smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1C ZINC000159723614 186137419 /nfs/dbraw/zinc/13/74/19/186137419.db2.gz QUZSIKMGELQKJD-UHFFFAOYSA-N 0 3 315.373 2.587 20 70 DFIDHN Cc1ccc([C@H](C)CNC(=O)NC[C@@H]2CCCN(C)C2)cc1 ZINC000159447857 398964590 /nfs/dbraw/zinc/96/45/90/398964590.db2.gz BFSLANRIQJPRIL-CVEARBPZSA-N 0 3 303.450 2.740 20 70 DFIDHN O=C(N[C@H]1CCN(CC2CC2)C1)c1coc(-c2ccccc2)n1 ZINC000159496137 398964708 /nfs/dbraw/zinc/96/47/08/398964708.db2.gz IOQJJDOXDNREDF-HNNXBMFYSA-N 0 3 311.385 2.556 20 70 DFIDHN C[C@H](c1cccc(O)c1)N(C)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000160628831 398971657 /nfs/dbraw/zinc/97/16/57/398971657.db2.gz CGFCGDGIWHMYNA-CJNGLKHVSA-N 0 3 317.433 2.579 20 70 DFIDHN CN(C)Cc1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000161417492 398976696 /nfs/dbraw/zinc/97/66/96/398976696.db2.gz GHRBUTJWHVROKP-UHFFFAOYSA-N 0 3 313.357 2.586 20 70 DFIDHN C=C[C@H](CC(=O)NC1CCN(CCOC)CC1)c1ccccc1 ZINC000160298974 197398344 /nfs/dbraw/zinc/39/83/44/197398344.db2.gz CFZMENGIMAIDJN-MRXNPFEDSA-N 0 3 316.445 2.573 20 70 DFIDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1nccn(C2CC2)c1=O ZINC000160211882 197393058 /nfs/dbraw/zinc/39/30/58/197393058.db2.gz PSBFNJOKWNRDRM-YOEHRIQHSA-N 0 3 324.428 2.511 20 70 DFIDHN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@H](C)N)s2)cc1 ZINC000160128875 197388077 /nfs/dbraw/zinc/38/80/77/197388077.db2.gz ZRHCVRUKVQQJOI-VHSXEESVSA-N 0 3 319.430 2.652 20 70 DFIDHN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@@H](C)N)s2)cc1 ZINC000160129376 197388106 /nfs/dbraw/zinc/38/81/06/197388106.db2.gz ZRHCVRUKVQQJOI-NXEZZACHSA-N 0 3 319.430 2.652 20 70 DFIDHN CSCC[C@H](N)C(=O)NCCOc1ccccc1C(C)(C)C ZINC000159512748 197359890 /nfs/dbraw/zinc/35/98/90/197359890.db2.gz BLTZKWYJJLQGDR-AWEZNQCLSA-N 0 3 324.490 2.560 20 70 DFIDHN Cc1nccc(NC(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c1Cl ZINC000159375164 542717346 /nfs/dbraw/zinc/71/73/46/542717346.db2.gz WWYOPVFTFDNGBV-GWCFXTLKSA-N 0 3 310.829 2.894 20 70 DFIDHN C[C@H](C(=O)N[C@H]1CCOc2ccccc21)N1CCC[C@@H](C)C1 ZINC000218674477 542878794 /nfs/dbraw/zinc/87/87/94/542878794.db2.gz LNBCLTIOLNBQQJ-FMKPAKJESA-N 0 3 302.418 2.747 20 70 DFIDHN CSC[C@@](C)(O)CNCc1cccc(OC(F)(F)F)c1 ZINC000217863160 146000585 /nfs/dbraw/zinc/00/05/85/146000585.db2.gz IBRIYUYITCQTDU-LBPRGKRZSA-N 0 3 309.353 2.789 20 70 DFIDHN COCCN(C)CCN[C@@H]1CCCOc2c(C)cc(C)cc21 ZINC000159402621 292426868 /nfs/dbraw/zinc/42/68/68/292426868.db2.gz JSTXXCPPVOTDJL-QGZVFWFLSA-N 0 3 306.450 2.685 20 70 DFIDHN CCO/C=C(/C#N)C(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000159396980 266178335 /nfs/dbraw/zinc/17/83/35/266178335.db2.gz NWYWLMDXDOOJAB-IZCBMXNHSA-N 0 3 315.417 2.676 20 70 DFIDHN C[C@@H](C(=O)N(C)CCC1CCOCC1)[C@@H](N)c1ccccc1 ZINC000160353331 425980756 /nfs/dbraw/zinc/98/07/56/425980756.db2.gz CUDDDGSZUXFKRY-RHSMWYFYSA-N 0 3 304.434 2.598 20 70 DFIDHN CCc1oc(C(=O)OC)cc1CN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160489853 425983847 /nfs/dbraw/zinc/98/38/47/425983847.db2.gz GPKBZGFOGVNGER-RDTXWAMCSA-N 0 3 321.417 2.756 20 70 DFIDHN CC[C@H](N[C@@H]1CCc2nc(C)nn2C1)c1ccccc1OC ZINC000160533157 425986285 /nfs/dbraw/zinc/98/62/85/425986285.db2.gz PUICGIPBTFFQKT-HIFRSBDPSA-N 0 3 300.406 2.651 20 70 DFIDHN C[C@@H](NCC(=O)NCC(F)(F)F)c1ccc2c(c1)CCC2 ZINC000160543775 425986664 /nfs/dbraw/zinc/98/66/64/425986664.db2.gz OTHSZKQIHAMHBW-SNVBAGLBSA-N 0 3 300.324 2.504 20 70 DFIDHN COCCNCC(=O)N(CC1CCC1)[C@H](C)c1ccccc1 ZINC000160530413 425986843 /nfs/dbraw/zinc/98/68/43/425986843.db2.gz TXDHVLKNDNQTNU-OAHLLOKOSA-N 0 3 304.434 2.612 20 70 DFIDHN COc1cc(CN[C@H]2CCOC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000160557178 425987324 /nfs/dbraw/zinc/98/73/24/425987324.db2.gz SNIFHQDGQHRVOY-LBPRGKRZSA-N 0 3 324.377 2.659 20 70 DFIDHN CC(C)[C@H](O)CC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000160811581 425996249 /nfs/dbraw/zinc/99/62/49/425996249.db2.gz PQEHOUBPWXNWSM-VBQJREDUSA-N 0 3 324.490 2.654 20 70 DFIDHN CCCCNC(=O)[C@H](C)N[C@H](C)c1ccccc1-n1cccn1 ZINC000160790852 425996374 /nfs/dbraw/zinc/99/63/74/425996374.db2.gz NUJOISNCBAYQCO-CABCVRRESA-N 0 3 314.433 2.828 20 70 DFIDHN C[C@H](CN[C@@H]1CCCc2c1cnn2C)N(C)Cc1ccccc1 ZINC000160893912 426000298 /nfs/dbraw/zinc/00/02/98/426000298.db2.gz AYCPYLROKHEHHB-CRAIPNDOSA-N 0 3 312.461 2.908 20 70 DFIDHN CSCC[C@@H](N)C(=O)N(Cc1ccc(F)cc1)CC1CC1 ZINC000160911127 426001514 /nfs/dbraw/zinc/00/15/14/426001514.db2.gz MNSMQCMNMBEYAF-OAHLLOKOSA-N 0 3 310.438 2.645 20 70 DFIDHN O=[N+]([O-])c1ccc(OCCN2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160964107 426002952 /nfs/dbraw/zinc/00/29/52/426002952.db2.gz VTJPNLIZZDOSQQ-RHSMWYFYSA-N 0 3 320.389 2.601 20 70 DFIDHN O=[N+]([O-])c1ccc(OCCN2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160964250 426003127 /nfs/dbraw/zinc/00/31/27/426003127.db2.gz VTJPNLIZZDOSQQ-PBHICJAKSA-N 0 3 320.389 2.601 20 70 DFIDHN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1cnc(-c2cccs2)s1 ZINC000159624728 425964027 /nfs/dbraw/zinc/96/40/27/425964027.db2.gz VDLOMKIENIERQO-GHMZBOCLSA-N 0 3 321.471 2.957 20 70 DFIDHN COc1ccc2oc(CN3C[C@H](C(N)=O)CC[C@H]3C)cc2c1 ZINC000159704137 425965442 /nfs/dbraw/zinc/96/54/42/425965442.db2.gz CJAPJXDYHDGSMQ-VXGBXAGGSA-N 0 3 302.374 2.527 20 70 DFIDHN Cc1ccc(C(=O)CCN2CC[C@H](Cc3cnn(C)c3)C2)cc1 ZINC000159959007 425971332 /nfs/dbraw/zinc/97/13/32/425971332.db2.gz SSVLEFHBIQMROF-MRXNPFEDSA-N 0 3 311.429 2.866 20 70 DFIDHN CC(C)N(CCc1nccs1)C[C@@H](O)COCc1ccco1 ZINC000159950865 425971948 /nfs/dbraw/zinc/97/19/48/425971948.db2.gz KNWGDZYRSATWRI-CQSZACIVSA-N 0 3 324.446 2.567 20 70 DFIDHN COc1cc(NC(=O)C(C#N)c2nc(C)cs2)cc(OC)c1 ZINC000160149737 425975353 /nfs/dbraw/zinc/97/53/53/425975353.db2.gz JXSLXZVEWREFSY-CYBMUJFWSA-N 0 3 317.370 2.715 20 70 DFIDHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1coc(-c2ccccc2)n1 ZINC000160269265 425977629 /nfs/dbraw/zinc/97/76/29/425977629.db2.gz IFWQASKZBDOENS-DZGCQCFKSA-N 0 3 311.385 2.650 20 70 DFIDHN CC(=O)NC1CCC(Nc2ccc(C)cc2CN(C)C)CC1 ZINC000161177787 426011217 /nfs/dbraw/zinc/01/12/17/426011217.db2.gz DNRCDFABSMMOTB-UHFFFAOYSA-N 0 3 303.450 2.916 20 70 DFIDHN CCN1CCCC[C@@H]1CN[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000161210702 426013831 /nfs/dbraw/zinc/01/38/31/426013831.db2.gz VWUSWCYVZDIDBF-GOEBONIOSA-N 0 3 324.490 2.615 20 70 DFIDHN N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000161259269 426015722 /nfs/dbraw/zinc/01/57/22/426015722.db2.gz WEOBXUNHZWKYQJ-RTBURBONSA-N 0 3 308.425 2.694 20 70 DFIDHN CC(C)N(C)CC(=O)N(Cc1ccccc1)CC1(O)CCCC1 ZINC000161260342 426015867 /nfs/dbraw/zinc/01/58/67/426015867.db2.gz CSGVDCWDTGIPAE-UHFFFAOYSA-N 0 3 318.461 2.661 20 70 DFIDHN CC(C)(C)C(=O)N1CCC(CN2CCOC3(CCC3)C2)CC1 ZINC000161312552 426018406 /nfs/dbraw/zinc/01/84/06/426018406.db2.gz REHPYUWTTORNOR-UHFFFAOYSA-N 0 3 308.466 2.526 20 70 DFIDHN CC(C)[C@H](O)CC(=O)N1CCc2c1cccc2CN1CCCC1 ZINC000161345555 426019730 /nfs/dbraw/zinc/01/97/30/426019730.db2.gz XNSJBAMXVYPIRF-GOSISDBHSA-N 0 3 316.445 2.579 20 70 DFIDHN CCC[C@@H](C(=O)N(C)Cc1ccccc1N1CCCC1)N(C)C ZINC000161330046 426020387 /nfs/dbraw/zinc/02/03/87/426020387.db2.gz YROVWDFGYSJCGL-SFHVURJKSA-N 0 3 317.477 2.976 20 70 DFIDHN CC[C@H](C)OCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000161347064 426020394 /nfs/dbraw/zinc/02/03/94/426020394.db2.gz DBZZYOWNKRMXHZ-BQFCYCMXSA-N 0 3 318.461 2.828 20 70 DFIDHN C[C@H](NCc1cc[nH]n1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218177209 426566292 /nfs/dbraw/zinc/56/62/92/426566292.db2.gz LNHRVRYAKFAROO-QWHCGFSZSA-N 0 3 308.426 2.535 20 70 DFIDHN CC(C)[C@@H](C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)N(C)C ZINC000159905017 273542609 /nfs/dbraw/zinc/54/26/09/273542609.db2.gz PSBJPSODEYEIMV-HOCLYGCPSA-N 0 3 304.434 2.991 20 70 DFIDHN CCN1CCCN(C(=O)N[C@@H]2CCc3c2cccc3F)CC1 ZINC000159744802 276162032 /nfs/dbraw/zinc/16/20/32/276162032.db2.gz SIEDDCJBCOWJDJ-MRXNPFEDSA-N 0 3 305.397 2.550 20 70 DFIDHN CCOCCN1CCN(CC#Cc2ccc(F)cc2)C[C@H]1CC ZINC000159929605 276322189 /nfs/dbraw/zinc/32/21/89/276322189.db2.gz PFTOLGKPUIGMEM-LJQANCHMSA-N 0 3 318.436 2.610 20 70 DFIDHN Cc1cccc(CN2CCCC[C@H]2CCNS(C)(=O)=O)c1C ZINC000159409537 295376609 /nfs/dbraw/zinc/37/66/09/295376609.db2.gz BIEXEKBJNOTLOX-KRWDZBQOSA-N 0 3 324.490 2.597 20 70 DFIDHN Cc1ccc([C@@H](CNC(=O)[C@H]2OCC[C@H]2C)N2CCCC2)cc1 ZINC000159572125 295378713 /nfs/dbraw/zinc/37/87/13/295378713.db2.gz DJBOTEIJDCUDAD-NXHRZFHOSA-N 0 3 316.445 2.673 20 70 DFIDHN Cc1noc(C)c1[C@@H](C)CNC(=O)N[C@H](C)CN1CCCCC1 ZINC000159613247 295379171 /nfs/dbraw/zinc/37/91/71/295379171.db2.gz OODZMNFODJBJCK-QWHCGFSZSA-N 0 3 322.453 2.569 20 70 DFIDHN O=C(CN1CC[C@@H]2CCCC[C@@H]21)N1CCC(c2ccccc2)=N1 ZINC000159626457 295379429 /nfs/dbraw/zinc/37/94/29/295379429.db2.gz PCHXCQVUJGAIHV-WMZOPIPTSA-N 0 3 311.429 2.888 20 70 DFIDHN CCC(CC)(CNCC(=O)Nc1ccc(C)c(F)c1)C(=O)OC ZINC000159677134 295380224 /nfs/dbraw/zinc/38/02/24/295380224.db2.gz JFQICWIIGWCUHP-UHFFFAOYSA-N 0 3 324.396 2.642 20 70 DFIDHN COCc1ccc(CNC(=O)CN2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000159731536 295381121 /nfs/dbraw/zinc/38/11/21/295381121.db2.gz JFGKMZUEKXNIPR-ROUUACIJSA-N 0 3 316.445 2.714 20 70 DFIDHN CCN1CCCC[C@H]1CNC(=O)c1coc(-c2ccccc2)n1 ZINC000159770082 295381545 /nfs/dbraw/zinc/38/15/45/295381545.db2.gz FBZVCYJJFKACEM-HNNXBMFYSA-N 0 3 313.401 2.946 20 70 DFIDHN CN(C)C[C@H]1CN(Cc2ncc(-c3ccccc3)s2)CCO1 ZINC000160014167 295385340 /nfs/dbraw/zinc/38/53/40/295385340.db2.gz ZCWYMKCDCLHKIX-HNNXBMFYSA-N 0 3 317.458 2.573 20 70 DFIDHN CCN(CC)C(=O)C[C@H](C)NCCOc1ccc(F)cc1F ZINC000160090712 295386337 /nfs/dbraw/zinc/38/63/37/295386337.db2.gz LOZCSNOJTZATEC-LBPRGKRZSA-N 0 3 314.376 2.580 20 70 DFIDHN Cc1nc(CNc2ccc(OC3CCN(C)CC3)nc2)cs1 ZINC000160140937 295386955 /nfs/dbraw/zinc/38/69/55/295386955.db2.gz HYAUVXNWMNDWFM-UHFFFAOYSA-N 0 3 318.446 2.932 20 70 DFIDHN CC[C@@H](c1ccccc1)S(=O)(=O)C(C)C(=O)NCC(C)C ZINC000160436712 295390995 /nfs/dbraw/zinc/39/09/95/295390995.db2.gz WIQLEZYMYDDTOB-ZFWWWQNUSA-N 0 3 311.447 2.713 20 70 DFIDHN CN(CCN1CCCC1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000160693372 338562379 /nfs/dbraw/zinc/56/23/79/338562379.db2.gz FJAVUYWLFOYLLG-QGZVFWFLSA-N 0 3 314.433 2.769 20 70 DFIDHN CC(C)NC(=O)CN[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000160986307 519708744 /nfs/dbraw/zinc/70/87/44/519708744.db2.gz UEDUYLJVRKMQHS-HNNXBMFYSA-N 0 3 303.450 2.852 20 70 DFIDHN CC(C)[C@H](O)CC(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000160811843 519822706 /nfs/dbraw/zinc/82/27/06/519822706.db2.gz PQEHOUBPWXNWSM-CPUCHLNUSA-N 0 3 324.490 2.654 20 70 DFIDHN CCC1(CO)CCN(CCN(C)Cc2ccc(F)cc2)CC1 ZINC000161305040 519843894 /nfs/dbraw/zinc/84/38/94/519843894.db2.gz PLESLTCDCUYIQE-UHFFFAOYSA-N 0 3 308.441 2.742 20 70 DFIDHN CCN(CCOCC1CC1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000160468028 521141644 /nfs/dbraw/zinc/14/16/44/521141644.db2.gz MHTWTVBTIQISQW-UHFFFAOYSA-N 0 3 304.434 2.637 20 70 DFIDHN COc1cc([O-])c(C[N@H+](C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1OC ZINC000160284534 522774503 /nfs/dbraw/zinc/77/45/03/522774503.db2.gz KPGUFPXTCAWJBU-VUCTXSBTSA-N 0 3 321.417 2.655 20 70 DFIDHN COc1cc([O-])c(C[N@@H+](C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1OC ZINC000160284534 522774507 /nfs/dbraw/zinc/77/45/07/522774507.db2.gz KPGUFPXTCAWJBU-VUCTXSBTSA-N 0 3 321.417 2.655 20 70 DFIDHN NC(=O)CC1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000159731551 526861836 /nfs/dbraw/zinc/86/18/36/526861836.db2.gz AZSPKFGKDMMZPF-UHFFFAOYSA-N 0 3 315.461 2.764 20 70 DFIDHN Cc1nc2n(n1)C[C@H](N[C@H]1CSCCc3ccccc31)CC2 ZINC000160519361 282127993 /nfs/dbraw/zinc/12/79/93/282127993.db2.gz HUIISCNEXTVNCF-ZBFHGGJFSA-N 0 3 314.458 2.522 20 70 DFIDHN c1nn(-c2ccccc2)cc1CN[C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159549841 186126407 /nfs/dbraw/zinc/12/64/07/186126407.db2.gz KRIQRBATXYPSKJ-BZSNNMDCSA-N 0 3 309.413 2.920 20 70 DFIDHN COc1ccc(CN[C@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1[N+](=O)[O-] ZINC000159589051 186128967 /nfs/dbraw/zinc/12/89/67/186128967.db2.gz BVRYZDPIBVEMKC-KCXAZCMYSA-N 0 3 318.373 2.651 20 70 DFIDHN COc1ccc(CN[C@H]2[C@H]3CCO[C@@H]3C23CCC3)c(OC)c1 ZINC000159656401 186133570 /nfs/dbraw/zinc/13/35/70/186133570.db2.gz IQTXQCLJOSGGPD-PVAVHDDUSA-N 0 3 303.402 2.751 20 70 DFIDHN C[C@H](c1ccc(F)cc1)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159690255 186135694 /nfs/dbraw/zinc/13/56/94/186135694.db2.gz RSVMPBBCMCOARO-GFCCVEGCSA-N 0 3 319.336 2.589 20 70 DFIDHN Cc1ccc(C(=O)CCN2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000159696735 186136457 /nfs/dbraw/zinc/13/64/57/186136457.db2.gz VFEFWCFYTYCYIW-MRXNPFEDSA-N 0 3 312.417 2.572 20 70 DFIDHN CC(C)N1CCN(C(=O)c2cc(F)cc3cccnc32)CC1 ZINC000159719654 186137593 /nfs/dbraw/zinc/13/75/93/186137593.db2.gz NWKMAENCIBOBLD-UHFFFAOYSA-N 0 3 301.365 2.540 20 70 DFIDHN CC(C)N(CCN(C)C)C(=O)NCc1nc(C2CC2)cs1 ZINC000159732983 186137863 /nfs/dbraw/zinc/13/78/63/186137863.db2.gz CYLGVBBAYDDSLY-UHFFFAOYSA-N 0 3 310.467 2.502 20 70 DFIDHN O=C(CN1CC[C@@H]2CCCC[C@@H]21)NC(=O)Nc1ccccc1 ZINC000159604373 398964638 /nfs/dbraw/zinc/96/46/38/398964638.db2.gz HSSSXQVJCXSOBG-ZFWWWQNUSA-N 0 3 301.390 2.599 20 70 DFIDHN CCS(=O)(=O)c1ccc([C@H](C)NC[C@@H](O)C(C)(C)C)cc1 ZINC000159500410 398964847 /nfs/dbraw/zinc/96/48/47/398964847.db2.gz NDMSHMLEBZIISU-SWLSCSKDSA-N 0 3 313.463 2.538 20 70 DFIDHN COc1ccccc1CNC(=O)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000159684856 398966118 /nfs/dbraw/zinc/96/61/18/398966118.db2.gz AFLHFOKRRNRVSO-HOCLYGCPSA-N 0 3 302.418 2.576 20 70 DFIDHN CCS(=O)(=O)c1ccc([C@H](C)NC[C@H](O)C(C)(C)C)cc1 ZINC000159500130 398965128 /nfs/dbraw/zinc/96/51/28/398965128.db2.gz NDMSHMLEBZIISU-WFASDCNBSA-N 0 3 313.463 2.538 20 70 DFIDHN CCC(CC)(CO)CNC(=O)Nc1cccc(CN(C)C)c1 ZINC000160649765 197428516 /nfs/dbraw/zinc/42/85/16/197428516.db2.gz JASSCZOKBZCPQC-UHFFFAOYSA-N 0 3 307.438 2.668 20 70 DFIDHN CCOc1ccc([C@@H](C)N[C@@H]2CCc3nc(C)nn3C2)cc1 ZINC000160554476 197421498 /nfs/dbraw/zinc/42/14/98/197421498.db2.gz DKYKXHQJLWACMU-IUODEOHRSA-N 0 3 300.406 2.651 20 70 DFIDHN Fc1cc(F)cc(CNC[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC000160277176 197397505 /nfs/dbraw/zinc/39/75/05/197397505.db2.gz NIWBQVNPYCWDIN-SNVBAGLBSA-N 0 3 308.294 2.939 20 70 DFIDHN CCN(C)CCNC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000160149868 197389559 /nfs/dbraw/zinc/38/95/59/197389559.db2.gz QTDXAXUBBFPHCT-GFCCVEGCSA-N 0 3 316.367 2.952 20 70 DFIDHN COc1cccc(Cl)c1CC(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000160138517 197389251 /nfs/dbraw/zinc/38/92/51/197389251.db2.gz MYMVMTJDFMYUTM-OLZOCXBDSA-N 0 3 324.852 2.832 20 70 DFIDHN CC(C)OCCCN1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000160231957 197394022 /nfs/dbraw/zinc/39/40/22/197394022.db2.gz QGMZAIXAXWHHNU-MRXNPFEDSA-N 0 3 323.412 2.837 20 70 DFIDHN CCN1CCC[C@@H]1CN(C)C(=O)CCc1ccc(F)cc1F ZINC000160004484 197379523 /nfs/dbraw/zinc/37/95/23/197379523.db2.gz GWCJIYOWJRNKPX-OAHLLOKOSA-N 0 3 310.388 2.840 20 70 DFIDHN CCc1nc([C@H](C)NC(=O)N2CCCN(CC)CC2)cs1 ZINC000159849171 197368948 /nfs/dbraw/zinc/36/89/48/197368948.db2.gz PSMANIMOJXAVFP-LBPRGKRZSA-N 0 3 310.467 2.504 20 70 DFIDHN CCOc1cccc([C@@H](C)NC(=O)N2CCCN(CC)CC2)c1 ZINC000159777632 197363853 /nfs/dbraw/zinc/36/38/53/197363853.db2.gz CSSHTXKHVYAOOD-OAHLLOKOSA-N 0 3 319.449 2.884 20 70 DFIDHN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)[C@H](C)N ZINC000159455930 197354973 /nfs/dbraw/zinc/35/49/73/197354973.db2.gz ADIWSSFZJNTTQF-WDEREUQCSA-N 0 3 303.431 2.951 20 70 DFIDHN CCOc1cccc(CN[C@H](C)c2ccc(-n3cnnn3)cc2)c1 ZINC000159410759 197351583 /nfs/dbraw/zinc/35/15/83/197351583.db2.gz YEIWGBKXGCEIBG-CQSZACIVSA-N 0 3 323.400 2.912 20 70 DFIDHN COc1cc(NC(=O)CN2CC[C@@H]3CCCC[C@@H]32)cc(OC)c1 ZINC000159666725 542718839 /nfs/dbraw/zinc/71/88/39/542718839.db2.gz JIAGRMBYKFGMHJ-GUYCJALGSA-N 0 3 318.417 2.907 20 70 DFIDHN CN1CCN(C(C)(C)CNCc2ccc(Cl)cc2F)CC1 ZINC000160670858 542724843 /nfs/dbraw/zinc/72/48/43/542724843.db2.gz MNIJTJZCWWFVHJ-UHFFFAOYSA-N 0 3 313.848 2.595 20 70 DFIDHN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@H]1CCCCN1 ZINC000159451384 286018052 /nfs/dbraw/zinc/01/80/52/286018052.db2.gz JBLDMXWNOOBQAF-DFBGVHRSSA-N 0 3 310.825 2.674 20 70 DFIDHN CCC(CC)(CNCc1cncnc1)NC(=O)OC(C)(C)C ZINC000217698178 268138582 /nfs/dbraw/zinc/13/85/82/268138582.db2.gz UYTLESBFPMBBOE-UHFFFAOYSA-N 0 3 308.426 2.650 20 70 DFIDHN CCn1ccnc1CNCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000218213781 268139743 /nfs/dbraw/zinc/13/97/43/268139743.db2.gz MJHHMHPXGBRIKS-UHFFFAOYSA-N 0 3 322.453 2.640 20 70 DFIDHN C[C@H](CN1CCCCC1)NC(=O)c1c(F)cc(F)cc1F ZINC000160361213 425980399 /nfs/dbraw/zinc/98/03/99/425980399.db2.gz WEXVVNIUVHMLFN-SNVBAGLBSA-N 0 3 300.324 2.708 20 70 DFIDHN Cc1cccc(-c2cncc(C(=O)NC3CCN(C)CC3)c2)c1 ZINC000160420458 425981979 /nfs/dbraw/zinc/98/19/79/425981979.db2.gz OZEUQAPTKVXNKW-UHFFFAOYSA-N 0 3 309.413 2.881 20 70 DFIDHN COc1ccc(C)cc1[C@@H](C)N[C@H]1CCc2nc(C)nn2C1 ZINC000160423560 425982096 /nfs/dbraw/zinc/98/20/96/425982096.db2.gz WYQHQRLCQKZOPS-OCCSQVGLSA-N 0 3 300.406 2.569 20 70 DFIDHN CC(C)(C)c1ccccc1C(=O)NC[C@@H](O)CN1CCCCC1 ZINC000160461505 425983000 /nfs/dbraw/zinc/98/30/00/425983000.db2.gz VQAJHTQSFXBQKB-OAHLLOKOSA-N 0 3 318.461 2.561 20 70 DFIDHN C[C@H](CCC(=O)NCCCN1CCC(O)CC1)c1ccccc1 ZINC000160434382 425983060 /nfs/dbraw/zinc/98/30/60/425983060.db2.gz YUABCNHWMRMMKF-MRXNPFEDSA-N 0 3 318.461 2.533 20 70 DFIDHN CCc1nc(CN[C@H](C[C@@H]2CCOC2)c2ccccc2)n[nH]1 ZINC000160486647 425984617 /nfs/dbraw/zinc/98/46/17/425984617.db2.gz GJPBVNFYOPOROD-DZGCQCFKSA-N 0 3 300.406 2.625 20 70 DFIDHN CC1CCN(CCNC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)CC1 ZINC000160551974 425986264 /nfs/dbraw/zinc/98/62/64/425986264.db2.gz BONFGTCFQUTGGR-GOEBONIOSA-N 0 3 322.399 2.916 20 70 DFIDHN CCc1ccc([C@@H](CC)NCC(=O)NCC(F)(F)F)cc1 ZINC000160564062 425987444 /nfs/dbraw/zinc/98/74/44/425987444.db2.gz LRVQWQGTTSBKCA-CYBMUJFWSA-N 0 3 302.340 2.968 20 70 DFIDHN O=C(NCCN1CCCCC1)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000160569134 425987562 /nfs/dbraw/zinc/98/75/62/425987562.db2.gz NTXHINVBIMCARE-UONOGXRCSA-N 0 3 308.372 2.670 20 70 DFIDHN O=C(NCCN1CCCCC1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000160569780 425987598 /nfs/dbraw/zinc/98/75/98/425987598.db2.gz HWDAYGUKLFTVBE-HIFRSBDPSA-N 0 3 308.372 2.670 20 70 DFIDHN C[C@H](CC(=O)NCCN(C)C)c1ccc(Br)cc1 ZINC000160559146 425987848 /nfs/dbraw/zinc/98/78/48/425987848.db2.gz MSGBTVUNWCYQID-LLVKDONJSA-N 0 3 313.239 2.621 20 70 DFIDHN CN(C)[C@@H]1CCCN(C(=O)N[C@H](CCC#N)c2ccccc2)C1 ZINC000160599856 425988395 /nfs/dbraw/zinc/98/83/95/425988395.db2.gz UPZSKGDNTBPFQY-IAGOWNOFSA-N 0 3 314.433 2.767 20 70 DFIDHN CCCc1cc(N2CCS(=O)(=O)[C@@H](C)C2)c2ccccc2n1 ZINC000160718826 425993660 /nfs/dbraw/zinc/99/36/60/425993660.db2.gz AODIKBPSWKVZSR-ZDUSSCGKSA-N 0 3 318.442 2.811 20 70 DFIDHN CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160930382 426001713 /nfs/dbraw/zinc/00/17/13/426001713.db2.gz NWGYDUNJCDLYRP-DODZYUBVSA-N 0 3 322.493 2.793 20 70 DFIDHN C[C@H](N[C@@H]1CCN(C(=O)C2CCCCC2)C1)c1ccccn1 ZINC000159380981 425959676 /nfs/dbraw/zinc/95/96/76/425959676.db2.gz QAMKHPJSIBQMIF-GOEBONIOSA-N 0 3 301.434 2.913 20 70 DFIDHN C[C@H]1CN(CCOc2ccc(Br)cc2)CC[C@@H]1O ZINC000159441287 425960127 /nfs/dbraw/zinc/96/01/27/425960127.db2.gz VOFPBFXPSORQKD-FZMZJTMJSA-N 0 3 314.223 2.531 20 70 DFIDHN CCC[C@@H](N)C(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000159616034 425963932 /nfs/dbraw/zinc/96/39/32/425963932.db2.gz SYSZCIUPEHPDCT-JOYOIKCWSA-N 0 3 322.796 2.695 20 70 DFIDHN CC[C@@H]1CN(CC2CCN(C(=O)C(C)(C)C)CC2)C[C@H](C)O1 ZINC000159616874 425963983 /nfs/dbraw/zinc/96/39/83/425963983.db2.gz XBQHPMVVKSKWGH-GOEBONIOSA-N 0 3 310.482 2.770 20 70 DFIDHN CN(Cc1ccnc(-c2ccc(F)cc2)n1)C[C@H]1CCC[C@@H]1O ZINC000159625257 425964814 /nfs/dbraw/zinc/96/48/14/425964814.db2.gz YGENYFWEPNKEMX-PBHICJAKSA-N 0 3 315.392 2.876 20 70 DFIDHN Cc1cncc(/C=C/C(=O)NC[C@H](c2ccccc2)N(C)C)c1 ZINC000159703893 425965483 /nfs/dbraw/zinc/96/54/83/425965483.db2.gz WPONYATYMRRRKF-QZEKMECESA-N 0 3 309.413 2.822 20 70 DFIDHN Fc1cc(F)c2nccc(N3CC[C@H](N4CC=CC4)C3)c2c1 ZINC000159661468 425965568 /nfs/dbraw/zinc/96/55/68/425965568.db2.gz MVFHRPDIQBPWHX-ZDUSSCGKSA-N 0 3 301.340 2.964 20 70 DFIDHN Fc1cc(F)c2nccc(N3CC[C@@H](N4CC=CC4)C3)c2c1 ZINC000159661615 425965796 /nfs/dbraw/zinc/96/57/96/425965796.db2.gz MVFHRPDIQBPWHX-CYBMUJFWSA-N 0 3 301.340 2.964 20 70 DFIDHN CCN1CCCN(C(=O)NCCc2ccc(C)cc2C)CC1 ZINC000159763241 425967982 /nfs/dbraw/zinc/96/79/82/425967982.db2.gz GIGWZSAPAQCUEH-UHFFFAOYSA-N 0 3 303.450 2.583 20 70 DFIDHN CCS[C@H]1CCCC[C@H]1NC(=O)N1CCCN(CC)CC1 ZINC000159954599 425971542 /nfs/dbraw/zinc/97/15/42/425971542.db2.gz WJLAIFYYIAYTFG-CABCVRRESA-N 0 3 313.511 2.788 20 70 DFIDHN Cn1ccnc1CC1CCN(CC#Cc2ccc(F)cc2)CC1 ZINC000159966942 425971552 /nfs/dbraw/zinc/97/15/52/425971552.db2.gz NOLGSJCNTMXAHJ-UHFFFAOYSA-N 0 3 311.404 2.865 20 70 DFIDHN CN(C)Cc1ccc(C(=O)Nc2cnn(C(C)(C)C)c2)cc1 ZINC000161481527 426025778 /nfs/dbraw/zinc/02/57/78/426025778.db2.gz AUQSBJQYGFIEBI-UHFFFAOYSA-N 0 3 300.406 2.952 20 70 DFIDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)C1(CCOC)CC1 ZINC000161495933 426026607 /nfs/dbraw/zinc/02/66/07/426026607.db2.gz GCCSMBIHDULEJO-UHFFFAOYSA-N 0 3 318.461 2.913 20 70 DFIDHN CN(Cc1ccccc1)CC(C)(C)NCc1noc(C2CC2)n1 ZINC000161052826 426006708 /nfs/dbraw/zinc/00/67/08/426006708.db2.gz CLGISUKAPDCFLL-UHFFFAOYSA-N 0 3 314.433 2.947 20 70 DFIDHN CCn1cnnc1[C@@H]1CCCN(CCOc2cccc(F)c2)C1 ZINC000161268037 426016304 /nfs/dbraw/zinc/01/63/04/426016304.db2.gz LEYHJQVNUOFJHY-CQSZACIVSA-N 0 3 318.396 2.696 20 70 DFIDHN CCCN(C)c1ccc(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)cc1 ZINC000161398267 426021636 /nfs/dbraw/zinc/02/16/36/426021636.db2.gz BBKHJHZCLQHHFA-MAUKXSAKSA-N 0 3 317.477 2.991 20 70 DFIDHN C[C@H](Cc1ccc(Br)cc1)NCc1ccn(C)n1 ZINC000218152678 426566052 /nfs/dbraw/zinc/56/60/52/426566052.db2.gz IUQKRZKWGXCOHV-LLVKDONJSA-N 0 3 308.223 2.903 20 70 DFIDHN COCCN(CCNCc1ccsc1)C(=O)OC(C)(C)C ZINC000218137227 426566746 /nfs/dbraw/zinc/56/67/46/426566746.db2.gz OOOKNZJRKJTPLV-UHFFFAOYSA-N 0 3 314.451 2.721 20 70 DFIDHN CCN1CCCN(C(=O)N[C@H]2CCc3c2cccc3F)CC1 ZINC000159744931 276162294 /nfs/dbraw/zinc/16/22/94/276162294.db2.gz SIEDDCJBCOWJDJ-INIZCTEOSA-N 0 3 305.397 2.550 20 70 DFIDHN CC(C)c1ccc(CN2C[C@@H](C(N)=O)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000159605123 278036753 /nfs/dbraw/zinc/03/67/53/278036753.db2.gz KAXZVXFYBQVIQO-OCCSQVGLSA-N 0 3 319.405 2.804 20 70 DFIDHN CCN1CCCN(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000159578760 279285730 /nfs/dbraw/zinc/28/57/30/279285730.db2.gz BZFKFABIICSKEJ-QWHCGFSZSA-N 0 3 321.387 2.845 20 70 DFIDHN C[C@H](N[C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccccn1 ZINC000159361018 295375795 /nfs/dbraw/zinc/37/57/95/295375795.db2.gz HIPDXQBKQFRQDG-FUHWJXTLSA-N 0 3 323.440 2.966 20 70 DFIDHN O=c1[nH]c2ccccc2cc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159676437 295380235 /nfs/dbraw/zinc/38/02/35/295380235.db2.gz LDHZOPISOQHOER-UAGQMJEPSA-N 0 3 310.397 2.988 20 70 DFIDHN C[C@H](CN1CCCCC1)NC(=O)N1CCc2cccc(F)c2C1 ZINC000159726042 295380614 /nfs/dbraw/zinc/38/06/14/295380614.db2.gz IIZORZHZIKTETD-CQSZACIVSA-N 0 3 319.424 2.768 20 70 DFIDHN CN(C)Cc1ccc(C(=O)N(C)Cc2cccc(C#N)c2)cc1 ZINC000159869304 295383071 /nfs/dbraw/zinc/38/30/71/295383071.db2.gz VHWOZTKHGLGEAS-UHFFFAOYSA-N 0 3 307.397 2.892 20 70 DFIDHN CCOCCN(CC)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000160085611 295386101 /nfs/dbraw/zinc/38/61/01/295386101.db2.gz XUCKNZWBBURVPH-HNNXBMFYSA-N 0 3 319.367 2.967 20 70 DFIDHN CN1CC[C@@H](CNC(=O)c2occc2-c2ccc(F)cc2)C1 ZINC000160106320 295386592 /nfs/dbraw/zinc/38/65/92/295386592.db2.gz PZAZRVALBABJKE-LBPRGKRZSA-N 0 3 302.349 2.767 20 70 DFIDHN CC[C@@H](c1ccccc1)S(=O)(=O)C(C)C(=O)NC(C)(C)C ZINC000160444608 295391304 /nfs/dbraw/zinc/39/13/04/295391304.db2.gz DOTANOZDPATXRQ-OCCSQVGLSA-N 0 3 311.447 2.856 20 70 DFIDHN C[C@H](Cc1ccc(O)cc1)N(C)C(=O)CN1CCC(C)CC1 ZINC000160458949 295391563 /nfs/dbraw/zinc/39/15/63/295391563.db2.gz RYRYESDBFAMOMM-OAHLLOKOSA-N 0 3 304.434 2.514 20 70 DFIDHN C[C@H]1CCc2c(F)cccc2[C@@H]1NCC(=O)NCC(F)(F)F ZINC000160527779 295392518 /nfs/dbraw/zinc/39/25/18/295392518.db2.gz CQJHACJNMUDTCN-LKFCYVNXSA-N 0 3 318.314 2.717 20 70 DFIDHN Cc1cccc2[nH]c(CNC(=O)c3ccc(CN(C)C)cc3)nc21 ZINC000160559152 295393112 /nfs/dbraw/zinc/39/31/12/295393112.db2.gz ZVCSKDCZVHPMSO-UHFFFAOYSA-N 0 3 322.412 2.863 20 70 DFIDHN Cc1cccc2nc(CNC(=O)c3ccc(CN(C)C)cc3)[nH]c21 ZINC000160559152 295393114 /nfs/dbraw/zinc/39/31/14/295393114.db2.gz ZVCSKDCZVHPMSO-UHFFFAOYSA-N 0 3 322.412 2.863 20 70 DFIDHN Cc1cc(C)c([C@H](C)NCC(=O)NCC(F)(F)F)cc1C ZINC000160618475 295393864 /nfs/dbraw/zinc/39/38/64/295393864.db2.gz BPQDASWXZNXNGF-LBPRGKRZSA-N 0 3 302.340 2.941 20 70 DFIDHN Cc1[nH]nc(C(C)C)c1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000160923264 295396409 /nfs/dbraw/zinc/39/64/09/295396409.db2.gz YDQMBDCJPFFFTK-HNNXBMFYSA-N 0 3 314.433 2.874 20 70 DFIDHN Cc1n[nH]c(C(C)C)c1C(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000160923264 295396410 /nfs/dbraw/zinc/39/64/10/295396410.db2.gz YDQMBDCJPFFFTK-HNNXBMFYSA-N 0 3 314.433 2.874 20 70 DFIDHN CS[C@@H](C)CC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000161499958 295403690 /nfs/dbraw/zinc/40/36/90/295403690.db2.gz QGPFYPRYBDITSO-ZDUSSCGKSA-N 0 3 312.454 2.858 20 70 DFIDHN Cn1cc(C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000160448651 527177206 /nfs/dbraw/zinc/17/72/06/527177206.db2.gz ADTWUECBICGISP-UHFFFAOYSA-N 0 3 300.362 2.708 20 70 DFIDHN CC(C)CNC(=O)[C@@H](C)N[C@H](C)c1ccccc1-n1cccn1 ZINC000160832653 535164709 /nfs/dbraw/zinc/16/47/09/535164709.db2.gz HJZFJJVPRZGKBZ-HUUCEWRRSA-N 0 3 314.433 2.684 20 70 DFIDHN c1nn(-c2ccccc2)cc1CN[C@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159550149 186126325 /nfs/dbraw/zinc/12/63/25/186126325.db2.gz KRIQRBATXYPSKJ-SQNIBIBYSA-N 0 3 309.413 2.920 20 70 DFIDHN CCN1CCCN(C(=O)NCc2ccc(OC(C)C)cc2)CC1 ZINC000159592344 186129681 /nfs/dbraw/zinc/12/96/81/186129681.db2.gz KQWJKPVYFKPHOV-UHFFFAOYSA-N 0 3 319.449 2.711 20 70 DFIDHN CN(C)[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)C1 ZINC000160486057 398970299 /nfs/dbraw/zinc/97/02/99/398970299.db2.gz XYXDGQGBWBWGNP-KZNAEPCWSA-N 0 3 315.461 2.743 20 70 DFIDHN COc1ccccc1CN(C)C(=O)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000160562407 398971551 /nfs/dbraw/zinc/97/15/51/398971551.db2.gz ASWQEIUWEBWLHL-RDJZCZTQSA-N 0 3 316.445 2.918 20 70 DFIDHN CCN(CCCCS(C)(=O)=O)[C@@H](C)c1ccc(C#N)cc1 ZINC000161475900 398977177 /nfs/dbraw/zinc/97/71/77/398977177.db2.gz UNACUVXAQSGWNR-AWEZNQCLSA-N 0 3 308.447 2.766 20 70 DFIDHN Cc1nc2n(n1)C[C@H](N[C@@H]1CSCCc3ccccc31)CC2 ZINC000160519117 197418453 /nfs/dbraw/zinc/41/84/53/197418453.db2.gz HUIISCNEXTVNCF-GDBMZVCRSA-N 0 3 314.458 2.522 20 70 DFIDHN CC[C@@H](C)CN(CC)[C@@H](C)C(=O)Nc1cccc(C(=O)NC)c1 ZINC000160581706 197423451 /nfs/dbraw/zinc/42/34/51/197423451.db2.gz VSFDOOGUJNKNCY-KGLIPLIRSA-N 0 3 319.449 2.741 20 70 DFIDHN Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1cccc(OC(F)F)c1)CC2 ZINC000160419822 197409560 /nfs/dbraw/zinc/40/95/60/197409560.db2.gz NVUXVCRGEYBJOO-GWCFXTLKSA-N 0 3 322.359 2.854 20 70 DFIDHN CC(C)Cc1ccc(C(=O)CCC(=O)N2CCC[C@H]2CN)cc1 ZINC000160279433 197397838 /nfs/dbraw/zinc/39/78/38/197397838.db2.gz LVCDRVKYAORPDI-KRWDZBQOSA-N 0 3 316.445 2.798 20 70 DFIDHN CCN(C)CCNC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000160149733 197388751 /nfs/dbraw/zinc/38/87/51/197388751.db2.gz QTDXAXUBBFPHCT-LBPRGKRZSA-N 0 3 316.367 2.952 20 70 DFIDHN CC[C@H]1CN(CC#Cc2cccc(Cl)c2)CCN1CCOC ZINC000159928294 197374261 /nfs/dbraw/zinc/37/42/61/197374261.db2.gz PXSUVKLKRNDALG-SFHVURJKSA-N 0 3 320.864 2.734 20 70 DFIDHN CC[C@H](NC[C@H](C)N1CCc2sccc2C1)c1cnn(C)c1 ZINC000159848916 197368427 /nfs/dbraw/zinc/36/84/27/197368427.db2.gz TYVMOXRJUXZAIT-BBRMVZONSA-N 0 3 318.490 2.969 20 70 DFIDHN Cc1cc(NC(=O)C2(N)CCCCC2)ccc1C(=O)NC(C)C ZINC000159497800 197358085 /nfs/dbraw/zinc/35/80/85/197358085.db2.gz YCIXSNSVNXAJFQ-UHFFFAOYSA-N 0 3 317.433 2.733 20 70 DFIDHN COCCN(C)CCN[C@@H](C)c1ccc(SC)c(OC)c1 ZINC000159397662 197351019 /nfs/dbraw/zinc/35/10/19/197351019.db2.gz LLDWZDHACAGASA-ZDUSSCGKSA-N 0 3 312.479 2.646 20 70 DFIDHN C#CCCCCNC(=O)NCCCN(C)Cc1ccccc1 ZINC000159369627 197348483 /nfs/dbraw/zinc/34/84/83/197348483.db2.gz LVIZGQIJWDSKPI-UHFFFAOYSA-N 0 3 301.434 2.611 20 70 DFIDHN Cc1ccc(C(=O)CCN2CCN(c3ccncc3)CC2)cc1 ZINC000160180092 542722175 /nfs/dbraw/zinc/72/21/75/542722175.db2.gz UVAYSZCJYQLVIF-UHFFFAOYSA-N 0 3 309.413 2.785 20 70 DFIDHN C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCC[C@@H](C)C1 ZINC000218674347 542878935 /nfs/dbraw/zinc/87/89/35/542878935.db2.gz LNBCLTIOLNBQQJ-IIAWOOMASA-N 0 3 302.418 2.747 20 70 DFIDHN CC(=O)N1CC[C@H](N[C@H](C)c2cccc(Br)c2)C1 ZINC000159815407 267531904 /nfs/dbraw/zinc/53/19/04/267531904.db2.gz YCZZNFLWZWRVDW-YGRLFVJLSA-N 0 3 311.223 2.721 20 70 DFIDHN C[C@H](NCc1ccccc1CN1CCOCC1)c1cncs1 ZINC000160449493 425983444 /nfs/dbraw/zinc/98/34/44/425983444.db2.gz CMWBMIHQEKEQNA-AWEZNQCLSA-N 0 3 317.458 2.826 20 70 DFIDHN Cc1nc2n(n1)C[C@H](N[C@@H](C)c1cnc3ccsc3c1)CC2 ZINC000160507532 425985450 /nfs/dbraw/zinc/98/54/50/425985450.db2.gz ZLTPDOWZBRPDQL-GXFFZTMASA-N 0 3 313.430 2.862 20 70 DFIDHN COCCNCC(=O)N(CC1CCC1)[C@@H](C)c1ccccc1 ZINC000160530318 425986345 /nfs/dbraw/zinc/98/63/45/425986345.db2.gz TXDHVLKNDNQTNU-HNNXBMFYSA-N 0 3 304.434 2.612 20 70 DFIDHN CC[C@@H](N[C@H]1CCc2nc(C)nn2C1)c1ccccc1OC ZINC000160533541 425986458 /nfs/dbraw/zinc/98/64/58/425986458.db2.gz PUICGIPBTFFQKT-DZGCQCFKSA-N 0 3 300.406 2.651 20 70 DFIDHN CC1CCN(CCNC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)CC1 ZINC000160552084 425986803 /nfs/dbraw/zinc/98/68/03/425986803.db2.gz BONFGTCFQUTGGR-HOCLYGCPSA-N 0 3 322.399 2.916 20 70 DFIDHN CC(C)(O)CN[C@@H]1CCc2c1cc(Br)cc2F ZINC000160597216 425988309 /nfs/dbraw/zinc/98/83/09/425988309.db2.gz JSGSSUIATQMFFC-GFCCVEGCSA-N 0 3 302.187 2.936 20 70 DFIDHN N#CCC[C@H](NC(=O)N1CC[C@@H](N2CC=CC2)C1)c1ccccc1 ZINC000160719525 425993262 /nfs/dbraw/zinc/99/32/62/425993262.db2.gz MAQVBIWHLOEBSW-MSOLQXFVSA-N 0 3 324.428 2.687 20 70 DFIDHN Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CCCNCC1 ZINC000160855931 425999533 /nfs/dbraw/zinc/99/95/33/425999533.db2.gz HYZIEECJZNLGLJ-OAHLLOKOSA-N 0 3 303.450 2.887 20 70 DFIDHN CC(C)NC(=O)CN[C@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000160955723 426002789 /nfs/dbraw/zinc/00/27/89/426002789.db2.gz HQZIHWFTIGEURY-VXGBXAGGSA-N 0 3 305.447 2.903 20 70 DFIDHN CC[C@H](NCC(=O)NC(C)C)c1ccc(OC(F)F)cc1 ZINC000160985510 426004127 /nfs/dbraw/zinc/00/41/27/426004127.db2.gz VXPOOEGDBRIDIM-ZDUSSCGKSA-N 0 3 300.349 2.853 20 70 DFIDHN Cc1ccc(C(=O)CCN2CCC[C@@H](Cn3ccnn3)C2)cc1 ZINC000160987716 426004331 /nfs/dbraw/zinc/00/43/31/426004331.db2.gz QOSYQBHMJXBHAL-MRXNPFEDSA-N 0 3 312.417 2.572 20 70 DFIDHN CCOCCCN1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000159583503 425963161 /nfs/dbraw/zinc/96/31/61/425963161.db2.gz SZGRWDYJBZZFSO-UHFFFAOYSA-N 0 3 324.852 2.915 20 70 DFIDHN CCN(CC)[C@@H](CNCc1cn(C)nc1C)c1ccccc1 ZINC000159562863 425963372 /nfs/dbraw/zinc/96/33/72/425963372.db2.gz DRJLXBQWUHGTQK-SFHVURJKSA-N 0 3 300.450 2.901 20 70 DFIDHN CCCOc1cc(CN2C[C@@H](C(N)=O)CC[C@@H]2C)ccc1OC ZINC000159642821 425963875 /nfs/dbraw/zinc/96/38/75/425963875.db2.gz XPJJHPNVXVZZHU-ZFWWWQNUSA-N 0 3 320.433 2.570 20 70 DFIDHN CN1CCC(C(=O)NC[C@@H]2C[C@]23CCCc2ccccc23)CC1 ZINC000159636524 425964677 /nfs/dbraw/zinc/96/46/77/425964677.db2.gz PBNYKEWXJCFIRL-FXAWDEMLSA-N 0 3 312.457 2.739 20 70 DFIDHN COCCC1(CNC(=O)N(CCN(C)C)C(C)C)CCCC1 ZINC000159668061 425965429 /nfs/dbraw/zinc/96/54/29/425965429.db2.gz VZMNEOBLLNPEEJ-UHFFFAOYSA-N 0 3 313.486 2.565 20 70 DFIDHN CCOc1cccc(CCNC(=O)N(CCN(C)C)C(C)C)c1 ZINC000159793878 425967341 /nfs/dbraw/zinc/96/73/41/425967341.db2.gz GHXPRNPASBIHDF-UHFFFAOYSA-N 0 3 321.465 2.609 20 70 DFIDHN CCN1CCCN(C(=O)NCC(C)(C)c2ccccc2F)CC1 ZINC000159791701 425967367 /nfs/dbraw/zinc/96/73/67/425967367.db2.gz FTBSDPGZMSELRR-UHFFFAOYSA-N 0 3 321.440 2.841 20 70 DFIDHN CCN1CCCN(C(=O)NC[C@@H](C)c2cccc(C)c2)CC1 ZINC000159897028 425969854 /nfs/dbraw/zinc/96/98/54/425969854.db2.gz MPZMQECDSQSOBG-MRXNPFEDSA-N 0 3 303.450 2.836 20 70 DFIDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC1(C)CCC1 ZINC000159929651 425970142 /nfs/dbraw/zinc/97/01/42/425970142.db2.gz XHOCFTKLXMPDMG-ZBFHGGJFSA-N 0 3 301.434 2.749 20 70 DFIDHN CCN1CCCN(C(=O)N[C@H](c2ncc(C)s2)C2CC2)CC1 ZINC000159911668 425970403 /nfs/dbraw/zinc/97/04/03/425970403.db2.gz DOWVDXZCINPCLO-AWEZNQCLSA-N 0 3 322.478 2.640 20 70 DFIDHN CCN1CCCN(C(=O)NC[C@H](C)c2cccc(C)c2)CC1 ZINC000159897193 425970485 /nfs/dbraw/zinc/97/04/85/425970485.db2.gz MPZMQECDSQSOBG-INIZCTEOSA-N 0 3 303.450 2.836 20 70 DFIDHN CCS(=O)(=O)c1ccc(NCC2(N(C)C)CCCC2)cc1 ZINC000161033536 426005421 /nfs/dbraw/zinc/00/54/21/426005421.db2.gz BNYQTZHIOKBSFM-UHFFFAOYSA-N 0 3 310.463 2.767 20 70 DFIDHN CSCC[C@@H](N)C(=O)Nc1ccc2nn(C(C)C)cc2c1 ZINC000160069938 425974157 /nfs/dbraw/zinc/97/41/57/425974157.db2.gz FBIQDCRFDVYYAH-CYBMUJFWSA-N 0 3 306.435 2.636 20 70 DFIDHN O=C(NCCCO[C@H]1CCCc2ccccc21)[C@H]1CCCCN1 ZINC000160123716 425975819 /nfs/dbraw/zinc/97/58/19/425975819.db2.gz RBFWDJWNWYUIIO-MSOLQXFVSA-N 0 3 316.445 2.729 20 70 DFIDHN CC[C@H](N[C@H](CCO)CSC)c1ccc(OC)c(OC)c1 ZINC000160243738 425977733 /nfs/dbraw/zinc/97/77/33/425977733.db2.gz KHWHIOOTMKFVGU-KGLIPLIRSA-N 0 3 313.463 2.859 20 70 DFIDHN C#CCCCCNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000160310917 425977923 /nfs/dbraw/zinc/97/79/23/425977923.db2.gz BKBFNLLMQKACSQ-GOSISDBHSA-N 0 3 313.445 2.926 20 70 DFIDHN CCc1nc(C)c([C@H](C)N[C@H]2CCc3nc(C)nn3C2)s1 ZINC000160316172 425979284 /nfs/dbraw/zinc/97/92/84/425979284.db2.gz HPMBPQYNWUXGSB-CABZTGNLSA-N 0 3 305.451 2.579 20 70 DFIDHN CSCC[C@@H](N)C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000161247835 426014817 /nfs/dbraw/zinc/01/48/17/426014817.db2.gz GEKRJNOPTLMHTE-CORIIIEPSA-N 0 3 310.438 2.611 20 70 DFIDHN CC[C@H](C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C)c1c(C)noc1C ZINC000161274471 426015971 /nfs/dbraw/zinc/01/59/71/426015971.db2.gz BDBKJVDUEPPZRE-TUKIKUTGSA-N 0 3 307.438 2.630 20 70 DFIDHN Cc1ccc(CN[C@@H](C)Cn2cc(Br)cn2)cn1 ZINC000161292737 426017243 /nfs/dbraw/zinc/01/72/43/426017243.db2.gz BVYUPONDZDZWTG-NSHDSACASA-N 0 3 309.211 2.527 20 70 DFIDHN CC[C@@H](C)OCC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000161346931 426019861 /nfs/dbraw/zinc/01/98/61/426019861.db2.gz DBZZYOWNKRMXHZ-JZXOWHBKSA-N 0 3 318.461 2.828 20 70 DFIDHN CC(=O)NC1CCC(NCc2cc(-c3ccccc3)on2)CC1 ZINC000161396058 426021844 /nfs/dbraw/zinc/02/18/44/426021844.db2.gz YRLCAQDODFZYOH-UHFFFAOYSA-N 0 3 313.401 2.879 20 70 DFIDHN CSC[C@@](C)(O)CNCc1ccc(Br)c(F)c1 ZINC000217851901 426564574 /nfs/dbraw/zinc/56/45/74/426564574.db2.gz PSNKGDGNYVLSNC-LBPRGKRZSA-N 0 3 322.243 2.792 20 70 DFIDHN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1cccc(OC(F)(F)F)c1 ZINC000159666016 274313722 /nfs/dbraw/zinc/31/37/22/274313722.db2.gz NYPQIKPNHXGJPA-PWSUYJOCSA-N 0 3 316.323 2.671 20 70 DFIDHN CCN(C)CCNC(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000160146129 276070317 /nfs/dbraw/zinc/07/03/17/276070317.db2.gz RXVMJXUXDQXYHI-LBPRGKRZSA-N 0 3 316.367 2.952 20 70 DFIDHN CC[C@H](N[C@H]1CCc2nc(C)nn2C1)c1cccc([N+](=O)[O-])c1 ZINC000160494917 276593509 /nfs/dbraw/zinc/59/35/09/276593509.db2.gz PCXCOYCHSGDHNE-ZFWWWQNUSA-N 0 3 315.377 2.550 20 70 DFIDHN CCCCn1ncc(NC(=O)N[C@@H]2CCCN(CC)C2)c1C ZINC000159721175 295380695 /nfs/dbraw/zinc/38/06/95/295380695.db2.gz NCBCXOVUTXDOIZ-CQSZACIVSA-N 0 3 307.442 2.597 20 70 DFIDHN COc1ccc(CNC(=O)c2ccc(CN(C)C)cc2)cc1F ZINC000159905511 295383684 /nfs/dbraw/zinc/38/36/84/295383684.db2.gz LAZKKBBVWCQFPH-UHFFFAOYSA-N 0 3 316.376 2.826 20 70 DFIDHN Cc1noc(Cl)c1CC(=O)NCc1cccc(CN(C)C)c1 ZINC000159989523 295385230 /nfs/dbraw/zinc/38/52/30/295385230.db2.gz MAADYDBNHIUWEV-UHFFFAOYSA-N 0 3 321.808 2.557 20 70 DFIDHN Cc1cccc([C@H]2CCCN2CCC(=O)N2CCC[C@@H]2C)n1 ZINC000160140389 295387011 /nfs/dbraw/zinc/38/70/11/295387011.db2.gz FASVAIRUKNNCEB-DOTOQJQBSA-N 0 3 301.434 2.928 20 70 DFIDHN CC[C@H](c1ccccc1)S(=O)(=O)C(C)C(=O)NC(C)(C)C ZINC000160444482 295391208 /nfs/dbraw/zinc/39/12/08/295391208.db2.gz DOTANOZDPATXRQ-GXTWGEPZSA-N 0 3 311.447 2.856 20 70 DFIDHN CC(C)CN1CCC[C@@H]1CNC(=O)c1cc(F)c(F)cc1F ZINC000160516979 295392200 /nfs/dbraw/zinc/39/22/00/295392200.db2.gz FSMOCWMPWQGINY-LLVKDONJSA-N 0 3 314.351 2.954 20 70 DFIDHN CC[C@H](C)CN(CC)[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000160536937 295392369 /nfs/dbraw/zinc/39/23/69/295392369.db2.gz CQJXHXVELOTTFE-KBPBESRZSA-N 0 3 317.433 2.728 20 70 DFIDHN CCN(CC(=O)Nc1ccc2c(c1)OCCO2)CC(C)(C)C ZINC000160674063 295394314 /nfs/dbraw/zinc/39/43/14/295394314.db2.gz KFVRGDLAKJQGFY-UHFFFAOYSA-N 0 3 306.406 2.764 20 70 DFIDHN Cc1[nH]nc(C(C)C)c1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000160923384 295396340 /nfs/dbraw/zinc/39/63/40/295396340.db2.gz YDQMBDCJPFFFTK-OAHLLOKOSA-N 0 3 314.433 2.874 20 70 DFIDHN Cc1n[nH]c(C(C)C)c1C(=O)NC[C@H](c1ccccc1)N(C)C ZINC000160923384 295396342 /nfs/dbraw/zinc/39/63/42/295396342.db2.gz YDQMBDCJPFFFTK-OAHLLOKOSA-N 0 3 314.433 2.874 20 70 DFIDHN COCc1nc(C)cc(N(CCN(C)C)CC2CCCCC2)n1 ZINC000160944246 295396635 /nfs/dbraw/zinc/39/66/35/295396635.db2.gz WHZQZIGWSATKQF-UHFFFAOYSA-N 0 3 320.481 2.880 20 70 DFIDHN CCC[C@H](C(=O)NCc1ccc(Br)s1)N(C)C ZINC000161489183 295403740 /nfs/dbraw/zinc/40/37/40/295403740.db2.gz BHOVBHGWVRCZOO-SNVBAGLBSA-N 0 3 319.268 2.857 20 70 DFIDHN [O-]c1ccccc1C[N@@H+](CC1=CCCOC1)C[C@H]1CCCO1 ZINC000160198799 526372533 /nfs/dbraw/zinc/37/25/33/526372533.db2.gz WURHQUGZMAXLGQ-QGZVFWFLSA-N 0 3 303.402 2.720 20 70 DFIDHN [O-]c1ccccc1C[N@H+](CC1=CCCOC1)C[C@H]1CCCO1 ZINC000160198799 526372539 /nfs/dbraw/zinc/37/25/39/526372539.db2.gz WURHQUGZMAXLGQ-QGZVFWFLSA-N 0 3 303.402 2.720 20 70 DFIDHN