRDSSA-N 0 3 477.650 3.324 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccc(Br)s3)n2CCN2CCOC[C@H]2C)CC1 ZINC001303183156 1067715655 /nfs/dbraw/zinc/71/56/55/1067715655.db2.gz IHCOOVPNBZNMOC-QGZVFWFLSA-N 0 3 497.507 3.268 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CC=CCC2)CC1 ZINC001303183818 1067716515 /nfs/dbraw/zinc/71/65/15/1067716515.db2.gz GDVGIZFICPMHAH-HXUWFJFHSA-N 0 3 457.644 3.483 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN2CCOC(C)(C)C2)CC1 ZINC001303183859 1067716833 /nfs/dbraw/zinc/71/68/33/1067716833.db2.gz HETFLPRNRVORBD-NRFANRHFSA-N 0 3 488.652 3.446 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN2CCOC(C)(C)C2)CC1 ZINC001303183862 1067716960 /nfs/dbraw/zinc/71/69/60/1067716960.db2.gz HETFLPRNRVORBD-OAQYLSRUSA-N 0 3 488.652 3.446 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C[C@H]2NC(=O)CC2(C)C)CC1 ZINC001303184746 1067718376 /nfs/dbraw/zinc/71/83/76/1067718376.db2.gz NVJSHTCBDLPEIU-WIYYLYMNSA-N 0 3 472.609 3.250 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCc2cccnc2)CC1 ZINC001303184766 1067718572 /nfs/dbraw/zinc/71/85/72/1067718572.db2.gz OXEYJMDWYMUAKC-UHFFFAOYSA-N 0 3 458.408 3.451 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccc(Br)s3)n2C[C@@H](C)N2CCOCC2)CC1 ZINC001303184882 1067718920 /nfs/dbraw/zinc/71/89/20/1067718920.db2.gz XRSPJYDTWPBUEF-QGZVFWFLSA-N 0 3 497.507 3.268 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCOC(F)(F)F)CC1 ZINC001303185201 1067719621 /nfs/dbraw/zinc/71/96/21/1067719621.db2.gz VZOVKMHKQCSWIB-UHFFFAOYSA-N 0 3 489.564 3.053 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@]2(O)CCO[C@@H]2C)CC1 ZINC001303185878 1067721685 /nfs/dbraw/zinc/72/16/85/1067721685.db2.gz PCQCRDZNMPEHFR-ZHRRBRCNSA-N 0 3 496.425 3.165 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccccn3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1=O ZINC001303188034 1067722068 /nfs/dbraw/zinc/72/20/68/1067722068.db2.gz BDDJIEPSQKVJDQ-JOCHJYFZSA-N 0 3 465.577 3.087 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2cccs2)N(C)C)[C@H](C)C1=O ZINC001303188043 1067722399 /nfs/dbraw/zinc/72/23/99/1067722399.db2.gz BKMKVPRBFLHPSZ-MJGOQNOKSA-N 0 3 455.632 3.331 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccc(F)cc2)N(C)C)[C@@H](C)C1=O ZINC001303191542 1067725636 /nfs/dbraw/zinc/72/56/36/1067725636.db2.gz CQQVOGAITMNPAS-XKCSPQBFSA-N 0 3 486.636 3.307 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccc(F)cc2)N(C)C)[C@H](C)C1=O ZINC001303191540 1067725656 /nfs/dbraw/zinc/72/56/56/1067725656.db2.gz CQQVOGAITMNPAS-LSWJPFSZSA-N 0 3 486.636 3.307 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@H]3CCCCO3)n2CCN(C)Cc2ccc(F)cc2)[C@@H](C)C1=O ZINC001303192605 1067727061 /nfs/dbraw/zinc/72/70/61/1067727061.db2.gz WRROGCXAQWQAAQ-NZQKXSOJSA-N 0 3 486.636 3.484 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC(C)(F)F)CC1 ZINC001303195345 1067728357 /nfs/dbraw/zinc/72/83/57/1067728357.db2.gz AMKPMUXPHZPPJE-GOSISDBHSA-N 0 3 486.608 3.410 20 0 JGADHN CC(C)CN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCNC(=O)C(C)C)CC1 ZINC001303195511 1067728820 /nfs/dbraw/zinc/72/88/20/1067728820.db2.gz CJWKSKQCXIPOND-UHFFFAOYSA-N 0 3 461.054 3.463 20 0 JGADHN CC(C)CN1CCN(c2nnc(Cc3ccncc3)n2CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC001303196903 1067731171 /nfs/dbraw/zinc/73/11/71/1067731171.db2.gz PCHIMVPOPUBKGY-UHFFFAOYSA-N 0 3 471.650 3.299 20 0 JGADHN CC(C)CN1CCN(c2nnc(CSc3ccc(Cl)cc3)n2Cc2ncn(C)n2)CC1 ZINC001303198635 1067734212 /nfs/dbraw/zinc/73/42/12/1067734212.db2.gz HMEJQVMUXKPHDF-UHFFFAOYSA-N 0 3 461.039 3.179 20 0 JGADHN CC(C)CN1CCN(c2nnc(COc3ccccc3F)n2CCN(C)CC(F)(F)F)CC1 ZINC001303198999 1067734857 /nfs/dbraw/zinc/73/48/57/1067734857.db2.gz RNYYNZUDGPACOQ-UHFFFAOYSA-N 0 3 472.531 3.268 20 0 JGADHN CC(C)CN1CCO[C@@H](Cn2c(C(C)C)nnc2N2CCC(CCCN3CCOCC3)CC2)C1 ZINC001303201447 1067737198 /nfs/dbraw/zinc/73/71/98/1067737198.db2.gz LCNZXWGGQMLBSI-XMMPIXPASA-N 0 3 476.710 3.087 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2cccc(CO)c2)CC1 ZINC001303201684 1067737414 /nfs/dbraw/zinc/73/74/14/1067737414.db2.gz OQSWYZSAVOSCFU-ZRZAMGCNSA-N 0 3 498.672 3.367 20 0 JGADHN Cc1nc(Cc2nnc(N3CCC[C@H](OCC(F)(F)F)C3)n2CCN2CC=CCC2)cs1 ZINC001304669713 1067737766 /nfs/dbraw/zinc/73/77/66/1067737766.db2.gz BWUSVTDCYDQJEE-SFHVURJKSA-N 0 3 470.565 3.443 20 0 JGADHN CC(C)CN1CCO[C@@H](Cn2c(N3CCN(CCOc4ccccc4)CC3)nnc2C(C)(C)C)C1 ZINC001303208732 1067746978 /nfs/dbraw/zinc/74/69/78/1067746978.db2.gz YDHIRANHAHEFLI-XMMPIXPASA-N 0 3 484.689 3.133 20 0 JGADHN Cc1nc(CN2CCCN(c3nnc(CC(C)C)n3CCN(C)Cc3ccccc3)CC2)no1 ZINC001304688367 1067761428 /nfs/dbraw/zinc/76/14/28/1067761428.db2.gz TVMMPRNOOLIMPE-UHFFFAOYSA-N 0 3 466.634 3.012 20 0 JGADHN Cc1nccn1CCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)C)CC1 ZINC001304704039 1067776278 /nfs/dbraw/zinc/77/62/78/1067776278.db2.gz BNBNNHPGHQNDRX-UHFFFAOYSA-N 0 3 475.439 3.172 20 0 JGADHN CC(C)N(C)C(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2ccsc2)N(C)C)CC1 ZINC001303252273 1067778539 /nfs/dbraw/zinc/77/85/39/1067778539.db2.gz PJPXPFRUUSLVLB-NRFANRHFSA-N 0 3 484.674 3.126 20 0 JGADHN CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1CNC(=O)CC1(N2CCOCC2)CCCC1 ZINC001303268029 1067795286 /nfs/dbraw/zinc/79/52/86/1067795286.db2.gz HAQACTKQFZEWOW-JOCHJYFZSA-N 0 3 457.615 3.500 20 0 JGADHN CC(C)N(C)CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC001303272037 1067801191 /nfs/dbraw/zinc/80/11/91/1067801191.db2.gz XTCKYHWZJKCPNT-QZTJIDSGSA-N 0 3 460.648 3.035 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N(C)[C@@H]3CCC[C@H](C)C3)n2CCN2CCN(C)C(C)(C)C2)n1 ZINC001304741431 1067817884 /nfs/dbraw/zinc/81/78/84/1067817884.db2.gz VXEVESKKAHANAP-SIKLNZKXSA-N 0 3 456.683 3.181 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N(C)[C@H]3CCC[C@H](C)C3)n2CCN2CCN(C)C(C)(C)C2)n1 ZINC001304741432 1067817979 /nfs/dbraw/zinc/81/79/79/1067817979.db2.gz VXEVESKKAHANAP-UGKGYDQZSA-N 0 3 456.683 3.181 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N(C)C[C@H]3CCOC3)n2C[C@H](c2ccc(F)cc2)N(C)C)n1 ZINC001304744514 1067822698 /nfs/dbraw/zinc/82/26/98/1067822698.db2.gz WTXIJFLTHKJVFG-DENIHFKCSA-N 0 3 455.582 3.054 20 0 JGADHN CC(C)N(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCCCCC[C@H]21)C(C)C ZINC001303298255 1067823274 /nfs/dbraw/zinc/82/32/74/1067823274.db2.gz JVQFWMDYKWHABD-PWRODBHTSA-N 0 3 451.681 3.458 20 0 JGADHN CC(C)N1CCC[C@H](Cn2c(CC3CCCC3)nnc2N2CCC[C@@H](S(C)(=O)=O)C2)C1 ZINC001303303935 1067830063 /nfs/dbraw/zinc/83/00/63/1067830063.db2.gz AYFOWQVXQRLUQY-LEWJYISDSA-N 0 3 451.681 3.145 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N3CCC(CC(F)(F)F)CC3)n2CCN2CCN(C)C(C)(C)C2)n1 ZINC001304752027 1067832391 /nfs/dbraw/zinc/83/23/91/1067832391.db2.gz PANDUDJAOMOQSC-UHFFFAOYSA-N 0 3 496.626 3.335 20 0 JGADHN CC(C)N1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCN2CCOC[C@H]2C)CC1 ZINC001303310906 1067839353 /nfs/dbraw/zinc/83/93/53/1067839353.db2.gz MISMJVMJSGMNMC-QGZVFWFLSA-N 0 3 495.441 3.098 20 0 JGADHN CC(C)N1CCN([C@H]2CCN(c3nnc(Cc4ccncc4)n3CCSC(F)(F)F)C2)CC1 ZINC001303317932 1067847463 /nfs/dbraw/zinc/84/74/63/1067847463.db2.gz FQVBFMUDICDYQG-IBGZPJMESA-N 0 3 483.608 3.122 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N3CCN(C(C)(C)C)CC3)n2Cc2ccc(C(C)(C)O)cc2)n1 ZINC001304761569 1067848345 /nfs/dbraw/zinc/84/83/45/1067848345.db2.gz ZHJWRNOODZXEBQ-UHFFFAOYSA-N 0 3 465.646 3.336 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N3CCN(CC(C)C)CC3)n2C[C@](C)(O)C2CCCCC2)n1 ZINC001304761684 1067848692 /nfs/dbraw/zinc/84/86/92/1067848692.db2.gz YCBYCIDCHHTTTM-VWLOTQADSA-N 0 3 457.667 3.249 20 0 JGADHN CC(C)N1CCN([C@@H]2CCN(c3nnc(CC(C)(C)C)n3C[C@@H]3CCN(CC(F)(F)F)C3)C2)CC1 ZINC001303318685 1067850976 /nfs/dbraw/zinc/85/09/76/1067850976.db2.gz YIYMBSLRDANRGO-NHCUHLMSSA-N 0 3 499.670 3.356 20 0 JGADHN CC(C)NC(=O)c1nnc(N(C)CCc2cccs2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001303340499 1067868612 /nfs/dbraw/zinc/86/86/12/1067868612.db2.gz URQQHRIXHMADDH-JOCHJYFZSA-N 0 3 496.681 3.448 20 0 JGADHN CC(C)NC(=O)c1nnc(N(Cc2cccs2)C[C@H]2CCCO2)n1CCN1CCC[C@@H]1C ZINC001303347794 1067874818 /nfs/dbraw/zinc/87/48/18/1067874818.db2.gz SJAMKHLKZRPNLE-RBUKOAKNSA-N 0 3 460.648 3.148 20 0 JGADHN CC(C)NC(=O)c1nnc(N(Cc2cccs2)C[C@H]2CCCO2)n1CCN1CCC[C@H]1C ZINC001303347795 1067874916 /nfs/dbraw/zinc/87/49/16/1067874916.db2.gz SJAMKHLKZRPNLE-RTBURBONSA-N 0 3 460.648 3.148 20 0 JGADHN Cc1cccc(N2CCN(CCC(=O)N[C@H](c3nccn3C)c3ccc(F)c(F)c3)CC2)c1 ZINC001304784076 1067879432 /nfs/dbraw/zinc/87/94/32/1067879432.db2.gz PPSGEJAKZBPMQY-DEOSSOPVSA-N 0 3 453.537 3.425 20 0 JGADHN CC(C)NC(=O)c1nnc(N2C[C@@H](C)S[C@H](C)C2)n1CCCN1CCc2ccccc2C1 ZINC001303352972 1067879953 /nfs/dbraw/zinc/87/99/53/1067879953.db2.gz MLXRHXBPQMRONO-RTBURBONSA-N 0 3 456.660 3.195 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC001303401881 1067929726 /nfs/dbraw/zinc/92/97/26/1067929726.db2.gz GBPGZXPUCVTAGH-UHFFFAOYSA-N 0 3 493.443 3.340 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1CCOc1ccc(F)c(F)c1 ZINC001303410647 1067937313 /nfs/dbraw/zinc/93/73/13/1067937313.db2.gz XHYQPSOVODAZJX-UHFFFAOYSA-N 0 3 478.588 3.332 20 0 JGADHN Cc1cc(CN2CCN(c3nnc(CC(C)C)n3C[C@@H](c3cccs3)N(C)C)CC2)on1 ZINC001304899841 1067943676 /nfs/dbraw/zinc/94/36/76/1067943676.db2.gz JBGCRJZGCDUNTJ-FQEVSTJZSA-N 0 3 457.648 3.460 20 0 JGADHN CC(C)NC(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001303427763 1067952708 /nfs/dbraw/zinc/95/27/08/1067952708.db2.gz RERYSOZDIGWGRM-HXUWFJFHSA-N 0 3 488.080 3.118 20 0 JGADHN C[C@@H]1C[C@H](C)CN(C(C)(C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCCCCC2)C1 ZINC001304913072 1067957306 /nfs/dbraw/zinc/95/73/06/1067957306.db2.gz SRZXSTQJMMALPR-ZCNNSNEGSA-N 0 3 451.681 3.317 20 0 JGADHN C[C@@H]1C[C@H](C)CN(C(C)(C)Cn2c(Cc3ccccn3)nnc2N(CCS(C)(=O)=O)C2CC2)C1 ZINC001304914306 1067958299 /nfs/dbraw/zinc/95/82/99/1067958299.db2.gz YPYCHBWKBNGBJR-BGYRXZFFSA-N 0 3 488.702 3.034 20 0 JGADHN CC(C)NC(=O)CN(C)c1nnc(Cc2ccsc2)n1C[C@H](c1ccco1)N1CCCC1 ZINC001303441724 1067963959 /nfs/dbraw/zinc/96/39/59/1067963959.db2.gz XRIHUFUDYQFXIS-LJQANCHMSA-N 0 3 456.616 3.321 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCN(C3CCC(C)CC3)CC2)n1C[C@](C)(O)c1cccs1 ZINC001304978543 1068016889 /nfs/dbraw/zinc/01/68/89/1068016889.db2.gz DQSUBXMPUUPVBN-MORLXBONSA-N 0 3 474.675 3.086 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCN(C3CCC(C)CC3)CC2)n1CCc1ccc(F)cc1 ZINC001304979266 1068017790 /nfs/dbraw/zinc/01/77/90/1068017790.db2.gz MSETZJQUFBPTRO-UHFFFAOYSA-N 0 3 456.610 3.499 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCN(C3CCC(C)CC3)CC2)n1CC(C)(C)c1ccccn1 ZINC001304979676 1068018234 /nfs/dbraw/zinc/01/82/34/1068018234.db2.gz UHMKXFSFPYLABF-UHFFFAOYSA-N 0 3 467.662 3.490 20 0 JGADHN CC(C)O[C@@]1(c2nnc(N3CCN(C4CCC(C)CC4)CC3)n2CCOCC(F)F)CCOC1 ZINC001304980484 1068019989 /nfs/dbraw/zinc/01/99/89/1068019989.db2.gz MVUITXPEVPVDAA-IMQCZEGASA-N 0 3 485.620 3.301 20 0 JGADHN CC(C)O[C@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@H](C)c2nccs2)CCOC1 ZINC001303502079 1068031343 /nfs/dbraw/zinc/03/13/43/1068031343.db2.gz LBUZUPQVWXGYEM-FDDCHVKYSA-N 0 3 462.664 3.499 20 0 JGADHN C[C@@H]1CCC[C@](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(OC(C)(C)C)CC2)(N(C)C)C1 ZINC001304989852 1068032058 /nfs/dbraw/zinc/03/20/58/1068032058.db2.gz SGZSYJVTEVQAFE-RNHFSVANSA-N 0 3 495.734 3.475 20 0 JGADHN C[C@@H](c1cccc(O)c1)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCC[C@H]1C ZINC001305014970 1068056007 /nfs/dbraw/zinc/05/60/07/1068056007.db2.gz IUAULBZCHRVGIW-DYXWJJEUSA-N 0 3 475.659 3.348 20 0 JGADHN C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCN1CCCC[C@H]1C ZINC001305015839 1068059234 /nfs/dbraw/zinc/05/92/34/1068059234.db2.gz FZCJINCMUCHWCJ-UXHICEINSA-N 0 3 499.685 3.469 20 0 JGADHN C[C@@H]1CCCCN1CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(CCS(C)(=O)=O)C1CC1 ZINC001305016633 1068059818 /nfs/dbraw/zinc/05/98/18/1068059818.db2.gz AAQPEYQCZOYOCA-CEMLEFRQSA-N 0 3 495.734 3.475 20 0 JGADHN C[C@@H]1CCCN(C(C)(C)Cn2c(Cc3ccsc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001305019896 1068067015 /nfs/dbraw/zinc/06/70/15/1068067015.db2.gz OBDGFIHWHSYGHW-IEBWSBKVSA-N 0 3 465.689 3.064 20 0 JGADHN C[C@@H](CS(C)(=O)=O)N(C)c1nnc(CC2CCCC2)n1CC(C)(C)N1CCC[C@H](C)C1 ZINC001305021296 1068069317 /nfs/dbraw/zinc/06/93/17/1068069317.db2.gz ULFKOYFEDAPCEY-OALUTQOASA-N 0 3 453.697 3.391 20 0 JGADHN C[C@H]1CCCCN1CCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001305021598 1068070169 /nfs/dbraw/zinc/07/01/69/1068070169.db2.gz YEXWEWDKOPWERB-PXNSSMCTSA-N 0 3 497.612 3.434 20 0 JGADHN C[C@H]1CCCN(C(C)(C)Cn2c(-c3ccccc3F)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001305022836 1068074880 /nfs/dbraw/zinc/07/48/80/1068074880.db2.gz OEFIAVRKHKTTGC-ROUUACIJSA-N 0 3 463.623 3.218 20 0 JGADHN C[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)N1CCC[C@@H](C)C1 ZINC001305023973 1068077221 /nfs/dbraw/zinc/07/72/21/1068077221.db2.gz JKISXKVZTINDNT-MBOZVWFJSA-N 0 3 466.051 3.342 20 0 JGADHN C[C@@H]1CCCN(C(C)(C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001305024559 1068078860 /nfs/dbraw/zinc/07/88/60/1068078860.db2.gz ZOVMFCLBIUUALT-SJLPKXTDSA-N 0 3 481.066 3.127 20 0 JGADHN CC(C)OCCn1c(-c2ccccc2Br)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001303560386 1068084773 /nfs/dbraw/zinc/08/47/73/1068084773.db2.gz FIIGXLWAAMVRHQ-GOSISDBHSA-N 0 3 478.435 3.291 20 0 JGADHN C[C@H]1CCCN(CCn2c(C(=O)N3CCCC3)nnc2N(C)CCCOc2ccc(F)cc2)C1 ZINC001305044309 1068101299 /nfs/dbraw/zinc/10/12/99/1068101299.db2.gz ZIXLUGPBUXZGGA-FQEVSTJZSA-N 0 3 472.609 3.290 20 0 JGADHN CC(C)SCCn1c([C@@H]2CCCOC2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001303579403 1068104116 /nfs/dbraw/zinc/10/41/16/1068104116.db2.gz VHNOIJGOKZAMHL-HXUWFJFHSA-N 0 3 461.680 3.111 20 0 JGADHN C[C@@H]1CCCN1CCn1c(C(=O)Nc2ccccn2)nnc1N(C)CCc1ccccc1F ZINC001305058173 1068120300 /nfs/dbraw/zinc/12/03/00/1068120300.db2.gz FSKXZFKXIYLLEQ-GOSISDBHSA-N 0 3 451.550 3.228 20 0 JGADHN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)c1nnc(Cc2ccsc2)n1CCN1CC=CCC1 ZINC001303600389 1068128471 /nfs/dbraw/zinc/12/84/71/1068128471.db2.gz HNGTZHSHUUOWNG-SFHVURJKSA-N 0 3 486.667 3.037 20 0 JGADHN C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(F)(F)F)C1)N1CCC(C)CC1 ZINC001305063212 1068131290 /nfs/dbraw/zinc/13/12/90/1068131290.db2.gz FPFKWXYOAPSHAC-ZWKOTPCHSA-N 0 3 456.557 3.413 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCO[C@H](c3ccccc3F)C2)n1C[C@H](C)N1CCC(C)CC1 ZINC001305063364 1068132172 /nfs/dbraw/zinc/13/21/72/1068132172.db2.gz HQGWTNFSOJXKKA-UGKGYDQZSA-N 0 3 472.609 3.254 20 0 JGADHN C[C@H](c1cccc(O)c1)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1cccs1)N(C)C ZINC001303602709 1068133157 /nfs/dbraw/zinc/13/31/57/1068133157.db2.gz OZOXPKKHLFYMBC-AYOQOUSVSA-N 0 3 454.600 3.497 20 0 JGADHN C[C@H](c1ccccc1)N(C)C(=O)CN(C)c1nnc(Cc2ccccn2)n1CCN1CC=CCC1 ZINC001303606738 1068141543 /nfs/dbraw/zinc/14/15/43/1068141543.db2.gz PWGJORWARYPCHN-JOCHJYFZSA-N 0 3 473.625 3.182 20 0 JGADHN CC1CCN(CCCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C2CCCCC2)CC1 ZINC001305102369 1068168420 /nfs/dbraw/zinc/16/84/20/1068168420.db2.gz RMKBOVZSXOXOOV-HXUWFJFHSA-N 0 3 451.681 3.461 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)n1CCN1CCC(C)CC1 ZINC001305106512 1068174753 /nfs/dbraw/zinc/17/47/53/1068174753.db2.gz KOCKGOYQEWHZFO-OXJNMPFZSA-N 0 3 457.450 3.168 20 0 JGADHN C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc3cccnc32)n1CCCN1CCC(C)CC1 ZINC001305107092 1068175857 /nfs/dbraw/zinc/17/58/57/1068175857.db2.gz YIWYKMREHYFXMM-FQEVSTJZSA-N 0 3 484.670 3.485 20 0 JGADHN C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](c1ccco1)N1CCCC1 ZINC001303651681 1068181061 /nfs/dbraw/zinc/18/10/61/1068181061.db2.gz CZLXXZOHRRYPBH-JPAWQOSXSA-N 0 3 472.634 3.327 20 0 JGADHN C[C@H](Cc1cccs1)Cn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1C(C)(C)C ZINC001303657844 1068189840 /nfs/dbraw/zinc/18/98/40/1068189840.db2.gz ARFZEJPFCSYFPF-LJQANCHMSA-N 0 3 458.676 3.260 20 0 JGADHN C[C@H](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[C@@H](F)C1)N1CCCCC1 ZINC001303661747 1068192842 /nfs/dbraw/zinc/19/28/42/1068192842.db2.gz AJBYUNMMSALEHR-OPYAIIAOSA-N 0 3 463.623 3.407 20 0 JGADHN C[C@H](CCn1c(-c2cnccn2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)N(C)Cc1ccccc1 ZINC001303666022 1068199357 /nfs/dbraw/zinc/19/93/57/1068199357.db2.gz WELSZPYATWIAIM-IRLDBZIGSA-N 0 3 497.669 3.049 20 0 JGADHN C[C@@H](CCn1c([C@H]2CCCO2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)N(C)Cc1ccccc1 ZINC001303668005 1068203022 /nfs/dbraw/zinc/20/30/22/1068203022.db2.gz WQSWRWSCDNVFOR-ACIOBRDBSA-N 0 3 489.686 3.444 20 0 JGADHN C[C@@H](CCn1c(CCCc2ccccc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)N1CCCCC1 ZINC001303668345 1068203031 /nfs/dbraw/zinc/20/30/31/1068203031.db2.gz ZESPFXICTHLAMP-GMAHTHKFSA-N 0 3 473.687 3.341 20 0 JGADHN C[C@@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1F)N1CCCCC1 ZINC001303668789 1068203543 /nfs/dbraw/zinc/20/35/43/1068203543.db2.gz PWSDVBFHPFPJOE-AZUAARDMSA-N 0 3 463.623 3.220 20 0 JGADHN COC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 ZINC001303669218 1068203856 /nfs/dbraw/zinc/20/38/56/1068203856.db2.gz FWZLUHFXWXHSDL-DENIHFKCSA-N 0 3 452.448 3.481 20 0 JGADHN C[C@H](CN(C)C(=O)OC(C)(C)C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001303673181 1068209826 /nfs/dbraw/zinc/20/98/26/1068209826.db2.gz ZNLHZYUVXYEOSQ-GOSISDBHSA-N 0 3 474.654 3.102 20 0 JGADHN C[C@@H](CN(C)C(=O)OC(C)(C)C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001303674006 1068211563 /nfs/dbraw/zinc/21/15/63/1068211563.db2.gz IWAHTMVHPFRTKM-RBUKOAKNSA-N 0 3 464.655 3.206 20 0 JGADHN CC(C)N1CCC[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCS[C@@H](C)C2)C1 ZINC001305141928 1068238056 /nfs/dbraw/zinc/23/80/56/1068238056.db2.gz CAXOETXLMLMFHJ-OALUTQOASA-N 0 3 477.700 3.411 20 0 JGADHN CC(C)[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS[C@H](C)C1)N1CCCC1 ZINC001305144663 1068244889 /nfs/dbraw/zinc/24/48/89/1068244889.db2.gz RAOFSFDNYHYACF-WIYYLYMNSA-N 0 3 477.700 3.411 20 0 JGADHN C[C@@H]1CN(c2nnc(C3CCC3)n2CCN2CCN(C)C(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC001305170904 1068282697 /nfs/dbraw/zinc/28/26/97/1068282697.db2.gz PMHDOXRUSPLQEH-LJQANCHMSA-N 0 3 475.682 3.017 20 0 JGADHN C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(CC2CC2)CC1)N(C)C(=O)OC(C)(C)C ZINC001303731326 1068286689 /nfs/dbraw/zinc/28/66/89/1068286689.db2.gz KPKJNMLYLQQXJG-LJQANCHMSA-N 0 3 469.634 3.051 20 0 JGADHN C[C@@H](Cn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1C(C)(C)C)c1ccc(F)cc1 ZINC001303739727 1068300156 /nfs/dbraw/zinc/30/01/56/1068300156.db2.gz VRELXYKLVODNBP-GHTZIAJQSA-N 0 3 456.610 3.261 20 0 JGADHN C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCN2CC=CCC2)C[C@@H](C(F)(F)F)O1 ZINC001305191748 1068313810 /nfs/dbraw/zinc/31/38/10/1068313810.db2.gz MBVZFRRERAVVCW-APWZRJJASA-N 0 3 453.484 3.426 20 0 JGADHN C[C@H](Cn1c(CCCc2ccccc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)CN1CCCCC1 ZINC001303753626 1068315207 /nfs/dbraw/zinc/31/52/07/1068315207.db2.gz NMYGYWVOMDEOHL-GMAHTHKFSA-N 0 3 473.687 3.199 20 0 JGADHN C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](c2ccccc2)N(C)C)CCCO1 ZINC001305211871 1068341672 /nfs/dbraw/zinc/34/16/72/1068341672.db2.gz URQMUHNXCKHFJE-QUCCMNQESA-N 0 3 468.627 3.188 20 0 JGADHN C[C@H](N1CCN(c2nnc(-c3cnccn3)n2C[C@@H](c2cccs2)N(C)C)CC1)C(F)(F)F ZINC001303789062 1068372061 /nfs/dbraw/zinc/37/20/61/1068372061.db2.gz QVUNVBMUKBDABO-RDJZCZTQSA-N 0 3 480.564 3.172 20 0 JGADHN C[C@H](N1CCN(c2nnc(CC3CCCC3)n2CCN2CCN(C)C(C)(C)C2)CC1)C(F)(F)F ZINC001303792777 1068377312 /nfs/dbraw/zinc/37/73/12/1068377312.db2.gz LRLIWBUZCHJWON-IBGZPJMESA-N 0 3 485.643 3.110 20 0 JGADHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCN2CC=CCC2)C1 ZINC001303794457 1068379795 /nfs/dbraw/zinc/37/97/95/1068379795.db2.gz BPJJMMILPUPDKR-PCCBWWKXSA-N 0 3 474.650 3.174 20 0 JGADHN C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)c2cccs2)n1C[C@@H](c1ccccc1)N(C)C ZINC001303805516 1068408892 /nfs/dbraw/zinc/40/88/92/1068408892.db2.gz ZCPJTVSPXZSLNO-LNLFQRSKSA-N 0 3 476.672 3.450 20 0 JGADHN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC2CCCCC2)n1C[C@H](c1ccccc1)N(C)C ZINC001303816400 1068428899 /nfs/dbraw/zinc/42/88/99/1068428899.db2.gz NOXIMCMVYBIPOV-WIYYLYMNSA-N 0 3 462.664 3.208 20 0 JGADHN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC2CCCC2)n1C[C@H](c1cccs1)N1CCCC1 ZINC001303817851 1068430762 /nfs/dbraw/zinc/43/07/62/1068430762.db2.gz UCENLLVKCUTFOF-IEBWSBKVSA-N 0 3 480.704 3.413 20 0 JGADHN CC(C)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2ccccc2)N(C)C)CC1 ZINC001303828309 1068448891 /nfs/dbraw/zinc/44/88/91/1068448891.db2.gz MXTYFPXMMWEFQX-GHTZIAJQSA-N 0 3 462.664 3.064 20 0 JGADHN CC(C)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccccc2)N(C)C)CC1 ZINC001303828311 1068448936 /nfs/dbraw/zinc/44/89/36/1068448936.db2.gz MXTYFPXMMWEFQX-NQIIRXRSSA-N 0 3 462.664 3.064 20 0 JGADHN CC[C@](C)(O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C2CCCC2)CC1 ZINC001305290656 1068493741 /nfs/dbraw/zinc/49/37/41/1068493741.db2.gz ZKXHHYIFMPSAOU-VWLOTQADSA-N 0 3 454.619 3.373 20 0 JGADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1CC1(C)CCCC1 ZINC001303865167 1068502041 /nfs/dbraw/zinc/50/20/41/1068502041.db2.gz NOHHTXJCZVCWOU-GOSISDBHSA-N 0 3 454.685 3.027 20 0 JGADHN CC[C@](C)(O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001305306194 1068513766 /nfs/dbraw/zinc/51/37/66/1068513766.db2.gz HSBXBOOHVXOIFR-UUOWRZLLSA-N 0 3 462.038 3.373 20 0 JGADHN CC[C@@](C)(O)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001305314790 1068528327 /nfs/dbraw/zinc/52/83/27/1068528327.db2.gz JFFUZMHXDRJKON-NXMSCROESA-N 0 3 464.655 3.130 20 0 JGADHN CC[C@H](C)[C@@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001305316866 1068532050 /nfs/dbraw/zinc/53/20/50/1068532050.db2.gz XXBUYRFWGGLFTK-DFBJGRDBSA-N 0 3 471.650 3.281 20 0 JGADHN C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCCC1 ZINC001303916189 1068567750 /nfs/dbraw/zinc/56/77/50/1068567750.db2.gz DJZOJOQSLSSWLF-AZUAARDMSA-N 0 3 493.649 3.445 20 0 JGADHN CC[C@H](C)[C@@](C)(O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001305343597 1068580827 /nfs/dbraw/zinc/58/08/27/1068580827.db2.gz WDHWARVLAQVTQE-MCEYFSPLSA-N 0 3 471.646 3.121 20 0 JGADHN C[C@H](Oc1ccccc1F)c1nnc(N2CCC[C@@H]2C)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001303925965 1068582419 /nfs/dbraw/zinc/58/24/19/1068582419.db2.gz GIVDCULALLFZBF-ZJOUEHCJSA-N 0 3 472.609 3.489 20 0 JGADHN C[C@H](Oc1ccccc1F)c1nnc(N2CCN(C3CCCC3)CC2)n1CCCC(=O)N(C)C ZINC001303932666 1068591893 /nfs/dbraw/zinc/59/18/93/1068591893.db2.gz YACZCXHNAJMPRD-IBGZPJMESA-N 0 3 472.609 3.490 20 0 JGADHN CC[C@H](C)c1nnc(N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)n1Cc1ccc(OC)cc1OC ZINC001305411769 1068650526 /nfs/dbraw/zinc/65/05/26/1068650526.db2.gz MBHGXRGCXZIZQR-ROKPMTFOSA-N 0 3 498.672 3.236 20 0 JGADHN CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CCC1(COC)CCC1 ZINC001305411344 1068650658 /nfs/dbraw/zinc/65/06/58/1068650658.db2.gz KESWARJQFGWCNV-QZNHQXDQSA-N 0 3 474.694 3.377 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001305426119 1068662864 /nfs/dbraw/zinc/66/28/64/1068662864.db2.gz NXJXWQKZRVDFHV-YADHBBJMSA-N 0 3 496.704 3.376 20 0 JGADHN CC[C@@H](C)c1nnc(N2CC[C@](C)(N3CCOCC3)C2)n1CCN(CC)CCC(F)(F)F ZINC001305429431 1068667860 /nfs/dbraw/zinc/66/78/60/1068667860.db2.gz MGOCDSPFMXTZEX-NQIIRXRSSA-N 0 3 460.589 3.367 20 0 JGADHN CC[C@H](C)c1nnc(N2CC[C@](C)(N3CCOCC3)C2)n1C[C@H](c1cccc(OC)c1)N(C)C ZINC001305429481 1068667986 /nfs/dbraw/zinc/66/79/86/1068667986.db2.gz MKNNHDISQCKIRC-CLLDFNAGSA-N 0 3 470.662 3.404 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCC(c3cnn(CC)c3)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305434289 1068671158 /nfs/dbraw/zinc/67/11/58/1068671158.db2.gz OLQKJTNIIONHNA-HXUWFJFHSA-N 0 3 456.683 3.418 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC(CN3CCOCC3)CC2)n1CCC(=O)N1CCCCCC1 ZINC001305445514 1068679646 /nfs/dbraw/zinc/67/96/46/1068679646.db2.gz RLKSWIJLTUIAPG-NRFANRHFSA-N 0 3 460.667 3.133 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCC(CNC(C)=O)CC2)n1C[C@H](c1cccc(OC)c1)N(C)C ZINC001305448552 1068682328 /nfs/dbraw/zinc/68/23/28/1068682328.db2.gz HZWORXIGXXHNDQ-WZONZLPQSA-N 0 3 456.635 3.456 20 0 JGADHN CC[C@H](C)c1nnc(N2CC[C@@H](N3CCN(CC)CC3)C2)n1C[C@](C)(O)c1ccc(F)cc1 ZINC001305454862 1068693293 /nfs/dbraw/zinc/69/32/93/1068693293.db2.gz AMSSLSYOGPOMMZ-SWHJIRTISA-N 0 3 458.626 3.055 20 0 JGADHN CC[C@H](C)c1nnc(N2CC[C@@](O)(c3ccc(C)cc3)C2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001305459414 1068701617 /nfs/dbraw/zinc/70/16/17/1068701617.db2.gz NSRPADLMDIEMTQ-MCEYFSPLSA-N 0 3 454.663 3.224 20 0 JGADHN CC[C@H](C)c1nnc(N2CC[C@H](N3CCN(CC)CC3)C2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001305460984 1068703837 /nfs/dbraw/zinc/70/38/37/1068703837.db2.gz YRJSOFBGJAFBBL-PTLVVNQVSA-N 0 3 494.606 3.458 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1Cc1c(Cl)cccc1OC ZINC001305511121 1068751894 /nfs/dbraw/zinc/75/18/94/1068751894.db2.gz BNHWDODLTPVNQO-GOSISDBHSA-N 0 3 477.053 3.492 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1C[C@H]1CCN(c2ccccc2F)C1 ZINC001305511507 1068752373 /nfs/dbraw/zinc/75/23/73/1068752373.db2.gz BQLFBSLNSHFENZ-VXKWHMMOSA-N 0 3 499.679 3.448 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001305513157 1068756707 /nfs/dbraw/zinc/75/67/07/1068756707.db2.gz IKEMEAQFSHVCIZ-YUXAGFNASA-N 0 3 472.609 3.061 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@H](C)Oc1cccc(OC)c1 ZINC001305513804 1068758246 /nfs/dbraw/zinc/75/82/46/1068758246.db2.gz JDIHDQBCZSVSBO-SFTDATJTSA-N 0 3 484.645 3.012 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)N3CCCC3)CC2)n1C[C@@H](c1cccc(OC)c1)N(C)C ZINC001305514253 1068760138 /nfs/dbraw/zinc/76/01/38/1068760138.db2.gz MLDUOHFDLIWPIR-REWPJTCUSA-N 0 3 483.661 3.441 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305519692 1068770063 /nfs/dbraw/zinc/77/00/63/1068770063.db2.gz SCBYINWLDBNAQJ-VQTJNVASSA-N 0 3 477.698 3.263 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(c3ccccc3OC)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305525762 1068779083 /nfs/dbraw/zinc/77/90/83/1068779083.db2.gz FUFHQGJLTZCKHA-OAQYLSRUSA-N 0 3 469.678 3.153 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(c3ccccc3C)CC2)n1CCCN1CCN(CC)CC1 ZINC001305527765 1068781183 /nfs/dbraw/zinc/78/11/83/1068781183.db2.gz RRYKALZCMGTFGV-JOCHJYFZSA-N 0 3 453.679 3.454 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(c3cccnn3)CC2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001305528105 1068781820 /nfs/dbraw/zinc/78/18/20/1068781820.db2.gz USHGZLPHXJHCOI-RXVVDRJESA-N 0 3 452.582 3.350 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(c3cccnn3)CC2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001305528104 1068781912 /nfs/dbraw/zinc/78/19/12/1068781912.db2.gz USHGZLPHXJHCOI-NQIIRXRSSA-N 0 3 452.582 3.350 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(c3nccc(OC)n3)CC2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001305532102 1068788920 /nfs/dbraw/zinc/78/89/20/1068788920.db2.gz HUCPUODPHJRALC-WIYYLYMNSA-N 0 3 482.608 3.359 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCO[C@H](c3cccc(OC)c3)C2)n1CCCN1CCN(CC)CC1 ZINC001305551726 1068830106 /nfs/dbraw/zinc/83/01/06/1068830106.db2.gz ACKIYIDCCHPKKP-QPPBQGQZSA-N 0 3 470.662 3.406 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCO[C@H](c3cccc(OC)c3)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305554846 1068833096 /nfs/dbraw/zinc/83/30/96/1068833096.db2.gz MADKYWVKTQIFDZ-OFNKIYASSA-N 0 3 470.662 3.404 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCn3cc(C(F)(F)F)nc3C2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001305555293 1068833128 /nfs/dbraw/zinc/83/31/28/1068833128.db2.gz XWKDKYIHLCOBNV-SJORKVTESA-N 0 3 468.572 3.053 20 0 JGADHN CC[C@@H](C)N(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](O)CC2(CCCC2)C1 ZINC001305605286 1068871314 /nfs/dbraw/zinc/87/13/14/1068871314.db2.gz DNPJWTQRISYSEE-TZIWHRDSSA-N 0 3 489.686 3.210 20 0 JGADHN CC[C@@H](C)N(C)CCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)c2ccccc2)CC1 ZINC001305606259 1068873592 /nfs/dbraw/zinc/87/35/92/1068873592.db2.gz SKXOXBGTWCUJAL-LJQANCHMSA-N 0 3 454.619 3.246 20 0 JGADHN CC[C@H](C)N(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(OC(C)C)CC1 ZINC001305608328 1068878635 /nfs/dbraw/zinc/87/86/35/1068878635.db2.gz OVPJYBGCHIRJGD-IBGZPJMESA-N 0 3 477.675 3.473 20 0 JGADHN CC[C@H](C)N(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001305609582 1068880841 /nfs/dbraw/zinc/88/08/41/1068880841.db2.gz UHZPTLUXDPWHDP-INIZCTEOSA-N 0 3 494.065 3.102 20 0 JGADHN CC[C@@H](C)N(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001305609585 1068880965 /nfs/dbraw/zinc/88/09/65/1068880965.db2.gz UHZPTLUXDPWHDP-MRXNPFEDSA-N 0 3 494.065 3.102 20 0 JGADHN CC[C@@H](C)N(C)CCn1c(-c2cccc(OC)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001305611343 1068886207 /nfs/dbraw/zinc/88/62/07/1068886207.db2.gz ZHQBYQGUSVGWSV-GOSISDBHSA-N 0 3 463.648 3.088 20 0 JGADHN CC[C@@H](C)NC(=O)CN1CCN(c2nnc(-c3ccccc3)n2C[C@@H](c2ccsc2)N(C)C)CC1 ZINC001305643946 1068967710 /nfs/dbraw/zinc/96/77/10/1068967710.db2.gz JBJFVPVZTSIRKV-OFNKIYASSA-N 0 3 495.697 3.346 20 0 JGADHN CC[C@@H](C)NC(=O)CN1CCN(c2nnc(C3CCC3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 ZINC001305650409 1068985690 /nfs/dbraw/zinc/98/56/90/1068985690.db2.gz TZHMJZVPOMEGOF-AUSIDOKSSA-N 0 3 485.652 3.024 20 0 JGADHN CC[C@@H](c1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC001305659493 1068999909 /nfs/dbraw/zinc/99/99/09/1068999909.db2.gz IXAGUCHFDHFGMF-JSRBNTPPSA-N 0 3 482.673 3.376 20 0 JGADHN CC[C@@H](c1nnc(N2CCS(=O)(=O)CC2)n1CCCN1CCCC[C@@H]1C)c1ccccc1 ZINC001305682039 1069040669 /nfs/dbraw/zinc/04/06/69/1069040669.db2.gz MJKITBOZQXDARC-RBBKRZOGSA-N 0 3 459.660 3.319 20 0 JGADHN CCC(CC)[C@@H](CCn1c(C2CCC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1)OC ZINC001305701639 1069083327 /nfs/dbraw/zinc/08/33/27/1069083327.db2.gz HWFLRFXSLLPKTC-FGZHOGPDSA-N 0 3 460.667 3.130 20 0 JGADHN CCC(CC)[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCNC(=O)C1)N1CCOCC1 ZINC001305703322 1069086969 /nfs/dbraw/zinc/08/69/69/1069086969.db2.gz HLJCCSXNISAXIU-QHCPKHFHSA-N 0 3 482.673 3.316 20 0 JGADHN CCC(CC)[C@@H](Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@](C)(C(=O)NC)C1)N1CCOCC1 ZINC001305705703 1069093952 /nfs/dbraw/zinc/09/39/52/1069093952.db2.gz QYWLWURYXLCAPF-KCWPFWIISA-N 0 3 498.672 3.053 20 0 JGADHN CCC(CC)[C@@H](Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](C(=O)OC)C1)N1CCOCC1 ZINC001305709321 1069104251 /nfs/dbraw/zinc/10/42/51/1069104251.db2.gz OPQWKFNERUNWQA-JTHBVZDNSA-N 0 3 485.629 3.090 20 0 JGADHN CCC(CC)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2sccc2C1)N(C)C ZINC001305711169 1069110072 /nfs/dbraw/zinc/11/00/72/1069110072.db2.gz AXDXOPRHYHWUIF-RTBURBONSA-N 0 3 465.689 3.171 20 0 JGADHN CCC(CC)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2sccc2C1)N(C)C ZINC001305711168 1069110104 /nfs/dbraw/zinc/11/01/04/1069110104.db2.gz AXDXOPRHYHWUIF-RBUKOAKNSA-N 0 3 465.689 3.171 20 0 JGADHN CCC(CC)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)N(C)C ZINC001305711541 1069110479 /nfs/dbraw/zinc/11/04/79/1069110479.db2.gz OPZIMPYCLNZOIS-UNMCSNQZSA-N 0 3 476.691 3.418 20 0 JGADHN CCC(CC)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1C)N(C)C ZINC001305713471 1069116005 /nfs/dbraw/zinc/11/60/05/1069116005.db2.gz JAXSNSSLXNTVLU-FGZHOGPDSA-N 0 3 461.676 3.491 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N(C)[C@@H]2CCC[C@@H](C)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305720778 1069129765 /nfs/dbraw/zinc/12/97/65/1069129765.db2.gz RWSYHCPEVOHQNZ-TZIWHRDSSA-N 0 3 461.699 3.237 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc3c(c2)OCO3)n1CCN1CCC[C@H]1C ZINC001305726628 1069143878 /nfs/dbraw/zinc/14/38/78/1069143878.db2.gz QQYWRJRCGKIBSS-QGZVFWFLSA-N 0 3 456.591 3.046 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccon2)n1CC1(N2CCSCC2)CCCC1 ZINC001305727154 1069145350 /nfs/dbraw/zinc/14/53/50/1069145350.db2.gz HJTAGXBFLVQUHF-UHFFFAOYSA-N 0 3 475.663 3.183 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)[C@H](C)C2)n1Cc1ccccc1CN1CCC(O)CC1 ZINC001305737147 1069159786 /nfs/dbraw/zinc/15/97/86/1069159786.db2.gz ZWLVCAORDFQFLD-WOJBJXKFSA-N 0 3 482.673 3.294 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)N(CC)C[C@@H]2C)n1Cc1ccc2c(n1)CCCC2 ZINC001305737255 1069160352 /nfs/dbraw/zinc/16/03/52/1069160352.db2.gz GZWKUEAXVYDYPM-MOPGFXCFSA-N 0 3 467.662 3.438 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)N(CC)C[C@@H]2C)n1CCc1ccc2c[nH]nc2c1 ZINC001305738098 1069162875 /nfs/dbraw/zinc/16/28/75/1069162875.db2.gz LCUCGOKOTLYKNV-MSOLQXFVSA-N 0 3 466.634 3.234 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1C[C@](C)(O)C1CCCCC1 ZINC001305740640 1069171128 /nfs/dbraw/zinc/17/11/28/1069171128.db2.gz QKHIAMPWVGMJIP-MHPIHPPYSA-N 0 3 462.683 3.447 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1C[C@@](C)(O)C1CCCCC1 ZINC001305740646 1069171783 /nfs/dbraw/zinc/17/17/83/1069171783.db2.gz QKHIAMPWVGMJIP-XHNVNVPESA-N 0 3 462.683 3.447 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)N(CC)C[C@H]2C)n1CCc1sc(C)nc1C ZINC001305742585 1069177348 /nfs/dbraw/zinc/17/73/48/1069177348.db2.gz WABBHYSNYQQGMN-HZPDHXFCSA-N 0 3 461.680 3.431 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC(C(=O)OC)CC2)n1C[C@@H](c1ccccc1)N1CCCC1 ZINC001305746214 1069188644 /nfs/dbraw/zinc/18/86/44/1069188644.db2.gz YHBYMPWHOXPWSO-QHCPKHFHSA-N 0 3 496.656 3.423 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC(CN3CCOCC3)CC2)n1C[C@H]1CCC(F)(F)C1 ZINC001305756783 1069211894 /nfs/dbraw/zinc/21/18/94/1069211894.db2.gz ZJXKIHRAWUTIHL-IBGZPJMESA-N 0 3 482.620 3.181 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CC[C@@](O)(c3cccc(F)c3)C2)n1CCN1CCC[C@H](C)C1 ZINC001305758983 1069219276 /nfs/dbraw/zinc/21/92/76/1069219276.db2.gz NHRVWRAFZUVZMW-SIBVEZHUSA-N 0 3 486.636 3.165 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCc3ccc(O)cc3C2)n1CCN1CCC[C@@H](C)C1 ZINC001305760646 1069225611 /nfs/dbraw/zinc/22/56/11/1069225611.db2.gz CETAPIAVBHAEKA-GOSISDBHSA-N 0 3 454.619 3.197 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@H](OC)C2)n1C[C@@H]1CCCN1Cc1ccccc1 ZINC001305772135 1069249980 /nfs/dbraw/zinc/24/99/80/1069249980.db2.gz OVMOEKPYAKITRC-GOTSBHOMSA-N 0 3 468.646 3.476 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H](n3nc(C)cc3C)C2)n1CCN1CCCCC1 ZINC001305773789 1069254123 /nfs/dbraw/zinc/25/41/23/1069254123.db2.gz XXMUIQUPHDKGTP-JOCHJYFZSA-N 0 3 470.666 3.337 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@](C)(O)C1CCCCC1 ZINC001305778265 1069265166 /nfs/dbraw/zinc/26/51/66/1069265166.db2.gz AHNGKVIOTOIROF-VWLOTQADSA-N 0 3 462.683 3.448 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(F)cc(F)c3)CC2)n1C[C@H]1CCCN1CC ZINC001305780325 1069270486 /nfs/dbraw/zinc/27/04/86/1069270486.db2.gz BOQAGZFZNGETNP-OAQYLSRUSA-N 0 3 489.615 3.286 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(c3cc(F)ccc3F)CC2)n1C[C@@H]1CCCN1CC ZINC001305780361 1069270519 /nfs/dbraw/zinc/27/05/19/1069270519.db2.gz CHNNHKZQHPCVIW-FQEVSTJZSA-N 0 3 489.615 3.286 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccc(C)cc1OC ZINC001305781239 1069272627 /nfs/dbraw/zinc/27/26/27/1069272627.db2.gz ZKCQLQVBSKWWKL-UHFFFAOYSA-N 0 3 456.635 3.482 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN([C@H](C)c3ccsc3)CC2)n1CCN1CCCC1 ZINC001305782896 1069275875 /nfs/dbraw/zinc/27/58/75/1069275875.db2.gz SLEPOENPNQKKAF-LJQANCHMSA-N 0 3 473.691 3.237 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(CC(C)C)CC2)n1CCN1c2ccccc2C[C@H]1C ZINC001305785168 1069284441 /nfs/dbraw/zinc/28/44/41/1069284441.db2.gz ASAIUFDNRZGHIK-OAQYLSRUSA-N 0 3 481.689 3.426 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1CCOc1cc(C)cc(C)c1 ZINC001305785598 1069286363 /nfs/dbraw/zinc/28/63/63/1069286363.db2.gz NGUQIUANWXCKDY-UHFFFAOYSA-N 0 3 498.672 3.193 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCCC3)CC2)n1Cc1ccc(OC)cc1 ZINC001305785652 1069286762 /nfs/dbraw/zinc/28/67/62/1069286762.db2.gz OANXXUDAOLRDQC-UHFFFAOYSA-N 0 3 454.619 3.318 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCCC3)CC2)n1Cc1cccc(OC)c1 ZINC001305786370 1069290254 /nfs/dbraw/zinc/29/02/54/1069290254.db2.gz VYYUQELKCCAXAY-UHFFFAOYSA-N 0 3 454.619 3.318 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(CC3CCCCC3)CC2)n1C[C@@H]1CCCOC1 