CC(C)CNC(=O)[C@@H](C)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000160832417 535164431 /nfs/dbraw/zinc/16/44/31/535164431.db2.gz HJZFJJVPRZGKBZ-LSDHHAIUSA-N 0 3 314.433 2.684 20 70 DFIDHN Cc1nc2n(n1)C[C@@H](N[C@@H]1CCCOc3cc(C)ccc31)CC2 ZINC000160366521 282117964 /nfs/dbraw/zinc/11/79/64/282117964.db2.gz HIOLCVXBAAEENW-GOEBONIOSA-N 0 3 312.417 2.713 20 70 DFIDHN CC(C)C[N@H+]1CC[C@@H](CNC(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000159563384 535129645 /nfs/dbraw/zinc/12/96/45/535129645.db2.gz QXCITWYESZXKNO-ZDUSSCGKSA-N 0 3 324.852 2.682 20 70 DFIDHN C[C@H](N[C@H]1CCCSC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000159582481 186129087 /nfs/dbraw/zinc/12/90/87/186129087.db2.gz WIGNMNOXPWUEAV-JQWIXIFHSA-N 0 3 317.451 2.775 20 70 DFIDHN NC(=O)[C@@H](NCCC1Cc2ccccc2C1)c1ccc(F)cc1 ZINC000159723038 186137577 /nfs/dbraw/zinc/13/75/77/186137577.db2.gz ORFTYNLIPZWEJA-SFHVURJKSA-N 0 3 312.388 2.747 20 70 DFIDHN C[C@H](Cc1ccccc1F)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000159494470 398965331 /nfs/dbraw/zinc/96/53/31/398965331.db2.gz KCCBBIYFNSMMES-CZUORRHYSA-N 0 3 304.409 2.605 20 70 DFIDHN N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1OC1CCC1 ZINC000161199001 197473112 /nfs/dbraw/zinc/47/31/12/197473112.db2.gz ISSHYFFEURFBDP-SFHVURJKSA-N 0 3 324.424 2.804 20 70 DFIDHN CC(C)[C@H](N)C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 ZINC000160862310 197444960 /nfs/dbraw/zinc/44/49/60/197444960.db2.gz ULRGXOJFEKVAIB-LHSJRXKWSA-N 0 3 310.463 2.656 20 70 DFIDHN C[C@@H](Cc1ccccc1F)C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000160268177 197396677 /nfs/dbraw/zinc/39/66/77/197396677.db2.gz ACDVINIKFLNJSM-SQWLQELKSA-N 0 3 304.409 2.699 20 70 DFIDHN Cc1nnc(N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c(C#N)c1C ZINC000160241417 197395334 /nfs/dbraw/zinc/39/53/34/197395334.db2.gz ZMDLMBYZTOKYGA-SCLBCKFNSA-N 0 3 321.428 2.898 20 70 DFIDHN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(C)(C)C ZINC000160219169 197393283 /nfs/dbraw/zinc/39/32/83/197393283.db2.gz ORIRMQDVIMJJLW-UHFFFAOYSA-N 0 3 305.422 2.952 20 70 DFIDHN C[C@@H](CC(=O)N1CCCCCC1)NC[C@](C)(O)c1ccsc1 ZINC000160054926 197382874 /nfs/dbraw/zinc/38/28/74/197382874.db2.gz FYAVAMBAUDOEHV-YOEHRIQHSA-N 0 3 324.490 2.726 20 70 DFIDHN CCN(CC)CC(=O)N[C@H](c1cccc(C)c1)c1ccccn1 ZINC000159958246 197375748 /nfs/dbraw/zinc/37/57/48/197375748.db2.gz OSTLSHHPQGEECG-LJQANCHMSA-N 0 3 311.429 2.937 20 70 DFIDHN CC[C@@H](COC)NC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000159866369 197369759 /nfs/dbraw/zinc/36/97/59/197369759.db2.gz SVYUTRLBHDOKJT-HOCLYGCPSA-N 0 3 321.465 2.840 20 70 DFIDHN COc1ccc(CN2CCC(CC(N)=O)CC2)c2ccccc12 ZINC000159839364 197367800 /nfs/dbraw/zinc/36/78/00/197367800.db2.gz CHKLHIYSQWMLHG-UHFFFAOYSA-N 0 3 312.413 2.936 20 70 DFIDHN O[C@H](c1ccc(Cl)cc1)C1CCN(CCn2ccnc2)CC1 ZINC000159814920 197366188 /nfs/dbraw/zinc/36/61/88/197366188.db2.gz DJYFQJUNJYCWFT-QGZVFWFLSA-N 0 3 319.836 2.982 20 70 DFIDHN CCS(=O)(=O)c1ccc([C@H](C)NCc2ccn(C)c2)cc1 ZINC000159782210 197364397 /nfs/dbraw/zinc/36/43/97/197364397.db2.gz WXNVJWBKRKWYAW-ZDUSSCGKSA-N 0 3 306.431 2.670 20 70 DFIDHN CCS(=O)(=O)c1ccc([C@@H](C)NCc2ccn(C)c2)cc1 ZINC000159782067 197364517 /nfs/dbraw/zinc/36/45/17/197364517.db2.gz WXNVJWBKRKWYAW-CYBMUJFWSA-N 0 3 306.431 2.670 20 70 DFIDHN CCN1CCC(NC(=O)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000159489215 197358018 /nfs/dbraw/zinc/35/80/18/197358018.db2.gz LMKFDJVBJCNITQ-UHFFFAOYSA-N 0 3 316.232 2.790 20 70 DFIDHN CCC[C@H](C(=O)NCc1ccccc1OC(F)F)N(C)C ZINC000159504689 197358720 /nfs/dbraw/zinc/35/87/20/197358720.db2.gz IISQAUCFMCHFOI-GFCCVEGCSA-N 0 3 300.349 2.635 20 70 DFIDHN COC[C@H](N[C@@H](CN1CCCC1=O)c1ccccc1)C(C)C ZINC000160752992 285407971 /nfs/dbraw/zinc/40/79/71/285407971.db2.gz WRPWOHSYQFZJBZ-IRXDYDNUSA-N 0 3 304.434 2.611 20 70 DFIDHN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@H](N)CC(C)C ZINC000159450828 542718095 /nfs/dbraw/zinc/71/80/95/542718095.db2.gz BXSGZCQVYWNJBU-GLQYFDAESA-N 0 3 312.841 2.906 20 70 DFIDHN CN(Cc1ccccc1)C[C@@H](O)CN(C)c1ccccc1F ZINC000161264944 542727759 /nfs/dbraw/zinc/72/77/59/542727759.db2.gz FJIIGEPZOXYHFZ-MRXNPFEDSA-N 0 3 302.393 2.755 20 70 DFIDHN CC(C)c1ccc(C(=O)N2CCN(c3ccncc3)CC2)cn1 ZINC000161078063 542726711 /nfs/dbraw/zinc/72/67/11/542726711.db2.gz APWDJRRYGSZWQT-UHFFFAOYSA-N 0 3 310.401 2.562 20 70 DFIDHN C[C@@H](N[C@H]1CCCN(c2ccccc2C#N)C1)c1cnccn1 ZINC000159477304 145219606 /nfs/dbraw/zinc/21/96/06/145219606.db2.gz LDWOTXXSRHIUTI-ZBFHGGJFSA-N 0 3 307.401 2.668 20 70 DFIDHN Cn1ccnc1CNCCc1ccc(Br)s1 ZINC000218239275 146000422 /nfs/dbraw/zinc/00/04/22/146000422.db2.gz VVUDZKBBWJNPBJ-UHFFFAOYSA-N 0 3 300.225 2.576 20 70 DFIDHN COc1cccc2c1CC[C@H]2NC(=O)N(CCN(C)C)C(C)C ZINC000159662460 267530737 /nfs/dbraw/zinc/53/07/37/267530737.db2.gz PRFNTJJYRIJHLE-MRXNPFEDSA-N 0 3 319.449 2.664 20 70 DFIDHN CC(=O)Nc1ccccc1CNCCN(C)C(=O)OC(C)(C)C ZINC000160384281 425980812 /nfs/dbraw/zinc/98/08/12/425980812.db2.gz PXPYSIQBKHZAQX-UHFFFAOYSA-N 0 3 321.421 2.602 20 70 DFIDHN CC[C@@H](N[C@H]1CCc2nc(C)nn2C1)c1cccc(OC)c1 ZINC000160353758 425980866 /nfs/dbraw/zinc/98/08/66/425980866.db2.gz VRMOHRMMTFUXPP-GOEBONIOSA-N 0 3 300.406 2.651 20 70 DFIDHN Cc1cccc(C)c1CN[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000160415401 425981751 /nfs/dbraw/zinc/98/17/51/425981751.db2.gz URDDLWMXGJDSNI-CQSZACIVSA-N 0 3 318.442 2.802 20 70 DFIDHN C[C@@H](C(=O)N(C)C1CCCCC1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160543759 425986308 /nfs/dbraw/zinc/98/63/08/425986308.db2.gz MTMIZICITRTYMU-FRQCXROJSA-N 0 3 322.493 2.793 20 70 DFIDHN CCC[C@@H](NCC(=O)NCC(F)(F)F)c1ccc(OC)cc1 ZINC000160532042 425986601 /nfs/dbraw/zinc/98/66/01/425986601.db2.gz JNOQOYODXGCOMT-CYBMUJFWSA-N 0 3 318.339 2.805 20 70 DFIDHN COc1cc(OC)c(CN[C@@H]2CCOC(C)(C)C2)c(OC)c1 ZINC000160551425 425986694 /nfs/dbraw/zinc/98/66/94/425986694.db2.gz HYBAIFMNMUODAW-GFCCVEGCSA-N 0 3 309.406 2.760 20 70 DFIDHN COCCNCC(=O)N[C@@H](CC(C)C)c1ccc(Cl)cc1 ZINC000160559879 425987297 /nfs/dbraw/zinc/98/72/97/425987297.db2.gz ORMONORQXVXIMC-HNNXBMFYSA-N 0 3 312.841 2.779 20 70 DFIDHN O=C(NCCN1CCCCC1)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000160569266 425988055 /nfs/dbraw/zinc/98/80/55/425988055.db2.gz NTXHINVBIMCARE-ZIAGYGMSSA-N 0 3 308.372 2.670 20 70 DFIDHN COc1ccc([C@@H](C)NC[C@@H]2CCCC[C@@H]2O)cc1NC(C)=O ZINC000160591719 425988552 /nfs/dbraw/zinc/98/85/52/425988552.db2.gz OFNIFZVBCSYNIE-PVUWLOKVSA-N 0 3 320.433 2.855 20 70 DFIDHN CC(C)(C)c1ccc(C(=O)NC[C@H](O)CN2CCCCC2)s1 ZINC000160632280 425991498 /nfs/dbraw/zinc/99/14/98/425991498.db2.gz WDFYSPHJXJBCAL-ZDUSSCGKSA-N 0 3 324.490 2.622 20 70 DFIDHN CCn1cc(C2CCN(CCC(=O)OC(C)(C)C)CC2)cn1 ZINC000160635674 425991524 /nfs/dbraw/zinc/99/15/24/425991524.db2.gz QFXKKLYHMAQCLL-UHFFFAOYSA-N 0 3 307.438 2.814 20 70 DFIDHN CN(C)Cc1cccc(CNC(=O)NC[C@]2(C)CCCS2)c1 ZINC000160639182 425991552 /nfs/dbraw/zinc/99/15/52/425991552.db2.gz CGOORYUDMLQOEM-KRWDZBQOSA-N 0 3 321.490 2.833 20 70 DFIDHN O=[N+]([O-])c1cccc(CN2CC[C@H](CNc3ccccn3)C2)c1 ZINC000160903652 426000407 /nfs/dbraw/zinc/00/04/07/426000407.db2.gz NRDMSMLHTADGJF-OAHLLOKOSA-N 0 3 312.373 2.924 20 70 DFIDHN O=[N+]([O-])c1ccc(CN2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000160903087 426000908 /nfs/dbraw/zinc/00/09/08/426000908.db2.gz KYTRSERXVQRLHK-OAHLLOKOSA-N 0 3 312.373 2.924 20 70 DFIDHN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1cnc(C2CCCC2)s1 ZINC000159551741 425962954 /nfs/dbraw/zinc/96/29/54/425962954.db2.gz IHUHSGYFXHKZIJ-YPMHNXCESA-N 0 3 307.463 2.887 20 70 DFIDHN CCN1CCCN(C(=O)NC2CCC(C(F)(F)F)CC2)CC1 ZINC000159580572 425963022 /nfs/dbraw/zinc/96/30/22/425963022.db2.gz BAJXFQCDSUPDEI-UHFFFAOYSA-N 0 3 321.387 2.845 20 70 DFIDHN Cc1c(CNC[C@H](c2ccco2)N2CCCCC2)cnn1C ZINC000159580717 425963559 /nfs/dbraw/zinc/96/35/59/425963559.db2.gz SAXVPQGGKZRRGB-MRXNPFEDSA-N 0 3 302.422 2.638 20 70 DFIDHN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1cnc(-c2ccsc2)s1 ZINC000159595708 425964240 /nfs/dbraw/zinc/96/42/40/425964240.db2.gz ZDDDSKHOCMXLEW-WDEREUQCSA-N 0 3 321.471 2.957 20 70 DFIDHN CCC[C@H](N)C(=O)N[C@@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000159615897 425964394 /nfs/dbraw/zinc/96/43/94/425964394.db2.gz SYSZCIUPEHPDCT-CABZTGNLSA-N 0 3 322.796 2.695 20 70 DFIDHN COc1ccc2oc(CN3C[C@H](C(N)=O)CC[C@@H]3C)cc2c1 ZINC000159704249 425965172 /nfs/dbraw/zinc/96/51/72/425965172.db2.gz CJAPJXDYHDGSMQ-NWDGAFQWSA-N 0 3 302.374 2.527 20 70 DFIDHN CC[C@@H](Cc1ccccc1)NC(=O)N1CCCN(CC)CC1 ZINC000159813711 425967665 /nfs/dbraw/zinc/96/76/65/425967665.db2.gz HFWVQRDPAMFPTE-KRWDZBQOSA-N 0 3 303.450 2.745 20 70 DFIDHN O=C(Nc1ccc(F)cc1)C1CCN(CCOCC2CC2)CC1 ZINC000160225333 425977396 /nfs/dbraw/zinc/97/73/96/425977396.db2.gz AOJKAAHYKJCOSR-UHFFFAOYSA-N 0 3 320.408 2.903 20 70 DFIDHN CC(C)c1ncc(Cl)c(C(=O)N[C@H]2CN(C(C)C)C[C@H]2C)n1 ZINC000161184175 426012925 /nfs/dbraw/zinc/01/29/25/426012925.db2.gz AMDGLPDZQSIACO-YPMHNXCESA-N 0 3 324.856 2.712 20 70 DFIDHN CSCC[C@@H](N)C(=O)N1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000161294480 426017600 /nfs/dbraw/zinc/01/76/00/426017600.db2.gz RTPUWOJNHITMQX-OFQRWUPVSA-N 0 3 306.475 2.780 20 70 DFIDHN CCC[C@@H](C(=O)NCCc1nc2ccccc2s1)N(C)C ZINC000161306776 426018888 /nfs/dbraw/zinc/01/88/88/426018888.db2.gz XHQJFJPVQOAWRY-ZDUSSCGKSA-N 0 3 305.447 2.685 20 70 DFIDHN CCC[C@H](C(=O)NCCc1nc2ccccc2s1)N(C)C ZINC000161306889 426019207 /nfs/dbraw/zinc/01/92/07/426019207.db2.gz XHQJFJPVQOAWRY-CYBMUJFWSA-N 0 3 305.447 2.685 20 70 DFIDHN CCC(CC)c1cc(C(=O)NC[C@H]2CCN(C3CC3)C2)on1 ZINC000161331644 426019993 /nfs/dbraw/zinc/01/99/93/426019993.db2.gz VFAVVEWWJUJXJM-GFCCVEGCSA-N 0 3 305.422 2.792 20 70 DFIDHN CCOC[C@H](O)CN[C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000161332629 426020208 /nfs/dbraw/zinc/02/02/08/426020208.db2.gz JAEPDRJXNTZMHO-DGCLKSJQSA-N 0 3 321.339 2.676 20 70 DFIDHN CCC[C@H](N)C(=O)Nc1ccc(C)c(OCC2CCOCC2)c1 ZINC000161375569 426021721 /nfs/dbraw/zinc/02/17/21/426021721.db2.gz DLJCNSWTSPDOJG-INIZCTEOSA-N 0 3 320.433 2.866 20 70 DFIDHN CCOCCN1CCN(Cc2ccnc(Cl)c2)C[C@@H]1CC ZINC000216946262 426562447 /nfs/dbraw/zinc/56/24/47/426562447.db2.gz BPSZLKYYKZKUML-HNNXBMFYSA-N 0 3 311.857 2.668 20 70 DFIDHN C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160676992 278146913 /nfs/dbraw/zinc/14/69/13/278146913.db2.gz NZRHNMWTDDQOGT-VYIWNADRSA-N 0 3 322.493 2.791 20 70 DFIDHN C[C@H](CN[C@@H]1CCCc2c1cnn2C)N1CCc2ccccc2C1 ZINC000159837117 279349598 /nfs/dbraw/zinc/34/95/98/279349598.db2.gz CJWCPCPQENKLDE-DNVCBOLYSA-N 0 3 324.472 2.834 20 70 DFIDHN CC[C@@H](c1ccncc1)N(C)C(=O)NC[C@H]1CCCN(C)C1 ZINC000159456876 295376916 /nfs/dbraw/zinc/37/69/16/295376916.db2.gz MDBCHSBKVJKPMK-ZBFHGGJFSA-N 0 3 304.438 2.516 20 70 DFIDHN CCC[C@@H](C(=O)NC[C@H](Nc1ccccc1)C(C)C)N(C)C ZINC000159562264 295378291 /nfs/dbraw/zinc/37/82/91/295378291.db2.gz MKNWJVMCCYYGDI-IRXDYDNUSA-N 0 3 305.466 2.970 20 70 DFIDHN Cc1nn(C)cc1CNC[C@H](c1ccco1)N1CCCCC1 ZINC000159579822 295378780 /nfs/dbraw/zinc/37/87/80/295378780.db2.gz LMGLJVDDPGHRQS-MRXNPFEDSA-N 0 3 302.422 2.638 20 70 DFIDHN O=C(CN1CC[C@@H]2CCCC[C@@H]21)Nc1ccc2c(c1)OCO2 ZINC000159679174 295380389 /nfs/dbraw/zinc/38/03/89/295380389.db2.gz FRDKPEHDXBPBHS-JSGCOSHPSA-N 0 3 302.374 2.618 20 70 DFIDHN CC[C@H](C)OCC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000159727669 295380622 /nfs/dbraw/zinc/38/06/22/295380622.db2.gz SYPZOPCXEUTINF-WMZOPIPTSA-N 0 3 318.461 2.925 20 70 DFIDHN CC[C@@H](C)OCC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000159727257 295380890 /nfs/dbraw/zinc/38/08/90/295380890.db2.gz SYPZOPCXEUTINF-SJLPKXTDSA-N 0 3 318.461 2.925 20 70 DFIDHN COCCC1(C(=O)NCc2ccc(CN(C)C)cc2)CCCC1 ZINC000159711966 295380936 /nfs/dbraw/zinc/38/09/36/295380936.db2.gz KKUGPWJRJVLGDC-UHFFFAOYSA-N 0 3 318.461 2.961 20 70 DFIDHN Cc1cccc([C@@H]2CCCN2CCC(=O)N2CCC[C@@H]2C)n1 ZINC000160140240 295386998 /nfs/dbraw/zinc/38/69/98/295386998.db2.gz FASVAIRUKNNCEB-RDJZCZTQSA-N 0 3 301.434 2.928 20 70 DFIDHN CCCCn1ncc(NC(=O)NCCN(CC)C2CC2)c1C ZINC000160150403 295387384 /nfs/dbraw/zinc/38/73/84/295387384.db2.gz QOPZYXTZVPTCQN-UHFFFAOYSA-N 0 3 307.442 2.597 20 70 DFIDHN C[C@@H]1CCCN(CCNC(=O)Cc2c[nH]c3cc(F)ccc23)C1 ZINC000160259154 295388966 /nfs/dbraw/zinc/38/89/66/295388966.db2.gz SYBWVKLRKZPKFV-CYBMUJFWSA-N 0 3 317.408 2.698 20 70 DFIDHN COCC(C)(C)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000160386456 295390562 /nfs/dbraw/zinc/39/05/62/295390562.db2.gz WGTKCMIHAKXKES-CYBMUJFWSA-N 0 3 310.463 2.674 20 70 DFIDHN C[C@@H]1CCc2c(F)cccc2[C@@H]1NCC(=O)NCC(F)(F)F ZINC000160527654 295392359 /nfs/dbraw/zinc/39/23/59/295392359.db2.gz CQJHACJNMUDTCN-YMTOWFKASA-N 0 3 318.314 2.717 20 70 DFIDHN COCC(C)(C)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000160558492 295392830 /nfs/dbraw/zinc/39/28/30/295392830.db2.gz ZSWQJIFWROTGIF-UHFFFAOYSA-N 0 3 318.461 2.961 20 70 DFIDHN Cc1cc(C(=O)NC2CCN(CCOCC3CC3)CC2)c(C)o1 ZINC000160384101 526264641 /nfs/dbraw/zinc/26/46/41/526264641.db2.gz KUXSOOGESCTDSM-UHFFFAOYSA-N 0 3 320.433 2.517 20 70 DFIDHN CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000159563384 535129642 /nfs/dbraw/zinc/12/96/42/535129642.db2.gz QXCITWYESZXKNO-ZDUSSCGKSA-N 0 3 324.852 2.682 20 70 DFIDHN Cc1nc2n(n1)C[C@@H](N[C@H]1c3cc(F)ccc3C[C@@H]1C)CC2 ZINC000160582605 282119909 /nfs/dbraw/zinc/11/99/09/282119909.db2.gz TVXVYXCTIFXLDH-RMLVOYDJSA-N 0 3 300.381 2.564 20 70 DFIDHN Cc1nc2n(n1)C[C@H](N[C@H]1c3cc(F)ccc3C[C@@H]1C)CC2 ZINC000160582481 282128290 /nfs/dbraw/zinc/12/82/90/282128290.db2.gz TVXVYXCTIFXLDH-NCAQKEMTSA-N 0 3 300.381 2.564 20 70 DFIDHN CCC[C@H](C(=O)N[C@H]1CCCN(c2ccccc2)C1)N(C)C ZINC000159603910 186130119 /nfs/dbraw/zinc/13/01/19/186130119.db2.gz WXRWHUZHFGYSRP-DOTOQJQBSA-N 0 3 303.450 2.502 20 70 DFIDHN c1nn(Cc2ccccc2)cc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159682300 186135050 /nfs/dbraw/zinc/13/50/50/186135050.db2.gz RPADCYRHBCRQEH-OTWHNJEPSA-N 0 3 323.440 2.979 20 70 DFIDHN NC(=O)[C@H](NCCC1Cc2ccccc2C1)c1ccc(F)cc1 ZINC000159723167 186137350 /nfs/dbraw/zinc/13/73/50/186137350.db2.gz ORFTYNLIPZWEJA-GOSISDBHSA-N 0 3 312.388 2.747 20 70 DFIDHN COCCOC[C@H]1CCN(Cc2ccc(OC)c(Cl)c2)C1 ZINC000159736890 186138804 /nfs/dbraw/zinc/13/88/04/186138804.db2.gz ZNRQERBPFHXZHP-AWEZNQCLSA-N 0 3 313.825 2.834 20 70 DFIDHN C[C@@H](c1cccc(O)c1)N(C)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000160628705 398971751 /nfs/dbraw/zinc/97/17/51/398971751.db2.gz CGFCGDGIWHMYNA-BBRMVZONSA-N 0 3 317.433 2.579 20 70 DFIDHN C[C@@H](c1cccc(O)c1)N(C)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160628422 398971211 /nfs/dbraw/zinc/97/12/11/398971211.db2.gz CGFCGDGIWHMYNA-XJKSGUPXSA-N 0 3 317.433 2.579 20 70 DFIDHN C[C@@H](CN1CCCCC1)NC(=O)c1cc(F)cc2cccnc21 ZINC000160264760 197396423 /nfs/dbraw/zinc/39/64/23/197396423.db2.gz UEENQZXEOPHQMQ-ZDUSSCGKSA-N 0 3 315.392 2.978 20 70 DFIDHN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@H](C)N)s2)cc1 ZINC000160128988 197387926 /nfs/dbraw/zinc/38/79/26/197387926.db2.gz ZRHCVRUKVQQJOI-UWVGGRQHSA-N 0 3 319.430 2.652 20 70 DFIDHN CSCC[C@@H](N)C(=O)NCCOc1cccc(C(C)(C)C)c1 ZINC000160108633 197386106 /nfs/dbraw/zinc/38/61/06/197386106.db2.gz VVIPQLOQEJUSPN-OAHLLOKOSA-N 0 3 324.490 2.560 20 70 DFIDHN O=C(c1ccc(F)cc1)[C@H]1CCCN(CCn2ccnc2)C1 ZINC000159843514 197368249 /nfs/dbraw/zinc/36/82/49/197368249.db2.gz QAEWTQVLOLAKLZ-HNNXBMFYSA-N 0 3 301.365 2.617 20 70 DFIDHN CC[C@@H](NC[C@H](C)N1CCc2sccc2C1)c1cnn(C)c1 ZINC000159849053 197368048 /nfs/dbraw/zinc/36/80/48/197368048.db2.gz TYVMOXRJUXZAIT-XJKSGUPXSA-N 0 3 318.490 2.969 20 70 DFIDHN Cc1cnn(-c2ccc(NC(=O)[C@@H](N)CC(C)C)cc2F)c1 ZINC000159774723 197363494 /nfs/dbraw/zinc/36/34/94/197363494.db2.gz OKAVTCNKXRMSBL-AWEZNQCLSA-N 0 3 304.369 2.632 20 70 DFIDHN CC(C)[C@H](N)C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000159510600 197359689 /nfs/dbraw/zinc/35/96/89/197359689.db2.gz XLJOBUBTQYJWEO-HOTGVXAUSA-N 0 3 324.852 2.595 20 70 DFIDHN CC(C)OCCNC[C@H](O)COc1cc(Cl)ccc1Cl ZINC000160196229 542721739 /nfs/dbraw/zinc/72/17/39/542721739.db2.gz UAOWHAXKSRVWEZ-LBPRGKRZSA-N 0 3 322.232 2.748 20 70 DFIDHN C[C@@H](N[C@H]1CCCN(c2ccccc2C#N)C1)c1cnn(C)c1 ZINC000159479444 145219772 /nfs/dbraw/zinc/21/97/72/145219772.db2.gz INEFRRHOVBCRRB-PBHICJAKSA-N 0 3 309.417 2.611 20 70 DFIDHN C[C@H](N[C@@H]1CCCN(c2ccccc2C#N)C1)c1cnn(C)c1 ZINC000159479069 145220188 /nfs/dbraw/zinc/22/01/88/145220188.db2.gz INEFRRHOVBCRRB-WMLDXEAASA-N 0 3 309.417 2.611 20 70 DFIDHN CC(C)CN1CCC[C@@H]1CNC(=O)c1cc(C(C)(C)C)on1 ZINC000160404409 425981802 /nfs/dbraw/zinc/98/18/02/425981802.db2.gz NPSURGDZZICSME-CYBMUJFWSA-N 0 3 307.438 2.822 20 70 DFIDHN Cc1nc2n(n1)C[C@H](N[C@@H]1CCCOc3ccc(C)cc31)CC2 ZINC000160445787 425982875 /nfs/dbraw/zinc/98/28/75/425982875.db2.gz XXMJMICHEXPTHT-GDBMZVCRSA-N 0 3 312.417 2.713 20 70 DFIDHN COC(=O)Cc1cccc(NC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)c1 ZINC000160492972 425984322 /nfs/dbraw/zinc/98/43/22/425984322.db2.gz MEGCGENDVIZLLJ-IHRRRGAJSA-N 0 3 318.417 2.602 20 70 DFIDHN CC(C)CN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000160535818 425986443 /nfs/dbraw/zinc/98/64/43/425986443.db2.gz BOIQULSBUMPHSY-CYBMUJFWSA-N 0 3 323.368 2.584 20 70 DFIDHN CN(Cc1cccn1C)C(=O)[C@@H]1CCCN1Cc1ccccc1 ZINC000160552919 425987085 /nfs/dbraw/zinc/98/70/85/425987085.db2.gz JFLWPIHOARCMTI-SFHVURJKSA-N 0 3 311.429 2.648 20 70 DFIDHN O=C(NCCN1CCCCC1)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000160568997 425987590 /nfs/dbraw/zinc/98/75/90/425987590.db2.gz NTXHINVBIMCARE-KGLIPLIRSA-N 0 3 308.372 2.670 20 70 DFIDHN O=C(Nc1ccc(OCC2CCOCC2)cc1)[C@@H]1CCCCN1 ZINC000161034996 426005743 /nfs/dbraw/zinc/00/57/43/426005743.db2.gz GLTYCFDVGNVCJB-KRWDZBQOSA-N 0 3 318.417 2.573 20 70 DFIDHN O=C(CCCC1CCCCC1)NCC1CCN(CCO)CC1 ZINC000160582518 425989247 /nfs/dbraw/zinc/98/92/47/425989247.db2.gz BQJWLADVASAEJZ-UHFFFAOYSA-N 0 3 310.482 2.558 20 70 DFIDHN Cc1ccc(C[C@H](NCC(=O)NCC(F)(F)F)C2CC2)cc1 ZINC000160631892 425990641 /nfs/dbraw/zinc/99/06/41/425990641.db2.gz MACNZICNYNKQKP-AWEZNQCLSA-N 0 3 314.351 2.584 20 70 DFIDHN Cc1c(CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)cnn1C ZINC000160713134 425993359 /nfs/dbraw/zinc/99/33/59/425993359.db2.gz KCENPWPELNRMRE-SFHVURJKSA-N 0 3 313.401 2.741 20 70 DFIDHN Cc1nn(C)cc1CN[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000160711741 425993718 /nfs/dbraw/zinc/99/37/18/425993718.db2.gz BRZGSQLKGWEISJ-GOSISDBHSA-N 0 3 313.401 2.741 20 70 DFIDHN CC[C@H](O)CCNC(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000160746690 425994817 /nfs/dbraw/zinc/99/48/17/425994817.db2.gz BVZOQTAULFGWDV-IRXDYDNUSA-N 0 3 321.465 2.530 20 70 DFIDHN CC[C@@H](NCCNC(=O)c1cccnc1)c1ccc(F)cc1 ZINC000160757392 425995621 /nfs/dbraw/zinc/99/56/21/425995621.db2.gz OOUFMFRVTBVMGV-MRXNPFEDSA-N 0 3 301.365 2.691 20 70 DFIDHN COC(CN(C)CCCc1cc(-c2ccccc2)no1)OC ZINC000160809552 425996840 /nfs/dbraw/zinc/99/68/40/425996840.db2.gz QGSFDHIEIFIQQP-UHFFFAOYSA-N 0 3 304.390 2.825 20 70 DFIDHN CC[C@@H](C(=O)N1CCC(Nc2ccccc2F)CC1)N(C)C ZINC000160814409 