ZINC001305786851 1069291786 /nfs/dbraw/zinc/29/17/86/1069291786.db2.gz BIKDMGJHDVKHKG-NRFANRHFSA-N 0 3 460.667 3.325 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(CC3CCOCC3)CC2)n1CCc1cccs1 ZINC001305787124 1069293200 /nfs/dbraw/zinc/29/32/00/1069293200.db2.gz GMNRVBBTHIXFJZ-UHFFFAOYSA-N 0 3 474.675 3.049 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1C/C=C\c1ccccc1 ZINC001305787347 1069293757 /nfs/dbraw/zinc/29/37/57/1069293757.db2.gz KNAHEHOCJUVTIG-KKCDMYQCSA-N 0 3 466.630 3.068 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCOC3(CCCCC3)C2)n1CCN1CCC(C)CC1 ZINC001305791450 1069303872 /nfs/dbraw/zinc/30/38/72/1069303872.db2.gz KNQGENTUUNTHRZ-UHFFFAOYSA-N 0 3 460.667 3.468 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3ccc(F)cc3)C2)n1C[C@@H]1CCCN1CC ZINC001305792090 1069305241 /nfs/dbraw/zinc/30/52/41/1069305241.db2.gz QMKURJYPENQNNZ-FCHUYYIVSA-N 0 3 472.609 3.398 20 0 JGADHN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1[nH+]cnc3[n-]cc(S(C)(=O)=O)c31)CC2 ZINC001164663473 719348562 /nfs/dbraw/zinc/34/85/62/719348562.db2.gz HYIHJYQTFZUBNP-UHFFFAOYSA-N 0 3 491.621 3.056 20 0 JGADHN CNC(=O)CN1CCCC12CCN(c1nc(-c3ccccn3)c(-c3ccccn3)nc1Cl)CC2 ZINC001164690149 719754951 /nfs/dbraw/zinc/75/49/51/719754951.db2.gz UOGNGUWFDKIZFQ-UHFFFAOYSA-N 0 3 478.000 3.435 20 0 JGADHN c1csc(CN2CCOC3(CCN(c4nc(N5CCCC5)nc(N5CCCC5)n4)CC3)C2)c1 ZINC001164696254 719897444 /nfs/dbraw/zinc/89/74/44/719897444.db2.gz DTEMXUYCFZIGAC-UHFFFAOYSA-N 0 3 469.659 3.005 20 0 JGADHN CC(C)(C)C(=O)Nc1ccnc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)c1CN1CC[C@H](CO)C1 ZINC001164729288 720416010 /nfs/dbraw/zinc/41/60/10/720416010.db2.gz GQPCXUIEVLGNNV-FTBPSBKWSA-N 0 3 492.668 3.129 20 0 JGADHN COc1ccc(Cn2cc3[nH]c(N4CC[C@@H]5[C@H]4CCN5Cc4cccnc4)ccc-3c2=O)cc1 ZINC001164735338 720429911 /nfs/dbraw/zinc/42/99/11/720429911.db2.gz WHUSAKIUUWHECK-JWQCQUIFSA-N 0 3 455.562 3.494 20 0 JGADHN Fc1ccccc1N1CCN(c2cc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)ncn2)CC1 ZINC001164732829 720449844 /nfs/dbraw/zinc/44/98/44/720449844.db2.gz OMCQHHCSCAPRSP-RPWUZVMVSA-N 0 3 459.573 3.191 20 0 JGADHN COc1cc2c(cc1OCc1ccccc1)ncnc2N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164746249 720643902 /nfs/dbraw/zinc/64/39/02/720643902.db2.gz WJUNUQIXJQJCGM-SFTDATJTSA-N 0 3 484.560 3.349 20 0 JGADHN FC(F)(c1cc(Cl)nc(=S)[n-]1)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164844749 720742548 /nfs/dbraw/zinc/74/25/48/720742548.db2.gz SZNFYXKEROANGA-UHFFFAOYSA-N 0 3 463.945 3.321 20 0 JGADHN Cc1sc2nc(CN3CCCC3)nc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1C ZINC001164737859 720762570 /nfs/dbraw/zinc/76/25/70/720762570.db2.gz DCRYEZOVVLGDNB-RBUKOAKNSA-N 0 3 465.627 3.036 20 0 JGADHN COc1cccc(-c2nc3ccccc3c(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)c1 ZINC001164740455 720783023 /nfs/dbraw/zinc/78/30/23/720783023.db2.gz LFZPXYJUZHMDCD-CTNGQTDRSA-N 0 3 454.534 3.437 20 0 JGADHN c1ccc(COc2ccc3c(c2)ncnc3N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)cc1 ZINC001164751957 720801553 /nfs/dbraw/zinc/80/15/53/720801553.db2.gz YHUMNXWYHVSPEH-IRLDBZIGSA-N 0 3 454.534 3.341 20 0 JGADHN C[C@H]1CCCN1C(=O)c1nn(-c2nc(Cl)nc3c2CN(Cc2ccccc2)C3)c2c1CNCC2 ZINC001164849204 720805527 /nfs/dbraw/zinc/80/55/27/720805527.db2.gz RPNMVJDEBGRTIH-INIZCTEOSA-N 0 3 478.000 3.102 20 0 JGADHN CC(C)N(C)Cc1cnc2n1CCN(c1ncc3ccn(S(=O)(=O)c4ccccc4)c3n1)[C@@H]2C ZINC001164864137 720996921 /nfs/dbraw/zinc/99/69/21/720996921.db2.gz XSVWCHSBOQFCIO-GOSISDBHSA-N 0 3 479.610 3.286 20 0 JGADHN Clc1nc2c(ncn2Cc2ccccc2)c(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164866532 721068978 /nfs/dbraw/zinc/06/89/78/721068978.db2.gz FCMLZWKKADJRIH-RTWAWAEBSA-N 0 3 475.984 3.403 20 0 JGADHN CCOC(=O)c1cnc2ccc(Cl)nc2c1N1C[C@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164766391 721122286 /nfs/dbraw/zinc/12/22/86/721122286.db2.gz KXUQKBZFSGAYCM-SJORKVTESA-N 0 3 454.962 3.152 20 0 JGADHN CCOC(=O)c1ccc2nc(Cl)nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164876502 721134561 /nfs/dbraw/zinc/13/45/61/721134561.db2.gz MVPRBLJXLBXEKF-MOPGFXCFSA-N 0 3 467.957 3.335 20 0 JGADHN COC(OC)c1ccc(NC(=O)C(C)(C)C)c(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164767538 721173161 /nfs/dbraw/zinc/17/31/61/721173161.db2.gz JZEWALRJPITIFY-RBUKOAKNSA-N 0 3 470.618 3.049 20 0 JGADHN CCOC(=O)c1ccc2nc(Cl)nc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)c2c1 ZINC001164773385 721186952 /nfs/dbraw/zinc/18/69/52/721186952.db2.gz WWIYBDLOCQXSBD-ZWKOTPCHSA-N 0 3 454.962 3.152 20 0 JGADHN COC[C@@H]1CC2(CN1C(=O)c1cccn1C)CCN(c1ccc(CN(C)C3CC3)cn1)CC2 ZINC001164871139 721225251 /nfs/dbraw/zinc/22/52/51/721225251.db2.gz IGFBEYSPBVXCOU-QFIPXVFZSA-N 0 3 451.615 3.162 20 0 JGADHN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncnc5c4ccn5Cc4cccc(F)c4)C3)O2)CC1 ZINC001164885275 721416291 /nfs/dbraw/zinc/41/62/91/721416291.db2.gz GNASEHRVPZXMFT-KCWPFWIISA-N 0 3 478.616 3.384 20 0 JGADHN Fc1cccc(O[C@H]2C[C@H]3CN(c4nc5ccsc5c(N5CCOCC5)n4)CCN3C2)c1 ZINC001164898583 721518510 /nfs/dbraw/zinc/51/85/10/721518510.db2.gz JERNZMWVHGXFFK-HKUYNNGSSA-N 0 3 455.559 3.009 20 0 JGADHN CS(=O)(=O)c1ccc(Oc2ccnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)n2)cc1 ZINC001164905793 721548888 /nfs/dbraw/zinc/54/88/88/721548888.db2.gz IHRWJENKHQSSNX-GHTZIAJQSA-N 0 3 484.553 3.153 20 0 JGADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)CCN3C2)c1 ZINC001164908783 721562034 /nfs/dbraw/zinc/56/20/34/721562034.db2.gz SCWSFAZWFJDXMM-ILBGXUMGSA-N 0 3 475.568 3.461 20 0 JGADHN FC1(F)CCN(c2nc(N3CCCC3)nc(N3CCCC3)n2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164906455 721723300 /nfs/dbraw/zinc/72/33/00/721723300.db2.gz MANIZDMWGBGCFV-XMMPIXPASA-N 0 3 484.599 3.205 20 0 JGADHN CC(C)(C)C(=O)Nc1ccnc(N2CCN(CCOc3ccccc3)CC2)c1CN1CC[C@H](CO)C1 ZINC001165044013 721958524 /nfs/dbraw/zinc/95/85/24/721958524.db2.gz CAIYWZFKRVRATH-QFIPXVFZSA-N 0 3 495.668 3.081 20 0 JGADHN O=C(NCc1ccccc1)c1cccnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980062 722103532 /nfs/dbraw/zinc/10/35/32/722103532.db2.gz JEBUEKLLJJGRKV-UKILVPOCSA-N 0 3 457.578 3.134 20 0 JGADHN COC(=O)c1ccc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164981399 722107385 /nfs/dbraw/zinc/10/73/85/722107385.db2.gz LHMDIOMIODMGPP-SJLPKXTDSA-N 0 3 466.916 3.189 20 0 JGADHN COC(=O)c1ccc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164981397 722107430 /nfs/dbraw/zinc/10/74/30/722107430.db2.gz LHMDIOMIODMGPP-FUHWJXTLSA-N 0 3 466.916 3.189 20 0 JGADHN COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164983149 722113801 /nfs/dbraw/zinc/11/38/01/722113801.db2.gz YKAQGVYVQJBOAW-AEFFLSMTSA-N 0 3 466.916 3.189 20 0 JGADHN COC(=O)c1cnc(Cl)c(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164983801 722136513 /nfs/dbraw/zinc/13/65/13/722136513.db2.gz UZOJCZKXMWFJDM-QFBILLFUSA-N 0 3 466.916 3.189 20 0 JGADHN COC(=O)c1cnc(Cl)c(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164983802 722136592 /nfs/dbraw/zinc/13/65/92/722136592.db2.gz UZOJCZKXMWFJDM-VQIMIIECSA-N 0 3 466.916 3.189 20 0 JGADHN c1cncc(CN2CCO[C@H]3CN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)CC[C@@H]3C2)c1 ZINC001164980316 722142533 /nfs/dbraw/zinc/14/25/33/722142533.db2.gz MTBJYWWUORWHFM-BWKNWUBXSA-N 0 3 459.550 3.037 20 0 JGADHN FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975177 722151196 /nfs/dbraw/zinc/15/11/96/722151196.db2.gz FHRDLSJOWVMAHQ-QZTJIDSGSA-N 0 3 476.915 3.452 20 0 JGADHN COc1ccc(-c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nn2)c(OC)c1OC ZINC001164977979 722151261 /nfs/dbraw/zinc/15/12/61/722151261.db2.gz JAHYPWFHBUCGSE-YKSBVNFPSA-N 0 3 491.592 3.292 20 0 JGADHN FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971291 722158819 /nfs/dbraw/zinc/15/88/19/722158819.db2.gz BOXVVNDBWRHWCU-HZPDHXFCSA-N 0 3 480.972 3.493 20 0 JGADHN CC[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@](C)(OC)C1)N1CCCC1 ZINC001305814049 1069345441 /nfs/dbraw/zinc/34/54/41/1069345441.db2.gz GJQWNLXQLFUTRJ-GBXCKJPGSA-N 0 3 475.659 3.228 20 0 JGADHN CC[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N(C)CCS(=O)(=O)CC)N1CCCC1 ZINC001305814272 1069345675 /nfs/dbraw/zinc/34/56/75/1069345675.db2.gz MVEOZCHMWOHJSH-LJQANCHMSA-N 0 3 498.491 3.453 20 0 JGADHN CC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)CN(CC)CC)CC1)c1ccccc1 ZINC001305823192 1069360042 /nfs/dbraw/zinc/36/00/42/1069360042.db2.gz VKAUUEKVDOAWOX-NRFANRHFSA-N 0 3 463.630 3.457 20 0 JGADHN CC[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1)OC ZINC001305839670 1069386050 /nfs/dbraw/zinc/38/60/50/1069386050.db2.gz ZOMHEBGIPGTYNJ-YADHBBJMSA-N 0 3 461.054 3.164 20 0 JGADHN CC[C@H](Cn1c(N2CCN(C3CCOCC3)CC2)nnc1C(C)(C)C)NC(=O)OC(C)(C)C ZINC001305850801 1069403571 /nfs/dbraw/zinc/40/35/71/1069403571.db2.gz STGAWOFGMHDKGV-GOSISDBHSA-N 0 3 464.655 3.180 20 0 JGADHN CCC1(CC)CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCN2CCc3ccccc3C2)C1 ZINC001305894285 1069452363 /nfs/dbraw/zinc/45/23/63/1069452363.db2.gz WWERBEDYRJXJDI-HXUWFJFHSA-N 0 3 488.702 3.353 20 0 JGADHN CCc1ccc([C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C)[C@H](C)C2)N(C)C)cc1 ZINC001305914296 1069469199 /nfs/dbraw/zinc/46/91/99/1069469199.db2.gz AZGFCYIPOIPETF-WEMPKCCASA-N 0 3 476.691 3.236 20 0 JGADHN CCc1ccc([C@H](Cn2c(Cc3ccccn3)nnc2N2CCC[C@@H](NC(C)=O)C2)N(C)C)cc1 ZINC001305917718 1069472043 /nfs/dbraw/zinc/47/20/43/1069472043.db2.gz IDSWIMPYQDKIRX-RPBOFIJWSA-N 0 3 475.641 3.234 20 0 JGADHN CCc1ccc([C@H](Cn2c(Cc3ccsc3)nnc2N2CCC(C(N)=O)CC2)N(C)C)cc1 ZINC001305917753 1069472598 /nfs/dbraw/zinc/47/25/98/1069472598.db2.gz IJAMBULWPMJJRF-QFIPXVFZSA-N 0 3 466.655 3.497 20 0 JGADHN CCc1ccc([C@H](Cn2c([C@H](C)CC)nnc2N2CCC[C@H](n3cnc(C(N)=O)n3)C2)N(C)C)cc1 ZINC001305918520 1069473655 /nfs/dbraw/zinc/47/36/55/1069473655.db2.gz SKVYQFJSYRDOPB-COPCDDAFSA-N 0 3 493.660 3.189 20 0 JGADHN CCc1ccc([C@@H](Cn2c(CC(C)(C)C)nnc2N(C)CC(=O)N2CCOCC2)N(C)C)cc1 ZINC001305918754 1069473682 /nfs/dbraw/zinc/47/36/82/1069473682.db2.gz MBEJPAIXJFUOPG-JOCHJYFZSA-N 0 3 470.662 3.027 20 0 JGADHN CCc1ccc([C@H](Cn2c(CC3CCCC3)nnc2N2CCN(C(=O)COC)CC2)N(C)C)cc1 ZINC001305921118 1069476888 /nfs/dbraw/zinc/47/68/88/1069476888.db2.gz WOPYKQGTVYPWCH-DEOSSOPVSA-N 0 3 482.673 3.171 20 0 JGADHN CCc1ccc([C@@H](Cn2c(Cc3ccsc3)nnc2N2CCN(C)C(=O)[C@H]2C)N(C)C)cc1 ZINC001305921363 1069477442 /nfs/dbraw/zinc/47/74/42/1069477442.db2.gz XPMGADBPJYPYNU-XMSQKQJNSA-N 0 3 466.655 3.463 20 0 JGADHN CN(CC(F)(F)F)c1nnc([C@H]2CCCO2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001298257778 1064154463 /nfs/dbraw/zinc/15/44/63/1064154463.db2.gz YCFBAZMEEKQOLQ-RBUKOAKNSA-N 0 3 453.509 3.419 20 0 JGADHN CN(Cc1cc(F)cc(F)c1)c1nnc([C@@H]2CCCOC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001298270541 1064162580 /nfs/dbraw/zinc/16/25/80/1064162580.db2.gz HUBJMEXYTYVTTB-LJQANCHMSA-N 0 3 462.589 3.113 20 0 JGADHN CN(Cc1cccc(C(F)(F)F)c1)c1nnc(C(=O)N2CCCC2)n1CCN1CCCC1 ZINC001298329478 1064204695 /nfs/dbraw/zinc/20/46/95/1064204695.db2.gz XUQPGYAJKMDUDF-UHFFFAOYSA-N 0 3 450.509 3.265 20 0 JGADHN CN(C)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1)C1CCCCC1 ZINC001298346397 1064212311 /nfs/dbraw/zinc/21/23/11/1064212311.db2.gz XEOCLFKMAUWMRK-YADHBBJMSA-N 0 3 459.660 3.327 20 0 JGADHN CN(C)[C@@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1ncnn1CC(F)F)c1cccc(F)c1 ZINC001298462791 1064264592 /nfs/dbraw/zinc/26/45/92/1064264592.db2.gz WDFQCWABRHCHNZ-IBGZPJMESA-N 0 3 485.518 3.275 20 0 JGADHN CN(C)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CCCC1)C1CCCCC1 ZINC001298527280 1064293345 /nfs/dbraw/zinc/29/33/45/1064293345.db2.gz KJVJHEKVFXCWOS-SFTDATJTSA-N 0 3 451.681 3.317 20 0 JGADHN CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)CCCN3CCN(c4ccccc4)CC3)CC[C@H]21 ZINC001298533608 1064295821 /nfs/dbraw/zinc/29/58/21/1064295821.db2.gz CYOPWHSAWPJCSQ-FYYLOGMGSA-N 0 3 456.631 3.447 20 0 JGADHN CN(CCC(F)(F)F)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001298591605 1064364880 /nfs/dbraw/zinc/36/48/80/1064364880.db2.gz HUVFTGVREUZYOL-HXUWFJFHSA-N 0 3 494.562 3.194 20 0 JGADHN CN(CCc1nccs1)c1nnc(-c2cc(Br)cn2C)n1CCN1CC=CCC1 ZINC001298631529 1064406118 /nfs/dbraw/zinc/40/61/18/1064406118.db2.gz UHRMFIKQTFTWCG-UHFFFAOYSA-N 0 3 476.448 3.443 20 0 JGADHN CN(C)[C@H](Cn1c(-c2cnccn2)nnc1N(C)CCc1nccs1)c1cccc(F)c1 ZINC001298633712 1064409118 /nfs/dbraw/zinc/40/91/18/1064409118.db2.gz KRWXTGLIEGFMHK-LJQANCHMSA-N 0 3 452.563 3.313 20 0 JGADHN CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)N2CCN(C3CC3)C[C@@H](C)C2)c1 ZINC001298642085 1064415427 /nfs/dbraw/zinc/41/54/27/1064415427.db2.gz WAFUWXYCMQSBGN-GOSISDBHSA-N 0 3 458.580 3.409 20 0 JGADHN CN(CCCn1c(C2CC2)nnc1N(C)C1CCN(CCn2cccn2)CC1)C(=O)OC(C)(C)C ZINC001298669365 1064449874 /nfs/dbraw/zinc/44/98/74/1064449874.db2.gz MYFOBZBTJGHHFI-UHFFFAOYSA-N 0 3 486.665 3.210 20 0 JGADHN CN(CCn1c([C@@H]2CCCCO2)nnc1N(C)CCc1cnccn1)Cc1ccc(F)cc1 ZINC001298710445 1064516452 /nfs/dbraw/zinc/51/64/52/1064516452.db2.gz ZNXKWDRNGAQQET-QFIPXVFZSA-N 0 3 453.566 3.260 20 0 JGADHN CN(CCn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC001298711790 1064517815 /nfs/dbraw/zinc/51/78/15/1064517815.db2.gz CWDOUNAGCOXZQA-IBGZPJMESA-N 0 3 495.640 3.425 20 0 JGADHN CN(CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](C(N)=O)C1)Cc1ccc(F)cc1 ZINC001298719976 1064530456 /nfs/dbraw/zinc/53/04/56/1064530456.db2.gz KUIYVQQVQXXMSM-CEMLEFRQSA-N 0 3 486.636 3.170 20 0 JGADHN Cc1n[nH]c(C(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)c1I ZINC001298720563 1064531607 /nfs/dbraw/zinc/53/16/07/1064531607.db2.gz ALBDFCJAZRGNOP-OAHLLOKOSA-N 0 3 456.328 3.143 20 0 JGADHN CN(CCN1CCN(c2nnc(-c3cccn3C)n2CCOC(C)(C)C)CC1)Cc1ccccc1 ZINC001298727966 1064538685 /nfs/dbraw/zinc/53/86/85/1064538685.db2.gz KAQYNAVSUHIWQP-UHFFFAOYSA-N 0 3 479.673 3.353 20 0 JGADHN CN(C)[C@@H](Cn1c(-c2cccn2C)nnc1N(C)CCN1CCOC(C)(C)C1)c1ccc(F)cc1 ZINC001298728225 1064540073 /nfs/dbraw/zinc/54/00/73/1064540073.db2.gz NWUKZCZTMQWWIH-QHCPKHFHSA-N 0 3 483.636 3.273 20 0 JGADHN CN(C)[C@H](Cn1c(-c2cccn2C)nnc1N(C)CCN1CCOC(C)(C)C1)c1ccc(F)cc1 ZINC001298728222 1064540183 /nfs/dbraw/zinc/54/01/83/1064540183.db2.gz NWUKZCZTMQWWIH-HSZRJFAPSA-N 0 3 483.636 3.273 20 0 JGADHN CN(CCN1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CC(F)(F)CO2)CC1)Cc1ccccc1 ZINC001298728536 1064541612 /nfs/dbraw/zinc/54/16/12/1064541612.db2.gz VIQGPQHAJHLPQT-OAQYLSRUSA-N 0 3 476.616 3.254 20 0 JGADHN CN(C)C1(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)CCS(C)(=O)=O)CCC1 ZINC001298775111 1064579893 /nfs/dbraw/zinc/57/98/93/1064579893.db2.gz AGJHAOMJFYFTKR-UHFFFAOYSA-N 0 3 460.431 3.217 20 0 JGADHN Cn1cc(Br)cc1-c1nnc(N2CCN(C3CCCC3)CC2)n1CCC(C)(C)O ZINC001298801564 1064598344 /nfs/dbraw/zinc/59/83/44/1064598344.db2.gz KEQVCQOFAKLJSL-UHFFFAOYSA-N 0 3 465.440 3.272 20 0 JGADHN Cn1cc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2Cc2ccc(OC(C)(C)C)nc2)cn1 ZINC001298817892 1064619664 /nfs/dbraw/zinc/61/96/64/1064619664.db2.gz NGGDFXHFSCZJHH-UHFFFAOYSA-N 0 3 452.607 3.220 20 0 JGADHN COC(=O)c1nc(C(=O)N(Cc2ccccc2Br)C2CCN(C)CC2)cs1 ZINC001298822451 1064623969 /nfs/dbraw/zinc/62/39/69/1064623969.db2.gz ZJMAZLPTHGRAES-UHFFFAOYSA-N 0 3 452.374 3.429 20 0 JGADHN Cn1cc(Cn2c(-c3ccc(Br)cc3)nnc2N2CCN(C(C)(C)C)CC2)cn1 ZINC001298828107 1064632180 /nfs/dbraw/zinc/63/21/80/1064632180.db2.gz PTTYRJCLEJKZHD-UHFFFAOYSA-N 0 3 458.408 3.410 20 0 JGADHN COc1cccc([C@H]2[C@@H](C(=O)N(C)CCCN(C)Cc3ccncc3)CC(=O)N2C2CC2)c1 ZINC001298847730 1064652237 /nfs/dbraw/zinc/65/22/37/1064652237.db2.gz WWFIJTUAGDORAH-ZCYQVOJMSA-N 0 3 450.583 3.123 20 0 JGADHN CN1CCCC(C)(C)[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001298884847 1064690446 /nfs/dbraw/zinc/69/04/46/1064690446.db2.gz FJVZRZLBZRHYME-KRWDZBQOSA-N 0 3 465.524 3.203 20 0 JGADHN CN1CCCC(C)(C)[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001298884848 1064691103 /nfs/dbraw/zinc/69/11/03/1064691103.db2.gz FJVZRZLBZRHYME-QGZVFWFLSA-N 0 3 465.524 3.203 20 0 JGADHN COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)c(OC)c1 ZINC001298885493 1064692083 /nfs/dbraw/zinc/69/20/83/1064692083.db2.gz GBUMZBLAMDYELQ-OFAXGOBFSA-N 0 3 451.567 3.088 20 0 JGADHN C[C@@H]1[C@H](NC(=O)CN(C)C(=O)c2ccc(Br)s2)CCN1Cc1ccccc1 ZINC001298885977 1064692788 /nfs/dbraw/zinc/69/27/88/1064692788.db2.gz HQRVTAGCLTWCGG-GDBMZVCRSA-N 0 3 450.402 3.362 20 0 JGADHN Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H]2C)cc1 ZINC001298888912 1064698899 /nfs/dbraw/zinc/69/88/99/1064698899.db2.gz PQCMMUMBSUMMHU-OYDLWJJNSA-N 0 3 457.640 3.467 20 0 JGADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CCCOC2CCCCC2)CC1 ZINC001298890000 1064699557 /nfs/dbraw/zinc/69/95/57/1064699557.db2.gz YDEXWBNCTPYGKK-OAQYLSRUSA-N 0 3 460.667 3.058 20 0 JGADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)C(F)(F)F)CC1 ZINC001298890168 1064700148 /nfs/dbraw/zinc/70/01/48/1064700148.db2.gz ZSQVUVLGKYVYNS-SFHVURJKSA-N 0 3 470.584 3.342 20 0 JGADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(-c3ccccc3)n2CCCC(F)(F)F)CC1 ZINC001298890042 1064700440 /nfs/dbraw/zinc/70/04/40/1064700440.db2.gz ZFPAVKGORWFBIZ-SFHVURJKSA-N 0 3 450.509 3.030 20 0 JGADHN CN(C)[C@H](Cn1c(-c2ccccc2Br)nnc1N1CCN(C)C(=O)C1)c1cccs1 ZINC001298891015 1064700833 /nfs/dbraw/zinc/70/08/33/1064700833.db2.gz NUMFOCTYNQJYPQ-QGZVFWFLSA-N 0 3 489.443 3.350 20 0 JGADHN CN(C)[C@@H](Cn1c(-c2ccccc2Br)nnc1N1CCN(C)C(=O)C1)c1cccs1 ZINC001298891014 1064700969 /nfs/dbraw/zinc/70/09/69/1064700969.db2.gz NUMFOCTYNQJYPQ-KRWDZBQOSA-N 0 3 489.443 3.350 20 0 JGADHN CN1CCN(CCn2c([C@@H]3CCCCO3)nnc2N2CCC[C@H](C(F)(F)F)C2)CC1(C)C ZINC001298896871 1064703620 /nfs/dbraw/zinc/70/36/20/1064703620.db2.gz IRLVABCDDHSPSY-ROUUACIJSA-N 0 3 458.573 3.324 20 0 JGADHN CNC(=O)[C@]1(C)CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)N2CCC(C)CC2)C1 ZINC001298999466 1064779291 /nfs/dbraw/zinc/77/92/91/1064779291.db2.gz LHQLLKNJQQOYLS-JIPXPUAJSA-N 0 3 495.672 3.230 20 0 JGADHN CCN1CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)N[C@@H]3CCCC[C@@H]3C)c2)[C@H](C)C1 ZINC001299010448 1064794175 /nfs/dbraw/zinc/79/41/75/1064794175.db2.gz UQBYKSSFGXKHJY-NLWGTHIKSA-N 0 3 451.633 3.109 20 0 JGADHN CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](c2cccs2)N(C)C)C1 ZINC001299016181 1064800169 /nfs/dbraw/zinc/80/01/69/1064800169.db2.gz UXMOMIURQYUDRU-AVRWGWEMSA-N 0 3 498.653 3.289 20 0 JGADHN O=C(Nc1cnn(Cc2ccc(Br)cc2Cl)c1)C1CN(C2CCOCC2)C1 ZINC001299083756 1064887385 /nfs/dbraw/zinc/88/73/85/1064887385.db2.gz URVVDWRQTBHJJJ-UHFFFAOYSA-N 0 3 453.768 3.397 20 0 JGADHN CNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001299118424 1064925657 /nfs/dbraw/zinc/92/56/57/1064925657.db2.gz KBSFABUAKVMNJD-HXUWFJFHSA-N 0 3 470.618 3.335 20 0 JGADHN CNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 ZINC001299119249 1064927801 /nfs/dbraw/zinc/92/78/01/1064927801.db2.gz ABDXBWYTWIVSCP-OAQYLSRUSA-N 0 3 470.618 3.335 20 0 JGADHN COC1(C)CN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001299775506 1064976842 /nfs/dbraw/zinc/97/68/42/1064976842.db2.gz QQEFTCDTNNANSY-SFHVURJKSA-N 0 3 477.053 3.323 20 0 JGADHN CO[C@@]1(Cn2c(COc3cc(C)ccc3C)nnc2N2CCN(CC(C)C)CC2)CCOC1 ZINC001299817359 1065011288 /nfs/dbraw/zinc/01/12/88/1065011288.db2.gz SOCADNAYKWSDKC-RUZDIDTESA-N 0 3 457.619 3.057 20 0 JGADHN COc1cc(C)cc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCN(CC(C)C)CC2)c1 ZINC001299828413 1065021553 /nfs/dbraw/zinc/02/15/53/1065021553.db2.gz XIFNMRMJVMKECV-UHFFFAOYSA-N 0 3 463.586 3.069 20 0 JGADHN COc1cc(-c2nnc(N3C[C@@H](OC)C(C)(C)C3)n2CCN2CC=CCC2)cc(OC)c1OC ZINC001299843256 1065040393 /nfs/dbraw/zinc/04/03/93/1065040393.db2.gz IBYJGHHNNBFHTP-OAQYLSRUSA-N 0 3 471.602 3.094 20 0 JGADHN COc1cc(-c2nnc(N3CCNC(=O)CC3)n2C[C@H](c2cccs2)N(C)C)ccc1OC(C)C ZINC001299856848 1065065660 /nfs/dbraw/zinc/06/56/60/1065065660.db2.gz GOOHKUDMQOZZKH-LJQANCHMSA-N 0 3 498.653 3.432 20 0 JGADHN COc1cc(-c2nnc(N3CCN(CC(C)C)CC3)n2C[C@H]2CCOC[C@@H]2C)cc(OC)c1OC ZINC001299857823 1065068715 /nfs/dbraw/zinc/06/87/15/1065068715.db2.gz ZMUICPPBPRPENN-VQTJNVASSA-N 0 3 487.645 3.422 20 0 JGADHN COc1cc(-c2nnc(N3CCN(C4CCCC4)CC3)n2C[C@@H](C)OC)cc(OC)c1OC ZINC001299858457 1065070596 /nfs/dbraw/zinc/07/05/96/1065070596.db2.gz OFFDNPHTGXNDCW-QGZVFWFLSA-N 0 3 459.591 3.070 20 0 JGADHN COc1cc(CN(C)c2nnc(C(C)(C)C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)cc(OC)c1 ZINC001299869233 1065086547 /nfs/dbraw/zinc/08/65/47/1065086547.db2.gz BSWVBIPTNAABLD-JOCHJYFZSA-N 0 3 486.661 3.172 20 0 JGADHN COc1cc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCN(CC(C)C)CC2)ccc1C ZINC001299888975 1065115749 /nfs/dbraw/zinc/11/57/49/1065115749.db2.gz KGBMORGBIAOOFK-UHFFFAOYSA-N 0 3 451.619 3.283 20 0 JGADHN COc1cc(Cl)ccc1-c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1C[C@@H](C(C)C)N1CCCC1 ZINC001299894324 1065124472 /nfs/dbraw/zinc/12/44/72/1065124472.db2.gz BCEILNATUSDPIX-ICSRJNTNSA-N 0 3 496.077 3.351 20 0 JGADHN COc1cc(Cl)ccc1-c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@]1(C)CN(C)C1=O ZINC001299908021 1065151265 /nfs/dbraw/zinc/15/12/65/1065151265.db2.gz ORLCWZWJOFWINI-QHCPKHFHSA-N 0 3 461.010 3.006 20 0 JGADHN COc1cc(Cl)ccc1-c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@]1(OC)CCOC1 ZINC001299908410 1065152717 /nfs/dbraw/zinc/15/27/17/1065152717.db2.gz UPLIGAMOSRYILS-HSZRJFAPSA-N 0 3 464.010 3.333 20 0 JGADHN COc1cc(Cl)ccc1-c1nnc(N2CCS(=O)(=O)CC2)n1CCCN1CCCC[C@H]1C ZINC001299910636 1065160066 /nfs/dbraw/zinc/16/00/66/1065160066.db2.gz CFQGAHCIHMIQME-QGZVFWFLSA-N 0 3 482.050 3.106 20 0 JGADHN COc1cc(OC)cc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@]2(O)CCC[C@H]2C)c1 ZINC001299951945 1065230402 /nfs/dbraw/zinc/23/04/02/1065230402.db2.gz WYEGVJFPKCXZQT-IQGLISFBSA-N 0 3 457.619 3.434 20 0 JGADHN COc1ccc(-c2nnc(N(C)[C@@H](C)CS(C)(=O)=O)n2CC(C)(C)N2CCC[C@@H](C)C2)cc1 ZINC001299995604 1065303151 /nfs/dbraw/zinc/30/31/51/1065303151.db2.gz QUPWEJQMJSLNMJ-MOPGFXCFSA-N 0 3 477.675 3.334 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N(C)C3CCC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)cc1C ZINC001492235149 1065335486 /nfs/dbraw/zinc/33/54/86/1065335486.db2.gz KATVWTRSMIKFRR-QFIPXVFZSA-N 0 3 481.645 3.079 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCC(CN4CCOCC4)CC3)n2C[C@](C)(O)C(C)C)cc1C ZINC001492250411 1065350560 /nfs/dbraw/zinc/35/05/60/1065350560.db2.gz MPMAYAJLJWYCET-MHZLTWQESA-N 0 3 498.672 3.103 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CC[C@H](C)[C@H]3C)n2C[C@H]2CCCN2CCCO)cc1C ZINC001492250714 1065350593 /nfs/dbraw/zinc/35/05/93/1065350593.db2.gz QAFPJQKRZMSDAS-CZTZKLFOSA-N 0 3 454.619 3.229 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CCN(CC(C)C)C(=O)C3)n2CCN2CCC(C)CC2)cc1C ZINC001492268147 1065364215 /nfs/dbraw/zinc/36/42/15/1065364215.db2.gz SWHNFPWEYKLZFJ-UHFFFAOYSA-N 0 3 495.672 3.184 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@H]2N(C)CCCC2(C)C)cc1C ZINC001492276761 1065371220 /nfs/dbraw/zinc/37/12/20/1065371220.db2.gz QWDGAPANGFIZRR-BVYCBKJFSA-N 0 3 468.646 3.475 20 0 JGADHN Cc1ccc(O[C@H](C)Cn2c(C(=O)Nc3ccccn3)nnc2N2CCN(CC(C)C)CC2)cc1 ZINC001492288349 1065382604 /nfs/dbraw/zinc/38/26/04/1065382604.db2.gz LMULHANQHPPJHF-OAQYLSRUSA-N 0 3 477.613 3.479 20 0 JGADHN Cc1ccc(NC(=O)c2nnc(N(C)Cc3ccco3)n2CCN2CCN(C)C(C)(C)C2)cc1C ZINC001492238588 1065384080 /nfs/dbraw/zinc/38/40/80/1065384080.db2.gz UBGXIXREJXMQQM-UHFFFAOYSA-N 0 3 479.629 3.403 20 0 JGADHN Cc1ccc(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2C[C@H](C2CCCCC2)N(C)C)cc1 ZINC001492363663 1065425758 /nfs/dbraw/zinc/42/57/58/1065425758.db2.gz LMMJJYMWUCOQSE-XZOQPEGZSA-N 0 3 489.686 3.299 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2CCN(C)C2CCCC2)cc1 ZINC001492376873 1065439848 /nfs/dbraw/zinc/43/98/48/1065439848.db2.gz FFCHXXKZZQCYEI-HSZRJFAPSA-N 0 3 489.686 3.443 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCS[C@H](C)C3)n2CCN2CCN(C)C(C)(C)C2)cc1 ZINC001492400993 1065469889 /nfs/dbraw/zinc/46/98/89/1065469889.db2.gz HDIFSFIRFMYTIK-HXUWFJFHSA-N 0 3 458.676 3.133 20 0 JGADHN Cc1ccc(OCCCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC001492415422 1065477155 /nfs/dbraw/zinc/47/71/55/1065477155.db2.gz AUZLYPKKYAAWHS-HSZRJFAPSA-N 0 3 482.673 3.387 20 0 JGADHN Cc1ccc(OCCN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN(C(C)C)C2)cc1 ZINC001492421501 1065482103 /nfs/dbraw/zinc/48/21/03/1065482103.db2.gz QPQIDTPBSHRFCH-VXKWHMMOSA-N 0 3 489.686 3.124 20 0 JGADHN CC(C)C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)c(Cl)cc1Cl ZINC001300873266 1065649305 /nfs/dbraw/zinc/64/93/05/1065649305.db2.gz KSPJAGBPVLYEHO-AWEZNQCLSA-N 0 3 450.432 3.389 20 0 JGADHN CC(C)C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c(Cl)cc1Cl ZINC001300873266 1065649313 /nfs/dbraw/zinc/64/93/13/1065649313.db2.gz KSPJAGBPVLYEHO-AWEZNQCLSA-N 0 3 450.432 3.389 20 0 JGADHN CO[C@H]1COCC[C@@H]1Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CC(C)C)CC1 ZINC001300878101 1065661519 /nfs/dbraw/zinc/66/15/19/1065661519.db2.gz YTVWNYDSXKDOHD-VWNXMTODSA-N 0 3 471.646 3.303 20 0 JGADHN COCC(C)(C)CCCn1c(N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)nnc1C(C)(C)C ZINC001300926383 1065724325 /nfs/dbraw/zinc/72/43/25/1065724325.db2.gz CJFMRCYNUMKADW-IRLDBZIGSA-N 0 3 476.710 3.407 20 0 JGADHN COCC(C)(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001300930311 1065729951 /nfs/dbraw/zinc/72/99/51/1065729951.db2.gz HVFGJQIKDGESRP-UHFFFAOYSA-N 0 3 477.053 3.455 20 0 JGADHN COCC(C)(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001300949216 1065752021 /nfs/dbraw/zinc/75/20/21/1065752021.db2.gz MIMQLJKXLLSVHX-UHFFFAOYSA-N 0 3 471.646 3.448 20 0 JGADHN COC[C@@H](C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001300957320 1065763190 /nfs/dbraw/zinc/76/31/90/1065763190.db2.gz FEAYLYHWXZKVCP-ZWKOTPCHSA-N 0 3 478.435 3.149 20 0 JGADHN COC[C@H](C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001300981951 1065793802 /nfs/dbraw/zinc/79/38/02/1065793802.db2.gz ZGHHSFFKAICBJY-HXUWFJFHSA-N 0 3 453.635 3.357 20 0 JGADHN COC[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CCC(C)(C)C)CC1)OC ZINC001300998229 1065817848 /nfs/dbraw/zinc/81/78/48/1065817848.db2.gz IHUZIZJIBDKGGY-QFIPXVFZSA-N 0 3 486.661 3.367 20 0 JGADHN COC[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C2CCCCC2)CC1)OC ZINC001301031459 1065871627 /nfs/dbraw/zinc/87/16/27/1065871627.db2.gz XELDDIOVLWQRSG-JOCHJYFZSA-N 0 3 461.582 3.112 20 0 JGADHN COC[C@@H](F)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001301078124 1065928622 /nfs/dbraw/zinc/92/86/22/1065928622.db2.gz UJDNSVBVBYJBTB-GOTSBHOMSA-N 0 3 488.652 3.063 20 0 JGADHN COC[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)N(C)Cc2ccccc2)C1 ZINC001301255876 1066070775 /nfs/dbraw/zinc/07/07/75/1066070775.db2.gz IGLVMHGAAJOYLV-IRLDBZIGSA-N 0 3 477.613 3.309 20 0 JGADHN COC[C@@H]1CCCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](c2ccccc2)N(C)C)C1 ZINC001301260670 1066075251 /nfs/dbraw/zinc/07/52/51/1066075251.db2.gz DGMWRNSNLXIXIJ-JJTGBXKASA-N 0 3 471.646 3.484 20 0 JGADHN COC[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001301265608 1066081100 /nfs/dbraw/zinc/08/11/00/1066081100.db2.gz LHMUERURAGTXDI-LJQANCHMSA-N 0 3 491.080 3.496 20 0 JGADHN COC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCN(C)Cc2ccc(F)cc2)C[C@H](C)O1 ZINC001301386363 1066173795 /nfs/dbraw/zinc/17/37/95/1066173795.db2.gz CWSQEEMUUTZGMY-YUXAGFNASA-N 0 3 461.582 3.031 20 0 JGADHN COC[C@@H]1CN(c2nnc(Cc3cccnc3)n2C[C@H](c2ccc(C)cc2)N(C)C)C[C@@H](C)O1 ZINC001301397814 1066178764 /nfs/dbraw/zinc/17/87/64/1066178764.db2.gz VKJOYFRKKNIFAR-FGCOXFRFSA-N 0 3 464.614 3.115 20 0 JGADHN COC[C@H]1CN(c2nnc(Cc3ccsc3)n2CCN(C)Cc2ccc(F)cc2)C[C@@H](C)O1 ZINC001301398367 1066179448 /nfs/dbraw/zinc/17/94/48/1066179448.db2.gz CYLYXQQLUIXNEI-XMSQKQJNSA-N 0 3 473.618 3.442 20 0 JGADHN COC[C@H]1CN(c2nnc(COc3cc(C)ccc3C)n2CCN2CCCCC2)C[C@H](C)O1 ZINC001301404846 1066186981 /nfs/dbraw/zinc/18/69/81/1066186981.db2.gz HGKXPJYIPYPQFX-FCHUYYIVSA-N 0 3 457.619 3.200 20 0 JGADHN CC(=O)NCCN(Cc1ccc(C)s1)c1nnc(C)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001301945964 1066235945 /nfs/dbraw/zinc/23/59/45/1066235945.db2.gz WSJZNIPUTZTKKP-DEOSSOPVSA-N 0 3 496.681 3.390 20 0 JGADHN C[C@H]([C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CCCN1CCCC1)S(C)(=O)=O ZINC001301981637 1066289628 /nfs/dbraw/zinc/28/96/28/1066289628.db2.gz HLMAAXZHPFNBGV-DLBZAZTESA-N 0 3 498.491 3.451 20 0 JGADHN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H](C1CC1)N(C)C ZINC001301983812 1066292287 /nfs/dbraw/zinc/29/22/87/1066292287.db2.gz QIYKAYRENWQIRR-CLCXKQKWSA-N 0 3 498.491 3.306 20 0 JGADHN C[C@H]([C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1CC1(N(C)C)CCC1)S(C)(=O)=O ZINC001301983515 1066292309 /nfs/dbraw/zinc/29/23/09/1066292309.db2.gz PCRPCBUYHHRQMK-JKSUJKDBSA-N 0 3 498.491 3.450 20 0 JGADHN COCCC1(Cn2c(CC(C)C)nnc2N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)CCCC1 ZINC001301480141 1066301277 /nfs/dbraw/zinc/30/12/77/1066301277.db2.gz KMMKBRJCBIWHEV-UPVQGACJSA-N 0 3 488.721 3.452 20 0 JGADHN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCN(CCc2ccccc2)C1 ZINC001301990987 1066310354 /nfs/dbraw/zinc/31/03/54/1066310354.db2.gz MERLPQUJWWLFPO-SJBKTWHCSA-N 0 3 484.670 3.096 20 0 JGADHN C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCN1CCCCC1 ZINC001301993473 1066318250 /nfs/dbraw/zinc/31/82/50/1066318250.db2.gz WDVBVXPMODGEKS-NHCUHLMSSA-N 0 3 499.685 3.265 20 0 JGADHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC1(N(C)C)CCCC1 ZINC001301994632 1066320062 /nfs/dbraw/zinc/32/00/62/1066320062.db2.gz CVSJTXBRTVFCGP-MOPGFXCFSA-N 0 3 486.686 3.482 20 0 JGADHN C[C@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(Cc2ccsc2)n1CC1(N(C)C)CCCC1 ZINC001301994896 1066321195 /nfs/dbraw/zinc/32/11/95/1066321195.db2.gz DWMUJYCLIDBBKT-SJORKVTESA-N 0 3 453.678 3.063 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CC=CCC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001301999600 1066332050 /nfs/dbraw/zinc/33/20/50/1066332050.db2.gz HESRVTALTDNJRA-FYYLOGMGSA-N 0 3 455.603 3.060 20 0 JGADHN COCC[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001301516088 1066344712 /nfs/dbraw/zinc/34/47/12/1066344712.db2.gz JIYIJBJXJMLAEP-NRFANRHFSA-N 0 3 475.081 3.411 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCc3cc(C)ccc32)n1CCN1CCN(C)C(C)(C)C1 ZINC001302043030 1066421518 /nfs/dbraw/zinc/42/15/18/1066421518.db2.gz LYMZWBUSHMZNLP-FQEVSTJZSA-N 0 3 456.635 3.031 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1C[C@@H](c1cccs1)N(C)C ZINC001302070929 1066477606 /nfs/dbraw/zinc/47/76/06/1066477606.db2.gz FHDPHHAREACVNH-ZRNYENFQSA-N 0 3 463.648 3.372 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccnc(C(F)(F)F)c1 ZINC001302077978 1066490615 /nfs/dbraw/zinc/49/06/15/1066490615.db2.gz DSZHBRFFHBATRL-INIZCTEOSA-N 0 3 470.540 3.385 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1CCc1ccn(-c2ccc(F)cc2)n1 ZINC001302077943 1066490669 /nfs/dbraw/zinc/49/06/69/1066490669.db2.gz DHJVDNVXCJHIMR-HXUWFJFHSA-N 0 3 499.635 3.490 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccc2c(c1)OCCCO2 ZINC001302081227 1066500191 /nfs/dbraw/zinc/50/01/91/1066500191.db2.gz SAGOQHUQDIQYBC-LJQANCHMSA-N 0 3 473.618 3.132 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccc(-n2nc(C)cc2C)nc1 ZINC001302082324 1066502333 /nfs/dbraw/zinc/50/23/33/1066502333.db2.gz XFUKKBSHUADCPB-OAQYLSRUSA-N 0 3 496.660 3.168 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1csc([C@H](C)OC)n1 ZINC001302082374 1066502715 /nfs/dbraw/zinc/50/27/15/1066502715.db2.gz XUCXTDKOCGWJHU-SJORKVTESA-N 0 3 466.652 3.135 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1cccc(N2CCCC2=O)c1 ZINC001302083409 1066504556 /nfs/dbraw/zinc/50/45/56/1066504556.db2.gz ZTHPORYQSOLKDN-FQEVSTJZSA-N 0 3 484.645 3.098 20 0 JGADHN CC(C)(C)c1nnc(N2CCN(C(C)(C)C)CC2)n1CC[C@H](N1CCOCC1)C(F)(F)F ZINC001302087855 1066513438 /nfs/dbraw/zinc/51/34/38/1066513438.db2.gz YRJAVIJMIYHTOM-KRWDZBQOSA-N 0 3 460.589 3.149 20 0 JGADHN CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccn3C)n2C[C@H](c2cccc(F)c2)N(C)C)C1 ZINC001301650945 1066517643 /nfs/dbraw/zinc/51/76/43/1066517643.db2.gz QXQZRZOVEUVFCF-AUSIDOKSSA-N 0 3 467.593 3.030 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCN(C3CCC(C)CC3)CC2)n1Cc1ccc(NC(C)=O)nc1 ZINC001302094343 1066522776 /nfs/dbraw/zinc/52/27/76/1066522776.db2.gz QCJQXXQRCRQEFU-LRZVDXDASA-N 0 3 499.660 3.105 20 0 JGADHN COCCO[C@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CC(C)(C)C(C)C ZINC001302095253 1066524508 /nfs/dbraw/zinc/52/45/08/1066524508.db2.gz UERWFTKXEMEAMB-VQTJNVASSA-N 0 3 451.656 3.374 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CC(C)(C)C(C)C ZINC001302095251 1066524536 /nfs/dbraw/zinc/52/45/36/1066524536.db2.gz UERWFTKXEMEAMB-PMACEKPBSA-N 0 3 451.656 3.374 20 0 JGADHN COCCO[C@@H](C)c1nnc(N2CCO[C@H](C(C)C)C2)n1CC1(N2CCSCC2)CCCC1 ZINC001302096408 1066527162 /nfs/dbraw/zinc/52/71/62/1066527162.db2.gz GUMIWDKKKFLUCX-SFTDATJTSA-N 0 3 481.707 3.225 20 0 JGADHN CC(C)(C)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1Cc1cccc(C(F)(F)F)n1 ZINC001302096677 1066527508 /nfs/dbraw/zinc/52/75/08/1066527508.db2.gz NJWMHBLOWLAVTG-INIZCTEOSA-N 0 3 452.525 3.196 20 0 JGADHN COCCCOC1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCN2CC=CCC2)CC1 ZINC001301672343 1066550587 /nfs/dbraw/zinc/55/05/87/1066550587.db2.gz KPSNVKDFZQAIRF-UHFFFAOYSA-N 0 3 493.450 3.320 20 0 JGADHN CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)NC[C@H]1CCN1C1CCCC1 ZINC001302126119 1066569367 /nfs/dbraw/zinc/56/93/67/1066569367.db2.gz RHXGUZNRRQZSNC-RTWAWAEBSA-N 0 3 459.587 3.146 20 0 JGADHN CC(C)(C)Cc1nnc(N2CCC(CO)CC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001302136074 1066582048 /nfs/dbraw/zinc/58/20/48/1066582048.db2.gz PXVJGEJTMJELLR-QHCPKHFHSA-N 0 3 455.647 3.367 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(Cc4csc(C)n4)n3CCC(C)(F)F)C[C@H]2C)CC1 ZINC001301708000 1066598879 /nfs/dbraw/zinc/59/88/79/1066598879.db2.gz GUWULBMJBJKZEQ-OXQOHEQNSA-N 0 3 495.644 3.058 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(Cc4csc(C)n4)n3CCC(C)(F)F)C[C@H]2C)CC1 ZINC001301708001 1066599041 /nfs/dbraw/zinc/59/90/41/1066599041.db2.gz GUWULBMJBJKZEQ-UZLBHIALSA-N 0 3 495.644 3.058 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(C(C)C)n3CCCOc3ccccc3)C[C@H]2C)CC1 ZINC001301708297 1066599745 /nfs/dbraw/zinc/59/97/45/1066599745.db2.gz KVVNWQHAKNDLJJ-ZJSXRUAMSA-N 0 3 468.646 3.250 20 0 JGADHN COCCO[C@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@@H](c2ccsc2)N(C)C)C1 ZINC001302151540 1066602823 /nfs/dbraw/zinc/60/28/23/1066602823.db2.gz MBECGDFWONOLEN-FPOVZHCZSA-N 0 3 456.616 3.336 20 0 JGADHN CC(=O)N1CCCN([C@H]2CN(c3nnc(C(C)C)n3CCc3sc(C)nc3C)C[C@H]2C)CC1 ZINC001301710318 1066604802 /nfs/dbraw/zinc/60/48/02/1066604802.db2.gz YLLWATXYWQTZRB-UTKZUKDTSA-N 0 3 473.691 3.096 20 0 JGADHN CC(=O)N1CCCN([C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@H]3CSCCS3)C[C@@H]2C)CC1 ZINC001301710566 1066604852 /nfs/dbraw/zinc/60/48/52/1066604852.db2.gz ZGXLSKYVUFIHRL-SESVDKBCSA-N 0 3 494.775 3.094 20 0 JGADHN COCCN(C)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001301722460 1066630303 /nfs/dbraw/zinc/63/03/03/1066630303.db2.gz QRTPCBUEAKXGHK-RXVVDRJESA-N 0 3 463.598 3.387 20 0 JGADHN COCCO[C@@H]1CCN(c2nnc(-c3ccc(Br)cc3)n2CCN2CC=CCC2)C1 ZINC001302166711 1066630938 /nfs/dbraw/zinc/63/09/38/1066630938.db2.gz LFSXJKAMGOSQPP-HXUWFJFHSA-N 0 3 476.419 3.211 20 0 JGADHN COCCN(C)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCS[C@H](C)[C@@H]1C ZINC001301723148 1066633649 /nfs/dbraw/zinc/63/36/49/1066633649.db2.gz XDJGFGOMVMYNRB-OKZBNKHCSA-N 0 3 451.612 3.466 20 0 JGADHN COCCN(C)CCn1c([C@@H]2CCCOC2)nnc1N1CCc2cc(Br)ccc2C1 ZINC001301732400 1066652106 /nfs/dbraw/zinc/65/21/06/1066652106.db2.gz SGUWCPZJTOELGA-LJQANCHMSA-N 0 3 478.435 3.076 20 0 JGADHN COCCN(C)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H]2CCC[C@H]21 ZINC001301732889 1066653436 /nfs/dbraw/zinc/65/34/36/1066653436.db2.gz WSBRGYGGXNKLIN-TZIWHRDSSA-N 0 3 476.666 3.350 20 0 JGADHN COCCN(C)CCn1c(Cc2ccccn2)nnc1N1CCc2c(F)cc(F)cc2[C@H]1C ZINC001301733650 1066653779 /nfs/dbraw/zinc/65/37/79/1066653779.db2.gz HNEWYKGYWQGELR-QGZVFWFLSA-N 0 3 456.541 3.244 20 0 JGADHN COCCN(C)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCCCCC1 ZINC001301733332 1066653893 /nfs/dbraw/zinc/65/38/93/1066653893.db2.gz XSAINYCRHBVDIR-HXUWFJFHSA-N 0 3 464.655 3.351 20 0 JGADHN COCCN(C)CCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001301733889 1066654655 /nfs/dbraw/zinc/65/46/55/1066654655.db2.gz JVJIDLSKWJPEAV-GDBMZVCRSA-N 0 3 461.479 3.360 20 0 JGADHN CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](c2ccc(C)cc2)N(C)C)[C@H](C)C1 ZINC001301734594 1066655986 /nfs/dbraw/zinc/65/59/86/1066655986.db2.gz