425997521 /nfs/dbraw/zinc/99/75/21/425997521.db2.gz RZIHOHLTHKEYKX-INIZCTEOSA-N 0 3 307.413 2.569 20 70 DFIDHN CC(C)[C@@H](N)C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 ZINC000160862221 425999120 /nfs/dbraw/zinc/99/91/20/425999120.db2.gz ULRGXOJFEKVAIB-SZNDQCEHSA-N 0 3 310.463 2.656 20 70 DFIDHN C[C@@H](N)C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 ZINC000160854411 425999525 /nfs/dbraw/zinc/99/95/25/425999525.db2.gz TXDKWAJVBBIBIN-GTJPDFRWSA-N 0 3 308.447 2.554 20 70 DFIDHN CC[C@H]1CCCCN1C(=O)[C@H](C)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160930527 426002034 /nfs/dbraw/zinc/00/20/34/426002034.db2.gz NWGYDUNJCDLYRP-MJQMVNBJSA-N 0 3 322.493 2.793 20 70 DFIDHN CC[C@H](C(=O)Nc1ccn(CCN(C)C)n1)c1ccc(F)cc1 ZINC000159549073 425962911 /nfs/dbraw/zinc/96/29/11/425962911.db2.gz IRPUXALARKCBDP-HNNXBMFYSA-N 0 3 318.396 2.716 20 70 DFIDHN CN(CCN1CCC(n2cccn2)CC1)Cc1ccc(F)cc1 ZINC000159574490 425963038 /nfs/dbraw/zinc/96/30/38/425963038.db2.gz PSOIZWQKUZUSOY-UHFFFAOYSA-N 0 3 316.424 2.791 20 70 DFIDHN CCC[C@@H](N)C(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000159616310 425964551 /nfs/dbraw/zinc/96/45/51/425964551.db2.gz SYSZCIUPEHPDCT-BXKDBHETSA-N 0 3 322.796 2.695 20 70 DFIDHN CCC(C)(C)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000160007929 425972405 /nfs/dbraw/zinc/97/24/05/425972405.db2.gz XYAXMFPKRRMYBE-GOEBONIOSA-N 0 3 303.450 2.995 20 70 DFIDHN Cc1nc2ccccn2c1CN1CCC(Cn2cccn2)CC1 ZINC000160092043 425974614 /nfs/dbraw/zinc/97/46/14/425974614.db2.gz IFBACWPKLABSFC-UHFFFAOYSA-N 0 3 309.417 2.751 20 70 DFIDHN COc1cc(NC(=O)C(C#N)c2nc(C)cs2)cc(OC)c1 ZINC000160149603 425974928 /nfs/dbraw/zinc/97/49/28/425974928.db2.gz JXSLXZVEWREFSY-ZDUSSCGKSA-N 0 3 317.370 2.715 20 70 DFIDHN COc1cccc(CCCN2CCC[C@@H](NC(=O)C(C)C)C2)c1 ZINC000160125606 425975421 /nfs/dbraw/zinc/97/54/21/425975421.db2.gz NDJJWSMQJCLOHD-QGZVFWFLSA-N 0 3 318.461 2.864 20 70 DFIDHN C[C@@H](C(=O)N[C@@H]1CCOC2(CCCC2)C1)N1[C@H](C)CC[C@@H]1C ZINC000160232190 425977652 /nfs/dbraw/zinc/97/76/52/425977652.db2.gz HDVCTJLFTJDFSS-XUWVNRHRSA-N 0 3 308.466 2.856 20 70 DFIDHN CC(C)CCn1ccc(NC(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)n1 ZINC000160325208 425979857 /nfs/dbraw/zinc/97/98/57/425979857.db2.gz ILRVNKSGEZQUIM-GJZGRUSLSA-N 0 3 321.469 2.779 20 70 DFIDHN COc1cccc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000161411520 426023200 /nfs/dbraw/zinc/02/32/00/426023200.db2.gz RVTMZZSFYGSLBR-OAHLLOKOSA-N 0 3 312.417 2.613 20 70 DFIDHN O[C@H](CN1CC[C@]2(O)CCCC[C@@H]2C1)c1ccc(F)cc1F ZINC000161156978 426011654 /nfs/dbraw/zinc/01/16/54/426011654.db2.gz DJJFMDFRABXHEM-CSMYWGQOSA-N 0 3 311.372 2.625 20 70 DFIDHN CC(C)C[C@@H](CN(C)C)NC(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000161230197 426013350 /nfs/dbraw/zinc/01/33/50/426013350.db2.gz QXKYNDLDWOXVEP-HNNXBMFYSA-N 0 3 319.424 2.942 20 70 DFIDHN CC(C)[C@@H](O)CC(=O)N1CCc2c1cccc2CN1CCCC1 ZINC000161345689 426019678 /nfs/dbraw/zinc/01/96/78/426019678.db2.gz XNSJBAMXVYPIRF-SFHVURJKSA-N 0 3 316.445 2.579 20 70 DFIDHN C[C@H](CC(N)=O)N[C@H](C)c1cc(Br)ccc1F ZINC000161351203 426021192 /nfs/dbraw/zinc/02/11/92/426021192.db2.gz ZJJGRKLKJQTAFM-HTQZYQBOSA-N 0 3 303.175 2.503 20 70 DFIDHN Fc1ccc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000161395863 426021755 /nfs/dbraw/zinc/02/17/55/426021755.db2.gz QXROFQGLHLUYMM-CQSZACIVSA-N 0 3 300.381 2.743 20 70 DFIDHN CC(C)[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1)N(C)C ZINC000160205969 271080076 /nfs/dbraw/zinc/08/00/76/271080076.db2.gz JVESBKXOEIRBFH-CYBMUJFWSA-N 0 3 302.340 2.908 20 70 DFIDHN C[C@H](C(=O)N(C)C1CCCCC1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160543870 279183916 /nfs/dbraw/zinc/18/39/16/279183916.db2.gz MTMIZICITRTYMU-GPMSIDNRSA-N 0 3 322.493 2.793 20 70 DFIDHN C[C@H]1C[C@H](NC(=O)N2CCc3cccc(F)c3C2)CN1C1CC1 ZINC000159853651 280003411 /nfs/dbraw/zinc/00/34/11/280003411.db2.gz HSADCIVJNXUMCV-JSGCOSHPSA-N 0 3 317.408 2.519 20 70 DFIDHN COc1ccc2c(c1)[C@H](N[C@H](CCO)CSC)CCCO2 ZINC000160175052 295276112 /nfs/dbraw/zinc/27/61/12/295276112.db2.gz FNOXJDRXVLRQJR-IUODEOHRSA-N 0 3 311.447 2.613 20 70 DFIDHN Cc1cccc(CN2CCCC[C@@H]2CCNS(C)(=O)=O)c1C ZINC000159409400 295376337 /nfs/dbraw/zinc/37/63/37/295376337.db2.gz BIEXEKBJNOTLOX-QGZVFWFLSA-N 0 3 324.490 2.597 20 70 DFIDHN Cc1ccc(C[C@@H](C)NC(=O)NC[C@@H]2CCCN(C)C2)s1 ZINC000159451198 295376738 /nfs/dbraw/zinc/37/67/38/295376738.db2.gz DUMRDKYZPNKQMZ-OCCSQVGLSA-N 0 3 309.479 2.629 20 70 DFIDHN Cc1ccc(C[C@H](C)NC(=O)NC[C@@H]2CCCN(C)C2)s1 ZINC000159451342 295376812 /nfs/dbraw/zinc/37/68/12/295376812.db2.gz DUMRDKYZPNKQMZ-JSGCOSHPSA-N 0 3 309.479 2.629 20 70 DFIDHN CC(C)CN1CCN(Cc2noc(C3CCCCC3)n2)CC1 ZINC000159637004 295379521 /nfs/dbraw/zinc/37/95/21/295379521.db2.gz DTXLDFFCBZOBRE-UHFFFAOYSA-N 0 3 306.454 2.891 20 70 DFIDHN COc1ccc(CN(C)Cc2ccc(-n3cncn3)cc2)cc1 ZINC000159868126 295383035 /nfs/dbraw/zinc/38/30/35/295383035.db2.gz KSPPXOZCMCMIKU-UHFFFAOYSA-N 0 3 308.385 2.908 20 70 DFIDHN CC1CCN(CCNC(=O)Cc2c[nH]c3cc(F)ccc23)CC1 ZINC000160235065 295388304 /nfs/dbraw/zinc/38/83/04/295388304.db2.gz QITWHILZXLZJNX-UHFFFAOYSA-N 0 3 317.408 2.698 20 70 DFIDHN CC[C@H](c1ccccc1)S(=O)(=O)C(C)C(=O)N(C)C(C)C ZINC000160450228 295391726 /nfs/dbraw/zinc/39/17/26/295391726.db2.gz QJNKKBIFAAZYLX-DZGCQCFKSA-N 0 3 311.447 2.808 20 70 DFIDHN CC(C)C[C@H](CN(C)C)NC(=O)NC[C@@]1(C)CCCS1 ZINC000160814539 295395535 /nfs/dbraw/zinc/39/55/35/295395535.db2.gz YQGKVNGSCLDEQY-UKRRQHHQSA-N 0 3 301.500 2.548 20 70 DFIDHN N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1OC1CCC1 ZINC000161199379 295399950 /nfs/dbraw/zinc/39/99/50/295399950.db2.gz ISSHYFFEURFBDP-GOSISDBHSA-N 0 3 324.424 2.804 20 70 DFIDHN CSC[C@H](CCO)N[C@@H](C)c1ccc(F)cc1N(C)C ZINC000160344108 295623043 /nfs/dbraw/zinc/62/30/43/295623043.db2.gz KDDVOEYRAXVNJK-AAEUAGOBSA-N 0 3 300.443 2.656 20 70 DFIDHN Cc1nc2n(n1)C[C@@H](N[C@H]1CC(C)(C)Cc3occc31)CC2 ZINC000160400549 302681717 /nfs/dbraw/zinc/68/17/17/302681717.db2.gz AIBSNICTRPFWGE-JSGCOSHPSA-N 0 3 300.406 2.798 20 70 DFIDHN COc1cc(O)c(CN(C)CCOc2ccccc2)cc1OC ZINC000159479877 522770777 /nfs/dbraw/zinc/77/07/77/522770777.db2.gz JTNBEEGTIBULMT-UHFFFAOYSA-N 0 3 317.385 2.920 20 70 DFIDHN CC[C@H](N)C(=O)NCc1ccc(Oc2ccccc2OC)cc1 ZINC000159535991 186125435 /nfs/dbraw/zinc/12/54/35/186125435.db2.gz GRTTVYSOKYLJSI-HNNXBMFYSA-N 0 3 314.385 2.841 20 70 DFIDHN C[C@@H](N[C@@H]1CCCSC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000159582352 186128991 /nfs/dbraw/zinc/12/89/91/186128991.db2.gz WIGNMNOXPWUEAV-ZYHUDNBSSA-N 0 3 317.451 2.775 20 70 DFIDHN CCS(=O)(=O)c1ccc([C@@H](C)N[C@H](COC)C(C)C)cc1 ZINC000159661547 186133558 /nfs/dbraw/zinc/13/35/58/186133558.db2.gz OWKSNJVEUOVAMN-CZUORRHYSA-N 0 3 313.463 2.802 20 70 DFIDHN Cc1nc2n(n1)C[C@H](N[C@H](C)c1cnc3ccsc3c1)CC2 ZINC000160507778 197417129 /nfs/dbraw/zinc/41/71/29/197417129.db2.gz ZLTPDOWZBRPDQL-ZWNOBZJWSA-N 0 3 313.430 2.862 20 70 DFIDHN CCc1ccc([C@H](CNC(=O)C(C)(C)COC)N(C)C)cc1 ZINC000160376742 197404467 /nfs/dbraw/zinc/40/44/67/197404467.db2.gz WJNKESPNYWYJQI-INIZCTEOSA-N 0 3 306.450 2.641 20 70 DFIDHN C[C@H](CN1CCCCC1)NC(=O)c1cc(F)cc2cccnc21 ZINC000160264896 197396476 /nfs/dbraw/zinc/39/64/76/197396476.db2.gz UEENQZXEOPHQMQ-CYBMUJFWSA-N 0 3 315.392 2.978 20 70 DFIDHN CCOC(=O)[C@H](C)N(CC)CC1CCN(c2ccccn2)CC1 ZINC000160007855 197379654 /nfs/dbraw/zinc/37/96/54/197379654.db2.gz KJTCTJLPSQCKBQ-HNNXBMFYSA-N 0 3 319.449 2.572 20 70 DFIDHN CCOCCC1(CN[C@H](C(N)=O)c2ccc(F)cc2)CCC1 ZINC000159977479 197378199 /nfs/dbraw/zinc/37/81/99/197378199.db2.gz NJBQLCPSZPNSCF-HNNXBMFYSA-N 0 3 308.397 2.539 20 70 DFIDHN C[C@H](CN[C@H](C)c1cnn(C)c1)N1CCc2sccc2C1 ZINC000159860916 197369111 /nfs/dbraw/zinc/36/91/11/197369111.db2.gz WSWUGAVUVNNGNV-CHWSQXEVSA-N 0 3 304.463 2.579 20 70 DFIDHN CCN1CCCN(C(=O)NCCCCc2nc(C)cs2)CC1 ZINC000159806246 197365704 /nfs/dbraw/zinc/36/57/04/197365704.db2.gz ZTYNDVIDZTYALQ-UHFFFAOYSA-N 0 3 324.494 2.511 20 70 DFIDHN CC(C)COc1ccc(CN2CCC(CC(N)=O)CC2)cc1 ZINC000159760764 197362762 /nfs/dbraw/zinc/36/27/62/197362762.db2.gz AFPKIICCMKNULU-UHFFFAOYSA-N 0 3 304.434 2.809 20 70 DFIDHN NC(=O)CC1CCN(Cc2cccc(-c3cccnc3)c2)CC1 ZINC000159764166 197362473 /nfs/dbraw/zinc/36/24/73/197362473.db2.gz IOAVMLPUVVFBHT-UHFFFAOYSA-N 0 3 309.413 2.836 20 70 DFIDHN CCc1ccc(CCNC(=O)N2CCCN(CC)CC2)cc1 ZINC000159881176 542720040 /nfs/dbraw/zinc/72/00/40/542720040.db2.gz MVHMFIGFEFNXBP-UHFFFAOYSA-N 0 3 303.450 2.529 20 70 DFIDHN c1ccc2nc(CN3CCN(c4ccncc4)CC3)ccc2c1 ZINC000161373739 542729847 /nfs/dbraw/zinc/72/98/47/542729847.db2.gz NCXKSWBGRKESKS-UHFFFAOYSA-N 0 3 304.397 2.952 20 70 DFIDHN COc1cc(CN2C[C@H](C(N)=O)CC[C@H]2C)ccc1OC(C)C ZINC000159532999 286220783 /nfs/dbraw/zinc/22/07/83/286220783.db2.gz YHXDDJKGUNXNNU-UKRRQHHQSA-N 0 3 320.433 2.568 20 70 DFIDHN CC[C@H](CC(=O)NC[C@H](O)CN1CCCCC1)c1ccccc1 ZINC000160365428 425980350 /nfs/dbraw/zinc/98/03/50/425980350.db2.gz UNIPZXKZKJUATM-AEFFLSMTSA-N 0 3 318.461 2.533 20 70 DFIDHN CC[C@@H](N[C@@H]1CCc2nc(C)nn2C1)c1cccc(OC)c1 ZINC000160353492 425980641 /nfs/dbraw/zinc/98/06/41/425980641.db2.gz VRMOHRMMTFUXPP-GDBMZVCRSA-N 0 3 300.406 2.651 20 70 DFIDHN CC#CCN1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000160447259 425982898 /nfs/dbraw/zinc/98/28/98/425982898.db2.gz ILJVXXSACTXSOF-CQSZACIVSA-N 0 3 303.381 2.683 20 70 DFIDHN CC[C@H](N[C@@H]1CCc2nc(C)nn2C1)c1cccc([N+](=O)[O-])c1 ZINC000160494666 425984563 /nfs/dbraw/zinc/98/45/63/425984563.db2.gz PCXCOYCHSGDHNE-HIFRSBDPSA-N 0 3 315.377 2.550 20 70 DFIDHN C[C@@H](CNC(=O)c1c(F)cc(F)cc1F)N1CCC[C@@H](C)C1 ZINC000160543625 425986312 /nfs/dbraw/zinc/98/63/12/425986312.db2.gz ZHDNQQABMKOQEG-MNOVXSKESA-N 0 3 314.351 2.954 20 70 DFIDHN O=C(NCCN1CCCCC1)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000160568858 425987612 /nfs/dbraw/zinc/98/76/12/425987612.db2.gz NTXHINVBIMCARE-KBPBESRZSA-N 0 3 308.372 2.670 20 70 DFIDHN CC[C@H](C)CN(CC)[C@@H](C)C(=O)Nc1cccc(C(=O)NC)c1 ZINC000160581850 425988559 /nfs/dbraw/zinc/98/85/59/425988559.db2.gz VSFDOOGUJNKNCY-KBPBESRZSA-N 0 3 319.449 2.741 20 70 DFIDHN Cc1ccc(C[C@@H](NCC(=O)NCC(F)(F)F)C2CC2)cc1 ZINC000160632005 425991021 /nfs/dbraw/zinc/99/10/21/425991021.db2.gz MACNZICNYNKQKP-CQSZACIVSA-N 0 3 314.351 2.584 20 70 DFIDHN CN(C)Cc1cccc(CNC(=O)N2CCC3(CCC3)C2)c1 ZINC000160638271 425991076 /nfs/dbraw/zinc/99/10/76/425991076.db2.gz BFWXFGFZAHNEFR-UHFFFAOYSA-N 0 3 301.434 2.834 20 70 DFIDHN CC[C@@H](O)CCNC(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000160747123 425994177 /nfs/dbraw/zinc/99/41/77/425994177.db2.gz BVZOQTAULFGWDV-IAGOWNOFSA-N 0 3 321.465 2.530 20 70 DFIDHN CCN1CCC(NC(=O)Nc2ccn(CCC(C)C)n2)CC1 ZINC000161017291 426006050 /nfs/dbraw/zinc/00/60/50/426006050.db2.gz CLFAUPCVQHMCEZ-UHFFFAOYSA-N 0 3 307.442 2.535 20 70 DFIDHN C[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000160845489 425997759 /nfs/dbraw/zinc/99/77/59/425997759.db2.gz ZLWWJGNILDTPCI-RYRKJORJSA-N 0 3 316.445 2.534 20 70 DFIDHN CC[C@@H](NC[C@@H](C)N(C)Cc1ccccc1)c1cnn(C)c1 ZINC000160853293 425998677 /nfs/dbraw/zinc/99/86/77/425998677.db2.gz DYYFGGGPSALOGH-CRAIPNDOSA-N 0 3 300.450 2.981 20 70 DFIDHN CN(C)[C@@H](CNC(=O)c1ccnc(Cl)c1F)c1ccccc1 ZINC000160893414 426000874 /nfs/dbraw/zinc/00/08/74/426000874.db2.gz JZWDFSFXSSDKGZ-ZDUSSCGKSA-N 0 3 321.783 2.907 20 70 DFIDHN Cc1c(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)cnn1CC(C)C ZINC000160939362 426002769 /nfs/dbraw/zinc/00/27/69/426002769.db2.gz DSMIEFSESUHQIG-LSDHHAIUSA-N 0 3 320.481 2.698 20 70 DFIDHN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@@H](N)CC(C)C ZINC000159450949 425961144 /nfs/dbraw/zinc/96/11/44/425961144.db2.gz BXSGZCQVYWNJBU-UGFHNGPFSA-N 0 3 312.841 2.906 20 70 DFIDHN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1ccc(OC(F)F)c(F)c1 ZINC000159525409 425962177 /nfs/dbraw/zinc/96/21/77/425962177.db2.gz UMLCRYDNYLJFCB-MWLCHTKSSA-N 0 3 316.323 2.513 20 70 DFIDHN C[C@H]1CC[C@H](C(N)=O)CN1Cc1ccc(OC(F)F)c(F)c1 ZINC000159525285 425962467 /nfs/dbraw/zinc/96/24/67/425962467.db2.gz UMLCRYDNYLJFCB-ONGXEEELSA-N 0 3 316.323 2.513 20 70 DFIDHN CC(C)(C)c1nsc(NC2CCN(C[C@@H]3CCOC3)CC2)n1 ZINC000159554292 425963595 /nfs/dbraw/zinc/96/35/95/425963595.db2.gz HAUGDBWQSWNMPU-LBPRGKRZSA-N 0 3 324.494 2.748 20 70 DFIDHN CCCOc1ccc(CN2C[C@H](C(N)=O)CC[C@@H]2C)cc1OC ZINC000159633213 425964204 /nfs/dbraw/zinc/96/42/04/425964204.db2.gz SPDYYUBEVXSQNL-DZGCQCFKSA-N 0 3 320.433 2.570 20 70 DFIDHN CC(C)OCCCN1CCC(NC(=O)C2CCCCC2)CC1 ZINC000159745445 425966301 /nfs/dbraw/zinc/96/63/01/425966301.db2.gz OEWPZXZYGIGPPQ-UHFFFAOYSA-N 0 3 310.482 2.962 20 70 DFIDHN CCCCn1ncc(NC(=O)NC2CCN(CC)CC2)c1C ZINC000159747147 425966329 /nfs/dbraw/zinc/96/63/29/425966329.db2.gz ACXNZDYHMZKJNV-UHFFFAOYSA-N 0 3 307.442 2.597 20 70 DFIDHN CCN1CCCN(C(=O)NCC2(c3ccccc3C)CC2)CC1 ZINC000159803020 425968146 /nfs/dbraw/zinc/96/81/46/425968146.db2.gz WLKKJBULWHEMDS-UHFFFAOYSA-N 0 3 315.461 2.764 20 70 DFIDHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1ccc(Cl)cc1 ZINC000160012498 425973440 /nfs/dbraw/zinc/97/34/40/425973440.db2.gz YCGRHHOIGUWCCK-IOASZLSFSA-N 0 3 308.809 2.811 20 70 DFIDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000160215627 425976569 /nfs/dbraw/zinc/97/65/69/425976569.db2.gz UTRAODIJUMOPFZ-ZFWWWQNUSA-N 0 3 312.373 2.922 20 70 DFIDHN Cc1cncc(/C=C/C(=O)N(CCN(C)C)Cc2ccccc2)c1 ZINC000160186134 425976683 /nfs/dbraw/zinc/97/66/83/425976683.db2.gz HSWDYHAQNLELNG-MDZDMXLPSA-N 0 3 323.440 2.994 20 70 DFIDHN C[C@H]1C[C@H](NC(=O)N(C)C2CCC2)CN1Cc1ccccc1 ZINC000160332667 425979585 /nfs/dbraw/zinc/97/95/85/425979585.db2.gz ZUMWYEQMOMVZMY-HOCLYGCPSA-N 0 3 301.434 2.843 20 70 DFIDHN CCN(CC)CC(=O)N(Cc1ccccc1)CC1(O)CCCC1 ZINC000161231008 426013327 /nfs/dbraw/zinc/01/33/27/426013327.db2.gz XSQWDHZBXORMJV-UHFFFAOYSA-N 0 3 318.461 2.662 20 70 DFIDHN C[C@H](N[C@H]1CC(C)(C)OC1(C)C)C(=O)NCc1ccccc1 ZINC000161210827 426013655 /nfs/dbraw/zinc/01/36/55/426013655.db2.gz BMFPLUPDQIXJNP-ZFWWWQNUSA-N 0 3 304.434 2.627 20 70 DFIDHN C[C@@H](N[C@@H]1CC(C)(C)OC1(C)C)C(=O)NCc1ccccc1 ZINC000161210708 426013757 /nfs/dbraw/zinc/01/37/57/426013757.db2.gz BMFPLUPDQIXJNP-UKRRQHHQSA-N 0 3 304.434 2.627 20 70 DFIDHN CCCN(CCO)Cc1ccccc1OCc1ccccn1 ZINC000161213002 426014191 /nfs/dbraw/zinc/01/41/91/426014191.db2.gz VYDVUCZRQLMXDY-UHFFFAOYSA-N 0 3 300.402 2.865 20 70 DFIDHN CN(CCCc1cc(-c2ccccc2)n[nH]1)Cc1cnn(C)c1 ZINC000161241316 426015237 /nfs/dbraw/zinc/01/52/37/426015237.db2.gz OQHDROQPGXDMBD-UHFFFAOYSA-N 0 3 309.417 2.875 20 70 DFIDHN CCn1cnnc1[C@@H]1CCCN(CCOc2ccccc2)C1 ZINC000161329195 426018779 /nfs/dbraw/zinc/01/87/79/426018779.db2.gz YUAQKPDYAUXPDP-OAHLLOKOSA-N 0 3 300.406 2.556 20 70 DFIDHN CCc1ccc([C@H](CNC(=O)[C@@H]2CCCCO2)N(C)C)cc1 ZINC000161395703 426022032 /nfs/dbraw/zinc/02/20/32/426022032.db2.gz QJPBJEBPDDIRLF-IRXDYDNUSA-N 0 3 304.434 2.537 20 70 DFIDHN CSC[C@](C)(O)CNCc1ccc(F)c(Br)c1 ZINC000217864185 426565943 /nfs/dbraw/zinc/56/59/43/426565943.db2.gz BRSOMXBQRRJUHJ-GFCCVEGCSA-N 0 3 322.243 2.792 20 70 DFIDHN CS[C@@H](CO)[C@H](C)NCc1ccc(Br)c(F)c1 ZINC000217852241 426564489 /nfs/dbraw/zinc/56/44/89/426564489.db2.gz HKNCIAVATUCYMB-UFBFGSQYSA-N 0 3 322.243 2.790 20 70 DFIDHN Cc1nc2n(n1)C[C@H](N[C@H]1CCCOc3ccc(F)cc31)CC2 ZINC000160362744 279144108 /nfs/dbraw/zinc/14/41/08/279144108.db2.gz UCWOSBFLZRBKCF-HIFRSBDPSA-N 0 3 316.380 2.544 20 70 DFIDHN CN(CCN[C@H](CCO)c1ccccc1)Cc1ccc(F)cc1 ZINC000161436433 289675026 /nfs/dbraw/zinc/67/50/26/289675026.db2.gz NKMBDNWUWKAXMP-LJQANCHMSA-N 0 3 316.420 2.971 20 70 DFIDHN COc1ccc2c(c1)[C@@H](N[C@@H](CCO)CSC)CCCO2 ZINC000160174959 295272137 /nfs/dbraw/zinc/27/21/37/295272137.db2.gz FNOXJDRXVLRQJR-WFASDCNBSA-N 0 3 311.447 2.613 20 70 DFIDHN CCn1ccnc1CNC(C)(C)CN(C)Cc1ccccc1 ZINC000159380432 295375971 /nfs/dbraw/zinc/37/59/71/295375971.db2.gz OKRZRQDTXPLJFA-UHFFFAOYSA-N 0 3 300.450 2.903 20 70 DFIDHN Cc1ccc([C@H](CNC(=O)[C@H]2OCC[C@H]2C)N2CCCC2)cc1 ZINC000159572254 295378761 /nfs/dbraw/zinc/37/87/61/295378761.db2.gz DJBOTEIJDCUDAD-NJAFHUGGSA-N 0 3 316.445 2.673 20 70 DFIDHN CN(C)S(=O)(=O)c1cccc(CN2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000159644776 295379583 /nfs/dbraw/zinc/37/95/83/295379583.db2.gz QOUFSUBDJHNILS-RDJZCZTQSA-N 0 3 322.474 2.701 20 70 DFIDHN OCCN[C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000159691232 295380171 /nfs/dbraw/zinc/38/01/71/295380171.db2.gz MKBJYIBIFYFUBG-OAHLLOKOSA-N 0 3 321.218 2.710 20 70 DFIDHN CCN1CCCN(C(=O)NCCc2c(C)cc(C)cc2C)CC1 ZINC000159697146 295380212 /nfs/dbraw/zinc/38/02/12/295380212.db2.gz GULZSOCWEPAMEU-UHFFFAOYSA-N 0 3 317.477 2.892 20 70 DFIDHN O=C(CN1CC[C@@H]2CCCC[C@@H]21)NCCc1c(F)cccc1F ZINC000159721394 295380688 /nfs/dbraw/zinc/38/06/88/295380688.db2.gz LRZSPHADOOYLIX-GUYCJALGSA-N 0 3 322.399 2.888 20 70 DFIDHN COCCCN1CCC(NC(=O)C2CCC(C)(C)CC2)CC1 ZINC000159847808 295382478 /nfs/dbraw/zinc/38/24/78/295382478.db2.gz CGTCXSOQRWTXME-UHFFFAOYSA-N 0 3 310.482 2.820 20 70 DFIDHN CCN1CCC[C@@H]1CNC(=O)C1(c2ccc(C)c(OC)c2)CC1 ZINC000160067406 295386187 /nfs/dbraw/zinc/38/61/87/295386187.db2.gz QWGSYERNNPCQQS-MRXNPFEDSA-N 0 3 316.445 2.636 20 70 DFIDHN CN(C)CCN(C(=O)NCc1cccc(C#N)c1)C1CCCC1 ZINC000160147640 295387351 /nfs/dbraw/zinc/38/73/51/295387351.db2.gz ZOPCCUKWLXMZSL-UHFFFAOYSA-N 0 3 314.433 2.574 20 70 DFIDHN CCCCn1ncc(NC(=O)N(C)CCN2CCCC2)c1C ZINC000160157978 295387461 /nfs/dbraw/zinc/38/74/61/295387461.db2.gz IOWZBABDFIXOGL-UHFFFAOYSA-N 0 3 307.442 2.551 20 70 DFIDHN C[C@@H]1C[C@H](NC(=O)N(C)CC(F)F)CN1Cc1ccccc1 ZINC000160195573 295387727 /nfs/dbraw/zinc/38/77/27/295387727.db2.gz BMBNRNHSHYFOJC-OCCSQVGLSA-N 0 3 311.376 2.556 20 70 DFIDHN CSC[C@@H](CCO)N[C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000160251641 295388855 /nfs/dbraw/zinc/38/88/55/295388855.db2.gz CFUKYGHRNUZBNQ-GXTWGEPZSA-N 0 3 311.447 2.613 20 70 DFIDHN CC(C)CN1CCC[C@@H]1CNC(=O)CCC(=O)c1ccccc1 ZINC000160424338 295391042 /nfs/dbraw/zinc/39/10/42/295391042.db2.gz CNLVPUGIBXPJMO-QGZVFWFLSA-N 0 3 316.445 2.886 20 70 DFIDHN CC[C@@H](c1ccccc1)S(=O)(=O)C(C)C(=O)N(C)C(C)C ZINC000160450083 295391764 /nfs/dbraw/zinc/39/17/64/295391764.db2.gz QJNKKBIFAAZYLX-ZFWWWQNUSA-N 0 3 311.447 2.808 20 70 DFIDHN CC[C@@H](NCc1cn(C)nc1C)c1ccc2c(c1)OCCO2 ZINC000160678060 295394493 /nfs/dbraw/zinc/39/44/93/295394493.db2.gz TWFGSHCJLOAIPV-OAHLLOKOSA-N 0 3 301.390 2.741 20 70 DFIDHN CN(C)Cc1ccc(C(=O)Nc2cccc3c2OCCO3)cc1 ZINC000160745929 295395033 /nfs/dbraw/zinc/39/50/33/295395033.db2.gz HAVANPKPFMHYCT-UHFFFAOYSA-N 0 3 312.369 2.772 20 70 DFIDHN CCC[C@H](C(=O)NCCCn1ccc2ccccc21)N(C)C ZINC000161253247 295400602 /nfs/dbraw/zinc/40/06/02/295400602.db2.gz VVSCOJOEZFBCFM-QGZVFWFLSA-N 0 3 301.434 2.878 20 70 DFIDHN CCC[C@H](C(=O)NCc1ccccc1OC(F)(F)F)N(C)C ZINC000161347845 295401892 /nfs/dbraw/zinc/40/18/92/295401892.db2.gz IQCKYRQKBNIWEY-GFCCVEGCSA-N 0 3 318.339 2.932 20 70 DFIDHN CCOc1ccccc1[C@H](C)N[C@@H]1CCc2nc(C)nn2C1 ZINC000160527131 521584167 /nfs/dbraw/zinc/58/41/67/521584167.db2.gz WNARQSYWUCYUSS-GXTWGEPZSA-N 0 3 300.406 2.651 20 70 DFIDHN Cc1nc2n(n1)C[C@@H](N[C@H]1CCSc3ccccc31)CC2 ZINC000160378433 527195799 /nfs/dbraw/zinc/19/57/99/527195799.db2.gz ZZXBIIDWDDWVSZ-JSGCOSHPSA-N 