XTSIMEKLIWRFBF-PTUXOGIPSA-N 0 3 454.619 3.188 20 0 JGADHN COCCOC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 ZINC001302180450 1066658348 /nfs/dbraw/zinc/65/83/48/1066658348.db2.gz ZKVMRQUMAAEFHY-LADGPHEKSA-N 0 3 471.646 3.415 20 0 JGADHN COCCOC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 ZINC001302180449 1066658377 /nfs/dbraw/zinc/65/83/77/1066658377.db2.gz ZKVMRQUMAAEFHY-ISKFKSNPSA-N 0 3 471.646 3.415 20 0 JGADHN COCCN(C)CCn1c(Cc2csc(C)n2)nnc1N1CCN(c2cc(C)ccc2C)CC1 ZINC001301737488 1066659280 /nfs/dbraw/zinc/65/92/80/1066659280.db2.gz YUAZBBQIRZCPFV-UHFFFAOYSA-N 0 3 483.686 3.155 20 0 JGADHN COCCN(C)CCn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001301737381 1066659321 /nfs/dbraw/zinc/65/93/21/1066659321.db2.gz XQJMGIVFLSFJLH-IAGOWNOFSA-N 0 3 454.040 3.419 20 0 JGADHN COCCN(C)CCn1c(Cc2ccsc2)nnc1N1CCCN(c2ccccc2)CC1 ZINC001301737112 1066659629 /nfs/dbraw/zinc/65/96/29/1066659629.db2.gz UGGGIUVTXXCTAD-UHFFFAOYSA-N 0 3 454.644 3.225 20 0 JGADHN COCCN(C)CCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@@H]1CCO[C@H]1C(C)(C)C ZINC001301740061 1066660730 /nfs/dbraw/zinc/66/07/30/1066660730.db2.gz IOKZZIWFLHPFRS-FGTMMUONSA-N 0 3 467.565 3.295 20 0 JGADHN COCCN(C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC([C@H]2CCCO2)CC1 ZINC001301739868 1066660941 /nfs/dbraw/zinc/66/09/41/1066660941.db2.gz GHLUAWHTAGXDAP-YPAWHYETSA-N 0 3 463.667 3.170 20 0 JGADHN COCCN(C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001301740376 1066661375 /nfs/dbraw/zinc/66/13/75/1066661375.db2.gz JLAGNDDQXMPEFP-RTBURBONSA-N 0 3 451.656 3.169 20 0 JGADHN COCCN(C)CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCOC2(CCOCC2)C1 ZINC001301740427 1066662167 /nfs/dbraw/zinc/66/21/67/1066662167.db2.gz KOZREEGLSPMYCB-UHFFFAOYSA-N 0 3 496.077 3.188 20 0 JGADHN CC(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001301743219 1066667044 /nfs/dbraw/zinc/66/70/44/1066667044.db2.gz DZZCUUFIIRMRHJ-HXUWFJFHSA-N 0 3 456.591 3.041 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(C)CCCO2)CC1 ZINC001302191272 1066674282 /nfs/dbraw/zinc/67/42/82/1066674282.db2.gz XSIJTHMRGIUMFQ-XMMPIXPASA-N 0 3 455.607 3.053 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCO2)CC1 ZINC001302191796 1066675533 /nfs/dbraw/zinc/67/55/33/1066675533.db2.gz BPALBDVQKUKBPN-SFHVURJKSA-N 0 3 460.648 3.007 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(CCc3ccccc3)n2Cc2ccc(C(N)=O)nc2)CC1 ZINC001302192510 1066676957 /nfs/dbraw/zinc/67/69/57/1066676957.db2.gz JDGIDSJQZBRBAL-UHFFFAOYSA-N 0 3 475.641 3.164 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(CC3CC3)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001302192461 1066676982 /nfs/dbraw/zinc/67/69/82/1066676982.db2.gz IGWBJBWWKQCQTF-UHFFFAOYSA-N 0 3 489.686 3.271 20 0 JGADHN CC(C)(C)CCN1CCN(c2nnc(C3CCC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001302192898 1066678310 /nfs/dbraw/zinc/67/83/10/1066678310.db2.gz MZWCRIWBIKYDIU-LJQANCHMSA-N 0 3 472.600 3.367 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCC(F)(F)F)CC1 ZINC001302202087 1066697462 /nfs/dbraw/zinc/69/74/62/1066697462.db2.gz CUGJVBPNYMSEBC-UHFFFAOYSA-N 0 3 463.512 3.184 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC[C@H]2CCOC2)CC1 ZINC001302202872 1066698681 /nfs/dbraw/zinc/69/86/81/1066698681.db2.gz LQJHANXIYGSIQF-HNNXBMFYSA-N 0 3 451.413 3.383 20 0 JGADHN CC(C)(C)N1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCCCCS(C)(=O)=O)CC1 ZINC001302204181 1066701315 /nfs/dbraw/zinc/70/13/15/1066701315.db2.gz YDXBSILZOYWQOQ-UHFFFAOYSA-N 0 3 499.685 3.471 20 0 JGADHN CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1CCc1ccncc1 ZINC001302239757 1066762251 /nfs/dbraw/zinc/76/22/51/1066762251.db2.gz CROCBTKTILSEDB-OAQYLSRUSA-N 0 3 499.660 3.145 20 0 JGADHN COCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001301818742 1066779599 /nfs/dbraw/zinc/77/95/99/1066779599.db2.gz RWHSOWYTAGVVHR-TZIWHRDSSA-N 0 3 477.053 3.323 20 0 JGADHN COCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC001301818748 1066779717 /nfs/dbraw/zinc/77/97/17/1066779717.db2.gz RXOWBXAZIOCFCT-UHFFFAOYSA-N 0 3 475.037 3.209 20 0 JGADHN CC(=O)N[C@H]1CCCN(c2nnc(Cc3csc(C)n3)n2CCN(C)Cc2ccc(F)cc2)C1 ZINC001301830203 1066796057 /nfs/dbraw/zinc/79/60/57/1066796057.db2.gz WGBBGNHHWPZVRR-NRFANRHFSA-N 0 3 485.633 3.010 20 0 JGADHN CC(C)(C)OC(=O)NCCn1c(Cc2ccccc2F)nnc1N1CCN(C(C)(C)C)CC1 ZINC001302274570 1066836448 /nfs/dbraw/zinc/83/64/48/1066836448.db2.gz AUKRITOCFXDCGW-UHFFFAOYSA-N 0 3 460.598 3.453 20 0 JGADHN CC(C)(C)OC(=O)NCCn1c(CCCc2ccccc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001302276109 1066841984 /nfs/dbraw/zinc/84/19/84/1066841984.db2.gz YGJCLWFEAQKFMF-QHCPKHFHSA-N 0 3 498.672 3.137 20 0 JGADHN CC(C)C[C@H](C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC001301866295 1066857465 /nfs/dbraw/zinc/85/74/65/1066857465.db2.gz BQMNKXIUMZRMPW-ISBMVONUSA-N 0 3 451.611 3.379 20 0 JGADHN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1C ZINC001301870114 1066861432 /nfs/dbraw/zinc/86/14/32/1066861432.db2.gz YCQUSJJTCFYOSS-LLGFUMIMSA-N 0 3 450.004 3.034 20 0 JGADHN COCCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCN2CC=CCC2)CC1 ZINC001301877253 1066879750 /nfs/dbraw/zinc/87/97/50/1066879750.db2.gz LENUNPDFJKVCFG-HSZRJFAPSA-N 0 3 468.646 3.065 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H](Cc1ccccc1)OC ZINC001302305395 1066894296 /nfs/dbraw/zinc/89/42/96/1066894296.db2.gz OLJTUVBZKLYLBY-VABKMULXSA-N 0 3 471.646 3.180 20 0 JGADHN CC(C)(C)OC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CC=CCC2)CC1 ZINC001302305790 1066895301 /nfs/dbraw/zinc/89/53/01/1066895301.db2.gz HLPRCDJDOGQWKR-UHFFFAOYSA-N 0 3 472.659 3.315 20 0 JGADHN COCCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCc2n[nH]c(C)n2)C[C@@H]1C ZINC001301887125 1066899556 /nfs/dbraw/zinc/89/95/56/1066899556.db2.gz GKDSPHPYUOXLKE-SFHVURJKSA-N 0 3 466.634 3.069 20 0 JGADHN COCCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCc2nc(C)n[nH]2)C[C@@H]1C ZINC001301887125 1066899563 /nfs/dbraw/zinc/89/95/63/1066899563.db2.gz GKDSPHPYUOXLKE-SFHVURJKSA-N 0 3 466.634 3.069 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(CC(C)C)CC2)n1C[C@H]1CCCO[C@@H]1C(C)C ZINC001302310411 1066903046 /nfs/dbraw/zinc/90/30/46/1066903046.db2.gz ANLIGZGQBWUNLM-ACESQOTJSA-N 0 3 463.667 3.231 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@@H](OC)C(C)C ZINC001302310750 1066903977 /nfs/dbraw/zinc/90/39/77/1066903977.db2.gz DBUFDHQMAOOTSS-HBMCJLEFSA-N 0 3 451.656 3.231 20 0 JGADHN COCCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](c2ccco2)N(C)C)CC1 ZINC001301889141 1066906012 /nfs/dbraw/zinc/90/60/12/1066906012.db2.gz UWAXOSWVJDYYHN-HXUWFJFHSA-N 0 3 458.994 3.263 20 0 JGADHN COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CCOCC3)CC2)n1C[C@H](SC)C(C)(C)C ZINC001302312719 1066908460 /nfs/dbraw/zinc/90/84/60/1066908460.db2.gz ZHSUQHKJBJDJCW-JBACZVJFSA-N 0 3 481.707 3.081 20 0 JGADHN CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](c2ccsc2)N(C)C)CCO1 ZINC001301900357 1066925303 /nfs/dbraw/zinc/92/53/03/1066925303.db2.gz LNMFUGKVGUXLEK-RTWAWAEBSA-N 0 3 489.045 3.304 20 0 JGADHN CC(C)(C)[S@@](=O)CCn1c(Cc2ccsc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001302326652 1066927964 /nfs/dbraw/zinc/92/79/64/1066927964.db2.gz SBQJYAWQUVICQY-YTTGMZPUSA-N 0 3 479.716 3.026 20 0 JGADHN CC(=O)NC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@H](c2cccs2)N(C)C)CCO1 ZINC001301904888 1066930495 /nfs/dbraw/zinc/93/04/95/1066930495.db2.gz WWVWTCOCWIVYTH-YLJYHZDGSA-N 0 3 489.045 3.304 20 0 JGADHN COCCN1CCN(c2nnc(C3CCCC3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 ZINC001301908254 1066932302 /nfs/dbraw/zinc/93/23/02/1066932302.db2.gz XRFFVRTYORZODB-HSZRJFAPSA-N 0 3 456.635 3.016 20 0 JGADHN COCCN1CCN(c2nnc(C3CCCC3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 ZINC001301908255 1066932448 /nfs/dbraw/zinc/93/24/48/1066932448.db2.gz XRFFVRTYORZODB-QHCPKHFHSA-N 0 3 456.635 3.016 20 0 JGADHN COCCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](c2cccc(F)c2)N(C)C)C[C@@H]1C ZINC001301911973 1066938581 /nfs/dbraw/zinc/93/85/81/1066938581.db2.gz JABYNOZOBJLWHK-VJBMBRPKSA-N 0 3 474.625 3.119 20 0 JGADHN CON(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](c1cccs1)N1CCCC1 ZINC001302349157 1066944450 /nfs/dbraw/zinc/94/44/50/1066944450.db2.gz UVCDGAZTOUNVEJ-ROUUACIJSA-N 0 3 492.646 3.483 20 0 JGADHN CON(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](c1ccc(C)cc1)N(C)C ZINC001302350036 1066945208 /nfs/dbraw/zinc/94/52/08/1066945208.db2.gz ZOVFPXUVXYNOKQ-WOJBJXKFSA-N 0 3 474.606 3.195 20 0 JGADHN CC(C)(O)CCn1c(-c2ccc(F)cc2Br)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001302354732 1066948009 /nfs/dbraw/zinc/94/80/09/1066948009.db2.gz XRULYLWYGMKXHQ-MRXNPFEDSA-N 0 3 496.425 3.166 20 0 JGADHN CC(C)(O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C2CCCCC2)CC1 ZINC001302354585 1066948061 /nfs/dbraw/zinc/94/80/61/1066948061.db2.gz WHZWIJDNRPRLEG-UHFFFAOYSA-N 0 3 489.064 3.477 20 0 JGADHN CC(C)(O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001302362047 1066952374 /nfs/dbraw/zinc/95/23/74/1066952374.db2.gz HGCJPICWFYHGRH-UHFFFAOYSA-N 0 3 496.425 3.166 20 0 JGADHN CC(C)(O)Cn1c(-c2ccccc2Br)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001302363559 1066953757 /nfs/dbraw/zinc/95/37/57/1066953757.db2.gz IDGWXMPQIHDCMW-UHFFFAOYSA-N 0 3 478.435 3.027 20 0 JGADHN CC(C)C(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001302404488 1066985996 /nfs/dbraw/zinc/98/59/96/1066985996.db2.gz QYHVCUGEHVYBQN-RTBURBONSA-N 0 3 460.648 3.189 20 0 JGADHN CO[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2N(C)CCCC2(C)C)C[C@@H]1OC ZINC001302405960 1066987617 /nfs/dbraw/zinc/98/76/17/1066987617.db2.gz NDAPPFCBARXSGM-BDTNDASRSA-N 0 3 484.645 3.118 20 0 JGADHN CC(C)C(=O)NC1CCN(c2nnc(-c3cccnc3)n2CCN(C)Cc2ccc(F)cc2)CC1 ZINC001302420517 1067006007 /nfs/dbraw/zinc/00/60/07/1067006007.db2.gz FPORRKAHANPNMA-UHFFFAOYSA-N 0 3 479.604 3.352 20 0 JGADHN CC(C)C(=O)NC1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2ccsc2)N(C)C)CC1 ZINC001302421251 1067006931 /nfs/dbraw/zinc/00/69/31/1067006931.db2.gz LIHBMIQITYHUPB-FQEVSTJZSA-N 0 3 455.632 3.379 20 0 JGADHN CC1(C)CCCN(CCn2c(-c3ccc(Cl)cc3F)nnc2N2CCS(=O)CC2)C1 ZINC001303960605 1067015208 /nfs/dbraw/zinc/01/52/08/1067015208.db2.gz VLQSOKNQEPIRGO-UHFFFAOYSA-N 0 3 454.015 3.428 20 0 JGADHN CC(C)C(=O)NC[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2ccsc2)N(C)C)C1 ZINC001302432588 1067021911 /nfs/dbraw/zinc/02/19/11/1067021911.db2.gz YHXXNQSMGCDBKN-GHTZIAJQSA-N 0 3 484.674 3.032 20 0 JGADHN CC(C)C(=O)NC[C@H]1CCCN(c2nnc(-c3cnccn3)n2C[C@@H](c2cccc(F)c2)N(C)C)C1 ZINC001302432529 1067022103 /nfs/dbraw/zinc/02/21/03/1067022103.db2.gz XAHPZTFJTIWMKF-XXBNENTESA-N 0 3 494.619 3.166 20 0 JGADHN CC(C)C(=O)NCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001302441829 1067038758 /nfs/dbraw/zinc/03/87/58/1067038758.db2.gz FHUZJIYXIUPZLN-UHFFFAOYSA-N 0 3 475.037 3.062 20 0 JGADHN Cc1cccc(O[C@@H](C)c2nnc(N3CCN(CC(C)C)CC3)n2CCNC(=O)C2CC2)c1C ZINC001304031742 1067080362 /nfs/dbraw/zinc/08/03/62/1067080362.db2.gz XJKBOBQLZDZVTC-NRFANRHFSA-N 0 3 468.646 3.339 20 0 JGADHN CC(C)[C@](C)(O)Cn1c(-c2cccnc2)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC001302490348 1067091200 /nfs/dbraw/zinc/09/12/00/1067091200.db2.gz ZDEIDMXAURDHCZ-HHHXNRCGSA-N 0 3 477.657 3.001 20 0 JGADHN CC(C)[C@@](C)(O)Cn1c(CCCc2ccccc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001302499453 1067097611 /nfs/dbraw/zinc/09/76/11/1067097611.db2.gz BPDMFLBSCXVOIR-BVAGGSTKSA-N 0 3 455.647 3.019 20 0 JGADHN CC(C)[C@H](C)NC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCN2CCCCC2)CC1 ZINC001302511139 1067121208 /nfs/dbraw/zinc/12/12/08/1067121208.db2.gz QPVLVLVWMDHFQD-UNMCSNQZSA-N 0 3 460.667 3.383 20 0 JGADHN Cc1c(CN(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](c2ccccc2)N(C)C)cnn1C ZINC001304079698 1067124230 /nfs/dbraw/zinc/12/42/30/1067124230.db2.gz PSWJMFNFEMEVNP-ZEQKJWHPSA-N 0 3 481.645 3.300 20 0 JGADHN O=C(c1cc(Cl)nc(Oc2ccc(Br)cc2)c1)N1CC(N[C@@H]2CCOC2)C1 ZINC001304086565 1067131564 /nfs/dbraw/zinc/13/15/64/1067131564.db2.gz YQLUUJDOWMHDLL-CQSZACIVSA-N 0 3 452.736 3.493 20 0 JGADHN O=C(c1cc(Cl)nc(Oc2ccc(Br)cc2)c1)N1CC(N[C@H]2CCOC2)C1 ZINC001304086561 1067131629 /nfs/dbraw/zinc/13/16/29/1067131629.db2.gz YQLUUJDOWMHDLL-AWEZNQCLSA-N 0 3 452.736 3.493 20 0 JGADHN CC(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OC(C)(C)C)C1)N1CCCC1 ZINC001302527817 1067154779 /nfs/dbraw/zinc/15/47/79/1067154779.db2.gz ZSBYCORELLISKF-ACRUOGEOSA-N 0 3 481.707 3.085 20 0 JGADHN CC(C)[C@@H](Cn1c(N(C)CCS(C)(=O)=O)nnc1C1(c2ccccc2)CCC1)N1CCCC1 ZINC001302528949 1067157134 /nfs/dbraw/zinc/15/71/34/1067157134.db2.gz OTOUEPIYHAGHGA-JOCHJYFZSA-N 0 3 473.687 3.349 20 0 JGADHN Cc1c(Cn2c(N3CCN(CC(C)C)CC3)nnc2[C@@]2(OC(C)C)CCOC2)cnn1CC(C)C ZINC001304127581 1067165703 /nfs/dbraw/zinc/16/57/03/1067165703.db2.gz CQCZKCLEJONIRA-AREMUKBSSA-N 0 3 487.693 3.306 20 0 JGADHN COC(=O)[C@@](C)(Cn1cnc2ccccc21)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC001304136445 1067175359 /nfs/dbraw/zinc/17/53/59/1067175359.db2.gz ZSLXKUWYRDBIMA-KBMIEXCESA-N 0 3 452.530 3.136 20 0 JGADHN CS[C@H](C)Cn1c(-c2ccccc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001302545233 1067178892 /nfs/dbraw/zinc/17/88/92/1067178892.db2.gz HMIRPIRUIPHNGV-NNMXDRDESA-N 0 3 456.660 3.076 20 0 JGADHN CS[C@H](C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001302545710 1067180135 /nfs/dbraw/zinc/18/01/35/1067180135.db2.gz UBPFYAOQDJAXQO-QGZVFWFLSA-N 0 3 463.051 3.094 20 0 JGADHN Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc(N2CC[C@@H](C(N)=O)C2)n1CCN1CCCCC1 ZINC001304141554 1067184054 /nfs/dbraw/zinc/18/40/54/1067184054.db2.gz QHXMDYZXMFBCKD-RTBURBONSA-N 0 3 475.037 3.486 20 0 JGADHN CC(C)c1ncc(CN(C)c2nnc(CNC(=O)c3cccs3)n2CCN2CC=CCC2)cn1 ZINC001302557571 1067197042 /nfs/dbraw/zinc/19/70/42/1067197042.db2.gz MWPOSHHGVCJMEC-UHFFFAOYSA-N 0 3 480.642 3.081 20 0 JGADHN CS[C@@H](C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001302559705 1067200491 /nfs/dbraw/zinc/20/04/91/1067200491.db2.gz ZSUOWKPIUNAMMM-KRWDZBQOSA-N 0 3 465.614 3.447 20 0 JGADHN CS[C@H](C)Cn1c(Cc2ccccc2C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001302560425 1067201149 /nfs/dbraw/zinc/20/11/49/1067201149.db2.gz DOWZPYWXOOQVET-LGVFNWMJSA-N 0 3 484.714 3.308 20 0 JGADHN Cc1cc(C)cc(OCc2nnc(N3C[C@H](C)O[C@@H](C)C3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001304169008 1067216561 /nfs/dbraw/zinc/21/65/61/1067216561.db2.gz DDMPPFGSIFWRFC-WPFOTENUSA-N 0 3 498.672 3.030 20 0 JGADHN Cc1cc(C)cc(OCc2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC001304169002 1067216578 /nfs/dbraw/zinc/21/65/78/1067216578.db2.gz DDMPPFGSIFWRFC-AOHZBQACSA-N 0 3 498.672 3.030 20 0 JGADHN CS[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCCC2)CC1)C(C)(C)C ZINC001302579621 1067217788 /nfs/dbraw/zinc/21/77/88/1067217788.db2.gz KXQPVTUKJAFXLJ-HKUYNNGSSA-N 0 3 486.752 3.121 20 0 JGADHN CC(C)c1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001302654370 1067281889 /nfs/dbraw/zinc/28/18/89/1067281889.db2.gz HFMWYSKHERSRPG-HXUWFJFHSA-N 0 3 488.702 3.004 20 0 JGADHN CSc1cccc(F)c1Cn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1C(C)(C)C ZINC001302658682 1067286170 /nfs/dbraw/zinc/28/61/70/1067286170.db2.gz NWPYJMFKYAWKQF-UHFFFAOYSA-N 0 3 474.650 3.229 20 0 JGADHN Cc1ccc(C(C)C)c(OCc2nnc(N3CCN(CC(C)C)CC3)n2CC(=O)N(C)C)c1 ZINC001304275803 1067312802 /nfs/dbraw/zinc/31/28/02/1067312802.db2.gz VIQDPCUDGQWBHU-UHFFFAOYSA-N 0 3 456.635 3.155 20 0 JGADHN CC(C)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1C[C@@](O)(c1ccccc1)C(F)(F)F ZINC001302691052 1067316498 /nfs/dbraw/zinc/31/64/98/1067316498.db2.gz BHDOETKOPXKNEJ-XMSQKQJNSA-N 0 3 467.536 3.010 20 0 JGADHN Cc1ccc([C@@H](Cn2c([C@H]3CCCOC3)nnc2N2CCN(C(=O)C(C)(C)C)CC2)N(C)C)cc1 ZINC001304278088 1067317555 /nfs/dbraw/zinc/31/75/55/1067317555.db2.gz JCLAMAPBEMPMPO-XZOQPEGZSA-N 0 3 482.673 3.478 20 0 JGADHN Cc1ccc(C)c(N2CCN(c3nnc(C(=O)NC(C)C)n3CCN3CCCC(C)(C)C3)CC2)c1 ZINC001304278804 1067319113 /nfs/dbraw/zinc/31/91/13/1067319113.db2.gz WRFMFMDFBQUVOX-UHFFFAOYSA-N 0 3 481.689 3.482 20 0 JGADHN Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2C[C@H]2CCCN(C(C)C)C2)c1 ZINC001304287763 1067330227 /nfs/dbraw/zinc/33/02/27/1067330227.db2.gz KBDHIRYYJSFPEW-FCHUYYIVSA-N 0 3 489.686 3.218 20 0 JGADHN Cc1ccc(C)c(OCc2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2CCCN2CCC(C)CC2)c1 ZINC001304288823 1067333310 /nfs/dbraw/zinc/33/33/10/1067333310.db2.gz QMSOTGACDDELAU-JOCHJYFZSA-N 0 3 489.686 3.219 20 0 JGADHN Cc1ccc(C)c(OCc2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2CCCN2CCC(C)CC2)c1 ZINC001304288824 1067333431 /nfs/dbraw/zinc/33/34/31/1067333431.db2.gz QMSOTGACDDELAU-QFIPXVFZSA-N 0 3 489.686 3.219 20 0 JGADHN CSCC[C@H](C)N(C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1CCN1CCN(C)C(C)(C)C1 ZINC001302721972 1067337536 /nfs/dbraw/zinc/33/75/36/1067337536.db2.gz FFVJJUYDQRWUCT-SFHVURJKSA-N 0 3 498.701 3.198 20 0 JGADHN Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CC(=O)N(CCOc4ccccc4Cl)C3)C2)cc1 ZINC001302723896 1067338926 /nfs/dbraw/zinc/33/89/26/1067338926.db2.gz NTQCFJYEICEKBX-NHCUHLMSSA-N 0 3 455.986 3.266 20 0 JGADHN Cc1ccc(-c2nnc(N(C)Cc3ccoc3C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)o1 ZINC001304295871 1067345409 /nfs/dbraw/zinc/34/54/09/1067345409.db2.gz GGOSZQWKSNVIOT-HXUWFJFHSA-N 0 3 454.575 3.327 20 0 JGADHN CSCCCCCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001302754440 1067359571 /nfs/dbraw/zinc/35/95/71/1067359571.db2.gz KRSYOIPRMXYCTR-NHCUHLMSSA-N 0 3 450.697 3.268 20 0 JGADHN Cc1ccc(-c2nnc(N3CCN(CC(C)C)CC3)n2CCC(=O)NCc2ccccc2)o1 ZINC001304326195 1067375382 /nfs/dbraw/zinc/37/53/82/1067375382.db2.gz SBTGRTNRXRWWST-UHFFFAOYSA-N 0 3 450.587 3.331 20 0 JGADHN CC(C)[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2cccs2)N(C)C)CCS1 ZINC001302781951 1067376009 /nfs/dbraw/zinc/37/60/09/1067376009.db2.gz DTALVGXSFWBPOO-HKUYNNGSSA-N 0 3 462.689 3.343 20 0 JGADHN CC(C)[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](c2cccs2)N(C)C)CCO1 ZINC001302788056 1067379769 /nfs/dbraw/zinc/37/97/69/1067379769.db2.gz KINRRPCNLPWJMM-ZWKOTPCHSA-N 0 3 488.683 3.495 20 0 JGADHN CSCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001302798974 1067388011 /nfs/dbraw/zinc/38/80/11/1067388011.db2.gz FINKOQFKLGLCOP-UHFFFAOYSA-N 0 3 463.051 3.096 20 0 JGADHN Cc1ccc(CSCCn2c(CC(C)C)nnc2N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC001304366321 1067405764 /nfs/dbraw/zinc/40/57/64/1067405764.db2.gz WXNODMCOKIGFSI-HSZRJFAPSA-N 0 3 484.714 3.461 20 0 JGADHN CC(C)Cc1nnc(N(C)Cc2cc(F)cc(F)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001302841676 1067428475 /nfs/dbraw/zinc/42/84/75/1067428475.db2.gz LNZJYSXGUZGGQF-OAQYLSRUSA-N 0 3 462.589 3.334 20 0 JGADHN CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F ZINC001302853754 1067438225 /nfs/dbraw/zinc/43/82/25/1067438225.db2.gz ZDSIEBVLMPRQKA-FUPPJEDESA-N 0 3 450.501 3.311 20 0 JGADHN C[C@@H]1CN(C2CCOCC2)CCN1c1nnc(C(C)(C)C)n1CC(=O)N(C)C1CCCCC1 ZINC001302865698 1067446677 /nfs/dbraw/zinc/44/66/77/1067446677.db2.gz DMSPUQNYYBPOFH-LJQANCHMSA-N 0 3 460.667 3.056 20 0 JGADHN C[C@@H]1CN(C2CCOCC2)CCN1c1nnc(Cc2c(F)cccc2F)n1CC(F)(F)F ZINC001302866382 1067447238 /nfs/dbraw/zinc/44/72/38/1067447238.db2.gz MWSMIYOWIQGYJM-CQSZACIVSA-N 0 3 459.463 3.399 20 0 JGADHN C[C@H](Cn1c(-c2ccccc2)nnc1N1CCC(CN2CCOCC2)CC1)NC(=O)OC(C)(C)C ZINC001302868757 1067449402 /nfs/dbraw/zinc/44/94/02/1067449402.db2.gz BVYIEOWQNROLBM-HXUWFJFHSA-N 0 3 484.645 3.407 20 0 JGADHN C[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C2CCOCC2)CC1)NC(=O)OC(C)(C)C ZINC001302870902 1067451333 /nfs/dbraw/zinc/45/13/33/1067451333.db2.gz BBQPELHAAQHRNM-GOSISDBHSA-N 0 3 464.655 3.081 20 0 JGADHN C[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C2CCCCC2)N(C)C)C[C@H](C)O1 ZINC001302882488 1067463931 /nfs/dbraw/zinc/46/39/31/1067463931.db2.gz IYVDOZPSROGLJT-YYDVJCTNSA-N 0 3 489.686 3.473 20 0 JGADHN CC(C)Cc1nnc(N2CC[C@@H](Cc3ccccc3)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001302888501 1067468369 /nfs/dbraw/zinc/46/83/69/1067468369.db2.gz BHNJEKLIYUWKDA-BJKOFHAPSA-N 0 3 466.674 3.488 20 0 JGADHN C[C@H]1CN(C2CCOCC2)CCN1c1nnc(C2CCC2)n1CCCN(C)CC(F)(F)F ZINC001302902408 1067487500 /nfs/dbraw/zinc/48/75/00/1067487500.db2.gz HWAVESCECSRGEL-KRWDZBQOSA-N 0 3 458.573 3.119 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(C4CCOCC4)C[C@@H]3C)n2CCC(C)(C)O)cc1C ZINC001304418609 1067492677 /nfs/dbraw/zinc/49/26/77/1067492677.db2.gz TVRDNXOQWRKIER-NRFANRHFSA-N 0 3 471.646 3.324 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCN(C4CCOCC4)C[C@H]3C)n2CCCCCO)cc1 ZINC001304419118 1067493667 /nfs/dbraw/zinc/49/36/67/1067493667.db2.gz XQDHJCCYIYDWBT-OAQYLSRUSA-N 0 3 457.619 3.018 20 0 JGADHN C[C@H]1COC(C)(C)CN1c1nnc(COc2ccccc2F)n1CCN1CCN(C)C(C)(C)C1 ZINC001302912916 1067498109 /nfs/dbraw/zinc/49/81/09/1067498109.db2.gz BNPUCRAHCPCUOW-IBGZPJMESA-N 0 3 474.625 3.026 20 0 JGADHN Cc1ccc(OCCCn2c(C(=O)NC(C)C)nnc2N2CCN(C3CCCC3)CC2)cc1 ZINC001304423370 1067500380 /nfs/dbraw/zinc/50/03/80/1067500380.db2.gz SYFXXLHRXMNMMB-UHFFFAOYSA-N 0 3 454.619 3.258 20 0 JGADHN Cc1ccc(OCc2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCN2CCCCC2)cc1 ZINC001304424211 1067501093 /nfs/dbraw/zinc/50/10/93/1067501093.db2.gz DNQNRQHAAQOJJR-IBGZPJMESA-N 0 3 453.509 3.419 20 0 JGADHN CC(C)Cc1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 ZINC001302932009 1067507498 /nfs/dbraw/zinc/50/74/98/1067507498.db2.gz ROZHJANNWDCHRN-ZRCGQRJVSA-N 0 3 453.697 3.391 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C(=O)c3ccccn3)CC2)n1C[C@H](c1ccccc1)N(C)C ZINC001302939561 1067513540 /nfs/dbraw/zinc/51/35/40/1067513540.db2.gz FOPYFVXUKAFMET-HSZRJFAPSA-N 0 3 461.614 3.137 20 0 JGADHN Cc1ccc(SCc2nnc(Nc3ccn(C)n3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC001304437524 1067516629 /nfs/dbraw/zinc/51/66/29/1067516629.db2.gz CQSMINJSYQSATA-HXUWFJFHSA-N 0 3 482.658 3.299 20 0 JGADHN Cc1ccc(SCc2nnc(Nc3ccn(C)n3)n2CCCN2CCC[C@H]2C(=O)N(C)C)cc1 ZINC001304437523 1067516659 /nfs/dbraw/zinc/51/66/59/1067516659.db2.gz CQSMINJSYQSATA-FQEVSTJZSA-N 0 3 482.658 3.299 20 0 JGADHN Cc1ccc(SCc2nnc(N3CCS(=O)(=O)CC3)n2CCCN2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001304441075 1067521914 /nfs/dbraw/zinc/52/19/14/1067521914.db2.gz QPEGVQNZTDYAMB-SFTDATJTSA-N 0 3 491.727 3.482 20 0 JGADHN Cc1cccc(C)c1CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001304445226 1067526712 /nfs/dbraw/zinc/52/67/12/1067526712.db2.gz SSZWMZFYXNZBCH-UHFFFAOYSA-N 0 3 466.674 3.471 20 0 JGADHN FC(F)OCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001302956198 1067528141 /nfs/dbraw/zinc/52/81/41/1067528141.db2.gz DYBNCDMRBLDIND-INIZCTEOSA-N 0 3 455.937 3.386 20 0 JGADHN CC(C)Cc1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CCCNC(=O)OC(C)(C)C ZINC001302957301 1067528968 /nfs/dbraw/zinc/52/89/68/1067528968.db2.gz NNJVPZXENZHVHE-LJQANCHMSA-N 0 3 464.655 3.081 20 0 JGADHN Cc1nnc(N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)n1C[C@@H](c1cccs1)N(C)C ZINC001304447645 1067529002 /nfs/dbraw/zinc/52/90/02/1067529002.db2.gz HDZHARGWDJUBEB-NRFANRHFSA-N 0 3 481.670 3.328 20 0 JGADHN CC(C)Cc1nnc(N2CCN(CCN(C)Cc3ccccc3)CC2)n1C[C@@H]1CCOC[C@H]1C ZINC001302966185 1067536259 /nfs/dbraw/zinc/53/62/59/1067536259.db2.gz OFIDFIOKQMORNC-NOZRDPDXSA-N 0 3 468.690 3.403 20 0 JGADHN CC(C)Cc1nnc(N2CCN(CCN(C)Cc3ccccc3)CC2)n1C[C@@H]1CCOC[C@@H]1C ZINC001302966189 1067536309 /nfs/dbraw/zinc/53/63/09/1067536309.db2.gz OFIDFIOKQMORNC-ZCYQVOJMSA-N 0 3 468.690 3.403 20 0 JGADHN CC(C)Cc1nnc(N2CCN(CC3CCOCC3)CC2)n1Cc1ccc(C(C)(C)O)cc1 ZINC001302966232 1067536342 /nfs/dbraw/zinc/53/63/42/1067536342.db2.gz ZMNGKTFTJRJWLN-UHFFFAOYSA-N 0 3 455.647 3.301 20 0 JGADHN Fc1ccc(OCc2nnc(N3CCN(C[C@@H]4CCOC4)CC3)n2CCCOC(F)(F)F)cc1 ZINC001302970732 1067538974 /nfs/dbraw/zinc/53/89/74/1067538974.db2.gz XBVXJDSRMUVLAF-KRWDZBQOSA-N 0 3 487.498 3.081 20 0 JGADHN CC(C)C[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)N2CCc3ccccc3C2)C1 ZINC001302990447 1067551879 /nfs/dbraw/zinc/55/18/79/1067551879.db2.gz FFXXPSCATPLMPE-HKBOAZHASA-N 0 3 488.702 3.208 20 0 JGADHN CC(C)CC[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001303010874 1067565538 /nfs/dbraw/zinc/56/55/38/1067565538.db2.gz YNNNNXNPZQZOSG-NTKDMRAZSA-N 0 3 477.053 3.339 20 0 JGADHN CC(C)CC[C@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001303022230 1067574115 /nfs/dbraw/zinc/57/41/15/1067574115.db2.gz NLYDKHZIGULBPP-DEOSSOPVSA-N 0 3 476.691 3.377 20 0 JGADHN Cc1cccc(OCc2nnc(N3CCN(C)C(=O)[C@H]3C)n2C[C@H](c2cccs2)N(C)C)c1 ZINC001304511053 1067586131 /nfs/dbraw/zinc/58/61/31/1067586131.db2.gz GKQMLGSEKLMLTA-UYAOXDASSA-N 0 3 468.627 3.197 20 0 JGADHN Cc1cccc(OCc2nnc(N3CCN(CCC(C)(C)C)CC3)n2C[C@@]2(O)CCO[C@H]2C)c1 ZINC001304511354 1067586800 /nfs/dbraw/zinc/58/68/00/1067586800.db2.gz ACRQOHMVHXJPNJ-LVXARBLLSA-N 0 3 471.646 3.264 20 0 JGADHN O=C(C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN2CCCC2)CC1)C(F)(F)F ZINC001303062919 1067599036 /nfs/dbraw/zinc/59/90/36/1067599036.db2.gz VEIDSCAHMGRKCK-UHFFFAOYSA-N 0 3 453.484 3.452 20 0 JGADHN Cc1ccccc1-c1nnc(N2CCN(CC(C)C)CC2)n1CC1(NC(=O)OC(C)(C)C)COC1 ZINC001304536725 1067607796 /nfs/dbraw/zinc/60/77/96/1067607796.db2.gz FCJAWVYYHWNURB-UHFFFAOYSA-N 0 3 484.645 3.325 20 0 JGADHN Cc1ccccc1Cc1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1CC[C@H](C)N1CCCCC1 ZINC001304547945 1067616734 /nfs/dbraw/zinc/61/67/34/1067616734.db2.gz RQVQKQKNKKQXJQ-UNMCSNQZSA-N 0 3 459.660 3.065 20 0 JGADHN O=C(NCC(F)(F)F)C1CCN(c2nnc(C3CCCC3)n2CCN2CC=CCC2)CC1 ZINC001303086426 1067619344 /nfs/dbraw/zinc/61/93/44/1067619344.db2.gz IVJDKYFAQCGHCS-UHFFFAOYSA-N 0 3 454.541 3.093 20 0 JGADHN Cc1ccccc1Cc1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1CCN1CC=CCC1 ZINC001304559882 1067628833 /nfs/dbraw/zinc/62/88/33/1067628833.db2.gz COXWKNWNILFMLG-UHFFFAOYSA-N 0 3 480.554 3.462 20 0 JGADHN Cc1ccccc1Cc1nnc(N2CCN(CCC(C)(C)C)CC2)n1Cc1ccc(C(N)=O)nc1 ZINC001304562804 1067633423 /nfs/dbraw/zinc/63/34/23/1067633423.db2.gz YSKFGMMLWRNQNB-UHFFFAOYSA-N 0 3 475.641 3.278 20 0 JGADHN Cc1ccccc1OCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCC(C)CC1 ZINC001304578210 1067646433 /nfs/dbraw/zinc/64/64/33/1067646433.db2.gz UHFPZQQLGGUTGE-QFIPXVFZSA-N 0 3 489.686 3.126 20 0 JGADHN Cc1cccc(OCc2nnc(N3CC=C(C)CC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)c1 ZINC001304598100 1067661215 /nfs/dbraw/zinc/66/12/15/1067661215.db2.gz LSAWSUJQTCXFRK-QHCPKHFHSA-N 0 3 466.630 3.265 20 0 JGADHN Cc1nc(C)c(CCn2c(N3CCN(CC(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)s1 ZINC001304641856 1067710082 /nfs/dbraw/zinc/71/00/82/1067710082.db2.gz NURVTXDKCOLVGA-DEOSSOPVSA-N 0 3 476.691 3.413 20 0 JGADHN CC(C)CN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(c2)[C@@H](C)[C@@H](C)O3)CC1 ZINC001303178586 1067712067 /nfs/dbraw/zinc/71/20/67/1067712067.db2.gz PUUOVCSTKKEFLI-RBUKOAKNSA-N 0 3 454.619 3.127 20 0 JGADHN CC(C)CN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCOc2ccccc2)CC1 ZINC001303178898 1067712325 /nfs/dbraw/zinc/71/23/25/1067712325.db2.gz XNWKZLGTMBUQJZ-UHFFFAOYSA-N 0 3 463.586 3.173 20 0 JGADHN CC(C)CN1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccc2F)C1 ZINC001303179073 1067712777 /nfs/dbraw/zinc/71/27/77/1067712777.db2.gz PYXMKPLTXRBTSY-FPOVZHCZSA-N 0 3 477.650 3.324 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(=O)NCc2ccco2)CC1 ZINC001303184479 1067718116 /nfs/dbraw/zinc/71/81/16/1067718116.db2.gz XEAWHWVLRCGMDP-IBGZPJMESA-N 0 3 484.576 3.245 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC2CCS(=O)(=O)CC2)CC1 ZINC001303185313 1067720274 /nfs/dbraw/zinc/72/02/74/1067720274.db2.gz YJQHXMUELCUOFD-IBGZPJMESA-N 0 3 493.649 3.160 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2CCS(=O)(=O)CC2)CC1 ZINC001303185314 1067720404 /nfs/dbraw/zinc/72/04/04/1067720404.db2.gz YJQHXMUELCUOFD-LJQANCHMSA-N 0 3 493.649 3.160 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3noc4c3COCC4)n2CCSC(F)(F)F)CC1 ZINC001303188648 1067722676 /nfs/dbraw/zinc/72/26/76/1067722676.db2.gz FVFHTVNIZIKFIK-UHFFFAOYSA-N 0 3 460.526 3.037 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC001303188717 1067723067 /nfs/dbraw/zinc/72/30/67/1067723067.db2.gz HIDQJSUKTAUPOM-UHFFFAOYSA-N 0 3 477.535 3.446 20 0 JGADHN Cc1nc([C@@H]2CN(c3nnc(CC(C)(C)C)n3C[C@H](c3ccccc3)N(C)C)CCO2)no1 ZINC001304654836 1067723228 /nfs/dbraw/zinc/72/32/28/1067723228.db2.gz ZNFOHWQWLMFPDT-UXHICEINSA-N 0 3 453.591 3.439 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3cccn3C)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1=O ZINC001303189247 1067723445 /nfs/dbraw/zinc/72/34/45/1067723445.db2.gz PZCNRLXDLBTISF-QFIPXVFZSA-N 0 3 467.593 3.030 20 0 JGADHN CC(C)CN1CCN(c2nnc(-c3ccccn3)n2CCCCNC(=O)OC(C)(C)C)CC1 ZINC001303189466 1067723779 /nfs/dbraw/zinc/72/37/79/1067723779.db2.gz SEHDFVAGWHTMIS-UHFFFAOYSA-N 0 3 457.623 3.423 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2C(F)(F)F)CC1 ZINC001303189874 1067724217 /nfs/dbraw/zinc/72/42/17/1067724217.db2.gz GFNMCRREUZLLDO-GOSISDBHSA-N 0 3 450.509 3.074 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@@H]3CCCCO3)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 ZINC001303191102 1067725302 /nfs/dbraw/zinc/72/53/02/1067725302.db2.gz TXVYCTKFVCDLPK-SFHVURJKSA-N 0 3 486.608 3.458 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@H]3CCOC3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001303191847 1067726074 /nfs/dbraw/zinc/72/60/74/1067726074.db2.gz IVDDCPNCMIIADG-SFTDATJTSA-N 0 3 476.666 3.207 20 0 JGADHN CC(C)CN1CCN(c2nnc(CC3CC3)n2C[C@H](c2ccc(F)cc2)N(C)C)[C@@H](C)C1=O ZINC001303195983 1067729123 /nfs/dbraw/zinc/72/91/23/1067729123.db2.gz MIVJLPOOZTWMHP-PGRDOPGGSA-N 0 3 456.610 3.366 20 0 JGADHN CC(C)CN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCOCC(F)F)CC1 ZINC001303196351 1067730203 /nfs/dbraw/zinc/73/02/03/1067730203.db2.gz IKFBNAANYJFSDZ-HXUWFJFHSA-N 0 3 465.545 3.240 20 0 JGADHN CC(C)CN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C(C)C)N2CCOCC2)CC1 ZINC001303198633 1067734134 /nfs/dbraw/zinc/73/41/34/1067734134.db2.gz HJZWNWZQLWGUEH-QHCPKHFHSA-N 0 3 488.652 3.131 20 0 JGADHN CC(C)CN1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCC(=O)N(C)C)CC1 ZINC001303199158 1067735300 /nfs/dbraw/zinc/73/53/00/1067735300.db2.gz WNFPIWDSIVKBMN-UHFFFAOYSA-N 0 3 483.444 3.420 20 0 JGADHN Cc1nc(Cc2nnc(N3CCN(CC(C)C)CC3)n2CCC(=O)NCc2ccccc2)cs1 ZINC001304674155 1067744654 /nfs/dbraw/zinc/74/46/54/1067744654.db2.gz LSIMWFSJBMREJP-UHFFFAOYSA-N 0 3 481.670 3.118 20 0 JGADHN Cc1nc(C[C@H]2CCCN(c3nnc(C(=O)NC(C)C)n3C[C@H](C)N(C)Cc3ccccc3)C2)no1 ZINC001304676998 1067749026 /nfs/dbraw/zinc/74/90/26/1067749026.db2.gz NGJQHLBPQGIJAR-SIKLNZKXSA-N 0 3 494.644 3.087 20 0 JGADHN Cc1nc(C[C@H]2CCCN(c3nnc(CC(C)(C)C)n3CCN3CCN(C)C(C)(C)C3)C2)no1 ZINC001304678017 1067750016 /nfs/dbraw/zinc/75/00/16/1067750016.db2.gz JLRNYKMGKSPANR-HXUWFJFHSA-N 0 3 472.682 3.043 20 0 JGADHN CC(C)CO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](c2cccs2)N(C)C)C1 ZINC001303230513 1067765054 /nfs/dbraw/zinc/76/50/54/1067765054.db2.gz QAWSDVICPIVKEQ-MOPGFXCFSA-N 0 3 460.648 3.016 20 0 JGADHN CC(C)CSCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001303244150 1067772515 /nfs/dbraw/zinc/77/25/15/1067772515.db2.gz VLZGKRNUAWKUTP-NRFANRHFSA-N 0 3 478.707 3.043 20 0 JGADHN CC(C)N(C)C(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCN(C)Cc2ccc(F)cc2)CC1 ZINC001303255649 1067782233 /nfs/dbraw/zinc/78/22/33/1067782233.db2.gz NEKMFXLUKUAILD-QFIPXVFZSA-N 0 3 486.636 3.136 20 0 JGADHN Cc1nccn1CCn1c(CC(C)(C)C)nnc1N(C)CCN1CCN(c2ccccc2)CC1 ZINC001304714271 1067785528 /nfs/dbraw/zinc/78/55/28/1067785528.db2.gz XUMGJGMBZHSWFM-UHFFFAOYSA-N 0 3 464.662 3.330 20 0 JGADHN Cc1nccnc1CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C(C)(C)C)CC1 ZINC001304716971 1067789358 /nfs/dbraw/zinc/78/93/58/1067789358.db2.gz GOOJIRWAJCPAEP-UHFFFAOYSA-N 0 3 487.450 3.308 20 0 JGADHN CC(C)N(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](c2ccco2)C1 ZINC001303270405 1067799315 /nfs/dbraw/zinc/79/93/15/1067799315.db2.gz KDCOQRMJTDKLRU-LJQANCHMSA-N 0 3 457.600 3.276 20 0 JGADHN CC(C)N(C)CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001303274271 1067801584 /nfs/dbraw/zinc/80/15/84/1067801584.db2.gz BNDRKVCIKFFTHS-HXUWFJFHSA-N 0 3 486.642 3.344 20 0 JGADHN CC(C)N(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)c(F)c1)C(C)C ZINC001303298939 1067823646 /nfs/dbraw/zinc/82/36/46/1067823646.db2.gz OKGYQMBHTSEMMS-GOSISDBHSA-N 0 3 469.602 3.214 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N3CCC(CCCO)CC3)n2C[C@@H](c2cccs2)N(C)C)n1 ZINC001304750799 1067830947 /nfs/dbraw/zinc/83/09/47/1067830947.db2.gz DXGPFAZNXPBSQL-NRFANRHFSA-N 0 3 471.675 3.493 20 0 JGADHN CC(C)N1CCN(C2CCN(c3nnc(-c4ccccc4)n3CC[S@](=O)C(C)(C)C)CC2)CC1 ZINC001303317482 1067846333 /nfs/dbraw/zinc/84/63/33/1067846333.db2.gz WXVMZNOZYUKFFU-UMSFTDKQSA-N 0 3 486.730 3.487 20 0 JGADHN Cc1cc(C)n(Cc2nnc(N3CCN(CCC(C)(C)C)CC3)n2CCCOC(F)F)n1 ZINC001304762869 1067850469 /nfs/dbraw/zinc/85/04/69/1067850469.db2.gz FUSLYQJSPBHDAB-UHFFFAOYSA-N 0 3 453.582 3.327 20 0 JGADHN CC(C)N1CCN([C@@H]2CCN(c3nnc(C4CCC4)n3CCCNC(=O)OC(C)(C)C)C2)CC1 ZINC001303318660 1067850603 /nfs/dbraw/zinc/85/06/03/1067850603.db2.gz XNZPYRQOCGUMBN-OAQYLSRUSA-N 0 3 475.682 3.065 20 0 JGADHN CC(C)N1CCN([C@@H]2CCN(c3nnc(C4CCC4)n3CC(C)(C)NC(=O)OC(C)(C)C)C2)CC1 ZINC001303318736 1067850658 /nfs/dbraw/zinc/85/06/58/1067850658.db2.gz ZUKICHFVTBHBLT-OAQYLSRUSA-N 0 3 489.709 3.454 20 0 JGADHN CC(C)NC(=O)c1nnc(N(C)C2CCN(Cc3ccccc3)CC2)n1C[C@](C)(O)c1ccco1 ZINC001303328328 1067856702 /nfs/dbraw/zinc/85/67/02/1067856702.db2.gz OUESIJXCQNYJCY-SANMLTNESA-N 0 3 480.613 3.018 20 0 JGADHN CC(C)NC(=O)c1nnc(N(C)Cc2ccc(Cl)c(F)c2)n1C[C@@]1(N(C)C)CCSC1 ZINC001303329593 1067858203 /nfs/dbraw/zinc/85/82/03/1067858203.db2.gz GQIHNASASGFJPY-NRFANRHFSA-N 0 3 469.030 3.283 20 0 JGADHN CC(C)NC(=O)c1nnc(N(Cc2cnn(C)c2)Cc2ccc(Cl)cc2)n1CCN1CCCC1 ZINC001303343660 1067872257 /nfs/dbraw/zinc/87/22/57/1067872257.db2.gz RCYZRCJGTVKIJV-UHFFFAOYSA-N 0 3 485.036 3.106 20 0 JGADHN CC(C)NC(=O)c1nnc(N(Cc2ccco2)Cc2cccs2)n1CCN1CCN(C)C(C)(C)C1 ZINC001303346969 1067874092 /nfs/dbraw/zinc/87/40/92/1067874092.db2.gz DYDFVWWEYQLSLX-UHFFFAOYSA-N 0 3 499.685 3.304 20 0 JGADHN CC(C)NC(=O)c1nnc(N(Cc2cccs2)C[C@@H]2CCCO2)n1CCN1CCC[C@H]1C ZINC001303347792 1067874837 /nfs/dbraw/zinc/87/48/37/1067874837.db2.gz SJAMKHLKZRPNLE-MOPGFXCFSA-N 0 3 460.648 3.148 20 0 JGADHN CC(C)NC(=O)c1nnc(N2C[C@H](C)OC(C)(C)C2)n1CC1(N2CCSCC2)CCCCC1 ZINC001303348384 1067875769 /nfs/dbraw/zinc/87/57/69/1067875769.db2.gz AAMQVZNDSRXIIW-IBGZPJMESA-N 0 3 478.707 3.172 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)n1CCN1CCC[C@@H]1C ZINC001303359527 1067887414 /nfs/dbraw/zinc/88/74/14/1067887414.db2.gz YDTSRBFBEDYBTB-ZDUSSCGKSA-N 0 3 470.462 3.222 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CC[C@]3(CCSC3)C2)n1C[C@H](C)N(C)Cc1ccccc1 ZINC001303378641 1067908210 /nfs/dbraw/zinc/90/82/10/1067908210.db2.gz INCYVMBNCJPHTQ-CYFREDJKSA-N 0 3 456.660 3.270 20 0 JGADHN Cc1nnc(N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)n1C[C@H](c1cccs1)N(C)C ZINC001304859816 1067909603 /nfs/dbraw/zinc/90/96/03/1067909603.db2.gz QYHLEUPXFZTIOH-LJQANCHMSA-N 0 3 459.019 3.453 20 0 JGADHN Cc1nnc(N2CCN(CCN(C)Cc3ccccc3)CC2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC001304860935 1067910049 /nfs/dbraw/zinc/91/00/49/1067910049.db2.gz PEPOGVAZPWLWGI-QFIPXVFZSA-N 0 3 499.704 3.344 20 0 JGADHN Cc1noc([C@@H](C)N2CCN(c3nnc(C(C)C)n3C[C@H](c3cccc(F)c3)N(C)C)CC2)n1 ZINC001304872299 1067914470 /nfs/dbraw/zinc/91/44/70/1067914470.db2.gz JZIGVIMYMONJHR-DYESRHJHSA-N 0 3 470.597 3.418 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCCN(Cc3ccccc3)CC2)n1C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001303397395 1067926092 /nfs/dbraw/zinc/92/60/92/1067926092.db2.gz HZIOIWNKGKJFRD-IUTQVRIDSA-N 0 3 468.646 3.332 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCCN(Cc3ccccc3)CC2)n1CC[C@H]1CCCCO1 ZINC001303399338 1067927524 /nfs/dbraw/zinc/92/75/24/1067927524.db2.gz ZZUDEBSBHHQAGG-JOCHJYFZSA-N 0 3 454.619 3.088 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCCN(Cc3ccccc3)CC2)n1C[C@]1(C)CCCS1 ZINC001303398964 1067927626 /nfs/dbraw/zinc/92/76/26/1067927626.db2.gz UVYQHEDLUPYYDF-DEOSSOPVSA-N 0 3 456.660 3.414 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1Cc1ccc2c(c1)OCCCO2 ZINC001303409233 1067935585 /nfs/dbraw/zinc/93/55/85/1067935585.db2.gz FBOAXKCMNIKNNE-UHFFFAOYSA-N 0 3 484.645 3.184 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCN(CCC(C)(C)C)CC2)n1C[C@@]1(C)CCO[C@H]1C1CC1 ZINC001303410536 1067937021 /nfs/dbraw/zinc/93/70/21/1067937021.db2.gz UMFJUQFRZYLNLJ-NBGIEHNGSA-N 0 3 460.667 3.180 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3ccc(F)cc3)C2)n1CCN1CCCC(C)(C)C1 ZINC001303415370 1067943078 /nfs/dbraw/zinc/94/30/78/1067943078.db2.gz WDUPIGBRHQCVHX-OAQYLSRUSA-N 0 3 472.609 3.255 20 0 JGADHN C[C@@H]1C(=O)N(C)CCN1c1nnc(Cc2ccc(F)cc2)n1C[C@H](c1cccs1)N(C)C ZINC001304911599 1067955365 /nfs/dbraw/zinc/95/53/65/1067955365.db2.gz MIHHUPAUQYNDML-VQIMIIECSA-N 0 3 456.591 3.039 20 0 JGADHN C[C@@H]1C[C@H](C)CN(C(C)(C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCCCCC2)C1 ZINC001304913070 1067957171 /nfs/dbraw/zinc/95/71/71/1067957171.db2.gz SRZXSTQJMMALPR-HSALFYBXSA-N 0 3 451.681 3.317 20 0 JGADHN C[C@@H]1C[C@H](C)CN(CCCn2c(CCc3ccccc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)C1 ZINC001304926674 1067971169 /nfs/dbraw/zinc/97/11/69/1067971169.db2.gz GTSBHBQRKYWBPN-XJUOHMSHSA-N 0 3 473.687 3.055 20 0 JGADHN C[C@@H](c1ccco1)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@H](C)C[C@H](C)C1 ZINC001304927082 1067972296 /nfs/dbraw/zinc/97/22/96/1067972296.db2.gz INOQGNHSYFNFKG-ZGXWSNOMSA-N 0 3 463.648 3.339 20 0 JGADHN C[C@@H]1C[C@@H](c2ccccc2)CN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN(C)C ZINC001304929222 1067977528 /nfs/dbraw/zinc/97/75/28/1067977528.db2.gz BAYPDZKBTXBAGR-HLAWJBBLSA-N 0 3 459.660 3.150 20 0 JGADHN C[C@@H]1C[C@H](CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CC(F)(F)F)CN1Cc1ccccc1 ZINC001304938989 1067988149 /nfs/dbraw/zinc/98/81/49/1067988149.db2.gz PMBIZSPXQJBPLQ-HOJAQTOUSA-N 0 3 499.603 3.479 20 0 JGADHN C[C@@H]1C[C@@H](Cn2c(CC(C)(C)C)nnc2N(C)C2CCN(CCn3cccn3)CC2)CCO1 ZINC001304939628 1067988815 /nfs/dbraw/zinc/98/88/15/1067988815.db2.gz AICLKAHHVWPVJK-RTWAWAEBSA-N 0 3 457.667 3.479 20 0 JGADHN CC(C)NS(=O)(=O)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C2CCCC2)CC1 ZINC001303470890 1067990135 /nfs/dbraw/zinc/99/01/35/1067990135.db2.gz YDYSVTGKRQDNRG-UHFFFAOYSA-N 0 3 499.056 3.130 20 0 JGADHN CC(C)O[C@]1(c2nnc(N(C)Cc3cnn(C)c3)n2C[C@H](c2ccc(F)cc2)N(C)C)CCOC1 ZINC001303482450 1068004679 /nfs/dbraw/zinc/00/46/79/1068004679.db2.gz ZQFWDJMBHNJOTD-RCZVLFRGSA-N 0 3 485.608 3.131 20 0 JGADHN CC(C)N1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C2CCC(C)CC2)C1 ZINC001304974625 1068014418 /nfs/dbraw/zinc/01/44/18/1068014418.db2.gz KIGQXEROHQBRAZ-OMYXNUHHSA-N 0 3 451.681 3.316 20 0 JGADHN CC(C)O[C@]1(c2nnc(N3CCC(C(=O)c4ccccc4)CC3)n2C[C@@H](C)N(C)C)CCOC1 ZINC001303490394 1068015491 /nfs/dbraw/zinc/01/54/91/1068015491.db2.gz SUTKTNUZWMBMKX-FQRUVTKNSA-N 0 3 469.630 3.368 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCN(C3CCC(C)CC3)CC2)n1Cc1ccc([C@@H](C)O)cc1 ZINC001304978833 1068017151 /nfs/dbraw/zinc/01/71/51/1068017151.db2.gz HUIISGHHNDYMAN-LRZVDXDASA-N 0 3 468.646 3.219 20 0 JGADHN CC(C)O[C@@]1(c2nnc(N3CCC[C@H](C(C)C)C3)n2CCN2CCN(C)C(C)(C)C2)CCOC1 ZINC001303502266 1068031695 /nfs/dbraw/zinc/03/16/95/1068031695.db2.gz MDZVWGTYBJVEMF-NVQXNPDNSA-N 0 3 476.710 3.217 20 0 JGADHN CC(C)O[C@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CCOC1 ZINC001303502406 1068032368 /nfs/dbraw/zinc/03/23/68/1068032368.db2.gz NPTSFMNBFGEDGW-KBMIEXCESA-N 0 3 494.681 3.152 20 0 JGADHN CC(C)O[C@@]1(c2nnc(N3CCN(CCC(C)(C)C)CC3)n2CC2=CCCOC2)CCOC1 ZINC001303504224 1068036779 /nfs/dbraw/zinc/03/67/79/1068036779.db2.gz GCJNURGROLJAAM-VWLOTQADSA-N 0 3 461.651 3.224 20 0 JGADHN CC(C)O[C@]1(c2nnc(N3CCSCC3)n2C[C@@H](c2cccs2)N(C)C)CCOC1 ZINC001303511419 1068046986 /nfs/dbraw/zinc/04/69/86/1068046986.db2.gz TZODIADRVGLKFC-LAUBAEHRSA-N 0 3 451.662 3.236 20 0 JGADHN C[C@H]1CCCCN1C[C@@H]1CCCN(c2nnc(Cc3ccsc3)n2CCS(C)(=O)=O)C1 ZINC001305014334 1068055862 /nfs/dbraw/zinc/05/58/62/1068055862.db2.gz RLVFSYDRNIJXBF-ICSRJNTNSA-N 0 3 465.689 3.066 20 0 JGADHN C[C@@H]1CCCCN1CCCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001305015008 1068056580 /nfs/dbraw/zinc/05/65/80/1068056580.db2.gz JDXVVPVHPQGRRK-DENIHFKCSA-N 0 3 477.650 3.286 20 0 JGADHN C[C@@H](c1cccc(O)c1)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCC[C@H]1C ZINC001305014973 1068056706 /nfs/dbraw/zinc/05/67/06/1068056706.db2.gz IUAULBZCHRVGIW-SVFBPWRDSA-N 0 3 475.659 3.348 20 0 JGADHN C[C@H](c1cccc(O)c1)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCC[C@H]1C ZINC001305014972 1068057009 /nfs/dbraw/zinc/05/70/09/1068057009.db2.gz IUAULBZCHRVGIW-SFHLNBCPSA-N 0 3 475.659 3.348 20 0 JGADHN CC(C)OC1CCN(c2nnc(Cc3ccsc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001303529762 1068057687 /nfs/dbraw/zinc/05/76/87/1068057687.db2.gz AETPMNRDTAFBKM-JOCHJYFZSA-N 0 3 488.702 3.267 20 0 JGADHN C[C@H]1CCCCN1CCCn1c(-c2ccccc2Cl)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001305015508 1068057994 /nfs/dbraw/zinc/05/79/94/1068057994.db2.gz JUTIEVKBJAKRGW-ROUUACIJSA-N 0 3 466.051 3.486 20 0 JGADHN C[C@H]1CCCCN1CCCn1c(Nc2cnn(C)c2)nnc1-c1cccc(S(C)(=O)=O)c1 ZINC001305021545 1068070987 /nfs/dbraw/zinc/07/09/87/1068070987.db2.gz TUAPRTGQPQQKRS-KRWDZBQOSA-N 0 3 457.604 3.090 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CC[C@H](COc3ccccc3)C2)n1CCN1CCC[C@H](C)C1 ZINC001305042858 1068098979 /nfs/dbraw/zinc/09/89/79/1068098979.db2.gz LQWNSVIMRPKYAX-SFTDATJTSA-N 0 3 454.619 3.054 20 0 JGADHN C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCC[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001305043528 1068099940 /nfs/dbraw/zinc/09/99/40/1068099940.db2.gz QRIBRRVAIRPOPN-BRWVUGGUSA-N 0 3 465.524 3.292 20 0 JGADHN C[C@H]1CCCN(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@H](C(F)(F)F)C2)C1 ZINC001305043692 1068100225 /nfs/dbraw/zinc/10/02/25/1068100225.db2.gz SKFWKQCFVUIRFN-IRXDYDNUSA-N 0 3 465.524 3.436 20 0 JGADHN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(C(=O)N2CCCC2)n1CCN1CCC[C@@H](C)C1 ZINC001305044330 1068101337 /nfs/dbraw/zinc/10/13/37/1068101337.db2.gz ZSFDMZWGFRZFRF-WSYWFWNMSA-N 0 3 486.686 3.181 20 0 JGADHN C[C@H](c1ccc(F)c(F)c1)N(C)c1nnc(-c2cnccn2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001303593769 1068114109 /nfs/dbraw/zinc/11/41/09/1068114109.db2.gz MFHYDFOXKNXCHA-VGSWGCGISA-N 0 3 498.582 3.153 20 0 JGADHN CSCC[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)N1[C@@H]2CC[C@H]1CCN(C)C2 ZINC001303598824 1068124723 /nfs/dbraw/zinc/12/47/23/1068124723.db2.gz KUXCKTYTZNTTAU-IYOUNJFTSA-N 0 3 480.483 3.089 20 0 JGADHN CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3ccccc3F)C2)n1C[C@H](C)N1CCC(C)CC1 ZINC001305063362 1068132251 /nfs/dbraw/zinc/13/22/51/1068132251.db2.gz HQGWTNFSOJXKKA-SIKLNZKXSA-N 0 3 472.609 3.254 20 0 JGADHN C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)N1CCC(C)CC1 ZINC001305063984 1068134609 /nfs/dbraw/zinc/13/46/09/1068134609.db2.gz JSNAHHKETJYIKJ-MOPGFXCFSA-N 0 3 486.583 3.182 20 0 JGADHN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(C2CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001303603882 1068136517 /nfs/dbraw/zinc/13/65/17/1068136517.db2.gz UNXAWNGHTZIYRW-CVCYQNGTSA-N 0 3 458.676 3.116 20 0 JGADHN C[C@H](c1ccc([S@](C)=O)cc1)N(C)c1nnc(-c2ccccn2)n1CCN1CCN(C)C(C)(C)C1 ZINC001303605603 1068138876 /nfs/dbraw/zinc/13/88/76/1068138876.db2.gz ZMBDKDQOUBEQLY-GOKJBEJGSA-N 0 3 495.697 3.301 20 0 JGADHN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)c1nnc(-c2ccccn2)n1CCN1CCN(C)C(C)(C)C1 ZINC001303605606 1068138914 /nfs/dbraw/zinc/13/89/14/1068138914.db2.gz ZMBDKDQOUBEQLY-OTASCSKISA-N 0 3 495.697 3.301 20 0 JGADHN C[C@H](c1ccco1)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C1CCCCC1)N(C)C ZINC001303622134 1068153714 /nfs/dbraw/zinc/15/37/14/1068153714.db2.gz QKPUQBDAXQETNU-RLLQIKCJSA-N 0 3 463.648 3.481 20 0 JGADHN C[C@H](c1ccco1)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C1CCCCC1)N(C)C ZINC001303622133 1068153782 /nfs/dbraw/zinc/15/37/82/1068153782.db2.gz QKPUQBDAXQETNU-MISYRCLQSA-N 0 3 463.648 3.481 20 0 JGADHN CC1CCN(CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)OC2CCCC2)CC1 ZINC001305102015 1068167881 /nfs/dbraw/zinc/16/78/81/1068167881.db2.gz MBJTYAVAUUIKAE-IBGZPJMESA-N 0 3 453.653 3.003 20 0 JGADHN CC1CCN(CCCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001305102318 1068168428 /nfs/dbraw/zinc/16/84/28/1068168428.db2.gz PRQQKSKMVVBJIL-OALUTQOASA-N 0 3 491.624 3.471 20 0 JGADHN CC1CCN(CCCn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC001305103039 1068169586 /nfs/dbraw/zinc/16/95/86/1068169586.db2.gz CODRGOTYELAIKH-QFIPXVFZSA-N 0 3 477.650 3.143 20 0 JGADHN CC1CCN(CCCn2c(-c3ccc(Cl)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001305105101 1068173187 /nfs/dbraw/zinc/17/31/87/1068173187.db2.gz HOHMICCUBJLSEC-FQEVSTJZSA-N 0 3 466.051 3.344 20 0 JGADHN C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1CCc2ccccc2C1 ZINC001303653257 1068183893 /nfs/dbraw/zinc/18/38/93/1068183893.db2.gz NLDVZXZXQLZFKC-ZFJSRUIDSA-N 0 3 482.673 3.345 20 0 JGADHN C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(F)cc2)n1C[C@@H](c1cccs1)N(C)C ZINC001305115899 1068195076 /nfs/dbraw/zinc/19/50/76/1068195076.db2.gz AAELFKSGHUGURS-APWZRJJASA-N 0 3 472.590 3.028 20 0 JGADHN C[C@H](CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)N1CCCCC1 ZINC001303665870 1068199395 /nfs/dbraw/zinc/19/93/95/1068199395.db2.gz GSQIEGARRBZFGH-DENIHFKCSA-N 0 3 493.649 3.274 20 0 JGADHN C[C@@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001305120723 1068202554 /nfs/dbraw/zinc/20/25/54/1068202554.db2.gz GBCAFRQQQPRVDJ-PIBIMKELSA-N 0 3 486.636 3.306 20 0 JGADHN C[C@@H](CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(N(C)C)CCSC1)c1nccs1 ZINC001303676533 1068214869 /nfs/dbraw/zinc/21/48/69/1068214869.db2.gz ZBAKUKHPXCGPOV-AOMKIAJQSA-N 0 3 486.671 3.059 20 0 JGADHN C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CCCO)CC1)N(C)Cc1ccccc1 ZINC001303688469 1068227131 /nfs/dbraw/zinc/22/71/31/1068227131.db2.gz ZDWMYJDISLTKLH-NRFANRHFSA-N 0 3 468.646 3.024 20 0 JGADHN C[C@H]1CN(c2nnc(-c3cnccn3)n2CCN(C)Cc2ccc(F)cc2)CCN1CC(F)(F)F ZINC001305165773 1068276588 /nfs/dbraw/zinc/27/65/88/1068276588.db2.gz QZSNCHQRFZOOIF-KRWDZBQOSA-N 0 3 492.525 3.079 20 0 JGADHN C[C@H]1CN(c2nnc(C3CCC3)n2CCN2CCN(C)C(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC001305170902 1068282767 /nfs/dbraw/zinc/28/27/67/1068282767.db2.gz PMHDOXRUSPLQEH-IBGZPJMESA-N 0 3 475.682 3.017 20 0 JGADHN C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCCN1CCCCC1 ZINC001303775639 1068354313 /nfs/dbraw/zinc/35/43/13/1068354313.db2.gz XUVWDEDXGNVYCX-IBGZPJMESA-N 0 3 472.659 3.182 20 0 JGADHN C[C@@H]1CN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](c2cccc(F)c2)N(C)C)CC(=O)N1C ZINC001305218038 1068354636 /nfs/dbraw/zinc/35/46/36/1068354636.db2.gz VHWSPJNGYUUYCT-PIBIMKELSA-N 0 3 486.636 3.306 20 0 JGADHN CO[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H]1CCN(C)[C@H]1C ZINC001303798380 1068389937 /nfs/dbraw/zinc/38/99/37/1068389937.db2.gz ANSBBSWFXNOYBP-OOADCZFESA-N 0 3 451.567 3.137 20 0 JGADHN C[C@H]1OCC[C@]1(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(C)(C)C)CC1 ZINC001305246129 1068399330 /nfs/dbraw/zinc/39/93/30/1068399330.db2.gz QSSZVICCBHSADA-QRQCRPRQSA-N 0 3 451.974 3.198 20 0 JGADHN C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001305248197 1068404536 /nfs/dbraw/zinc/40/45/36/1068404536.db2.gz BHUVDPGGYAIIRH-UQBPGWFLSA-N 0 3 475.609 3.094 20 0 JGADHN CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@@H](c2cccc(OC)c2)N(C)C)C1 ZINC001305264173 1068440356 /nfs/dbraw/zinc/44/03/56/1068440356.db2.gz KORGTVNQLNOCSU-REWPJTCUSA-N 0 3 479.629 3.090 20 0 JGADHN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)[C@@H]3CCCC[C@@H]32)n1CCN(C)Cc1ccc(F)cc1 ZINC001303827171 1068445537 /nfs/dbraw/zinc/44/55/37/1068445537.db2.gz OSCOXVZCRXOOMF-GPHNJDIKSA-N 0 3 492.665 3.174 20 0 JGADHN CCC(C)(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001305276711 1068478046 /nfs/dbraw/zinc/47/80/46/1068478046.db2.gz GMKASXJLLFWZDM-HXUWFJFHSA-N 0 3 484.645 3.141 20 0 JGADHN CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC001305278055 1068479439 /nfs/dbraw/zinc/47/94/39/1068479439.db2.gz NXSKSEAIRQWEQB-KBOSCXGNSA-N 0 3 498.672 3.108 20 0 JGADHN CC[C@](C)(O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001305290637 1068493721 /nfs/dbraw/zinc/49/37/21/1068493721.db2.gz ZHCDRSZDLWNFRH-CLOONOSVSA-N 0 3 475.609 3.267 20 0 JGADHN CC[C@@](C)(O)Cn1c(-c2ccccc2Br)nnc1N1CCN(C2CCOCC2)CC1 ZINC001305299308 1068507858 /nfs/dbraw/zinc/50/78/58/1068507858.db2.gz KJNKYIGXJNFFCV-JOCHJYFZSA-N 0 3 478.435 3.170 20 0 JGADHN CCCN(C(=O)CNC(=O)c1ccc(OC)c(OC)c1)C1CCN(Cc2ccccc2)CC1 ZINC001305307103 1068514876 /nfs/dbraw/zinc/51/48/76/1068514876.db2.gz QAYBCGKFECPNLR-UHFFFAOYSA-N 0 3 453.583 3.337 20 0 JGADHN C[C@@H](O)c1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCN(CCC(C)(C)C)CC2)cc1 ZINC001303887301 1068525523 /nfs/dbraw/zinc/52/55/23/1068525523.db2.gz HTPWTUVIVYRSJO-HXUWFJFHSA-N 0 3 468.646 3.060 20 0 JGADHN CC(C)N1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCCN2CCOCC2)CC1 ZINC001303897365 1068538509 /nfs/dbraw/zinc/53/85/09/1068538509.db2.gz INXQAQWFKWFZSU-OAQYLSRUSA-N 0 3 474.625 3.200 20 0 JGADHN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCC(C)(F)F ZINC001303897908 1068539426 /nfs/dbraw/zinc/53/94/26/1068539426.db2.gz MYODBODTSSLIJE-PXNSSMCTSA-N 0 3 494.562 3.345 20 0 JGADHN CC(C)N1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN2CCSCC2)CC1 ZINC001303898428 1068540592 /nfs/dbraw/zinc/54/05/92/1068540592.db2.gz PDENPROXUYZCGY-LJQANCHMSA-N 0 3 462.639 3.136 20 0 JGADHN CC[C@H](C)[C@](C)(O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC(C)C)CC1 ZINC001305329266 1068553830 /nfs/dbraw/zinc/55/38/30/1068553830.db2.gz OJXWOFJHIXPDCU-HFZDXXHNSA-N 0 3 484.693 3.027 20 0 JGADHN CC[C@H](C)[C@@](C)(O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001305340761 1068575965 /nfs/dbraw/zinc/57/59/65/1068575965.db2.gz XWBGKYAJYYUPEE-OWHZGTRUSA-N 0 3 476.065 3.478 20 0 JGADHN CC[C@H](C)[C@@H](Cn1c(CCc2ccccc2)nnc1N1CCN(C2CCOCC2)CC1)OC ZINC001305359108 1068610583 /nfs/dbraw/zinc/61/05/83/1068610583.db2.gz MELXHXCORZVOIF-XUZZJYLKSA-N 0 3 455.647 3.425 20 0 JGADHN CC[C@H](C)c1nnc(N(C)CC(C)(C)CN2CCOCC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC001305374169 1068628767 /nfs/dbraw/zinc/62/87/67/1068628767.db2.gz CODNJGVDKDXMNR-FKBYEOEOSA-N 0 3 478.726 3.474 20 0 JGADHN CC[C@H](C)c1nnc(N(CC)[C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CCc2ccccc2)C1 ZINC001305401946 1068643620 /nfs/dbraw/zinc/64/36/20/1068643620.db2.gz SSGQDCVWNJFYMD-PMVMPFDFSA-N 0 3 473.687 3.370 20 0 JGADHN CC[C@H](C)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1C[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC001305410825 1068649405 /nfs/dbraw/zinc/64/94/05/1068649405.db2.gz OTGQOXWSGVSCHW-JQVVWYNYSA-N 0 3 454.619 3.304 20 0 JGADHN CC[C@H](C)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1C[C@H](c1cccc(OC)c1)N1CCCC1 ZINC001305410812 1068649448 /nfs/dbraw/zinc/64/94/48/1068649448.db2.gz OQZRCFMPSZXWAD-CNNODRBYSA-N 0 3 454.619 3.304 20 0 JGADHN CC[C@H](C)c1nnc(N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CC(C)(C)SC ZINC001305413003 1068652062 /nfs/dbraw/zinc/65/20/62/1068652062.db2.gz SKVNRKZKBWDSEE-NLWGTHIKSA-N 0 3 450.697 3.312 20 0 JGADHN CC[C@H](C)c1nnc(N2C[C@H](C)O[C@]3(CCOC3)C2)n1C[C@@H](c1cccc(OC)c1)N(C)C ZINC001305418502 1068655198 /nfs/dbraw/zinc/65/51/98/1068655198.db2.gz GZIALEGGRJECKP-DZNWXHPMSA-N 0 3 457.619 3.487 20 0 JGADHN CC[C@H](C)c1nnc(N2C[C@H](C)O[C@@]3(CCOC3)C2)n1C[C@@H](c1cccc(OC)c1)N(C)C ZINC001305418511 1068655225 /nfs/dbraw/zinc/65/52/25/1068655225.db2.gz GZIALEGGRJECKP-LSYVANFTSA-N 0 3 457.619 3.487 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCC(C(=O)NC3CCCCC3)CC2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001305426571 1068664159 /nfs/dbraw/zinc/66/41/59/1068664159.db2.gz PLGAUESPTNYNJX-YADHBBJMSA-N 0 3 487.737 3.483 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1C[C@@H](c1ccco1)N(CC)CC ZINC001305434505 1068671445 /nfs/dbraw/zinc/67/14/45/1068671445.db2.gz NDSZMAHMTHSNQI-FXJWSJNKSA-N 0 3 485.633 3.282 20 0 JGADHN CC[C@H](C)c1nnc(N2CC[C@@H](N3CCN(CC)CC3)C2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001305454878 1068694090 /nfs/dbraw/zinc/69/40/90/1068694090.db2.gz ASXSVVIBQCJKIY-AZUAARDMSA-N 0 3 495.594 3.392 20 0 JGADHN CC[C@@H](C)c1nnc(N2CC[C@H](N3CCN(CC)CC3)C2)n1Cc1nnc(C(C)(C)C)s1 ZINC001305456570 1068696703 /nfs/dbraw/zinc/69/67/03/1068696703.db2.gz GKANPYMVWKKJNU-MSOLQXFVSA-N 0 3 460.696 3.205 20 0 JGADHN CC[C@H](C)c1nnc(N2CC[C@](O)(c3cccc(F)c3)C2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001305457398 1068698480 /nfs/dbraw/zinc/69/84/80/1068698480.db2.gz HDGMIZVYGFIAFP-YZIHRLCOSA-N 0 3 472.653 3.302 20 0 JGADHN CC[C@H](C)c1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1C[C@](C)(O)c1ccc(F)cc1 ZINC001305458907 1068700831 /nfs/dbraw/zinc/70/08/31/1068700831.db2.gz PTFHCCWXPLGXNX-CHZKFRDHSA-N 0 3 472.653 3.443 20 0 JGADHN CC[C@H](C)c1nnc(N2CCC[C@@H](Oc3ncccc3F)C2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001305481968 1068718690 /nfs/dbraw/zinc/71/86/90/1068718690.db2.gz BAABYYJVIJWGSB-PCCBWWKXSA-N 0 3 473.641 3.400 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)CC3CCCCC3)CC2)n1CCCN1CCN(CC)CC1 ZINC001305513491 1068757860 /nfs/dbraw/zinc/75/78/60/1068757860.db2.gz JWPUUJSRTAXESS-QHCPKHFHSA-N 0 3 487.737 3.438 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C(=O)CN(CC)CC)CC2)n1C[C@H](C)N1CCc2ccccc21 ZINC001305514538 1068760807 /nfs/dbraw/zinc/76/08/07/1068760807.db2.gz PQRVFTMYLVOYHS-VXKWHMMOSA-N 0 3 481.689 3.233 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001305520356 1068772435 /nfs/dbraw/zinc/77/24/35/1068772435.db2.gz WPKCCCDVDBBYHE-YZUZCNPQSA-N 0 3 499.679 3.367 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(c3cccnn3)CC2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001305528106 1068781795 /nfs/dbraw/zinc/78/17/95/1068781795.db2.gz USHGZLPHXJHCOI-WIYYLYMNSA-N 0 3 452.582 3.350 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(c3ccnc(C)n3)CC2)n1CCN(C)Cc1ccc(F)cc1 ZINC001305530980 1068786378 /nfs/dbraw/zinc/78/63/78/1068786378.db2.gz BOZLBZPKXNGSLJ-IBGZPJMESA-N 0 3 466.609 3.488 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(C[C@H]3CCCO3)CC2)n1C[C@@H](c1cccc(OC)c1)N(C)C ZINC001305540747 1068810504 /nfs/dbraw/zinc/81/05/04/1068810504.db2.gz FFXWKRSHVGKDNG-ZTCOLXNVSA-N 0 3 470.662 3.404 20 0 JGADHN CC[C@@H](C)c1nnc(N2CCN(CCN(C)Cc3ccccc3)CC2)n1C[C@H]1CC=CCO1 