0 3 300.431 2.728 20 70 DFIDHN Cc1nc2n(n1)C[C@@H](N[C@H](C)c1cc(F)c(F)c(F)c1)CC2 ZINC000160426159 282118787 /nfs/dbraw/zinc/11/87/87/282118787.db2.gz LQVIUMHLGLIBPK-KCJUWKMLSA-N 0 3 310.323 2.669 20 70 DFIDHN Cc1nc2n(n1)C[C@H](N[C@H]1CC3(CCC3)Oc3ccccc31)CC2 ZINC000160472171 282127732 /nfs/dbraw/zinc/12/77/32/282127732.db2.gz IILVGCKPJMKGFY-ZBFHGGJFSA-N 0 3 324.428 2.937 20 70 DFIDHN CCC[C@H](C(=O)N[C@@H]1CCCN(c2ccccc2)C1)N(C)C ZINC000159603622 186130390 /nfs/dbraw/zinc/13/03/90/186130390.db2.gz WXRWHUZHFGYSRP-NVXWUHKLSA-N 0 3 303.450 2.502 20 70 DFIDHN C[C@@H](c1ccc(F)cc1)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159690118 186135730 /nfs/dbraw/zinc/13/57/30/186135730.db2.gz RSVMPBBCMCOARO-LBPRGKRZSA-N 0 3 319.336 2.589 20 70 DFIDHN C[C@H]1C[C@@H](NC(=O)N2CCc3cccc(F)c3C2)CN1C1CC1 ZINC000159853811 291074741 /nfs/dbraw/zinc/07/47/41/291074741.db2.gz HSADCIVJNXUMCV-GXTWGEPZSA-N 0 3 317.408 2.519 20 70 DFIDHN NC1(C(=O)N2CCc3ccc(Br)cc32)CCCCC1 ZINC000159996342 283399253 /nfs/dbraw/zinc/39/92/53/283399253.db2.gz HVLLQCBAZUWWBR-UHFFFAOYSA-N 0 3 323.234 3.000 20 70 DFIDHN COc1cccc(CN(C)C(=O)CN2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000160560813 398971524 /nfs/dbraw/zinc/97/15/24/398971524.db2.gz DQKIDKPLIPBDKM-WMZOPIPTSA-N 0 3 316.445 2.918 20 70 DFIDHN C[C@H](c1cccc(O)c1)N(C)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160628552 398971571 /nfs/dbraw/zinc/97/15/71/398971571.db2.gz CGFCGDGIWHMYNA-CZUORRHYSA-N 0 3 317.433 2.579 20 70 DFIDHN Cc1nc2n(n1)C[C@@H](N[C@H]1CCSc3ccc(F)cc31)CC2 ZINC000160301782 197398956 /nfs/dbraw/zinc/39/89/56/197398956.db2.gz UARLLJPOBKSWQP-JSGCOSHPSA-N 0 3 318.421 2.867 20 70 DFIDHN COc1cccc(Cl)c1CC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000160138376 197388854 /nfs/dbraw/zinc/38/88/54/197388854.db2.gz MYMVMTJDFMYUTM-QWHCGFSZSA-N 0 3 324.852 2.832 20 70 DFIDHN C[C@@H](NC[C@H](C)N1CCc2sccc2C1)c1cnn(C)c1 ZINC000159860781 197368970 /nfs/dbraw/zinc/36/89/70/197368970.db2.gz WSWUGAVUVNNGNV-QWHCGFSZSA-N 0 3 304.463 2.579 20 70 DFIDHN CCCn1ccc2ccc(NC(=O)CNC[C@@H]3CCCO3)cc21 ZINC000159851976 197368747 /nfs/dbraw/zinc/36/87/47/197368747.db2.gz LDXWUPOBYRFHHX-INIZCTEOSA-N 0 3 315.417 2.758 20 70 DFIDHN COc1cccc(CNC(=O)[C@@H](N)C(C)C)c1OC1CCCC1 ZINC000159857910 197368840 /nfs/dbraw/zinc/36/88/40/197368840.db2.gz CLAFDARMJOVRNM-INIZCTEOSA-N 0 3 320.433 2.616 20 70 DFIDHN CCc1nc([C@@H](C)NC(=O)N2CCCN(CC)CC2)cs1 ZINC000159849033 197367927 /nfs/dbraw/zinc/36/79/27/197367927.db2.gz PSMANIMOJXAVFP-GFCCVEGCSA-N 0 3 310.467 2.504 20 70 DFIDHN COc1ccc2oc(CN3CCC(CC(N)=O)CC3)cc2c1 ZINC000159843263 197367784 /nfs/dbraw/zinc/36/77/84/197367784.db2.gz OVOJWNCSQXKKRI-UHFFFAOYSA-N 0 3 302.374 2.529 20 70 DFIDHN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@@H]1CCCCN1 ZINC000159453992 197354868 /nfs/dbraw/zinc/35/48/68/197354868.db2.gz JBLDMXWNOOBQAF-CQDKDKBSSA-N 0 3 310.825 2.674 20 70 DFIDHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ccnc(C)c1Cl ZINC000159362449 542717375 /nfs/dbraw/zinc/71/73/75/542717375.db2.gz KRHXWQRLUINDTI-LBPRGKRZSA-N 0 3 310.829 2.991 20 70 DFIDHN Brc1ccc(CN[C@H]2CCOC2)c2ncccc12 ZINC000160336663 542723198 /nfs/dbraw/zinc/72/31/98/542723198.db2.gz QRAHDHCBQTUVKA-NSHDSACASA-N 0 3 307.191 2.876 20 70 DFIDHN Cc1ccc(CCNC(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)cc1 ZINC000217224337 542876329 /nfs/dbraw/zinc/87/63/29/542876329.db2.gz FFINYJJECQWTQB-IAGOWNOFSA-N 0 3 317.477 2.957 20 70 DFIDHN Cc1ccc(CCNC(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)cc1 ZINC000217225148 542876387 /nfs/dbraw/zinc/87/63/87/542876387.db2.gz SETBDDVVRKQRNR-SJORKVTESA-N 0 3 317.477 2.957 20 70 DFIDHN C[C@@H]1CN(C(=O)CN2CCC[C@@H](C(C)(C)C)CC2)C[C@H](C)O1 ZINC000217223284 542876418 /nfs/dbraw/zinc/87/64/18/542876418.db2.gz DOJYRIHQHVLUSY-OWCLPIDISA-N 0 3 310.482 2.770 20 70 DFIDHN Cc1ccc(SCCN(C)CCN2CCOCC2)cc1C ZINC000217198118 542876684 /nfs/dbraw/zinc/87/66/84/542876684.db2.gz RPNRSEKVUSPJCZ-UHFFFAOYSA-N 0 3 308.491 2.660 20 70 DFIDHN C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)N1CCC[C@@H](C)C1 ZINC000218674416 542878983 /nfs/dbraw/zinc/87/89/83/542878983.db2.gz LNBCLTIOLNBQQJ-YCPHGPKFSA-N 0 3 302.418 2.747 20 70 DFIDHN C[C@@H](N[C@@H]1CCCN(c2ccccc2C#N)C1)c1cnn(C)c1 ZINC000159479187 145219760 /nfs/dbraw/zinc/21/97/60/145219760.db2.gz INEFRRHOVBCRRB-RHSMWYFYSA-N 0 3 309.417 2.611 20 70 DFIDHN O=C(NCCN1CCCCC1)NCC1(c2cccc(F)c2)CC1 ZINC000160797002 145221781 /nfs/dbraw/zinc/22/17/81/145221781.db2.gz BDZFDPCULNAFAJ-UHFFFAOYSA-N 0 3 319.424 2.642 20 70 DFIDHN C[C@@H](NCc1nccn1C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218249335 268139568 /nfs/dbraw/zinc/13/95/68/268139568.db2.gz CQANBHTVVFFUGW-ZIAGYGMSSA-N 0 3 322.453 2.545 20 70 DFIDHN Cc1nc2n(n1)C[C@H](N[C@@H](C)c1cccc(OC(F)F)c1)CC2 ZINC000160419688 425981762 /nfs/dbraw/zinc/98/17/62/425981762.db2.gz NVUXVCRGEYBJOO-GXFFZTMASA-N 0 3 322.359 2.854 20 70 DFIDHN CCOc1ccccc1[C@H](C)N[C@H]1CCc2nc(C)nn2C1 ZINC000160527392 425985414 /nfs/dbraw/zinc/98/54/14/425985414.db2.gz WNARQSYWUCYUSS-JSGCOSHPSA-N 0 3 300.406 2.651 20 70 DFIDHN C[C@@H](C(=O)NC1CCCC1)N1CCN(CCC2CCCC2)CC1 ZINC000160577219 425988374 /nfs/dbraw/zinc/98/83/74/425988374.db2.gz JFACCGZSXPNNEK-INIZCTEOSA-N 0 3 321.509 2.632 20 70 DFIDHN O=C(CN1CC[C@@]2(O)CCCC[C@@H]2C1)N(C1CC1)C1CCCC1 ZINC000160916211 426001884 /nfs/dbraw/zinc/00/18/84/426001884.db2.gz VBBUTDRVWSXBKD-BEFAXECRSA-N 0 3 320.477 2.547 20 70 DFIDHN COc1ccc(CNC(=O)CN[C@@H](C)CSC(C)(C)C)cc1 ZINC000160984369 426004223 /nfs/dbraw/zinc/00/42/23/426004223.db2.gz ZLNZXSLXQUWQIO-ZDUSSCGKSA-N 0 3 324.490 2.821 20 70 DFIDHN CC(C)(C)[C@H](N)C(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC000159414833 425960326 /nfs/dbraw/zinc/96/03/26/425960326.db2.gz LIWLAYWHAVBQPY-MRXNPFEDSA-N 0 3 320.433 2.804 20 70 DFIDHN CCCCN(C)CCNC(=O)N(C)[C@@H](CC)c1ccncc1 ZINC000159813209 425967995 /nfs/dbraw/zinc/96/79/95/425967995.db2.gz BFACYYJCORNCCD-INIZCTEOSA-N 0 3 306.454 2.906 20 70 DFIDHN C[C@@H](C(=O)N[C@H]1CCOC2(CCCC2)C1)N1CCCCCC1 ZINC000159889266 425969829 /nfs/dbraw/zinc/96/98/29/425969829.db2.gz ZRDFYBYHNYJTIW-HOTGVXAUSA-N 0 3 308.466 2.859 20 70 DFIDHN CCN1CCCN(C(=O)N[C@@H](C)c2ccc(C)c(F)c2)CC1 ZINC000159968825 425971589 /nfs/dbraw/zinc/97/15/89/425971589.db2.gz ZMKOBIMBYRMOQF-AWEZNQCLSA-N 0 3 307.413 2.932 20 70 DFIDHN CCS[C@H]1CCCC[C@@H]1NC(=O)N1CCCN(CC)CC1 ZINC000159954725 425971777 /nfs/dbraw/zinc/97/17/77/425971777.db2.gz WJLAIFYYIAYTFG-GJZGRUSLSA-N 0 3 313.511 2.788 20 70 DFIDHN CCCS(=O)(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000160018563 425973292 /nfs/dbraw/zinc/97/32/92/425973292.db2.gz DXIORVWYKARHHM-NVXWUHKLSA-N 0 3 324.490 2.711 20 70 DFIDHN O=C(NCCCO[C@@H]1CCCc2ccccc21)[C@H]1CCCCN1 ZINC000160123797 425975362 /nfs/dbraw/zinc/97/53/62/425975362.db2.gz RBFWDJWNWYUIIO-QZTJIDSGSA-N 0 3 316.445 2.729 20 70 DFIDHN CC(C)OC(=O)[C@H](C)N(C)CCN(C)Cc1ccc(F)cc1 ZINC000160178667 425976432 /nfs/dbraw/zinc/97/64/32/425976432.db2.gz BRAVETFSKIWMEK-AWEZNQCLSA-N 0 3 310.413 2.529 20 70 DFIDHN O=C(NCc1ccccc1CN1CCCCC1)[C@H]1CCCCO1 ZINC000160273060 425978278 /nfs/dbraw/zinc/97/82/78/425978278.db2.gz VMBVZDYUXFQOJS-GOSISDBHSA-N 0 3 316.445 2.858 20 70 DFIDHN CC1CCN(CCSc2nnc(-c3ccco3)n2C)CC1 ZINC000161487201 426026167 /nfs/dbraw/zinc/02/61/67/426026167.db2.gz XVTMGXKWJRSWSJ-UHFFFAOYSA-N 0 3 306.435 2.899 20 70 DFIDHN CSCC[C@@H](N)C(=O)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000161072169 426007567 /nfs/dbraw/zinc/00/75/67/426007567.db2.gz OWSWCDHOCJKEOP-GFCCVEGCSA-N 0 3 310.467 2.866 20 70 DFIDHN CC(C)[C@@H](C(=O)N1CCC(OCc2ccccc2)CC1)N(C)C ZINC000161148943 426009939 /nfs/dbraw/zinc/00/99/39/426009939.db2.gz VPTZMFXWGSKFNH-SFHVURJKSA-N 0 3 318.461 2.780 20 70 DFIDHN CCC[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)N(C)C ZINC000161281871 426017303 /nfs/dbraw/zinc/01/73/03/426017303.db2.gz RNGFXLRSAORJNO-ZDUSSCGKSA-N 0 3 305.447 2.985 20 70 DFIDHN CC(C)CCn1ccc(NC(=O)N(C)C[C@H]2CCCN(C)C2)n1 ZINC000161341566 426019903 /nfs/dbraw/zinc/01/99/03/426019903.db2.gz TUQTXGSSWWWBNB-HNNXBMFYSA-N 0 3 321.469 2.735 20 70 DFIDHN CCC(CC)c1cc(C(=O)NC[C@@H]2CCN(C3CC3)C2)on1 ZINC000161331516 426020087 /nfs/dbraw/zinc/02/00/87/426020087.db2.gz VFAVVEWWJUJXJM-LBPRGKRZSA-N 0 3 305.422 2.792 20 70 DFIDHN CSC[C@@](C)(O)CNCc1ccc(F)c(Br)c1 ZINC000217864106 426565291 /nfs/dbraw/zinc/56/52/91/426565291.db2.gz BRSOMXBQRRJUHJ-LBPRGKRZSA-N 0 3 322.243 2.792 20 70 DFIDHN C[C@H](NCc1cc[nH]n1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218177364 426565986 /nfs/dbraw/zinc/56/59/86/426565986.db2.gz LNHRVRYAKFAROO-STQMWFEESA-N 0 3 308.426 2.535 20 70 DFIDHN C[C@H](NCc1c[nH]cn1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218177037 426566114 /nfs/dbraw/zinc/56/61/14/426566114.db2.gz JUVNBVUCISQGSU-STQMWFEESA-N 0 3 308.426 2.535 20 70 DFIDHN C[C@@H](NCc1ncc[nH]1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218249159 426568279 /nfs/dbraw/zinc/56/82/79/426568279.db2.gz LGUUGDGPLJCSKU-OLZOCXBDSA-N 0 3 308.426 2.535 20 70 DFIDHN C[C@H](NCc1ncc[nH]1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218249251 426568530 /nfs/dbraw/zinc/56/85/30/426568530.db2.gz LGUUGDGPLJCSKU-STQMWFEESA-N 0 3 308.426 2.535 20 70 DFIDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1nccn(C2CC2)c1=O ZINC000160211746 271079768 /nfs/dbraw/zinc/07/97/68/271079768.db2.gz PSBFNJOKWNRDRM-PBHICJAKSA-N 0 3 324.428 2.511 20 70 DFIDHN CSCC[C@@H](N)C(=O)N1CC2(CCCC2)c2ccccc21 ZINC000161014319 274176366 /nfs/dbraw/zinc/17/63/66/274176366.db2.gz IWXJKCXTYRVMMX-CQSZACIVSA-N 0 3 304.459 2.925 20 70 DFIDHN CCS[C@H]1CCCCN(C(=O)[C@H](N)Cc2ccccc2)C1 ZINC000159765370 276399696 /nfs/dbraw/zinc/39/96/96/276399696.db2.gz DWPDSXJIPMUSQX-JKSUJKDBSA-N 0 3 306.475 2.691 20 70 DFIDHN CCc1c(C)nc2ccccc2c1N1CCS(=O)(=O)[C@H](C)C1 ZINC000160754835 276682823 /nfs/dbraw/zinc/68/28/23/276682823.db2.gz BQTHTDMYKVHILO-GFCCVEGCSA-N 0 3 318.442 2.729 20 70 DFIDHN CCc1nc2c(s1)[C@H](N[C@H]1CCc3nc(C)nn3C1)CCC2 ZINC000160443999 276692843 /nfs/dbraw/zinc/69/28/43/276692843.db2.gz BOOFKMIJHYGRFX-NWDGAFQWSA-N 0 3 317.462 2.587 20 70 DFIDHN COc1ccc2c(c1)[C@@H](N[C@H](CCO)CSC)CCCO2 ZINC000160175167 295272475 /nfs/dbraw/zinc/27/24/75/295272475.db2.gz FNOXJDRXVLRQJR-DOMZBBRYSA-N 0 3 311.447 2.613 20 70 DFIDHN C[C@@H]1CCO[C@@H]1C(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC000159484995 295377440 /nfs/dbraw/zinc/37/74/40/295377440.db2.gz YNVTZRSZUSRTDU-CJNGLKHVSA-N 0 3 324.852 2.655 20 70 DFIDHN Cc1noc(C)c1CNc1ccc(OC2CCN(C)CC2)nc1 ZINC000160140540 295386878 /nfs/dbraw/zinc/38/68/78/295386878.db2.gz OHDYMXJDSHPIHH-UHFFFAOYSA-N 0 3 316.405 2.772 20 70 DFIDHN CCN(C)CCNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000160148143 295387355 /nfs/dbraw/zinc/38/73/55/295387355.db2.gz XRQACKIDENZWSO-UHFFFAOYSA-N 0 3 322.412 2.983 20 70 DFIDHN COc1ccc(C[C@@H](C)C(=O)N[C@@H](CC(C)C)CN(C)C)cc1 ZINC000160250803 295388736 /nfs/dbraw/zinc/38/87/36/295388736.db2.gz YQJWAQGZTLIYAU-WBVHZDCISA-N 0 3 320.477 2.966 20 70 DFIDHN CSC[C@H](CCO)N[C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000160251381 295388802 /nfs/dbraw/zinc/38/88/02/295388802.db2.gz CFUKYGHRNUZBNQ-JSGCOSHPSA-N 0 3 311.447 2.613 20 70 DFIDHN C[C@H](C(=O)N(C)c1ccc2c(c1)OCO2)N1CCCCCC1 ZINC000160350803 295390128 /nfs/dbraw/zinc/39/01/28/295390128.db2.gz SICQNYJURQAKLH-CYBMUJFWSA-N 0 3 304.390 2.643 20 70 DFIDHN CCOC[C@@H](C)NCc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000160320614 520075444 /nfs/dbraw/zinc/07/54/44/520075444.db2.gz NCRBLQCNTSRSIQ-BRWVUGGUSA-N 0 3 320.477 2.810 20 70 DFIDHN CN(C)[C@@H]1CCN(C(=O)NCc2cccc(-c3ccccn3)c2)C1 ZINC000160354667 522053460 /nfs/dbraw/zinc/05/34/60/522053460.db2.gz RBEXUILWQGERHR-QGZVFWFLSA-N 0 3 324.428 2.594 20 70 DFIDHN Cc1n[nH]c(C)c1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000160207551 526493330 /nfs/dbraw/zinc/49/33/30/526493330.db2.gz WUNFTUSHYDASMQ-MRXNPFEDSA-N 0 3 315.417 2.913 20 70 DFIDHN CC(C)C[N@@H+]1CC[C@H](CNC(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000159563247 535135850 /nfs/dbraw/zinc/13/58/50/535135850.db2.gz QXCITWYESZXKNO-CYBMUJFWSA-N 0 3 324.852 2.682 20 70 DFIDHN CC(C)C[N@H+]1CC[C@H](CNC(=O)Cc2ccc([O-])cc2Cl)C1 ZINC000159563247 535135852 /nfs/dbraw/zinc/13/58/52/535135852.db2.gz QXCITWYESZXKNO-CYBMUJFWSA-N 0 3 324.852 2.682 20 70 DFIDHN CCN1CCCN(C(=O)N[C@@H](C)c2cc(C)ccc2OC)CC1 ZINC000159555856 186126749 /nfs/dbraw/zinc/12/67/49/186126749.db2.gz SHCDEFUWGUQNJM-HNNXBMFYSA-N 0 3 319.449 2.802 20 70 DFIDHN CCC(CC)(CNCC(=O)Nc1ccc(C)cc1C)C(=O)OC ZINC000159685714 186135315 /nfs/dbraw/zinc/13/53/15/186135315.db2.gz DACPEGACVYBJFW-UHFFFAOYSA-N 0 3 320.433 2.811 20 70 DFIDHN CSCC[C@@H](N)C(=O)NCC1(Sc2ccccc2)CC1 ZINC000159705191 186137051 /nfs/dbraw/zinc/13/70/51/186137051.db2.gz PDXQXFGREGYGTE-CYBMUJFWSA-N 0 3 310.488 2.508 20 70 DFIDHN CN(C(=O)CN1CC[C@@H]2CCCC[C@@H]21)C1(C#N)CCCCC1 ZINC000159631121 398964657 /nfs/dbraw/zinc/96/46/57/398964657.db2.gz RGENRKHPJCIWCX-HOTGVXAUSA-N 0 3 303.450 2.936 20 70 DFIDHN C[C@@H](Cc1ccccc1F)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000159494327 398964810 /nfs/dbraw/zinc/96/48/10/398964810.db2.gz KCCBBIYFNSMMES-XJKSGUPXSA-N 0 3 304.409 2.605 20 70 DFIDHN Cc1csc2nc(CN3CC[C@@H]4CCCC[C@@H]43)cc(=O)n12 ZINC000159643291 398966319 /nfs/dbraw/zinc/96/63/19/398966319.db2.gz VHMLNYZCTAYHKD-JSGCOSHPSA-N 0 3 303.431 2.829 20 70 DFIDHN COC(=O)c1cccc(NC(=O)CN2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000159634080 398965221 /nfs/dbraw/zinc/96/52/21/398965221.db2.gz FNCGERBCEKLYIZ-BBRMVZONSA-N 0 3 316.401 2.676 20 70 DFIDHN COCc1ccccc1CNC(=O)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000159731257 398966628 /nfs/dbraw/zinc/96/66/28/398966628.db2.gz NDTYKDPDCSPNTC-YJBOKZPZSA-N 0 3 316.445 2.714 20 70 DFIDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1cc(Cl)nc(N)n1 ZINC000160244388 197394980 /nfs/dbraw/zinc/39/49/80/197394980.db2.gz NRJDDLGXWVHTND-AAEUAGOBSA-N 0 3 317.824 2.645 20 70 DFIDHN CCSCCN1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000160230175 197393966 /nfs/dbraw/zinc/39/39/66/197393966.db2.gz XMTMXJSOEFLICC-CQSZACIVSA-N 0 3 311.426 2.775 20 70 DFIDHN COc1cccc(Cl)c1CC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000160137654 197388014 /nfs/dbraw/zinc/38/80/14/197388014.db2.gz GAJJDOIWXZLWNW-DOMZBBRYSA-N 0 3 324.852 2.690 20 70 DFIDHN CC[C@@H](NCCN(C)Cc1ccc(F)cc1)c1cnn(C)c1 ZINC000160110124 197386373 /nfs/dbraw/zinc/38/63/73/197386373.db2.gz CZQVBSQDWATATK-QGZVFWFLSA-N 0 3 304.413 2.732 20 70 DFIDHN COc1ccc(OC)c(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159488627 197358247 /nfs/dbraw/zinc/35/82/47/197358247.db2.gz VIVGVJRZWRQZIF-UAGQMJEPSA-N 0 3 303.402 2.751 20 70 DFIDHN CSCC[C@@H](N)C(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000161294719 295600385 /nfs/dbraw/zinc/60/03/85/295600385.db2.gz RTPUWOJNHITMQX-IJEWVQPXSA-N 0 3 306.475 2.780 20 70 DFIDHN CSCC[C@@H](N)C(=O)N1C[C@H](c2ccccc2C)C[C@H]1C ZINC000161294601 295600406 /nfs/dbraw/zinc/60/04/06/295600406.db2.gz RTPUWOJNHITMQX-IIAWOOMASA-N 0 3 306.475 2.780 20 70 DFIDHN COCCN(C)CCN[C@H]1CCCOc2cc(C)c(C)cc21 ZINC000159371020 284959587 /nfs/dbraw/zinc/95/95/87/284959587.db2.gz DWJOKHDAZXAGNF-KRWDZBQOSA-N 0 3 306.450 2.685 20 70 DFIDHN CC[C@H](C(=O)Nc1cnn(CCN(C)C)c1)c1ccc(F)cc1 ZINC000159681151 542719603 /nfs/dbraw/zinc/71/96/03/542719603.db2.gz ILFGDYHWTGSXKK-INIZCTEOSA-N 0 3 318.396 2.716 20 70 DFIDHN CC(C)OCCNC[C@H](O)COc1ccc(Cl)cc1Cl ZINC000160202624 542721763 /nfs/dbraw/zinc/72/17/63/542721763.db2.gz BVBNAIKNXNEKLJ-LBPRGKRZSA-N 0 3 322.232 2.748 20 70 DFIDHN Cc1ccc(CCNC(=O)N[C@H](C)CN2CCC[C@@H](C)C2)cc1 ZINC000217225153 542876373 /nfs/dbraw/zinc/87/63/73/542876373.db2.gz SETBDDVVRKQRNR-IAGOWNOFSA-N 0 3 317.477 2.957 20 70 DFIDHN C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1C[C@H](C)C[C@H](C)C1 ZINC000218675646 542878607 /nfs/dbraw/zinc/87/86/07/542878607.db2.gz MCRJECRGQHMNEV-JYYAWHABSA-N 0 3 316.445 2.993 20 70 DFIDHN C[C@H](N[C@H]1CCCN(c2ccccc2C#N)C1)c1cnn(C)c1 ZINC000159479322 145219679 /nfs/dbraw/zinc/21/96/79/145219679.db2.gz INEFRRHOVBCRRB-YOEHRIQHSA-N 0 3 309.417 2.611 20 70 DFIDHN CCn1cc(C2CCN(Cc3c(C)nn(C)c3C)CC2)cn1 ZINC000160466446 145220517 /nfs/dbraw/zinc/22/05/17/145220517.db2.gz DYMLWSPYTSEEKK-UHFFFAOYSA-N 0 3 301.438 2.633 20 70 DFIDHN CSC[C@](C)(O)CNCc1cccc(OC(F)(F)F)c1 ZINC000217863219 146000374 /nfs/dbraw/zinc/00/03/74/146000374.db2.gz IBRIYUYITCQTDU-GFCCVEGCSA-N 0 3 309.353 2.789 20 70 DFIDHN COCC(C)(C)C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000160382732 425980382 /nfs/dbraw/zinc/98/03/82/425980382.db2.gz HYQBLKHAFBCKFF-MRXNPFEDSA-N 0 3 304.434 2.612 20 70 DFIDHN CC(C)(C)c1ccc(C(=O)NC[C@H](O)CN2CCCCC2)cc1 ZINC000160405515 425981723 /nfs/dbraw/zinc/98/17/23/425981723.db2.gz PNCFWTNLCAEXFO-KRWDZBQOSA-N 0 3 318.461 2.561 20 70 DFIDHN FC(F)(F)c1ccnc(N2CCC[C@H]2CN2CCCCC2)n1 ZINC000160453875 425982649 /nfs/dbraw/zinc/98/26/49/425982649.db2.gz QQJWGCDEVQESMS-LBPRGKRZSA-N 0 3 314.355 2.950 20 70 DFIDHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)[C@@H]1CCCCO1 ZINC000160448530 425983142 /nfs/dbraw/zinc/98/31/42/425983142.db2.gz UOGONFMXCYLKJK-NJAFHUGGSA-N 0 3 314.429 2.698 20 70 DFIDHN C[C@@H](CCC(=O)NCCCN1CCC(O)CC1)c1ccccc1 ZINC000160434269 425983206 /nfs/dbraw/zinc/98/32/06/425983206.db2.gz YUABCNHWMRMMKF-INIZCTEOSA-N 0 3 318.461 2.533 20 70 DFIDHN Cc1nc2n(n1)C[C@@H](N[C@H](C)c1cnc3ccsc3c1)CC2 ZINC000160507909 425985741 /nfs/dbraw/zinc/98/57/41/425985741.db2.gz ZLTPDOWZBRPDQL-MFKMUULPSA-N 0 3 313.430 2.862 20 70 DFIDHN O=C(Nc1nc2ccccc2n1C1CCCC1)[C@]1(F)CCNC1 ZINC000160532215 425986507 /nfs/dbraw/zinc/98/65/07/425986507.db2.gz AJOKGSWLJLWUBO-KRWDZBQOSA-N 0 3 316.380 2.792 20 70 DFIDHN O=C(CN[C@@H]1CCC[C@@H]1c1ccccc1)NCC(F)(F)F ZINC000160556527 425987392 /nfs/dbraw/zinc/98/73/92/425987392.db2.gz JCWMOYHGLNGYJG-CHWSQXEVSA-N 0 3 300.324 2.591 20 70 DFIDHN C[C@H](C(=O)N(C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[C@@H](N)c1ccccc1 ZINC000160563299 425987752 /nfs/dbraw/zinc/98/77/52/425987752.db2.gz DQOPGDPWWNUUHY-RDDKANTKSA-N 0 3 316.445 2.594 20 70 DFIDHN Cc1noc(C)c1[C@H](C)CC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 ZINC000160772105 425995303 /nfs/dbraw/zinc/99/53/03/425995303.db2.gz CGLRNHUXXMAJIP-KCXAZCMYSA-N 0 3 319.449 2.728 20 70 DFIDHN Cc1nc(-c2ccsc2)ccc1C(=O)N1CCCNCC1 ZINC000160821333 425998112 /nfs/dbraw/zinc/99/81/12/425998112.db2.gz GSUPBKYFMMECSV-UHFFFAOYSA-N 0 3 301.415 2.554 20 70 DFIDHN CC[C@H](NC[C@@H](C)N(C)Cc1ccccc1)c1cnn(C)c1 ZINC000160853153 425998410 /nfs/dbraw/zinc/99/84/10/425998410.db2.gz DYYFGGGPSALOGH-QAPCUYQASA-N 0 3 300.450 2.981 20 70 DFIDHN C[C@@H](CN[C@@H]1CCCc2c1cnn2C)N(C)Cc1ccccc1 ZINC000160893727 426000675 /nfs/dbraw/zinc/00/06/75/426000675.db2.gz AYCPYLROKHEHHB-MAUKXSAKSA-N 0 3 312.461 2.908 20 70 DFIDHN Cc1c(CN[C@H](C)c2ccc(N3CCCC3=O)cc2)cnn1C ZINC000161037126 426006241 /nfs/dbraw/zinc/00/62/41/426006241.db2.gz PSGDECNUTYAPAW-CYBMUJFWSA-N 0 3 312.417 2.706 20 70 DFIDHN CC[C@@H](C(=O)Nc1ccn(CCN(C)C)n1)c1ccc(F)cc1 ZINC000159549214 425962865 /nfs/dbraw/zinc/96/28/65/425962865.db2.gz IRPUXALARKCBDP-OAHLLOKOSA-N 0 3 318.396 2.716 20 70 DFIDHN CC[C@H]1CN(CC2CCN(C(=O)C(C)(C)C)CC2)C[C@H](C)O1 ZINC000159616977 425964601 /nfs/dbraw/zinc/96/46/01/425964601.db2.gz XBQHPMVVKSKWGH-HOCLYGCPSA-N 0 3 310.482 2.770 20 70 DFIDHN COc1ccc2ccccc2c1CN1CCC(CC(N)=O)CC1 ZINC000159732562 425967173 /nfs/dbraw/zinc/96/71/73/425967173.db2.gz YJRXTHGOAIIARU-UHFFFAOYSA-N 0 3 312.413 2.936 20 70 DFIDHN NC(=O)CC1CCN(Cc2ccccc2OCC2CC2)CC1 ZINC000159815146 425968134 /nfs/dbraw/zinc/96/81/34/425968134.db2.gz DVFFCAIKQBWBPO-UHFFFAOYSA-N 0 3 302.418 2.563 20 70 DFIDHN CC(=O)N1CC[C@H](N[C@@H](C)c2cccc(Br)c2)C1 ZINC000159815270 425968315 /nfs/dbraw/zinc/96/83/15/425968315.db2.gz YCZZNFLWZWRVDW-HZMBPMFUSA-N 0 3 311.223 2.721 20 70 DFIDHN CCCN1CCCN(C(=O)[C@@H](C)Cc2ccccc2F)CC1 ZINC000159929725 425970190 /nfs/dbraw/zinc/97/01/90/425970190.db2.gz PXYPHJQYIZGCAQ-HNNXBMFYSA-N 0 3 306.425 2.949 20 70 DFIDHN C#CCCCCNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000160310838 425977444 /nfs/dbraw/zinc/97/74/44/425977444.db2.gz BKBFNLLMQKACSQ-SFHVURJKSA-N 0 3 313.445 2.926 20 70 DFIDHN CCn1cnnc1[C@@H]1CCCN(CCOc2ccccc2C)C1 ZINC000161424740 426023120 /nfs/dbraw/zinc/02/31/20/426023120.db2.gz PFQMIAUDATYPHI-MRXNPFEDSA-N 0 3 314.433 2.865 20 70 DFIDHN Cc1ccc(-c2n[nH]c(NC(=O)CN3CCC(C)CC3)c2C)o1 ZINC000161410962 426023268 /nfs/dbraw/zinc/02/32/68/426023268.db2.gz VZOWOYYKUIJNDZ-UHFFFAOYSA-N 0 3 316.405 2.957 20 70 DFIDHN Cc1c(CN[C@@H](C)c2ccc(N3CCCC3=O)cc2)cnn1C ZINC000161037003 426006366 /nfs/dbraw/zinc/00/63/66/426006366.db2.gz PSGDECNUTYAPAW-ZDUSSCGKSA-N 0 3 312.417 2.706 20 70 DFIDHN COc1ccc(COCCCN[C@H](C)c2cnccn2)cc1 ZINC000161077136 426007331 /nfs/dbraw/zinc/00/73/31/426007331.db2.gz KFVSABQPSNLVFT-CQSZACIVSA-N 0 3 301.390 2.743 20 70 DFIDHN COc1ccc(COCCCN[C@H](C)c2cnn(C)c2)cc1 ZINC000161078348 426007924 /nfs/dbraw/zinc/00/79/24/426007924.db2.gz BEWAEUYCTNLCNH-CQSZACIVSA-N 0 3 303.406 2.686 20 70 DFIDHN CC[C@@H](C)NC(=O)c1cccc(CN[C@H](COC)C(C)C)c1 ZINC000161114158 426009018 /nfs/dbraw/zinc/00/90/18/426009018.db2.gz YBXZDCPEKMQBLT-RHSMWYFYSA-N 0 3 306.450 2.976 20 70 DFIDHN CC[C@H](C)NC(=O)c1cccc(CN[C@@H](COC)C(C)C)c1 ZINC000161114059 426009089 /nfs/dbraw/zinc/00/90/89/426009089.db2.gz YBXZDCPEKMQBLT-YOEHRIQHSA-N 0 3 306.450 2.976 20 70 DFIDHN CC(C)N1C[C@H](NC(=O)c2cc3cc(F)ccc3[nH]2)[C@@H](C)C1 ZINC000161095580 426009216 /nfs/dbraw/zinc/00/92/16/426009216.db2.gz SEPIALXPGADMIB-ZBEGNZNMSA-N 0 3 303.381 2.766 20 70 DFIDHN CCOc1cc(CNC(C)(C)[C@H](C)O)ccc1OC(F)F ZINC000161141674 426010044 /nfs/dbraw/zinc/01/00/44/426010044.db2.gz KJQKIMLZYBSMRI-JTQLQIEISA-N 0 3 303.349 2.936 20 70 DFIDHN CC[C@](C)(O)CN(C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000161230213 426013918 /nfs/dbraw/zinc/01/39/18/426013918.db2.gz GWDMQAWKCAIDIE-HNNXBMFYSA-N 0 3 317.332 2.610 20 70 DFIDHN CC[C@@H](NC(=O)[C@@H](N)CCSC)c1ccc(F)cc1F ZINC000161210718 426014016 /nfs/dbraw/zinc/01/40/16/426014016.db2.gz NPEXBQLIPSLNMM-QWHCGFSZSA-N 0 3 302.390 2.613 20 70 DFIDHN C=C(C)CNC(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1 ZINC000161260513 426016567 /nfs/dbraw/zinc/01/65/67/426016567.db2.gz ULQKYVDEODFGGS-KRWDZBQOSA-N 0 3 317.433 2.707 20 70 DFIDHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000161349944 426020550 /nfs/dbraw/zinc/02/05/50/426020550.db2.gz JYPRGNVNKOCMDT-PBHICJAKSA-N 0 3 322.412 2.527 20 70 DFIDHN CSC[C@](C)(O)CNCc1ccc(Br)cc1F ZINC000217853876 426565021 /nfs/dbraw/zinc/56/50/21/426565021.db2.gz JOIGIHRTJKCXBP-GFCCVEGCSA-N 0 3 322.243 2.792 20 70 DFIDHN CCC[C@@H](C(=O)NC[C@H](c1ccccc1)N1CCCC1)N(C)C ZINC000161302801 276021125 /nfs/dbraw/zinc/02/11/25/276021125.db2.gz SUXMGFMORUDAPI-ZWKOTPCHSA-N 0 3 317.477 2.670 20 70 DFIDHN CCC[C@H](C(=O)NC[C@@H](c1ccccc1)N1CCCC1)N(C)C ZINC000161302673 276281870 /nfs/dbraw/zinc/28/18/70/276281870.db2.gz SUXMGFMORUDAPI-MSOLQXFVSA-N 0 3 317.477 2.670 20 70 DFIDHN C[C@H](N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1)c1cccnc1 ZINC000159965969 278279684 /nfs/dbraw/zinc/27/96/84/278279684.db2.gz XEMMBVGLRNKHJF-ULFGMLNVSA-N 0 3 313.376 2.843 20 70 DFIDHN C[C@H](CN[C@H]1CCCc2c1cnn2C)N1CCc2ccccc2C1 ZINC000159837396 279352940 /nfs/dbraw/zinc/35/29/40/279352940.db2.gz CJWCPCPQENKLDE-BEFAXECRSA-N 0 3 324.472 2.834 20 70 DFIDHN CC[C@@H](N[C@@H]1CCc2nc(C)nn2C1)c1ccccc1OC ZINC000160533290 280195028 /nfs/dbraw/zinc/19/50/28/280195028.db2.gz PUICGIPBTFFQKT-UKRRQHHQSA-N 0 3 300.406 2.651 20 70 DFIDHN CS[C@@H](C)CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000160026558 295385724 /nfs/dbraw/zinc/38/57/24/295385724.db2.gz NLINLPUDLZBIDE-AWEZNQCLSA-N 0 3 319.474 2.590 20 70 DFIDHN Cc1cccc([C@@H]2CCCN2C[C@H](O)COCc2ccco2)n1 ZINC000160107653 295386555 /nfs/dbraw/zinc/38/65/55/295386555.db2.gz HPROUQYPQHABQY-YJBOKZPZSA-N 0 3 316.401 2.698 20 70 DFIDHN CN1CC[C@H](CNC(=O)c2occc2-c2ccc(F)cc2)C1 ZINC000160106168 295386621 /nfs/dbraw/zinc/38/66/21/295386621.db2.gz PZAZRVALBABJKE-GFCCVEGCSA-N 0 3 302.349 2.767 20 70 DFIDHN Cc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)N1[C@H](C)CC[C@@H]1C)CO2 ZINC000160132497 295386906 /nfs/dbraw/zinc/38/69/06/295386906.db2.gz KPPJUYGTLLASNV-HLPPOEQASA-N 0 3 302.418 2.806 20 70 DFIDHN C[C@H]1C[C@H](NC(=O)N(C)CC(F)F)CN1Cc1ccccc1 ZINC000160195694 295387718 /nfs/dbraw/zinc/38/77/18/295387718.db2.gz BMBNRNHSHYFOJC-JSGCOSHPSA-N 0 3 311.376 2.556 20 70 DFIDHN CCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)[C@H](C)N)cc1 ZINC000161031584 295397692 /nfs/dbraw/zinc/39/76/92/295397692.db2.gz DUJLAOPPDOXSLH-XKQJLSEDSA-N 0 3 320.433 2.629 20 70 DFIDHN CC(C)CCn1ccc(NC(=O)N2CC[C@@H](N3CCCC3)C2)n1 ZINC000161300939 295401493 /nfs/dbraw/zinc/40/14/93/295401493.db2.gz IKNQCHGEXUYDEG-OAHLLOKOSA-N 0 3 319.453 2.631 20 70 DFIDHN CCN1CCC[C@H]1CN(C)C(=O)Nc1ccn(CCC(C)C)n1 ZINC000160389601 521652007 /nfs/dbraw/zinc/65/20/07/521652007.db2.gz GIHKFEBJRQBXEZ-HNNXBMFYSA-N 0 3 321.469 2.877 20 70 DFIDHN COc1cc(O)c(CN2CCS[C@@H](C(C)C)C2)cc1OC ZINC000160319068 522779512 /nfs/dbraw/zinc/77/95/12/522779512.db2.gz WMRADIYALDLVQJ-MRXNPFEDSA-N 0 3 311.447 2.983 20 70 DFIDHN CSCCN(C)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000160411061 525489723 /nfs/dbraw/zinc/48/97/23/525489723.db2.gz LETPQNJPWVUDDY-GDBMZVCRSA-N 0 3 321.490 2.654 20 70 DFIDHN COC(CN(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1)OC ZINC000160798106 536502311 /nfs/dbraw/zinc/50/23/11/536502311.db2.gz OBCIAVUBDLTBJJ-UHFFFAOYSA-N 0 3 321.396 2.699 20 70 DFIDHN CCOCCCN1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000159568364 535516025 /nfs/dbraw/zinc/51/60/25/535516025.db2.gz APSRPYQEFCBFOU-UHFFFAOYSA-N 0 3 305.422 2.699 20 70 DFIDHN Cc1nc2n(n1)C[C@@H](N[C@@H]1CC3(CCC3)Oc3ccccc31)CC2 ZINC000160472067 282118238 /nfs/dbraw/zinc/11/82/38/282118238.db2.gz IILVGCKPJMKGFY-GOEBONIOSA-N 0 3 324.428 2.937 20 70 DFIDHN CCN1CCCN(C(=O)NCCSc2ccccc2)CC1 ZINC000159551517 186126753 /nfs/dbraw/zinc/12/67/53/186126753.db2.gz WKGLJUIOFFLQPV-UHFFFAOYSA-N 0 3 307.463 2.516 20 70 DFIDHN C[C@@H](c1nc(Cc2ccccc2)no1)N1CCN(C2CC2)CC1 ZINC000159719786 186137519 /nfs/dbraw/zinc/13/75/19/186137519.db2.gz QMOBSRNEQUAINE-AWEZNQCLSA-N 0 3 312.417 2.501 20 70 DFIDHN COc1ccc(NC(=O)CN2CC[C@@H]3CCCC[C@@H]32)cc1OC ZINC000159673621 398966083 /nfs/dbraw/zinc/96/60/83/398966083.db2.gz XUDCJNFFSVIVHY-ZFWWWQNUSA-N 0 3 318.417 2.907 20 70 DFIDHN C[C@@H](NCC(=O)NCC(F)(F)F)C(C)(C)c1ccccc1 ZINC000160527259 296116016 /nfs/dbraw/zinc/11/60/16/296116016.db2.gz RHDOMKXXAOVCSS-LLVKDONJSA-N 0 3 302.340 2.621 20 70 DFIDHN CCCc1cc(N2CCS(=O)(=O)[C@H](C)C2)c2ccccc2n1 ZINC000160718703 197433574 /nfs/dbraw/zinc/43/35/74/197433574.db2.gz AODIKBPSWKVZSR-CYBMUJFWSA-N 0 3 318.442 2.811 20 70 DFIDHN CC(C)Cc1ccc(C(=O)CCC(=O)N2CCC[C@@H]2CN)cc1 ZINC000160279319 197397577 /nfs/dbraw/zinc/39/75/77/197397577.db2.gz LVCDRVKYAORPDI-QGZVFWFLSA-N 0 3 316.445 2.798 20 70 DFIDHN Cc1ccc(C(=O)CCN2CCS[C@H]3COCC[C@@H]32)cc1 ZINC000160309595 197398845 /nfs/dbraw/zinc/39/88/45/197398845.db2.gz WKVORLPDFDOPBW-RDJZCZTQSA-N 0 3 305.443 2.774 20 70 DFIDHN COc1cccc(Cl)c1CC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000160137787 197388762 /nfs/dbraw/zinc/38/87/62/197388762.db2.gz GAJJDOIWXZLWNW-WFASDCNBSA-N 0 3 324.852 2.690 20 70 DFIDHN CCN1CCCN(C(=O)N[C@@H](C)[C@@H](C)c2ccccc2)CC1 ZINC000159940539 197375401 /nfs/dbraw/zinc/37/54/01/197375401.db2.gz BBACEMUNJBRHEN-CVEARBPZSA-N 0 3 303.450 2.916 20 70 DFIDHN CCN1CCCN(C(=O)NC[C@@H](C)c2ccc(C)cc2)CC1 ZINC000159888389 197370905 /nfs/dbraw/zinc/37/09/05/197370905.db2.gz FPLNKZFFGZSKNF-MRXNPFEDSA-N 0 3 303.450 2.836 20 70 DFIDHN CC[C@H](COC)NC(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000159866496 197370429 /nfs/dbraw/zinc/37/04/29/197370429.db2.gz SVYUTRLBHDOKJT-GOEBONIOSA-N 0 3 321.465 2.840 20 70 DFIDHN CCN1CCCN(C(=O)NCc2oc3ccccc3c2C)CC1 ZINC000159865838 197370181 /nfs/dbraw/zinc/37/01/81/197370181.db2.gz DBKBKQXMKSZFKF-UHFFFAOYSA-N 0 3 315.417 2.978 20 70 DFIDHN CCN1CCCN(C(=O)N[C@H](c2ncccc2C)C(C)C)CC1 ZINC000159866721 197370024 /nfs/dbraw/zinc/37/00/24/197370024.db2.gz AOOFSSURGSLZMO-INIZCTEOSA-N 0 3 318.465 2.824 20 70 DFIDHN CCCn1ccc2ccc(NC(=O)CNC[C@H]3CCCO3)cc21 ZINC000159852041 197368826 /nfs/dbraw/zinc/36/88/26/197368826.db2.gz LDXWUPOBYRFHHX-MRXNPFEDSA-N 0 3 315.417 2.758 20 70 DFIDHN C[C@H](NCCCN1CCCC1=O)c1cc(F)c(F)c(F)c1 ZINC000159514898 197359455 /nfs/dbraw/zinc/35/94/55/197359455.db2.gz IFGIDIVYPNNSSD-JTQLQIEISA-N 0 3 300.324 2.767 20 70 DFIDHN CC[C@@H](NCCN(CC)C(=O)OC(C)(C)C)c1cnn(C)c1 ZINC000159450071 197354349 /nfs/dbraw/zinc/35/43/49/197354349.db2.gz HSKLGWHPDXKCHV-CQSZACIVSA-N 0 3 310.442 2.718 20 70 DFIDHN COCCN(C)CCN[C@H](C)c1ccc(F)cc1OC(F)F ZINC000159414753 197351344 /nfs/dbraw/zinc/35/13/44/197351344.db2.gz ACWBVPVPBMXJHO-LLVKDONJSA-N 0 3 320.355 2.656 20 70 DFIDHN C[C@@H](C(=O)N[C@H]1CCOc2ccccc21)N1C[C@H](C)C[C@H](C)C1 ZINC000218675710 542879037 /nfs/dbraw/zinc/87/90/37/542879037.db2.gz MCRJECRGQHMNEV-IVSAIRAKSA-N 0 3 316.445 2.993 20 70 DFIDHN C[C@@H](NC(=O)C1(N)CCCCC1)c1ccccc1-n1cccn1 ZINC000159593431 286935773 /nfs/dbraw/zinc/93/57/73/286935773.db2.gz CQVNSSRKAIVAOE-CQSZACIVSA-N 0 3 312.417 2.711 20 70 DFIDHN CCO/C=C(/C#N)C(=O)NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000159396865 266177474 /nfs/dbraw/zinc/17/74/74/266177474.db2.gz NWYWLMDXDOOJAB-QXPQOBGOSA-N 0 3 315.417 2.676 20 70 DFIDHN C[C@H](NCc1ccn(C)n1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218178189 268139776 /nfs/dbraw/zinc/13/97/76/268139776.db2.gz UHUNFCVLXZSPMH-KBPBESRZSA-N 0 3 322.453 2.545 20 70 DFIDHN CC(=O)Nc1cccc([C@H](C)NCCNC(=O)OC(C)(C)C)c1 ZINC000218087768 268139789 /nfs/dbraw/zinc/13/97/89/268139789.db2.gz OROQHGVZNQKYLH-LBPRGKRZSA-N 0 3 321.421 2.820 20 70 DFIDHN COc1cc(CN[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)ccn1 ZINC000217935486 268139846 /nfs/dbraw/zinc/13/98/46/268139846.db2.gz AUWUROJCGWZUOU-CQSZACIVSA-N 0 3 321.421 2.579 20 70 DFIDHN C[C@@H](NCc1ccn(C)n1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218178033 268139852 /nfs/dbraw/zinc/13/98/52/268139852.db2.gz UHUNFCVLXZSPMH-ZIAGYGMSSA-N 0 3 322.453 2.545 20 70 DFIDHN CC[C@H](N[C@H]1CCc2nc(C)nn2C1)c1cc(F)ccc1F ZINC000160387660 425980365 /nfs/dbraw/zinc/98/03/65/425980365.db2.gz HPKNLQAZHJKKQT-WFASDCNBSA-N 0 3 306.360 2.920 20 70 DFIDHN CC(C)(C)c1ccccc1C(=O)NC[C@H](O)CN1CCCCC1 ZINC000160461392 425982986 /nfs/dbraw/zinc/98/29/86/425982986.db2.gz VQAJHTQSFXBQKB-HNNXBMFYSA-N 0 3 318.461 2.561 20 70 DFIDHN N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H]1CN1CCCCC1 ZINC000160444577 425983009 /nfs/dbraw/zinc/98/30/09/425983009.db2.gz HVQYRDBVYXJXRT-INIZCTEOSA-N 0 3 314.389 2.921 20 70 DFIDHN Cc1nc2n(n1)C[C@@H](N[C@H]1CCCOc3ccc(C)cc31)CC2 ZINC000160446171 425983133 /nfs/dbraw/zinc/98/31/33/425983133.db2.gz XXMJMICHEXPTHT-HOCLYGCPSA-N 0 3 312.417 2.713 20 70 DFIDHN COC(=O)Cc1cccc(NC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)c1 ZINC000160492842 425984423 /nfs/dbraw/zinc/98/44/23/425984423.db2.gz MEGCGENDVIZLLJ-MJBXVCDLSA-N 0 3 318.417 2.602 20 70 DFIDHN CN(C)C(=O)c1cccc(CN2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000160525359 425985061 /nfs/dbraw/zinc/98/50/61/425985061.db2.gz GZINWWXSQGJBIR-MJGOQNOKSA-N 0 3 316.445 2.515 20 70 DFIDHN C[C@@H](CNC(=O)c1c(F)cc(F)cc1F)N1CCC[C@H](C)C1 ZINC000160543734 425986427 /nfs/dbraw/zinc/98/64/27/425986427.db2.gz ZHDNQQABMKOQEG-QWRGUYRKSA-N 0 3 314.351 2.954 20 70 DFIDHN C[C@@H]1CCCCN1CCNC(=O)c1c(F)cc(F)cc1F ZINC000160574518 425987744 /nfs/dbraw/zinc/98/77/44/425987744.db2.gz WDDNGUGSFDNISO-SNVBAGLBSA-N 0 3 300.324 2.708 20 70 DFIDHN C[C@H]1CC[C@@H](NCC(=O)NCC(F)(F)F)c2ccccc21 ZINC000160593623 425988860 /nfs/dbraw/zinc/98/88/60/425988860.db2.gz AWQKUSZTLRHCTI-GXFFZTMASA-N 0 3 300.324 2.893 20 70 DFIDHN CC(C)CCn1ccc(NC(=O)NCCN2CCCC[C@H]2C)n1 ZINC000160610843 425990080 /nfs/dbraw/zinc/99/00/80/425990080.db2.gz VOQQAWNDRDYYEH-OAHLLOKOSA-N 0 3 321.469 2.925 20 70 DFIDHN O=C(CCN1CCC(c2cc[nH]n2)CC1)Nc1cccc(F)c1 ZINC000160653507 425991146 /nfs/dbraw/zinc/99/11/46/425991146.db2.gz KHUYANNGRBZNMP-UHFFFAOYSA-N 0 3 316.380 2.757 20 70 DFIDHN CCc1ccc(/C=C/C(=O)N2[C@@H]3CC[C@H]2CN(CC)CC3)o1 ZINC000160878051 425999339 /nfs/dbraw/zinc/99/93/39/425999339.db2.gz PLULGPWYYAXDIR-SPZIKGKASA-N 0 3 302.418 2.940 20 70 DFIDHN CC(C)NC(=O)CN[C@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000160955959 426002567 /nfs/dbraw/zinc/00/25/67/426002567.db2.gz HQZIHWFTIGEURY-NWDGAFQWSA-N 0 3 305.447 2.903 20 70 DFIDHN CC(C)NC(=O)CN[C@@H](C)[C@H](C)c1nc2ccccc2s1 ZINC000160955844 426002956 /nfs/dbraw/zinc/00/29/56/426002956.db2.gz HQZIHWFTIGEURY-RYUDHWBXSA-N 0 3 305.447 2.903 20 70 DFIDHN Cc1ccc(C(=O)CCN2CCC[C@H](Cn3ccnn3)C2)cc1 ZINC000160987574 426003955 /nfs/dbraw/zinc/00/39/55/426003955.db2.gz QOSYQBHMJXBHAL-INIZCTEOSA-N 0 3 312.417 2.572 20 70 DFIDHN C[C@H](NC(=O)C1(N)CCCCC1)c1ccccc1-n1cccn1 ZINC000159593296 425963182 /nfs/dbraw/zinc/96/31/82/425963182.db2.gz CQVNSSRKAIVAOE-AWEZNQCLSA-N 0 3 312.417 2.711 20 70 DFIDHN NC1(C(=O)N[C@H](Cc2ccccc2)C2CC2)Cc2ccccc2C1 ZINC000159821129 425968439 /nfs/dbraw/zinc/96/84/39/425968439.db2.gz ZQWLEHIWGJGQSW-LJQANCHMSA-N 0 3 320.436 2.620 20 70 DFIDHN C=CCN(CC=C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000159950645 425971281 /nfs/dbraw/zinc/97/12/81/425971281.db2.gz WCQYLRSPSGCHJH-AEFFLSMTSA-N 0 3 313.445 2.891 20 70 DFIDHN Cn1ncc2c1CCC[C@H]2NCCOc1ccc(F)cc1F ZINC000160096627 425973706 /nfs/dbraw/zinc/97/37/06/425973706.db2.gz SZCHCNQYLWRNKV-CQSZACIVSA-N 0 3 307.344 2.744 20 70 DFIDHN CCC[C@H](N[C@H](CC)COC)C(=O)N1CCc2sccc2C1 ZINC000160200575 425976153 /nfs/dbraw/zinc/97/61/53/425976153.db2.gz QOKQJOIVBMPFOH-CABCVRRESA-N 0 3 324.490 2.816 20 70 DFIDHN CS[C@@H](C)CC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000161008741 426005547 /nfs/dbraw/zinc/00/55/47/426005547.db2.gz IAHAFOKLZNJWOA-ZDUSSCGKSA-N 0 3 312.454 2.858 20 70 DFIDHN Fc1ccccc1CN1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000161395995 426022525 /nfs/dbraw/zinc/02/25/25/426022525.db2.gz VQASMWPRSZNKMA-AWEZNQCLSA-N 0 3 300.381 2.743 20 70 DFIDHN CC(C)CCn1ccc(NC(=O)NC2CCN(C3CC3)CC2)n1 ZINC000161420349 426023421 /nfs/dbraw/zinc/02/34/21/426023421.db2.gz PUBOSJIFYQABGN-UHFFFAOYSA-N 0 3 319.453 2.678 20 70 DFIDHN CCCCn1ncc(C(=O)NCC(C)(C)N2CCCCC2)c1C ZINC000161409282 426023640 /nfs/dbraw/zinc/02/36/40/426023640.db2.gz JFZHTNPMPSEDIN-UHFFFAOYSA-N 0 3 320.481 2.986 20 70 DFIDHN CCN(CC(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C)C1CC1 ZINC000161465761 426025695 /nfs/dbraw/zinc/02/56/95/426025695.db2.gz CTFMEVGTXDBVJM-UHFFFAOYSA-N 0 3 302.378 2.709 20 70 DFIDHN CC1(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)CCC1 ZINC000161261498 426016160 /nfs/dbraw/zinc/01/61/60/426016160.db2.gz CHONHPMQTFPWHD-INIZCTEOSA-N 0 3 301.434 2.893 20 70 DFIDHN N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000161259147 426016337 /nfs/dbraw/zinc/01/63/37/426016337.db2.gz WEOBXUNHZWKYQJ-MOPGFXCFSA-N 0 3 308.425 2.694 20 70 DFIDHN CCC[C@H](C(=O)N(C)Cc1cnn(-c2ccccc2)c1)N(C)C ZINC000161315933 426018081 /nfs/dbraw/zinc/01/80/81/426018081.db2.gz RTLNNRMPGIFOBK-QGZVFWFLSA-N 0 3 314.433 2.561 20 70 DFIDHN CC(C)C[C@H](CN(C)C)NC(=O)c1ccc(N(C)C)cc1F ZINC000161330417 426019493 /nfs/dbraw/zinc/01/94/93/426019493.db2.gz LMYIWAFCNKQZHS-CYBMUJFWSA-N 0 3 309.429 2.598 20 70 DFIDHN CCC[C@H](C(=O)N(C)Cc1ccccc1N1CCCC1)N(C)C ZINC000161330145 426019851 /nfs/dbraw/zinc/01/98/51/426019851.db2.gz YROVWDFGYSJCGL-GOSISDBHSA-N 0 3 317.477 2.976 20 70 DFIDHN CC(C)C[C@@H](CN(C)C)NC(=O)CCc1ccc(F)cc1F ZINC000161331287 426020286 /nfs/dbraw/zinc/02/02/86/426020286.db2.gz SFUSLQIKNNRJIF-HNNXBMFYSA-N 0 3 312.404 2.990 20 70 DFIDHN CN(CCN1CCCC[C@@H]1c1nc[nH]n1)Cc1ccc(F)cc1 ZINC000161357435 426021342 /nfs/dbraw/zinc/02/13/42/426021342.db2.gz YSFQNUPAGULXDL-MRXNPFEDSA-N 0 3 317.412 2.603 20 70 DFIDHN CN(CCN1CCCC[C@@H]1c1nnc[nH]1)Cc1ccc(F)cc1 ZINC000161357435 426021345 /nfs/dbraw/zinc/02/13/45/426021345.db2.gz YSFQNUPAGULXDL-MRXNPFEDSA-N 0 3 317.412 2.603 20 70 DFIDHN CCN1CCCN(C(=O)N[C@H]2CCCOc3ccccc32)CC1 ZINC000159791289 276367244 /nfs/dbraw/zinc/36/72/44/276367244.db2.gz VDTDNFFRAQYEIU-INIZCTEOSA-N 0 3 317.433 2.638 20 70 DFIDHN Cc1nc2n(n1)C[C@H](N[C@@H]1CC3(CCC3)Oc3ccccc31)CC2 ZINC000160471943 279143673 /nfs/dbraw/zinc/14/36/73/279143673.db2.gz IILVGCKPJMKGFY-GDBMZVCRSA-N 0 3 324.428 2.937 20 70 DFIDHN COc1cc(C(=O)NCc2ccc(CN(C)C)cc2)ccc1F ZINC000159559395 295378238 /nfs/dbraw/zinc/37/82/38/295378238.db2.gz OROINZSGKRSGJB-UHFFFAOYSA-N 0 3 316.376 2.826 20 70 DFIDHN Cc1c(C(=O)NC[C@H](C)N2CCC(C)CC2)cnn1CC(C)C ZINC000159789410 295381565 /nfs/dbraw/zinc/38/15/65/295381565.db2.gz SXPGRYOYAPFGIO-HNNXBMFYSA-N 0 3 320.481 2.698 20 70 DFIDHN CN1CCC(Oc2ccc(NCc3cncs3)cn2)CC1 ZINC000160063821 295386241 /nfs/dbraw/zinc/38/62/41/295386241.db2.gz JWFPOZKMHOICHK-UHFFFAOYSA-N 0 3 304.419 2.623 20 70 DFIDHN CCCCN(C)CCNC(=O)Nc1cnn(CCCC)c1C ZINC000160090458 295386547 /nfs/dbraw/zinc/38/65/47/295386547.db2.gz MMJZVXJCRKKSHO-UHFFFAOYSA-N 0 3 309.458 2.845 20 70 DFIDHN C[C@H]1C[C@@H](NC(=O)N(C)CC(F)F)CN1Cc1ccccc1 ZINC000160195958 295387773 /nfs/dbraw/zinc/38/77/73/295387773.db2.gz BMBNRNHSHYFOJC-GXTWGEPZSA-N 0 3 311.376 2.556 20 70 DFIDHN COCCN(Cc1ccccc1)Cc1ccc(-n2cncn2)cc1 ZINC000160450983 295391703 /nfs/dbraw/zinc/39/17/03/295391703.db2.gz LTYLRNQHGXHILQ-UHFFFAOYSA-N 0 3 322.412 2.916 20 70 DFIDHN C[C@@H]1CCCCN1CCNC(=O)c1cc(F)cc2cccnc21 ZINC000160494063 295392030 /nfs/dbraw/zinc/39/20/30/295392030.db2.gz RZWTXYSZKCXLRC-CYBMUJFWSA-N 0 3 315.392 2.978 20 70 DFIDHN CN(C)Cc1cccc(C(=O)N(C)c2ccc3c(c2)OCO3)c1 ZINC000160568174 295392972 /nfs/dbraw/zinc/39/29/72/295392972.db2.gz QXQZYRZSEARFKY-UHFFFAOYSA-N 0 3 312.369 2.754 20 70 DFIDHN CCCN(CCO)Cc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000161214254 295399946 /nfs/dbraw/zinc/39/99/46/295399946.db2.gz BMFVRXNMOQLLTG-UHFFFAOYSA-N 0 3 321.339 2.841 20 70 DFIDHN COc1cc(/C=C/C(=O)N(CCN(C)C)C(C)C)ccc1F ZINC000161182325 295399999 /nfs/dbraw/zinc/39/99/99/295399999.db2.gz JVZSMWIJWBUWAL-VQHVLOKHSA-N 0 3 308.397 2.646 20 70 DFIDHN CC(C)(CNC(=O)N[C@@H]1CCOC(C)(C)C1)N1CCCCC1 ZINC000161255201 