ZINC001305545178 1068822341 /nfs/dbraw/zinc/82/23/41/1068822341.db2.gz VOOOTHRZFYPNSX-ISKFKSNPSA-N 0 3 452.647 3.391 20 0 JGADHN CC[C@H](C)c1nnc(N2CCN(CCN(C)Cc3ccccc3)CC2)n1C[C@@H]1CC=CCO1 ZINC001305545180 1068822824 /nfs/dbraw/zinc/82/28/24/1068822824.db2.gz VOOOTHRZFYPNSX-UPVQGACJSA-N 0 3 452.647 3.391 20 0 JGADHN CC[C@H](C)c1nnc(Nc2cnn([C@H]3CC3(F)F)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001305574219 1068847305 /nfs/dbraw/zinc/84/73/05/1068847305.db2.gz QTTHDHRXFDSODH-JQHSSLGASA-N 0 3 464.565 3.255 20 0 JGADHN CC[C@H](C)N(C)CCn1c(-c2ccc(C)c(Br)c2)nnc1N(C)CCS(C)(=O)=O ZINC001305603682 1068867881 /nfs/dbraw/zinc/86/78/81/1068867881.db2.gz ARTBVGMKYLIZLE-INIZCTEOSA-N 0 3 486.480 3.227 20 0 JGADHN CC[C@H](C)N(C)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCS(=O)(=O)CC1 ZINC001305604148 1068869434 /nfs/dbraw/zinc/86/94/34/1068869434.db2.gz CFHNCXZTRCKBCB-IRXDYDNUSA-N 0 3 465.689 3.097 20 0 JGADHN CC[C@@H](C)N(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 ZINC001305605278 1068871284 /nfs/dbraw/zinc/87/12/84/1068871284.db2.gz DNPJWTQRISYSEE-CTNGQTDRSA-N 0 3 489.686 3.210 20 0 JGADHN CC[C@@H](C)N(C)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001305609920 1068883346 /nfs/dbraw/zinc/88/33/46/1068883346.db2.gz XFFKALILLZVVPB-HXOBKFHXSA-N 0 3 496.077 3.352 20 0 JGADHN CC[C@@H](C)N(C)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001305609930 1068883381 /nfs/dbraw/zinc/88/33/81/1068883381.db2.gz XFFKALILLZVVPB-UZUQRXQVSA-N 0 3 496.077 3.352 20 0 JGADHN CC[C@H](C)N(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 ZINC001305610101 1068883988 /nfs/dbraw/zinc/88/39/88/1068883988.db2.gz XYXOFSQXRSMXNK-VLCRHTCISA-N 0 3 475.659 3.227 20 0 JGADHN CC[C@@H](C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCSC2(CCCCC2)C1 ZINC001305616789 1068896428 /nfs/dbraw/zinc/89/64/28/1068896428.db2.gz IGPVDZPUFIJWRG-RTBURBONSA-N 0 3 469.721 3.167 20 0 JGADHN CC[C@H](C)N(C)CCn1c(Cn2ccc3ccccc32)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC001305618422 1068900996 /nfs/dbraw/zinc/90/09/96/1068900996.db2.gz FRELMMQVSGAXDC-PZJWPPBQSA-N 0 3 472.659 3.025 20 0 JGADHN CC[C@H](C)N(C)CCn1c(Cn2ccc3ccccc32)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 ZINC001305618420 1068901110 /nfs/dbraw/zinc/90/11/10/1068901110.db2.gz FRELMMQVSGAXDC-FPOVZHCZSA-N 0 3 472.659 3.025 20 0 JGADHN CC[C@@H](C)N(C)CCn1c(COc2cccc(C)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001305623070 1068912484 /nfs/dbraw/zinc/91/24/84/1068912484.db2.gz WJLXTJJHQXSABX-IFMALSPDSA-N 0 3 477.675 3.299 20 0 JGADHN CC[C@H](C)N(C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC001305623504 1068914335 /nfs/dbraw/zinc/91/43/35/1068914335.db2.gz VIIYBWPIKXDOMA-OMQSBVIBSA-N 0 3 471.712 3.185 20 0 JGADHN CC[C@H](C)N(C)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC001305623503 1068914442 /nfs/dbraw/zinc/91/44/42/1068914442.db2.gz VIIYBWPIKXDOMA-CENDIDJXSA-N 0 3 471.712 3.185 20 0 JGADHN CC[C@@H](C)N(C)CCn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1C1(c2ccccc2)CCC1 ZINC001305624168 1068917152 /nfs/dbraw/zinc/91/71/52/1068917152.db2.gz ZXFJQDMUMJBCGN-TZIWHRDSSA-N 0 3 459.660 3.102 20 0 JGADHN CC[C@H](C)NC(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001305630070 1068933861 /nfs/dbraw/zinc/93/38/61/1068933861.db2.gz WCRASYZYZUFPTA-OALUTQOASA-N 0 3 475.037 3.062 20 0 JGADHN CC[C@H](C)NC(=O)CN1CCN(c2nnc(C3CCC3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 ZINC001305650411 1068985744 /nfs/dbraw/zinc/98/57/44/1068985744.db2.gz TZHMJZVPOMEGOF-WMZHIEFXSA-N 0 3 485.652 3.024 20 0 JGADHN CC[C@@H](c1nnc(N2CC[C@@H](N3CCN(CC)CC3)C2)n1C[C@H](F)COC)c1ccccc1 ZINC001305668209 1069011354 /nfs/dbraw/zinc/01/13/54/1069011354.db2.gz UOHSOLQEQBVNPW-YTFSRNRJSA-N 0 3 458.626 3.021 20 0 JGADHN CC[C@H](c1nnc(N2CCN(CC(C)C)C(=O)C2)n1CCN1CC=CCC1)c1ccccc1 ZINC001305679579 1069037695 /nfs/dbraw/zinc/03/76/95/1069037695.db2.gz YKTOCNBVPKWXHP-QHCPKHFHSA-N 0 3 450.631 3.387 20 0 JGADHN CCC(CC)(Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@H]2CCOC2)CC1)SC ZINC001305689258 1069053535 /nfs/dbraw/zinc/05/35/35/1069053535.db2.gz RPBUDQRQXABXFZ-LJQANCHMSA-N 0 3 487.674 3.006 20 0 JGADHN CCC(CC)[C@@H](Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](NC(C)=O)C1)N1CCOCC1 ZINC001305707444 1069098396 /nfs/dbraw/zinc/09/83/96/1069098396.db2.gz FSPYPJILMYGDON-UKILVPOCSA-N 0 3 482.673 3.495 20 0 JGADHN CCC(CC)[C@@H](CCn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1C(C)(C)C)OC ZINC001305707661 1069098966 /nfs/dbraw/zinc/09/89/66/1069098966.db2.gz SHBFCAPFMOLJKW-OAQYLSRUSA-N 0 3 462.683 3.161 20 0 JGADHN CCC(CC)[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H](S(C)(=O)=O)C1)N(C)C ZINC001305709409 1069104171 /nfs/dbraw/zinc/10/41/71/1069104171.db2.gz PCISPGIZQRZDGJ-NZQKXSOJSA-N 0 3 484.670 3.483 20 0 JGADHN CCC(CC)[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H](S(C)(=O)=O)C1)N(C)C ZINC001305709411 1069104218 /nfs/dbraw/zinc/10/42/18/1069104218.db2.gz PCISPGIZQRZDGJ-REWPJTCUSA-N 0 3 484.670 3.483 20 0 JGADHN CCC(CC)[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)N(C)C ZINC001305709603 1069104827 /nfs/dbraw/zinc/10/48/27/1069104827.db2.gz QOHPBRVOOHGAAZ-OFNKIYASSA-N 0 3 484.670 3.483 20 0 JGADHN CCC(CC)[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)N(C)C ZINC001305709605 1069104880 /nfs/dbraw/zinc/10/48/80/1069104880.db2.gz QOHPBRVOOHGAAZ-REWPJTCUSA-N 0 3 484.670 3.483 20 0 JGADHN CCC(CC)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)N(C)C ZINC001305711539 1069110609 /nfs/dbraw/zinc/11/06/09/1069110609.db2.gz OPZIMPYCLNZOIS-IRLDBZIGSA-N 0 3 476.691 3.418 20 0 JGADHN CCC(CC)[C@H](Cn1c(CCc2ccccc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1)N(C)C ZINC001305716578 1069122913 /nfs/dbraw/zinc/12/29/13/1069122913.db2.gz QHZKNHHGECNQPR-OZXSUGGESA-N 0 3 487.714 3.445 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(F)c(F)c2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305724102 1069138180 /nfs/dbraw/zinc/13/81/80/1069138180.db2.gz QLJQHHXZJPEERA-UHFFFAOYSA-N 0 3 491.631 3.137 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N(C)Cc2nc3ccsc3c(=O)[nH]2)n1C[C@H]1CCCN1CC ZINC001305724729 1069139847 /nfs/dbraw/zinc/13/98/47/1069139847.db2.gz KWAQGLRKWPWNFK-MRXNPFEDSA-N 0 3 486.646 3.028 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)n1CCCC(C)C ZINC001305735464 1069156601 /nfs/dbraw/zinc/15/66/01/1069156601.db2.gz HQMUZIDKYZRRKN-NZQKXSOJSA-N 0 3 489.709 3.012 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1Cc1nnc(C(C)(C)C)s1 ZINC001305742025 1069175454 /nfs/dbraw/zinc/17/54/54/1069175454.db2.gz UGGYDZJSYJTLAO-JKSUJKDBSA-N 0 3 476.695 3.313 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)n1CCN1CCCC1 ZINC001305742903 1069178136 /nfs/dbraw/zinc/17/81/36/1069178136.db2.gz CLEATMLRRYFFRT-OALUTQOASA-N 0 3 491.681 3.032 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@@H](C)N(CC)C[C@@H]2C)n1CCCn1nc(C)cc1C ZINC001305743751 1069181143 /nfs/dbraw/zinc/18/11/43/1069181143.db2.gz YLXOSLXHHITVDJ-UXHICEINSA-N 0 3 458.655 3.019 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1CCCn1nc(C)cc1C ZINC001305743752 1069181209 /nfs/dbraw/zinc/18/12/09/1069181209.db2.gz YLXOSLXHHITVDJ-VQTJNVASSA-N 0 3 458.655 3.019 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1Cc1ccc([C@@H](C)O)cc1 ZINC001305744101 1069182484 /nfs/dbraw/zinc/18/24/84/1069182484.db2.gz ZVJGBMPAASRPGK-GBESFXJTSA-N 0 3 456.635 3.217 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1Cc1ccc([C@H](C)O)cc1 ZINC001305744098 1069182619 /nfs/dbraw/zinc/18/26/19/1069182619.db2.gz ZVJGBMPAASRPGK-FHWLQOOXSA-N 0 3 456.635 3.217 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC([C@@H]3CCOC3)CC2)n1C[C@@H]1CCCCN1CC ZINC001305752229 1069199238 /nfs/dbraw/zinc/19/92/38/1069199238.db2.gz OELOELSERSXNRE-IRLDBZIGSA-N 0 3 460.667 3.324 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCC[C@@H]2c2cnn(C)c2)n1CCN1CCC[C@H](C)C1 ZINC001305776305 1069259655 /nfs/dbraw/zinc/25/96/55/1069259655.db2.gz SVDAEOMZGRPHOX-GHTZIAJQSA-N 0 3 456.639 3.003 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCOCC3)CC2)n1C[C@H](C)c1ccccc1 ZINC001305785167 1069284674 /nfs/dbraw/zinc/28/46/74/1069284674.db2.gz IKTKVERWAHXQFJ-FQEVSTJZSA-N 0 3 468.646 3.301 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(CC(C)C)CC2)n1C[C@@](C)(O)c1cc(C)oc1C ZINC001305785377 1069285831 /nfs/dbraw/zinc/28/58/31/1069285831.db2.gz FOSAQJLJZONGJF-RUZDIDTESA-N 0 3 474.650 3.092 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1Cc1ccccc1COC ZINC001305786415 1069290050 /nfs/dbraw/zinc/29/00/50/1069290050.db2.gz TUPIOQXHQBITTR-FQEVSTJZSA-N 0 3 498.672 3.081 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1C[C@H]1CCC(F)(F)C1 ZINC001305786922 1069291847 /nfs/dbraw/zinc/29/18/47/1069291847.db2.gz ZGVBCMGECAYKAP-MSOLQXFVSA-N 0 3 482.620 3.321 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1C[C@H](C)c1ccccc1 ZINC001305788994 1069298728 /nfs/dbraw/zinc/29/87/28/1069298728.db2.gz YYUKYAOWBKSLLK-LEWJYISDSA-N 0 3 468.646 3.159 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@@H]1N(C)CCCC1(C)C ZINC001305789954 1069300715 /nfs/dbraw/zinc/30/07/15/1069300715.db2.gz GORCAJPNEBWDER-IRXDYDNUSA-N 0 3 474.572 3.084 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1C[C@H]1N(C)CCCC1(C)C ZINC001305789957 1069300889 /nfs/dbraw/zinc/30/08/89/1069300889.db2.gz GORCAJPNEBWDER-SJORKVTESA-N 0 3 474.572 3.084 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCNC(=O)[C@@H]2CC)n1C[C@H](c1ccc(C)cc1)N1CCCC1 ZINC001305790733 1069302188 /nfs/dbraw/zinc/30/21/88/1069302188.db2.gz XBKNTTVWNAELGW-XZOQPEGZSA-N 0 3 495.672 3.057 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](c3ccc(F)cc3)C2)n1C[C@H]1CCCN1CC ZINC001305792091 1069304974 /nfs/dbraw/zinc/30/49/74/1069304974.db2.gz QMKURJYPENQNNZ-FGZHOGPDSA-N 0 3 472.609 3.398 20 0 JGADHN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](c3ccco3)C2)n1C[C@@H]1N(C)CCCC1(C)C ZINC001305792352 1069306249 /nfs/dbraw/zinc/30/62/49/1069306249.db2.gz AXNQCZGMUKKPJQ-SFTDATJTSA-N 0 3 472.634 3.488 20 0 JGADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cnc(Cl)cc3C(=O)OC)CC2)CC1 ZINC001164614779 719025425 /nfs/dbraw/zinc/02/54/25/719025425.db2.gz YENNNNJKJMODNJ-UHFFFAOYSA-N 0 3 459.921 3.310 20 0 JGADHN NS(=O)(=O)c1cnc(Cl)c(C(F)(F)N2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC001164630105 719092132 /nfs/dbraw/zinc/09/21/32/719092132.db2.gz VIMCOEOHRBCUOL-CRAIPNDOSA-N 0 3 456.946 3.028 20 0 JGADHN Cc1cc2c(ncnc2N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)n1S(=O)(=O)c1ccccc1 ZINC001164722597 720353627 /nfs/dbraw/zinc/35/36/27/720353627.db2.gz FMLJACSPBMHTSG-XZOQPEGZSA-N 0 3 474.590 3.225 20 0 JGADHN O=C(c1cccnc1N1CC[C@H]2[C@H]1CCN2Cc1cccnc1)N1CCN(Cc2ccccc2)CC1 ZINC001164731367 720406791 /nfs/dbraw/zinc/40/67/91/720406791.db2.gz ZHJGQGFYUHLLLA-RRPNLBNLSA-N 0 3 482.632 3.288 20 0 JGADHN COc1ccc(Cn2cc3[nH]c(N4CC[C@H]5[C@H]4CCN5Cc4cccnc4)ccc-3c2=O)cc1 ZINC001164735339 720429399 /nfs/dbraw/zinc/42/93/99/720429399.db2.gz WHUSAKIUUWHECK-LOSJGSFVSA-N 0 3 455.562 3.494 20 0 JGADHN Cc1sc2nc(CN3CCOCC3)nc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c2c1C ZINC001164731496 720439393 /nfs/dbraw/zinc/43/93/93/720439393.db2.gz KYEOGKZQKODANC-NHCUHLMSSA-N 0 3 464.639 3.389 20 0 JGADHN COc1cc2c(cc1OCc1ccccc1)ncnc2N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164746245 720645661 /nfs/dbraw/zinc/64/56/61/720645661.db2.gz WJUNUQIXJQJCGM-NHCUHLMSSA-N 0 3 484.560 3.349 20 0 JGADHN O=C(c1cccnc1N1CCCn2cnc(CNC3CCC3)c2C1)N1CCN(Cc2ccccc2)CC1 ZINC001164838624 720738612 /nfs/dbraw/zinc/73/86/12/720738612.db2.gz TZULIWGUIBHDBG-UHFFFAOYSA-N 0 3 499.663 3.289 20 0 JGADHN c1cc(C2OCCCO2)ccc1-c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164746902 720740564 /nfs/dbraw/zinc/74/05/64/720740564.db2.gz YVXOSQMETSTLHP-XZOQPEGZSA-N 0 3 459.550 3.316 20 0 JGADHN COc1ccc(-c2csc3ncnc(N4CCN5C[C@@H](Oc6cncnc6)C[C@@H]5C4)c23)cc1 ZINC001164744800 720757598 /nfs/dbraw/zinc/75/75/98/720757598.db2.gz SSRFTOWOAFIGDU-MJGOQNOKSA-N 0 3 460.563 3.499 20 0 JGADHN c1ncc(O[C@H]2C[C@H]3CN(c4nc(CN5CCCC5)nc5sc6c(c54)CCCC6)CCN3C2)cn1 ZINC001164741848 720764885 /nfs/dbraw/zinc/76/48/85/720764885.db2.gz NDETZTPBLYZWCB-OALUTQOASA-N 0 3 491.665 3.298 20 0 JGADHN c1ncc(O[C@H]2C[C@@H]3CN(c4nc(CN5CCCC5)nc5sc6c(c54)CCCC6)CCN3C2)cn1 ZINC001164741844 720765930 /nfs/dbraw/zinc/76/59/30/720765930.db2.gz NDETZTPBLYZWCB-MOPGFXCFSA-N 0 3 491.665 3.298 20 0 JGADHN c1cc(N2CCCCC2)ccc1-c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nn1 ZINC001164748215 720793849 /nfs/dbraw/zinc/79/38/49/720793849.db2.gz QBSDHMXZJZEDJE-XZOQPEGZSA-N 0 3 457.582 3.266 20 0 JGADHN C[C@H]1CCCN1C(=O)c1nn(-c2nc(Cl)nc3c2CN(Cc2ccccc2)CC3)c2c1CNCC2 ZINC001164847693 720805578 /nfs/dbraw/zinc/80/55/78/720805578.db2.gz NJUOHHPIIASLFN-KRWDZBQOSA-N 0 3 492.027 3.144 20 0 JGADHN Clc1nc(Cl)c2nc(Cl)nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2n1 ZINC001164870462 721066315 /nfs/dbraw/zinc/06/63/15/721066315.db2.gz VYBXCNRYIFJSQC-OLZOCXBDSA-N 0 3 466.760 3.255 20 0 JGADHN Clc1nc2c(ncn2Cc2ccccc2)c(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164866531 721068730 /nfs/dbraw/zinc/06/87/30/721068730.db2.gz FCMLZWKKADJRIH-NHCUHLMSSA-N 0 3 475.984 3.403 20 0 JGADHN COc1cc2nc(Cl)nc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c2cc1OC ZINC001164867974 721074400 /nfs/dbraw/zinc/07/44/00/721074400.db2.gz LOAMFIDFCFDLFB-DLBZAZTESA-N 0 3 455.946 3.175 20 0 JGADHN CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866415 721081773 /nfs/dbraw/zinc/08/17/73/721081773.db2.gz TZWNZQDOWWZURN-QZTJIDSGSA-N 0 3 467.957 3.335 20 0 JGADHN CCOC(=O)c1cnc2ccc(Cl)nc2c1N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164766390 721123797 /nfs/dbraw/zinc/12/37/97/721123797.db2.gz KXUQKBZFSGAYCM-IRXDYDNUSA-N 0 3 454.962 3.152 20 0 JGADHN CCOC(=O)c1sc2nc(C)nc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)c2c1C ZINC001164773363 721193712 /nfs/dbraw/zinc/19/37/12/721193712.db2.gz WPVSESIEEGEPIL-QZTJIDSGSA-N 0 3 454.600 3.177 20 0 JGADHN CCOC(=O)c1cnc2cc(N3CCC[C@@]4(C3)COCCN(Cc3c(C)noc3C)C4)[nH]cc1-2 ZINC001164782990 721363976 /nfs/dbraw/zinc/36/39/76/721363976.db2.gz OTCVKSSRIOCDGM-RUZDIDTESA-N 0 3 467.570 3.463 20 0 JGADHN CCOC(=O)c1cnc2cc(N3CCC[C@]4(C3)COCCN(Cc3c(C)noc3C)C4)[nH]cc1-2 ZINC001164782992 721364505 /nfs/dbraw/zinc/36/45/05/721364505.db2.gz OTCVKSSRIOCDGM-VWLOTQADSA-N 0 3 467.570 3.463 20 0 JGADHN CCOC(=O)c1cc2ccc(N3CCC4(C[C@H](COCC5CC5)[N@H+](CCOC)C4)CC3)nc2[n-]1 ZINC001164782743 721463087 /nfs/dbraw/zinc/46/30/87/721463087.db2.gz BIDOFYWMLZNCIJ-OAQYLSRUSA-N 0 3 470.614 3.474 20 0 JGADHN CCOC(=O)c1cc2ccc(N3CCC4(C[C@H](COCC5CC5)[N@@H+](CCOC)C4)CC3)nc2[n-]1 ZINC001164782743 721463090 /nfs/dbraw/zinc/46/30/90/721463090.db2.gz BIDOFYWMLZNCIJ-OAQYLSRUSA-N 0 3 470.614 3.474 20 0 JGADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4ncnc5c4ncn5Cc4ccccc4F)CCN3C2)c1 ZINC001164903071 721541442 /nfs/dbraw/zinc/54/14/42/721541442.db2.gz BZTAQFABVHXUOR-PZJWPPBQSA-N 0 3 462.504 3.495 20 0 JGADHN COC(=O)c1ccc(NC(=O)C(C)(C)C)c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164906925 721546933 /nfs/dbraw/zinc/54/69/33/721546933.db2.gz LVPKSZVRLJDABC-IEBWSBKVSA-N 0 3 470.545 3.334 20 0 JGADHN CCC(C)(C)NS(=O)(=O)c1ccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164907240 721555608 /nfs/dbraw/zinc/55/56/08/721555608.db2.gz MYLRPCPDDRUIQR-ICSRJNTNSA-N 0 3 462.591 3.030 20 0 JGADHN COc1cccc(CN2C[C@H]3CCN(c4ccc(CN5CCCC5)cn4)CC[C@H]3S2(=O)=O)c1 ZINC001164808895 721592817 /nfs/dbraw/zinc/59/28/17/721592817.db2.gz RJNZZJQENOVMGV-ISKFKSNPSA-N 0 3 470.639 3.117 20 0 JGADHN CCOC(=O)c1c[n-]c2nc[nH+]c(N(C)C3CCN(Cc4c(OC)cccc4OC)CC3)c12 ZINC001165023466 721839510 /nfs/dbraw/zinc/83/95/10/721839510.db2.gz YQCUPHDYQLREFV-UHFFFAOYSA-N 0 3 453.543 3.253 20 0 JGADHN FC(F)[C@@](F)(COc1cncc(Cl)n1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164959970 722060453 /nfs/dbraw/zinc/06/04/53/722060453.db2.gz BBODJRZVGKPFSR-JOCHJYFZSA-N 0 3 485.938 3.449 20 0 JGADHN CCOC(=O)c1c2ccccn2c2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c21 ZINC001164981642 722100164 /nfs/dbraw/zinc/10/01/64/722100164.db2.gz LUSSAUHRWQWPBW-IRLDBZIGSA-N 0 3 486.576 3.182 20 0 JGADHN O=C(NCc1ccccc1)c1cccnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164980059 722103635 /nfs/dbraw/zinc/10/36/35/722103635.db2.gz JEBUEKLLJJGRKV-NOZRDPDXSA-N 0 3 457.578 3.134 20 0 JGADHN FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164975466 722105098 /nfs/dbraw/zinc/10/50/98/722105098.db2.gz BVFQBGISJRPBFR-OALUTQOASA-N 0 3 478.975 3.397 20 0 JGADHN FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975468 722105150 /nfs/dbraw/zinc/10/51/50/722105150.db2.gz BVFQBGISJRPBFR-RTBURBONSA-N 0 3 478.975 3.397 20 0 JGADHN COC(=O)c1cc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)cnc1Cl ZINC001164972599 722109263 /nfs/dbraw/zinc/10/92/63/722109263.db2.gz GDBHROVLSOBUPF-APWZRJJASA-N 0 3 466.916 3.189 20 0 JGADHN COC(=O)c1cc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)cnc1Cl ZINC001164972602 722109316 /nfs/dbraw/zinc/10/93/16/722109316.db2.gz GDBHROVLSOBUPF-LPHOPBHVSA-N 0 3 466.916 3.189 20 0 JGADHN COC(=O)c1ccc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(Cl)n1 ZINC001164971017 722113518 /nfs/dbraw/zinc/11/35/18/722113518.db2.gz BBTXJQSFLSRJRE-QFBILLFUSA-N 0 3 466.916 3.189 20 0 JGADHN COC(=O)c1cc(Cl)nc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164983661 722125321 /nfs/dbraw/zinc/12/53/21/722125321.db2.gz YXLPLNORPHHPEQ-AEFFLSMTSA-N 0 3 466.916 3.189 20 0 JGADHN CCOC(=O)c1cc2c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)[nH]c(C)c(C)c-2n1 ZINC001164980405 722127416 /nfs/dbraw/zinc/12/74/16/722127416.db2.gz QZDAANSHFXQZNL-OFNKIYASSA-N 0 3 463.582 3.479 20 0 JGADHN c1cncc(CN2CCO[C@H]3CN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)CC[C@@H]3C2)c1 ZINC001164983821 722147236 /nfs/dbraw/zinc/14/72/36/722147236.db2.gz VJZWYBBLMAVRBY-GJZUVCINSA-N 0 3 473.577 3.427 20 0 JGADHN COc1ccc(-c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nn2)c(OC)c1OC ZINC001164977975 722150989 /nfs/dbraw/zinc/15/09/89/722150989.db2.gz JAHYPWFHBUCGSE-HYBUGGRVSA-N 0 3 491.592 3.292 20 0 JGADHN c1cncc(CN2CCO[C@@H]3CN(c4ccc(-c5ccc(N6CCOCC6)cc5)nn4)CC[C@H]3C2)c1 ZINC001164981561 722151202 /nfs/dbraw/zinc/15/12/02/722151202.db2.gz PJKWPACELFIBJJ-RPLLCQBOSA-N 0 3 486.620 3.103 20 0 JGADHN