295400857 /nfs/dbraw/zinc/40/08/57/295400857.db2.gz OUVBGRXKJIGZEM-CQSZACIVSA-N 0 3 311.470 2.508 20 70 DFIDHN COc1ccc(OC)c(CN2CCC(c3cnn(C)c3)CC2)c1 ZINC000160444661 524824087 /nfs/dbraw/zinc/82/40/87/524824087.db2.gz POSOLPWPUYOZNA-UHFFFAOYSA-N 0 3 315.417 2.817 20 70 DFIDHN Cc1nc2n(n1)C[C@H](N[C@H]1CCSc3ccccc31)CC2 ZINC000160378328 527198272 /nfs/dbraw/zinc/19/82/72/527198272.db2.gz ZZXBIIDWDDWVSZ-OCCSQVGLSA-N 0 3 300.431 2.728 20 70 DFIDHN Cc1nc2n(n1)C[C@H](N[C@@H]1CCSc3ccccc31)CC2 ZINC000160378137 527198863 /nfs/dbraw/zinc/19/88/63/527198863.db2.gz ZZXBIIDWDDWVSZ-TZMCWYRMSA-N 0 3 300.431 2.728 20 70 DFIDHN Cc1nc2n(n1)C[C@H](N[C@H]1CCc3cc(Cl)ccc31)CC2 ZINC000160531481 282128123 /nfs/dbraw/zinc/12/81/23/282128123.db2.gz RGZJLRSLSCLECV-HIFRSBDPSA-N 0 3 302.809 2.832 20 70 DFIDHN CCCOc1ccc(CNC(=O)N2CCCN(CC)CC2)cc1 ZINC000159605027 186130199 /nfs/dbraw/zinc/13/01/99/186130199.db2.gz HGBCVQTYJFPVAL-UHFFFAOYSA-N 0 3 319.449 2.713 20 70 DFIDHN COc1ccc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c(OC)c1 ZINC000159656257 186133308 /nfs/dbraw/zinc/13/33/08/186133308.db2.gz IQTXQCLJOSGGPD-OIISXLGYSA-N 0 3 303.402 2.751 20 70 DFIDHN c1nn(Cc2ccccc2)cc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159682591 186135102 /nfs/dbraw/zinc/13/51/02/186135102.db2.gz RPADCYRHBCRQEH-QRVBRYPASA-N 0 3 323.440 2.979 20 70 DFIDHN CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000159731887 186137874 /nfs/dbraw/zinc/13/78/74/186137874.db2.gz LRHBHTHNFMVUIL-KRWDZBQOSA-N 0 3 322.412 2.623 20 70 DFIDHN Cc1nn(C)cc1CN[C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000159628210 398965344 /nfs/dbraw/zinc/96/53/44/398965344.db2.gz SJOQDLXTNARMPC-SFHVURJKSA-N 0 3 315.417 2.987 20 70 DFIDHN CN(C)[C@@H]1CCN(C(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)C1 ZINC000160486296 398969977 /nfs/dbraw/zinc/96/99/77/398969977.db2.gz XYXDGQGBWBWGNP-KURKYZTESA-N 0 3 315.461 2.743 20 70 DFIDHN CSCC[C@H](N)C(=O)N1CCC[C@@](C)(c2ccccc2)C1 ZINC000160106243 197386656 /nfs/dbraw/zinc/38/66/56/197386656.db2.gz TVYIGLHCPNVOFC-DOTOQJQBSA-N 0 3 306.475 2.647 20 70 DFIDHN CC[C@H](COC)NC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000159866763 197370353 /nfs/dbraw/zinc/37/03/53/197370353.db2.gz SVYUTRLBHDOKJT-GDBMZVCRSA-N 0 3 321.465 2.840 20 70 DFIDHN CCC[C@H](N)C(=O)NCc1cccc(OC)c1OC1CCCC1 ZINC000159857336 197369224 /nfs/dbraw/zinc/36/92/24/197369224.db2.gz ZYDZXVHIDWDDFE-HNNXBMFYSA-N 0 3 320.433 2.760 20 70 DFIDHN COc1cccc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1OC ZINC000159510916 197360106 /nfs/dbraw/zinc/36/01/06/197360106.db2.gz ZGRAKBHGNLHHRN-XYPHTWIQSA-N 0 3 303.402 2.751 20 70 DFIDHN CC[C@H](NCCN(CC)C(=O)OC(C)(C)C)c1cnn(C)c1 ZINC000159449936 197354332 /nfs/dbraw/zinc/35/43/32/197354332.db2.gz HSKLGWHPDXKCHV-AWEZNQCLSA-N 0 3 310.442 2.718 20 70 DFIDHN CCN1CCCN(C(=O)N[C@@H]2CCCOc3ccccc32)CC1 ZINC000159791125 285212092 /nfs/dbraw/zinc/21/20/92/285212092.db2.gz VDTDNFFRAQYEIU-MRXNPFEDSA-N 0 3 317.433 2.638 20 70 DFIDHN CC(C)OCCNC[C@@H](O)COc1c(Cl)cccc1Cl ZINC000160210427 542721859 /nfs/dbraw/zinc/72/18/59/542721859.db2.gz HPMCVYXEHLADIY-LLVKDONJSA-N 0 3 322.232 2.748 20 70 DFIDHN Cc1ccccc1NC(=O)[C@H](C)N1CCN(c2ccncc2)CC1 ZINC000161347533 542728548 /nfs/dbraw/zinc/72/85/48/542728548.db2.gz ZYHRALRCKHKYPW-INIZCTEOSA-N 0 3 324.428 2.539 20 70 DFIDHN C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cc1ccc([O-])cc1Cl ZINC000159569876 145220137 /nfs/dbraw/zinc/22/01/37/145220137.db2.gz MVXJFAYXKVEDKE-CYBMUJFWSA-N 0 3 324.852 2.969 20 70 DFIDHN C[C@@H]1CCCC[N@H+]1CCCNC(=O)Cc1ccc([O-])cc1Cl ZINC000159569876 145220141 /nfs/dbraw/zinc/22/01/41/145220141.db2.gz MVXJFAYXKVEDKE-CYBMUJFWSA-N 0 3 324.852 2.969 20 70 DFIDHN CSC[C@@H](CCO)N[C@H](C)c1ccc(F)cc1N(C)C ZINC000160344502 145220934 /nfs/dbraw/zinc/22/09/34/145220934.db2.gz KDDVOEYRAXVNJK-DGCLKSJQSA-N 0 3 300.443 2.656 20 70 DFIDHN C[C@@H](NCc1ccn(C)n1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218178137 268139686 /nfs/dbraw/zinc/13/96/86/268139686.db2.gz UHUNFCVLXZSPMH-KGLIPLIRSA-N 0 3 322.453 2.545 20 70 DFIDHN Cc1nc2n(n1)C[C@@H](N[C@H](C)c1cccc(OC(F)F)c1)CC2 ZINC000160420061 425981877 /nfs/dbraw/zinc/98/18/77/425981877.db2.gz NVUXVCRGEYBJOO-MFKMUULPSA-N 0 3 322.359 2.854 20 70 DFIDHN CCC[C@H](NCC(=O)NCC(F)(F)F)c1ccc(OC)cc1 ZINC000160531904 425986463 /nfs/dbraw/zinc/98/64/63/425986463.db2.gz JNOQOYODXGCOMT-ZDUSSCGKSA-N 0 3 318.339 2.805 20 70 DFIDHN CC1CCN(CCNC(=O)c2c(F)cc(F)cc2F)CC1 ZINC000160549610 425986683 /nfs/dbraw/zinc/98/66/83/425986683.db2.gz OQFUKIQRTLSHIS-UHFFFAOYSA-N 0 3 300.324 2.566 20 70 DFIDHN CC(C)CNC(=O)[C@H](C)N[C@H](C)c1ccccc1-n1cccn1 ZINC000160832784 425997865 /nfs/dbraw/zinc/99/78/65/425997865.db2.gz HJZFJJVPRZGKBZ-CABCVRRESA-N 0 3 314.433 2.684 20 70 DFIDHN CC[C@H]1CCCCN1C(=O)[C@@H](C)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160930272 426001508 /nfs/dbraw/zinc/00/15/08/426001508.db2.gz NWGYDUNJCDLYRP-VXIBKDFQSA-N 0 3 322.493 2.793 20 70 DFIDHN CC(C)(C)C(=O)N1CCC(CN2CCOCC23CCC3)CC1 ZINC000160937590 426001688 /nfs/dbraw/zinc/00/16/88/426001688.db2.gz AALFTGWYJHELOR-UHFFFAOYSA-N 0 3 308.466 2.526 20 70 DFIDHN COCCN(C)CCN[C@H]1CC2(CCC2)Oc2ccccc21 ZINC000159388930 425959122 /nfs/dbraw/zinc/95/91/22/425959122.db2.gz GQULCECHULEHIU-INIZCTEOSA-N 0 3 304.434 2.601 20 70 DFIDHN C[C@@H](N[C@@H]1CCN(C(=O)C2CCCCC2)C1)c1ccccn1 ZINC000159381090 425959349 /nfs/dbraw/zinc/95/93/49/425959349.db2.gz QAMKHPJSIBQMIF-GDBMZVCRSA-N 0 3 301.434 2.913 20 70 DFIDHN O=C1CCCN1CCCN[C@@H]1CCCOc2ccc(F)cc21 ZINC000159490609 425961578 /nfs/dbraw/zinc/96/15/78/425961578.db2.gz XRDDINZFWXYVMZ-OAHLLOKOSA-N 0 3 306.381 2.642 20 70 DFIDHN CC[C@H](C)[C@@H](N)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000159499040 425962181 /nfs/dbraw/zinc/96/21/81/425962181.db2.gz CFKNETXCCHXZBR-JGVFFNPUSA-N 0 3 320.277 2.703 20 70 DFIDHN C[C@H]1CC[C@H](C(N)=O)CN1Cc1cnc(-c2ccsc2)s1 ZINC000159595440 425963003 /nfs/dbraw/zinc/96/30/03/425963003.db2.gz ZDDDSKHOCMXLEW-QWRGUYRKSA-N 0 3 321.471 2.957 20 70 DFIDHN CCN1CCCN(C(=O)NC[C@@H]2CCCc3ccccc32)CC1 ZINC000159660866 425965154 /nfs/dbraw/zinc/96/51/54/425965154.db2.gz FBVVAVMOMKQFLI-KRWDZBQOSA-N 0 3 315.461 2.844 20 70 DFIDHN CCN1CCCN(C(=O)NCc2c(C)cc(C)cc2C)CC1 ZINC000159778650 425967718 /nfs/dbraw/zinc/96/77/18/425967718.db2.gz WOEQNYPCUZGTGS-UHFFFAOYSA-N 0 3 303.450 2.849 20 70 DFIDHN CCN1CCCN(C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2F)CC1 ZINC000159870899 425968427 /nfs/dbraw/zinc/96/84/27/425968427.db2.gz KXVUEJACSYBHTE-WFASDCNBSA-N 0 3 323.387 2.558 20 70 DFIDHN COc1cc(C)c([C@H](C)N[C@H](CCO)CSC)cc1OC ZINC000160187882 425976438 /nfs/dbraw/zinc/97/64/38/425976438.db2.gz SFXUMBVWYUKSMZ-QWHCGFSZSA-N 0 3 313.463 2.777 20 70 DFIDHN CC[C@H](N[C@@H](CCO)CSC)c1ccc(OC)c(OC)c1 ZINC000160243475 425977973 /nfs/dbraw/zinc/97/79/73/425977973.db2.gz KHWHIOOTMKFVGU-KBPBESRZSA-N 0 3 313.463 2.859 20 70 DFIDHN CC[C@H](C(=O)N1CCO[C@@H](c2ccc(C)cc2C)C1)N(C)C ZINC000161385617 426022499 /nfs/dbraw/zinc/02/24/99/426022499.db2.gz NOXCEBVPYMWVIP-IAGOWNOFSA-N 0 3 304.434 2.544 20 70 DFIDHN CCn1cnnc1[C@H]1CCCN(CCOc2ccccc2C)C1 ZINC000161424867 426023481 /nfs/dbraw/zinc/02/34/81/426023481.db2.gz PFQMIAUDATYPHI-INIZCTEOSA-N 0 3 314.433 2.865 20 70 DFIDHN CCc1c(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)[nH]c(C)c1C(C)=O ZINC000161113371 426008734 /nfs/dbraw/zinc/00/87/34/426008734.db2.gz USQODKFGOGWTJP-XHDPSFHLSA-N 0 3 319.449 2.547 20 70 DFIDHN CSCC[C@H](N)C(=O)N[C@H](C)c1ccc(F)cc1Cl ZINC000161150447 426009554 /nfs/dbraw/zinc/00/95/54/426009554.db2.gz CNKCZUBTFACNBY-PELKAZGASA-N 0 3 304.818 2.737 20 70 DFIDHN CC1=C(C(=O)N2CCCN(Cc3ccccc3)CC2)CCCO1 ZINC000161168717 426011603 /nfs/dbraw/zinc/01/16/03/426011603.db2.gz ULIQOQCDOAVIEY-UHFFFAOYSA-N 0 3 314.429 2.805 20 70 DFIDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc3c(cccc3F)[nH]2)C1 ZINC000161163491 426011622 /nfs/dbraw/zinc/01/16/22/426011622.db2.gz KLCTUQYSMODFOW-BZNIZROVSA-N 0 3 303.381 2.766 20 70 DFIDHN CC(C)c1ncc(Cl)c(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)n1 ZINC000161184298 426012168 /nfs/dbraw/zinc/01/21/68/426012168.db2.gz AMDGLPDZQSIACO-AAEUAGOBSA-N 0 3 324.856 2.712 20 70 DFIDHN CCCN(CCO)Cc1cc(Cl)c(OC)c(OCC)c1 ZINC000161193631 426012210 /nfs/dbraw/zinc/01/22/10/426012210.db2.gz GPRKWIFVPDUQCV-UHFFFAOYSA-N 0 3 301.814 2.952 20 70 DFIDHN CCC[C@@H](C(=O)NC[C@H](c1ccco1)N1CCCCC1)N(C)C ZINC000161224922 426013469 /nfs/dbraw/zinc/01/34/69/426013469.db2.gz UAJBCTDAQLNHBQ-JKSUJKDBSA-N 0 3 321.465 2.653 20 70 DFIDHN CCC[C@@H](C(=O)NCCCn1ccc2ccccc21)N(C)C ZINC000161253127 426015206 /nfs/dbraw/zinc/01/52/06/426015206.db2.gz VVSCOJOEZFBCFM-KRWDZBQOSA-N 0 3 301.434 2.878 20 70 DFIDHN CC[C@H](C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C)c1c(C)noc1C ZINC000161274658 426015894 /nfs/dbraw/zinc/01/58/94/426015894.db2.gz BDBKJVDUEPPZRE-CQDKDKBSSA-N 0 3 307.438 2.630 20 70 DFIDHN CCC[C@@H](C(=O)NC[C@@H](c1cccs1)N1CCCC1)N(C)C ZINC000161303848 426019009 /nfs/dbraw/zinc/01/90/09/426019009.db2.gz USSKNEKVXPADHA-GJZGRUSLSA-N 0 3 323.506 2.732 20 70 DFIDHN CCC[C@H](C(=O)NC[C@@H](c1cccs1)N1CCCC1)N(C)C ZINC000161303946 426019136 /nfs/dbraw/zinc/01/91/36/426019136.db2.gz USSKNEKVXPADHA-CABCVRRESA-N 0 3 323.506 2.732 20 70 DFIDHN C[C@H](CC(N)=O)N[C@H](C)c1ccc(F)c(Br)c1 ZINC000161355505 426021017 /nfs/dbraw/zinc/02/10/17/426021017.db2.gz XKXAUWPOZYHXNO-HTQZYQBOSA-N 0 3 303.175 2.503 20 70 DFIDHN CCCn1c(CNC[C@@](C)(O)CSC)nc2ccccc21 ZINC000217855307 426565332 /nfs/dbraw/zinc/56/53/32/426565332.db2.gz LMMXSXDKJKNERY-MRXNPFEDSA-N 0 3 307.463 2.650 20 70 DFIDHN C[C@@H](CN[C@@H]1CCCc2c1cnn2C)N1CCc2ccccc2C1 ZINC000159836976 278285016 /nfs/dbraw/zinc/28/50/16/278285016.db2.gz CJWCPCPQENKLDE-HNAYVOBHSA-N 0 3 324.472 2.834 20 70 DFIDHN Cc1nc2n(n1)C[C@H](N[C@H]1CCCOc3cc(C)ccc31)CC2 ZINC000160366127 279144373 /nfs/dbraw/zinc/14/43/73/279144373.db2.gz HIOLCVXBAAEENW-ZBFHGGJFSA-N 0 3 312.417 2.713 20 70 DFIDHN Cc1ccc(CN2CCCC[C@H]2CCNS(C)(=O)=O)cc1C ZINC000159437385 295376864 /nfs/dbraw/zinc/37/68/64/295376864.db2.gz BOGCXFRZGFHWSE-KRWDZBQOSA-N 0 3 324.490 2.597 20 70 DFIDHN Cc1ccc(C[C@@H](C)N(C)C(=O)NC[C@H]2CCCN(C)C2)cc1 ZINC000159445503 295377047 /nfs/dbraw/zinc/37/70/47/295377047.db2.gz VFFMHXUKLOXPCH-SJLPKXTDSA-N 0 3 317.477 2.909 20 70 DFIDHN CCC[C@@H](C(=O)NC[C@@H](Nc1ccccc1)C(C)C)N(C)C ZINC000159562533 295378197 /nfs/dbraw/zinc/37/81/97/295378197.db2.gz MKNWJVMCCYYGDI-SJORKVTESA-N 0 3 305.466 2.970 20 70 DFIDHN CC(C)c1ccc(CN2CCN(CCn3ccnc3)CC2)cc1 ZINC000159548632 295378271 /nfs/dbraw/zinc/37/82/71/295378271.db2.gz XTNDJJDCYOVRBL-UHFFFAOYSA-N 0 3 312.461 2.824 20 70 DFIDHN Cc1noc(C)c1[C@@H](C)CNC(=O)N[C@@H](C)CN1CCCCC1 ZINC000159612992 295379132 /nfs/dbraw/zinc/37/91/32/295379132.db2.gz OODZMNFODJBJCK-STQMWFEESA-N 0 3 322.453 2.569 20 70 DFIDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C1CCC(C)(C)CC1 ZINC000159617678 295379165 /nfs/dbraw/zinc/37/91/65/295379165.db2.gz SMRLYWJXGJKBQO-INIZCTEOSA-N 0 3 310.482 2.772 20 70 DFIDHN CC(C)C[C@@H](CN(C)C)NC(=O)N1CCc2cccc(F)c2C1 ZINC000159735182 295381220 /nfs/dbraw/zinc/38/12/20/295381220.db2.gz QWQSFBOHXOXWHT-HNNXBMFYSA-N 0 3 321.440 2.870 20 70 DFIDHN COCCN(Cc1ccco1)C(=O)c1ccc(CN(C)C)cc1 ZINC000159882880 295383141 /nfs/dbraw/zinc/38/31/41/295383141.db2.gz QEQLJCJBAGKVID-UHFFFAOYSA-N 0 3 316.401 2.630 20 70 DFIDHN CN1CCC(Oc2ccc(NCc3cscn3)cn2)CC1 ZINC000160172155 295387438 /nfs/dbraw/zinc/38/74/38/295387438.db2.gz KGYQKXVIECWNGT-UHFFFAOYSA-N 0 3 304.419 2.623 20 70 DFIDHN CCCCn1ncc(NC(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c1C ZINC000160188282 295387756 /nfs/dbraw/zinc/38/77/56/295387756.db2.gz XEAKJBSJAREBCC-XJKSGUPXSA-N 0 3 321.469 2.842 20 70 DFIDHN CC[C@H](NCc1cn(C)nc1C)c1ccc2c(c1)OCCO2 ZINC000160677920 295394661 /nfs/dbraw/zinc/39/46/61/295394661.db2.gz TWFGSHCJLOAIPV-HNNXBMFYSA-N 0 3 301.390 2.741 20 70 DFIDHN Cc1nc2n(n1)C[C@@H](N[C@H]1CCCOc3cc(C)ccc31)CC2 ZINC000160366382 302682057 /nfs/dbraw/zinc/68/20/57/302682057.db2.gz HIOLCVXBAAEENW-HOCLYGCPSA-N 0 3 312.417 2.713 20 70 DFIDHN CCCN1CCCN(C(=O)c2coc(Br)c2)CC1 ZINC000160394715 519851692 /nfs/dbraw/zinc/85/16/92/519851692.db2.gz IYGALXWFGCQSGR-UHFFFAOYSA-N 0 3 315.211 2.600 20 70 DFIDHN CCOC[C@@H](C)NCc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000160320360 520077032 /nfs/dbraw/zinc/07/70/32/520077032.db2.gz NCRBLQCNTSRSIQ-ZACQAIPSSA-N 0 3 320.477 2.810 20 70 DFIDHN CCCCOCCCNCc1c(Br)c(C)nn1C ZINC000160281932 520758073 /nfs/dbraw/zinc/75/80/73/520758073.db2.gz FZYYATLPORFXSC-UHFFFAOYSA-N 0 3 318.259 2.787 20 70 DFIDHN CCOCCCN1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000159565907 535515477 /nfs/dbraw/zinc/51/54/77/535515477.db2.gz CPMRTPXNMQDHAZ-UHFFFAOYSA-N 0 3 311.470 2.509 20 70 DFIDHN COc1cc(C)c(CN(C)C(=O)[C@H](C(C)C)N(C)C)cc1OC ZINC000159543179 186125934 /nfs/dbraw/zinc/12/59/34/186125934.db2.gz ISRBDMYDSHQRNE-KRWDZBQOSA-N 0 3 322.449 2.557 20 70 DFIDHN CCc1nn(C)c(CC)c1CNC[C@H](c1ccco1)N(C)C ZINC000159581281 186128708 /nfs/dbraw/zinc/12/87/08/186128708.db2.gz WUAKACPKTCNVSD-MRXNPFEDSA-N 0 3 304.438 2.530 20 70 DFIDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@H]1c1ccccc1 ZINC000159692473 186135864 /nfs/dbraw/zinc/13/58/64/186135864.db2.gz BINISKQESSZWHQ-INIZCTEOSA-N 0 3 313.357 2.594 20 70 DFIDHN Cc1ccc([C@H](C)N(C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000159750366 186139271 /nfs/dbraw/zinc/13/92/71/186139271.db2.gz UOEVXRUXWXPDBH-AWEZNQCLSA-N 0 3 315.373 2.758 20 70 DFIDHN C[C@@H](Cc1ccccc1F)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000159494626 398965006 /nfs/dbraw/zinc/96/50/06/398965006.db2.gz KCCBBIYFNSMMES-BBRMVZONSA-N 0 3 304.409 2.605 20 70 DFIDHN CCN(C(=O)NCCSC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000159946013 398967956 /nfs/dbraw/zinc/96/79/56/398967956.db2.gz UBQNFDCWOPVSDX-MRXNPFEDSA-N 0 3 321.490 2.655 20 70 DFIDHN CS[C@@H](C)CNC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000160224900 398969223 /nfs/dbraw/zinc/96/92/23/398969223.db2.gz VTQXNPFLGZXZNI-AWEZNQCLSA-N 0 3 323.506 2.948 20 70 DFIDHN CC(C)(NC(=O)N[C@H]1CCN(CC2CC2)C1)c1cccc(F)c1 ZINC000160663545 398971683 /nfs/dbraw/zinc/97/16/83/398971683.db2.gz HKCWQXUMTSIBNY-INIZCTEOSA-N 0 3 319.424 2.844 20 70 DFIDHN CCOc1ccc([C@H](C)N[C@H]2CCc3nc(C)nn3C2)cc1 ZINC000160554832 197421672 /nfs/dbraw/zinc/42/16/72/197421672.db2.gz DKYKXHQJLWACMU-WFASDCNBSA-N 0 3 300.406 2.651 20 70 DFIDHN CC(C)C[C@H](CN(C)C)NC(=O)/C=C/c1ccc(Cl)nc1 ZINC000160251317 197396018 /nfs/dbraw/zinc/39/60/18/197396018.db2.gz XEBAZRFIKXZFPE-IZPAUZPXSA-N 0 3 309.841 2.841 20 70 DFIDHN CCCCn1ncc(NC(=O)N(C)C[C@@H]2CCCN(C)C2)c1C ZINC000160161946 197389834 /nfs/dbraw/zinc/38/98/34/197389834.db2.gz CAGOZPGNKXPPKL-OAHLLOKOSA-N 0 3 321.469 2.797 20 70 DFIDHN CN(CCN[C@@H]1CCCc2c1cnn2C)Cc1ccc(F)cc1 ZINC000160146117 197388863 /nfs/dbraw/zinc/38/88/63/197388863.db2.gz NDQJPCITQPCQOB-QGZVFWFLSA-N 0 3 316.424 2.658 20 70 DFIDHN CCN(CC)C(=O)C[C@H](C)NCc1ccc(OC(C)C)nc1 ZINC000160093616 197385654 /nfs/dbraw/zinc/38/56/54/197385654.db2.gz ABDGIQAAXHTWLL-AWEZNQCLSA-N 0 3 307.438 2.605 20 70 DFIDHN CC(C)[C@H](C(=O)N(C)Cc1ccccc1N1CCCC1)N(C)C ZINC000160018792 197380198 /nfs/dbraw/zinc/38/01/98/197380198.db2.gz BPNAPFVOHLUNAI-GOSISDBHSA-N 0 3 317.477 2.831 20 70 DFIDHN CCOCCC1(CN[C@@H](C(N)=O)c2ccc(F)cc2)CCC1 ZINC000159977594 197378080 /nfs/dbraw/zinc/37/80/80/197378080.db2.gz NJBQLCPSZPNSCF-OAHLLOKOSA-N 0 3 308.397 2.539 20 70 DFIDHN CCOCCN1CCN(CC#Cc2ccc(F)cc2)C[C@@H]1CC ZINC000159929742 197373507 /nfs/dbraw/zinc/37/35/07/197373507.db2.gz PFTOLGKPUIGMEM-IBGZPJMESA-N 0 3 318.436 2.610 20 70 DFIDHN CCC[C@@H](N)C(=O)NCc1cccc(OC)c1OC1CCCC1 ZINC000159857440 197369168 /nfs/dbraw/zinc/36/91/68/197369168.db2.gz ZYDZXVHIDWDDFE-OAHLLOKOSA-N 0 3 320.433 2.760 20 70 DFIDHN CC(C)[C@@H](N)C(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000159510747 197359995 /nfs/dbraw/zinc/35/99/95/197359995.db2.gz XLJOBUBTQYJWEO-CVEARBPZSA-N 0 3 324.852 2.595 20 70 DFIDHN CC(=O)c1cnc(NC(=O)[C@@H](C)[C@H](N)c2ccccc2)s1 ZINC000159506992 197358831 /nfs/dbraw/zinc/35/88/31/197358831.db2.gz KUSZRFQVAOLQRF-ZANVPECISA-N 0 3 303.387 2.620 20 70 DFIDHN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@H]1CCCCN1 ZINC000159451255 197354388 /nfs/dbraw/zinc/35/43/88/197354388.db2.gz JBLDMXWNOOBQAF-GLQYFDAESA-N 0 3 310.825 2.674 20 70 DFIDHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccnc(C)c1Cl ZINC000159362299 542716730 /nfs/dbraw/zinc/71/67/30/542716730.db2.gz KRHXWQRLUINDTI-GFCCVEGCSA-N 0 3 310.829 2.991 20 70 DFIDHN CN(Cc1ccccc1)C[C@H](O)CN(C)c1ccccc1F ZINC000161264801 542727842 /nfs/dbraw/zinc/72/78/42/542727842.db2.gz FJIIGEPZOXYHFZ-INIZCTEOSA-N 0 3 302.393 2.755 20 70 DFIDHN CC(C)CCn1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)n1 ZINC000161367208 542728766 /nfs/dbraw/zinc/72/87/66/542728766.db2.gz FRFZKKAWGKYJPG-CABCVRRESA-N 0 3 319.453 2.630 20 70 DFIDHN O=[N+]([O-])c1ccc(CNC[C@H](O)CCc2ccccc2)cc1 ZINC000217713253 542878028 /nfs/dbraw/zinc/87/80/28/542878028.db2.gz WBKSUHMMERGVGI-QGZVFWFLSA-N 0 3 300.358 2.678 20 70 DFIDHN Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)[C@H](N)C(C)C)cc1 ZINC000161103104 292279095 /nfs/dbraw/zinc/27/90/95/292279095.db2.gz GQZABGWISMJXBU-BRWVUGGUSA-N 0 3 304.434 2.562 20 70 DFIDHN CC(=O)Nc1cccc([C@@H](C)NCCNC(=O)OC(C)(C)C)c1 ZINC000218087685 268139736 /nfs/dbraw/zinc/13/97/36/268139736.db2.gz OROQHGVZNQKYLH-GFCCVEGCSA-N 0 3 321.421 2.820 20 70 DFIDHN CCn1ccnc1CNC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218238820 268139747 /nfs/dbraw/zinc/13/97/47/268139747.db2.gz DASJJROIQDTKSV-AWEZNQCLSA-N 0 3 322.453 2.640 20 70 DFIDHN COc1cc(CN[C@H]2CCCN(C(=O)OC(C)(C)C)C2)ccn1 ZINC000217935577 268139781 /nfs/dbraw/zinc/13/97/81/268139781.db2.gz AUWUROJCGWZUOU-AWEZNQCLSA-N 0 3 321.421 2.579 20 70 DFIDHN CC(=O)Nc1ccccc1CNCCCNC(=O)OC(C)(C)C ZINC000160410651 425982142 /nfs/dbraw/zinc/98/21/42/425982142.db2.gz ZFMRWXFWUGKOQS-UHFFFAOYSA-N 0 3 321.421 2.649 20 70 DFIDHN CSc1cc(C(=O)N2CC[C@@H](N3CCCC3)C2)ccc1F ZINC000160524293 425985366 /nfs/dbraw/zinc/98/53/66/425985366.db2.gz NILVHFSEPFPYGQ-CYBMUJFWSA-N 0 3 308.422 2.858 20 70 DFIDHN Cc1nc2n(n1)C[C@@H](N[C@@H]1CSCCc3ccccc31)CC2 ZINC000160519229 425985601 /nfs/dbraw/zinc/98/56/01/425985601.db2.gz HUIISCNEXTVNCF-GOEBONIOSA-N 0 3 314.458 2.522 20 70 DFIDHN CC1CCN(CCNC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000160551848 425986004 /nfs/dbraw/zinc/98/60/04/425986004.db2.gz BONFGTCFQUTGGR-ZBFHGGJFSA-N 0 3 322.399 2.916 20 70 DFIDHN CC(C)C[C@H](C)N(C)C(=O)CN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161013037 426005720 /nfs/dbraw/zinc/00/57/20/426005720.db2.gz PPRNDRHLDATUAB-LZLYRXPVSA-N 0 3 310.482 2.506 20 70 DFIDHN CC1CCN(CCNC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)CC1 ZINC000160551268 425986480 /nfs/dbraw/zinc/98/64/80/425986480.db2.gz YXNDRQZHAUQKBK-GJZGRUSLSA-N 0 3 322.399 2.916 20 70 DFIDHN O=C(Nc1nc2ccccc2n1C1CCCC1)[C@@]1(F)CCNC1 ZINC000160532350 425986734 /nfs/dbraw/zinc/98/67/34/425986734.db2.gz AJOKGSWLJLWUBO-QGZVFWFLSA-N 0 3 316.380 2.792 20 70 DFIDHN CCOc1ccc([C@@H](C)N[C@H]2CCc3nc(C)nn3C2)cc1 ZINC000160554692 425987032 /nfs/dbraw/zinc/98/70/32/425987032.db2.gz DKYKXHQJLWACMU-DOMZBBRYSA-N 0 3 300.406 2.651 20 70 DFIDHN O=C(NCCN1CCCCC1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000160569907 425987401 /nfs/dbraw/zinc/98/74/01/425987401.db2.gz HWDAYGUKLFTVBE-DZGCQCFKSA-N 0 3 308.372 2.670 20 70 DFIDHN C[C@@H]1CCO[C@H]1C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000160641396 425991452 /nfs/dbraw/zinc/99/14/52/425991452.db2.gz YDCCHGLCAXXKJQ-SOLBZPMBSA-N 0 3 316.445 2.534 20 70 DFIDHN CC[C@H](O)CCNC(=O)NC[C@H](c1ccccc1)N(CC)CC ZINC000160746996 425994904 /nfs/dbraw/zinc/99/49/04/425994904.db2.gz BVZOQTAULFGWDV-DLBZAZTESA-N 0 3 321.465 2.530 20 70 DFIDHN C[C@H](N)C(=O)Nc1cccc(C[S@@](=O)C2CCCCC2)c1 ZINC000160853830 425999030 /nfs/dbraw/zinc/99/90/30/425999030.db2.gz TXDKWAJVBBIBIN-QKVFXAPYSA-N 0 3 308.447 2.554 20 70 DFIDHN Cc1c(CNCCc2ccc(Br)s2)cnn1C ZINC000160955083 426002828 /nfs/dbraw/zinc/00/28/28/426002828.db2.gz SLLGWEPRFVXSOP-UHFFFAOYSA-N 0 3 314.252 2.885 20 70 DFIDHN CCOC(=O)C1(C(=O)Nc2cc(CN(C)C)ccc2C)CCC1 ZINC000160945928 426002831 /nfs/dbraw/zinc/00/28/31/426002831.db2.gz ALTQZKFHZNIAGY-UHFFFAOYSA-N 0 3 318.417 2.729 20 70 DFIDHN CCOCCC1(CNC(=O)[C@H](C)N2CCCCCC2)CCC1 ZINC000160958722 426003134 /nfs/dbraw/zinc/00/31/34/426003134.db2.gz XGLSGMHNCFJOLB-INIZCTEOSA-N 0 3 310.482 2.964 20 70 DFIDHN C[C@H]1CN(CCOc2cccc(Br)c2)CC[C@@H]1O ZINC000159471897 425959989 /nfs/dbraw/zinc/95/99/89/425959989.db2.gz OXWCSIDLBAIBBP-FZMZJTMJSA-N 0 3 314.223 2.531 20 70 DFIDHN CN(C)C[C@H](NC(=O)NC[C@@]1(C)CCCS1)c1ccccc1 ZINC000159442075 425960875 /nfs/dbraw/zinc/96/08/75/425960875.db2.gz PALQLQWVZPWOLY-DOTOQJQBSA-N 0 3 321.490 2.874 20 70 DFIDHN CCN1CCCN(C(=O)NCc2ccccc2OC(C)C)CC1 ZINC000159721651 425966623 /nfs/dbraw/zinc/96/66/23/425966623.db2.gz IJPSVKORRGTDLF-UHFFFAOYSA-N 0 3 319.449 2.711 20 70 DFIDHN CC(C)N(CCc1nccs1)C[C@@H](O)COc1ccccc1 ZINC000159952907 425971185 /nfs/dbraw/zinc/97/11/85/425971185.db2.gz VXAMDNCMSIKDKD-OAHLLOKOSA-N 0 3 320.458 2.836 20 70 DFIDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)Nc1cccc(Cl)c1 ZINC000160010021 425972782 /nfs/dbraw/zinc/97/27/82/425972782.db2.gz AXUCBPKAZYKQCC-ZENOOKHLSA-N 0 3 308.809 2.811 20 70 DFIDHN CC(C)OC(=O)[C@@H](C)N(C)CCN(C)Cc1ccc(F)cc1 ZINC000160178529 425976839 /nfs/dbraw/zinc/97/68/39/425976839.db2.gz BRAVETFSKIWMEK-CQSZACIVSA-N 0 3 310.413 2.529 20 70 DFIDHN O=C(NCc1ccccc1CN1CCCCC1)[C@@H]1CCCCO1 ZINC000160272931 425977865 /nfs/dbraw/zinc/97/78/65/425977865.db2.gz VMBVZDYUXFQOJS-SFHVURJKSA-N 0 3 316.445 2.858 20 70 DFIDHN CCOCCCN1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000160266855 425978135 /nfs/dbraw/zinc/97/81/35/425978135.db2.gz GLKJBKSSYZDLEP-UHFFFAOYSA-N 0 3 316.405 2.738 20 70 DFIDHN CSC[C@H](CCO)N[C@H](C)c1ccc(F)cc1N(C)C ZINC000160344251 425978725 /nfs/dbraw/zinc/97/87/25/425978725.db2.gz KDDVOEYRAXVNJK-YPMHNXCESA-N 0 3 300.443 2.656 20 70 DFIDHN CN(CCN[C@@H](CCO)c1ccccc1)Cc1ccc(F)cc1 ZINC000161436296 426024274 /nfs/dbraw/zinc/02/42/74/426024274.db2.gz NKMBDNWUWKAXMP-IBGZPJMESA-N 0 3 316.420 2.971 20 70 DFIDHN C[C@@H]1CCN(C(=O)CNC[C@@H]2CCCO2)[C@H]1c1cccc(F)c1 ZINC000161485844 426026131 /nfs/dbraw/zinc/02/61/31/426026131.db2.gz VINXYTKLLXXKJR-RPVQJOFSSA-N 0 3 320.408 2.504 20 70 DFIDHN CCC[C@@H](C(=O)NCc1ccc(Br)s1)N(C)C ZINC000161489057 426026841 /nfs/dbraw/zinc/02/68/41/426026841.db2.gz BHOVBHGWVRCZOO-JTQLQIEISA-N 0 3 319.268 2.857 20 70 DFIDHN CN(CCc1ccccn1)CCN(C)Cc1ccc(F)cc1 ZINC000161144945 426010167 /nfs/dbraw/zinc/01/01/67/426010167.db2.gz XSUGFUWFONKMRW-UHFFFAOYSA-N 0 3 301.409 2.827 20 70 DFIDHN COc1ccc(C(F)(F)C(=O)NC2CCN(C3CC3)CC2)cc1 ZINC000161295871 426017416 /nfs/dbraw/zinc/01/74/16/426017416.db2.gz RLVDZYRVHGONNE-UHFFFAOYSA-N 0 3 324.371 2.530 20 70 DFIDHN Cc1ccc(C(=O)CCN2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1 ZINC000161300448 426017866 /nfs/dbraw/zinc/01/78/66/426017866.db2.gz WWQAKTGHWXBEAY-IAGOWNOFSA-N 0 3 314.429 2.558 20 70 DFIDHN CCN(C)[C@H](C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C)c1ccccc1 ZINC000161362010 426021551 /nfs/dbraw/zinc/02/15/51/426021551.db2.gz FYUWYNRXFZFPHP-JQHSSLGASA-N 0 3 317.477 2.524 20 70 DFIDHN CCCCOc1ncccc1CNC1CCC(NC(C)=O)CC1 ZINC000161374864 426021857 /nfs/dbraw/zinc/02/18/57/426021857.db2.gz IVWNCRTYXCKEGO-UHFFFAOYSA-N 0 3 319.449 2.797 20 70 DFIDHN CC(C)N(C)C(=O)[C@H](C)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000160864007 279345253 /nfs/dbraw/zinc/34/52/53/279345253.db2.gz OTJKRHLJUBHHSK-GJZGRUSLSA-N 0 3 314.433 2.778 20 70 DFIDHN CC[C@H](c1ccncc1)N(C)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000159456731 295376789 /nfs/dbraw/zinc/37/67/89/295376789.db2.gz MDBCHSBKVJKPMK-GOEBONIOSA-N 0 3 304.438 2.516 20 70 DFIDHN CCN(CCN[C@@H]1CCCc2c1cnn2C)C(=O)OC(C)(C)C ZINC000159504538 295377850 /nfs/dbraw/zinc/37/78/50/295377850.db2.gz AFCASIGPJOCKMP-CQSZACIVSA-N 0 3 322.453 2.644 20 70 DFIDHN CCCCn1ncc(NC(=O)N[C@@H](C)CN2CCCCC2)c1C ZINC000160126161 295386965 /nfs/dbraw/zinc/38/69/65/295386965.db2.gz LUOUTHSYFOYPKG-AWEZNQCLSA-N 0 3 321.469 2.988 20 70 DFIDHN CC[C@@H](c1ccccc1)S(=O)(=O)C(C)C(=O)NC(C)(C)C ZINC000160444334 295391240 /nfs/dbraw/zinc/39/12/40/295391240.db2.gz DOTANOZDPATXRQ-JSGCOSHPSA-N 0 3 311.447 2.856 20 70 DFIDHN C[C@H]1CCCN(CCNC(=O)c2cc(F)cc3cccnc32)C1 ZINC000160497086 295392103 /nfs/dbraw/zinc/39/21/03/295392103.db2.gz AFKRDZWYHWIOQX-ZDUSSCGKSA-N 0 3 315.392 2.836 20 70 DFIDHN CN(C)Cc1ccc(C(=O)N(Cc2ccncc2)C2CC2)cc1 ZINC000160875800 295395971 /nfs/dbraw/zinc/39/59/71/295395971.db2.gz HVXASYPOOFUIOP-UHFFFAOYSA-N 0 3 309.413 2.948 20 70 DFIDHN CN(C)Cc1ccc(C(=O)Nc2nnc(C(F)F)s2)cc1 ZINC000161091117 295398585 /nfs/dbraw/zinc/39/85/85/295398585.db2.gz ORSGQMITBSOJEW-UHFFFAOYSA-N 0 3 312.345 2.790 20 70 DFIDHN CS(=O)(=O)CCCCN[C@H](c1ccccc1)c1ccccn1 ZINC000161213079 295399926 /nfs/dbraw/zinc/39/99/26/295399926.db2.gz MMQCIXBTVMDEJA-QGZVFWFLSA-N 0 3 318.442 2.585 20 70 DFIDHN Cc1cnc(N2CCC[C@H]2CN2CCCCC2)c([N+](=O)[O-])c1 ZINC000160453253 302350067 /nfs/dbraw/zinc/35/00/67/302350067.db2.gz BHONVUZXEJNRSL-AWEZNQCLSA-N 0 3 304.394 2.753 20 70 DFIDHN CCCN1CCCN(C(=O)[C@@H](C)Oc2cccc(F)c2)CC1 ZINC000160399188 519850567 /nfs/dbraw/zinc/85/05/67/519850567.db2.gz PGTTZGFYMGQSDU-CQSZACIVSA-N 0 3 308.397 2.537 20 70 DFIDHN COc1ccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1[N+](=O)[O-] ZINC000159588645 186129114 /nfs/dbraw/zinc/12/91/14/186129114.db2.gz BVRYZDPIBVEMKC-MAZHCROVSA-N 0 3 318.373 2.651 20 70 DFIDHN COc1ccc(-c2nc3c(s2)[C@H](NCCO)CCC3)cc1 ZINC000159701885 186136327 /nfs/dbraw/zinc/13/63/27/186136327.db2.gz FZRBGXWWCZSHHS-CYBMUJFWSA-N 0 3 304.415 2.778 20 70 DFIDHN CSCCCNC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000160372000 398970156 /nfs/dbraw/zinc/97/01/56/398970156.db2.gz XWPBJIXUAAIYSW-UHFFFAOYSA-N 0 3 315.527 2.893 20 70 DFIDHN CSC[C@@H](CCO)N[C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000160347055 398969948 /nfs/dbraw/zinc/96/99/48/398969948.db2.gz CJDOFVWZSZJZJJ-RHSMWYFYSA-N 0 3 319.474 2.696 20 70 DFIDHN CCCc1ccc([C@H](C)NCC(=O)NCC(F)(F)F)cc1 ZINC000160561576 197421719 /nfs/dbraw/zinc/42/17/19/197421719.db2.gz NIRUSMKCSYGROR-NSHDSACASA-N 0 3 302.340 2.968 20 70 DFIDHN CC(C)C[C@@H](CN(C)C)NC(=O)/C=C/c1ccc(Cl)nc1 ZINC000160251183 197395892 /nfs/dbraw/zinc/39/58/92/197395892.db2.gz XEBAZRFIKXZFPE-OWNNVSBGSA-N 0 3 309.841 2.841 20 70 DFIDHN COc1cccc(Cl)c1CC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000160138634 197388782 /nfs/dbraw/zinc/38/87/82/197388782.db2.gz MYMVMTJDFMYUTM-STQMWFEESA-N 0 3 324.852 2.832 20 70 DFIDHN OCC1(CNCc2cc(Cl)c3c(c2)OCCO3)CCCC1 ZINC000160120069 197386833 /nfs/dbraw/zinc/38/68/33/197386833.db2.gz ZEPAQHKNRBTLLH-UHFFFAOYSA-N 0 3 311.809 2.754 20 70 DFIDHN Cc1nc(CCNC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)sc1C ZINC000160093897 197385142 /nfs/dbraw/zinc/38/51/42/197385142.db2.gz YTLLVUYFQOCMRI-GVXVVHGQSA-N 0 3 309.479 2.680 20 70 DFIDHN C[C@@H](CN[C@H]1CCCc2c1cnn2C)N1CCc2ccccc21 ZINC000159937832 197374903 /nfs/dbraw/zinc/37/49/03/197374903.db2.gz MYWJZDFYOYGAPL-YOEHRIQHSA-N 0 3 310.445 2.838 20 70 DFIDHN CCN1CCCN(C(=O)N[C@H](c2nc(C)cs2)C2CC2)CC1 ZINC000159911095 197372720 /nfs/dbraw/zinc/37/27/20/197372720.db2.gz VCHFGHPHTMBBKV-AWEZNQCLSA-N 0 3 322.478 2.640 20 70 DFIDHN CCCCOc1ccc(CN2CCC(CC(N)=O)CC2)cc1 ZINC000159800358 197365692 /nfs/dbraw/zinc/36/56/92/197365692.db2.gz ZTLUEXFNQYAYPP-UHFFFAOYSA-N 0 3 304.434 2.953 20 70 DFIDHN CC(C)N(CCN(C)C)C(=O)N[C@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000159795260 197365423 /nfs/dbraw/zinc/36/54/23/197365423.db2.gz CMXOCWHGKJOZAE-SQNIBIBYSA-N 0 3 315.461 2.696 20 70 DFIDHN CSCC[C@H](N)C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000159808186 197365010 /nfs/dbraw/zinc/36/50/10/197365010.db2.gz ZRISCUMWSSEOQJ-OCCSQVGLSA-N 0 3 312.866 2.736 20 70 DFIDHN CCS[C@@H]1CCCCN(C(=O)[C@H](N)Cc2ccccc2)C1 ZINC000159765287 197362512 /nfs/dbraw/zinc/36/25/12/197362512.db2.gz DWPDSXJIPMUSQX-HZPDHXFCSA-N 0 3 306.475 2.691 20 70 DFIDHN CCS[C@H]1CCCCN(C(=O)[C@@H](N)Cc2ccccc2)C1 ZINC000159764695 197362223 /nfs/dbraw/zinc/36/22/23/197362223.db2.gz DWPDSXJIPMUSQX-HOTGVXAUSA-N 0 3 306.475 2.691 20 70 DFIDHN CCN1CCCN(C(=O)NCCc2ccc(Cl)cc2)CC1 ZINC000159513378 197359581 /nfs/dbraw/zinc/35/95/81/197359581.db2.gz CMOYLRFTNAOZML-UHFFFAOYSA-N 0 3 309.841 2.620 20 70 DFIDHN Cc1ccccc1NC(=O)[C@@H](C)N1CCN(c2ccncc2)CC1 ZINC000161347403 542728951 /nfs/dbraw/zinc/72/89/51/542728951.db2.gz ZYHRALRCKHKYPW-MRXNPFEDSA-N 0 3 324.428 2.539 20 70 DFIDHN C[C@@H](N[C@@H](C)CC(N)=O)c1cc(Br)ccc1F ZINC000161351115 267547299 /nfs/dbraw/zinc/54/72/99/267547299.db2.gz ZJJGRKLKJQTAFM-JGVFFNPUSA-N 0 3 303.175 2.503 20 70 DFIDHN C[C@@H](CC(N)=O)N[C@@H](C)c1ccc(F)c(Br)c1 ZINC000161355158 267548342 /nfs/dbraw/zinc/54/83/42/267548342.db2.gz XKXAUWPOZYHXNO-YUMQZZPRSA-N 0 3 303.175 2.503 20 70 DFIDHN Cc1cc(N(C)[C@@H]2CCN(C)C[C@@H]2C)nc(-c2cccnc2)n1 ZINC000160425530 425981854 /nfs/dbraw/zinc/98/18/54/425981854.db2.gz QRIDCLJVBYUHOO-XJKSGUPXSA-N 0 3 311.433 2.623 20 70 DFIDHN Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccccc1OC(F)F)CC2 ZINC000160416677 425982056 /nfs/dbraw/zinc/98/20/56/425982056.db2.gz RUGLVTVADYMYFC-JQWIXIFHSA-N 0 3 322.359 2.854 20 70 DFIDHN C[C@@H](NC(=O)[C@@H](N)C(C)(C)C)c1ncc(-c2ccccc2)o1 ZINC000160477466 425984162 /nfs/dbraw/zinc/98/41/62/425984162.db2.gz FXNMVDJJUFJXKL-BXUZGUMPSA-N 0 3 301.390 2.892 20 70 DFIDHN COc1cc(OC)c(CN[C@H]2CCOC(C)(C)C2)c(OC)c1 ZINC000160551534 425986138 /nfs/dbraw/zinc/98/61/38/425986138.db2.gz HYBAIFMNMUODAW-LBPRGKRZSA-N 0 3 309.406 2.760 20 70 DFIDHN COC[C@H](NCc1ccc(N2CCCCCC2)nc1)C1CC1 ZINC000160558462 425987704 /nfs/dbraw/zinc/98/77/04/425987704.db2.gz KFUOUYJESPHPOS-KRWDZBQOSA-N 0 3 303.450 2.977 20 70 DFIDHN C[C@H]1CCCN(CCNC(=O)c2c(F)cc(F)cc2F)C1 ZINC000160583620 425988299 /nfs/dbraw/zinc/98/82/99/425988299.db2.gz WFEFDEPEJSTAMT-JTQLQIEISA-N 0 3 300.324 2.566 20 70 DFIDHN C[C@@H]1CCCN(CCNC(=O)c2c(F)cc(F)cc2F)C1 ZINC000160583482 425988360 /nfs/dbraw/zinc/98/83/60/425988360.db2.gz WFEFDEPEJSTAMT-SNVBAGLBSA-N 0 3 300.324 2.566 20 70 DFIDHN C[C@H](NCc1ccc(CN2CCOCC2)cc1)c1cncs1 ZINC000160590961 425988676 /nfs/dbraw/zinc/98/86/76/425988676.db2.gz MNSJHBGPOXGBRK-AWEZNQCLSA-N 0 3 317.458 2.826 20 70 DFIDHN O=C(CCN1CCC(c2cc[nH]n2)CC1)Nc1ccccc1F ZINC000160652842 425991676 /nfs/dbraw/zinc/99/16/76/425991676.db2.gz WNHHOARECKNZOX-UHFFFAOYSA-N 0 3 316.380 2.757 20 70 DFIDHN CCCCN(CC(C)(C)CCC#N)[C@@H]1CCS(=O)(=O)C1 ZINC000160795458 425996290 /nfs/dbraw/zinc/99/62/90/425996290.db2.gz LMHJBNUNHQYYHH-CQSZACIVSA-N 0 3 300.468 2.606 20 70 DFIDHN CC[C@H](C)[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000160836321 425998225 /nfs/dbraw/zinc/99/82/25/425998225.db2.gz PNXXWGWHORGWSV-WCFLWFBJSA-N 0 3 302.340 2.650 20 70 DFIDHN O=[N+]([O-])c1ccc(CN2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000160902964 426000156 /nfs/dbraw/zinc/00/01/56/426000156.db2.gz KYTRSERXVQRLHK-HNNXBMFYSA-N 0 3 312.373 2.924 20 70 DFIDHN CN(C)[C@H](CNC(=O)c1ccnc(Cl)c1F)c1ccccc1 ZINC000160893545 426000460 /nfs/dbraw/zinc/00/04/60/426000460.db2.gz JZWDFSFXSSDKGZ-CYBMUJFWSA-N 0 3 321.783 2.907 20 70 DFIDHN c1nc2ccccn2c1CN1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000160956636 426002560 /nfs/dbraw/zinc/00/25/60/426002560.db2.gz NNHXLVOZHBIWTE-JZXOWHBKSA-N 0 3 310.445 2.641 20 70 DFIDHN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@@H]1CCCCN1 ZINC000159454269 425961037 /nfs/dbraw/zinc/96/10/37/425961037.db2.gz JBLDMXWNOOBQAF-TUKIKUTGSA-N 0 3 310.825 2.674 20 70 DFIDHN O=C(Nc1cc(F)ccc1SCC(F)F)[C@@]1(F)CCNC1 ZINC000159593638 425963579 /nfs/dbraw/zinc/96/35/79/425963579.db2.gz VEUMXVHQEJGGKI-CYBMUJFWSA-N 0 3 322.327 2.823 20 70 DFIDHN CN1CCC(C(=O)NC[C@H]2C[C@@]23CCCc2ccccc23)CC1 ZINC000159636399 425964566 /nfs/dbraw/zinc/96/45/66/425964566.db2.gz PBNYKEWXJCFIRL-XLIONFOSSA-N 0 3 312.457 2.739 20 70 DFIDHN COc1ccc2oc(CN3C[C@@H](C(N)=O)CC[C@H]3C)cc2c1 ZINC000159703857 425965958 /nfs/dbraw/zinc/96/59/58/425965958.db2.gz CJAPJXDYHDGSMQ-NEPJUHHUSA-N 0 3 302.374 2.527 20 70 DFIDHN CCN1CCCN(C(=O)NCCc2ccccc2Cl)CC1 ZINC000159775423 425967708 /nfs/dbraw/zinc/96/77/08/425967708.db2.gz OLWWUMGEJRRMKA-UHFFFAOYSA-N 0 3 309.841 2.620 20 70 DFIDHN CC(C)N(CCc1nccs1)C[C@H](O)COCc1ccco1 ZINC000159950735 425971127 /nfs/dbraw/zinc/97/11/27/425971127.db2.gz KNWGDZYRSATWRI-AWEZNQCLSA-N 0 3 324.446 2.567 20 70 DFIDHN Cc1cc(C#N)ccc1C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000160004678 425973568 /nfs/dbraw/zinc/97/35/68/425973568.db2.gz UCHQKQGDZLTBPS-SFHVURJKSA-N 0 3 307.397 2.899 20 70 DFIDHN O=C(NCCCO[C@H]1CCCc2ccccc21)[C@@H]1CCCCN1 ZINC000160123463 425975690 /nfs/dbraw/zinc/97/56/90/425975690.db2.gz RBFWDJWNWYUIIO-ROUUACIJSA-N 0 3 316.445 2.729 20 70 DFIDHN CCCCN(C(=O)C[C@@H]1CNCCO1)[C@@H](C)c1ccccc1 ZINC000160183587 425976647 /nfs/dbraw/zinc/97/66/47/425976647.db2.gz CNONZTPSPBQCFV-DOTOQJQBSA-N 0 3 304.434 2.755 20 70 DFIDHN CC[C@H](N[C@H](CCO)CSC)c1ccc2c(c1)OCCO2 ZINC000160226968 425977668 /nfs/dbraw/zinc/97/76/68/425977668.db2.gz AAEQLMMGGLINOC-KGLIPLIRSA-N 0 3 311.447 2.613 20 70 DFIDHN C[C@H]1C[C@@H](NC(=O)N(C)C2CCC2)CN1Cc1ccccc1 ZINC000160332915 425978869 /nfs/dbraw/zinc/97/88/69/425978869.db2.gz ZUMWYEQMOMVZMY-GOEBONIOSA-N 0 3 301.434 2.843 20 70 DFIDHN CC[C@H](C(=O)N1CCO[C@H](c2ccc(C)cc2C)C1)N(C)C ZINC000161385391 426022440 /nfs/dbraw/zinc/02/24/40/426022440.db2.gz NOXCEBVPYMWVIP-SJORKVTESA-N 0 3 304.434 2.544 20 70 DFIDHN COC(=O)CCC1CCN(Cc2c(C)nc3ccccn32)CC1 ZINC000161444065 426024621 /nfs/dbraw/zinc/02/46/21/426024621.db2.gz UNYIEBZMUVGJOY-UHFFFAOYSA-N 0 3 315.417 2.808 20 70 DFIDHN CC1(C)C[C@@H](NCc2ccccc2N2CCOCC2)C(C)(C)O1 ZINC000161470687 426025626 /nfs/dbraw/zinc/02/56/26/426025626.db2.gz CQSWPUNYAOOZFS-QGZVFWFLSA-N 0 3 318.461 2.959 20 70 DFIDHN CS[C@H](C)CC(=O)N(CCN(C)C)Cc1ccc(F)cc1 ZINC000161500083 426026058 /nfs/dbraw/zinc/02/60/58/426026058.db2.gz QGPFYPRYBDITSO-CYBMUJFWSA-N 0 3 312.454 2.858 20 70 DFIDHN CSCC[C@@H](N)C(=O)N[C@H](C)c1ccc(F)cc1Cl ZINC000161153267 426011749 /nfs/dbraw/zinc/01/17/49/426011749.db2.gz CNKCZUBTFACNBY-PRHODGIISA-N 0 3 304.818 2.737 20 70 DFIDHN CCCN(CCO)Cc1cc(Cl)c(OCC)c(OC)c1 ZINC000161199925 426012973 /nfs/dbraw/zinc/01/29/73/426012973.db2.gz SYADIGAWLFNIAN-UHFFFAOYSA-N 0 3 301.814 2.952 20 70 DFIDHN CSCC[C@@H](N)C(=O)N1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000161248065 426014783 /nfs/dbraw/zinc/01/47/83/426014783.db2.gz GEKRJNOPTLMHTE-NJZAAPMLSA-N 0 3 310.438 2.611 20 70 DFIDHN C[C@H](CC(N)=O)N[C@@H](C)c1cc(Br)ccc1F ZINC000161350962 426020832 /nfs/dbraw/zinc/02/08/32/426020832.db2.gz ZJJGRKLKJQTAFM-SFYZADRCSA-N 0 3 303.175 2.503 20 70 DFIDHN CCc1ccc([C@H](CNC(=O)[C@H]2CCCCO2)N(C)C)cc1 ZINC000161395963 426022089 /nfs/dbraw/zinc/02/20/89/426022089.db2.gz QJPBJEBPDDIRLF-DLBZAZTESA-N 0 3 304.434 2.537 20 70 DFIDHN C[C@H](NCc1ncc[nH]1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218249109 426568334 /nfs/dbraw/zinc/56/83/34/426568334.db2.gz LGUUGDGPLJCSKU-QWHCGFSZSA-N 0 3 308.426 2.535 20 70 DFIDHN CSCCN(C)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000160410788 274175703 /nfs/dbraw/zinc/17/57/03/274175703.db2.gz LETPQNJPWVUDDY-ZBFHGGJFSA-N 0 3 321.490 2.654 20 70 DFIDHN CC[C@@H](C)[C@@H](N)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000159498893 280116634 /nfs/dbraw/zinc/11/66/34/280116634.db2.gz CFKNETXCCHXZBR-HTQZYQBOSA-N 0 3 320.277 2.703 20 70 DFIDHN CN(C)C[C@@H]1CN(Cc2ncc(-c3ccccc3)s2)CCO1 ZINC000160014028 295385142 /nfs/dbraw/zinc/38/51/42/295385142.db2.gz ZCWYMKCDCLHKIX-OAHLLOKOSA-N 0 3 317.458 2.573 20 70 DFIDHN CN(C)CCOc1ccccc1C(=O)NCCC1=CCCC1 ZINC000160227735 295388472 /nfs/dbraw/zinc/38/84/72/295388472.db2.gz IZAFEOFRZZYLFN-UHFFFAOYSA-N 0 3 302.418 2.857 20 70 DFIDHN CCCN(CCN(C)C)C(=O)C1(c2ccc(C)c(OC)c2)CC1 ZINC000160352385 295390108 /nfs/dbraw/zinc/39/01/08/295390108.db2.gz JOTWNGJRMTVATN-UHFFFAOYSA-N 0 3 318.461 2.835 20 70 DFIDHN N#Cc1ccc(C(=O)N2CC[C@H](N3CCCC3)C2)cc1Cl ZINC000160530333 295392641 /nfs/dbraw/zinc/39/26/41/295392641.db2.gz LTQPDSFDFBWUBR-AWEZNQCLSA-N 0 3 303.793 2.522 20 70 DFIDHN CCc1nc(CNC(C)(C)CN(C)Cc2ccccc2)no1 ZINC000161052688 295398292 /nfs/dbraw/zinc/39/82/92/295398292.db2.gz XVBVVEVELAYKRB-UHFFFAOYSA-N 0 3 302.422 2.632 20 70 DFIDHN CN(C(=O)C[C@H]1CNCCO1)c1ccc(-c2ccccc2)cc1 ZINC000161083091 295398466 /nfs/dbraw/zinc/39/84/66/295398466.db2.gz DKFKOAUSDZAPHG-SFHVURJKSA-N 0 3 310.397 2.695 20 70 DFIDHN CCN(CC)[C@H](CNC(=O)c1cc(C)ncn1)c1ccccc1 ZINC000161408064 295402281 /nfs/dbraw/zinc/40/22/81/295402281.db2.gz ZTRJWMMHFPMFHE-QGZVFWFLSA-N 0 3 312.417 2.598 20 70 DFIDHN N#CCC[C@@H](NC(=O)N1CC[C@H](N2CC=CC2)C1)c1ccccc1 ZINC000160719147 332888784 /nfs/dbraw/zinc/88/87/84/332888784.db2.gz MAQVBIWHLOEBSW-ZWKOTPCHSA-N 0 3 324.428 2.687 20 70 DFIDHN CSCC[C@H](N)C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000160309972 525583987 /nfs/dbraw/zinc/58/39/87/525583987.db2.gz RBWUBYKMUDKSJP-NSHDSACASA-N 0 3 306.353 2.810 20 70 DFIDHN O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN2CCC1CC2 ZINC000218299522 398345657 /nfs/dbraw/zinc/34/56/57/398345657.db2.gz ADZQCCBCADLDHM-UHFFFAOYSA-N 0 3 313.228 2.843 20 70 DFIDHN CC[C@@H]1CCCCN1CCNC(=O)c1cccc2[nH]cnc21 ZINC000159531342 186125594 /nfs/dbraw/zinc/12/55/94/186125594.db2.gz DJQAFDHGCKYWHU-CYBMUJFWSA-N 0 3 300.406 2.557 20 70 DFIDHN COc1ccc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1[N+](=O)[O-] ZINC000159588917 186128819 /nfs/dbraw/zinc/12/88/19/186128819.db2.gz BVRYZDPIBVEMKC-WQVCFCJDSA-N 0 3 318.373 2.651 20 70 DFIDHN CCS(=O)(=O)c1ccc([C@H](C)N[C@H](COC)C(C)C)cc1 ZINC000159661692 186133354 /nfs/dbraw/zinc/13/33/54/186133354.db2.gz OWKSNJVEUOVAMN-XJKSGUPXSA-N 0 3 313.463 2.802 20 70 DFIDHN CCS(=O)(=O)c1ccc([C@H](C)N[C@@H](COC)C(C)C)cc1 ZINC000159661403 186133408 /nfs/dbraw/zinc/13/34/08/186133408.db2.gz OWKSNJVEUOVAMN-BBRMVZONSA-N 0 3 313.463 2.802 20 70 DFIDHN FC(F)(F)c1ccnc(N2CCC[C@@H]2CN2CCCCC2)n1 ZINC000160453752 282929270 /nfs/dbraw/zinc/92/92/70/282929270.db2.gz QQJWGCDEVQESMS-GFCCVEGCSA-N 0 3 314.355 2.950 20 70 DFIDHN CCN1CCCC[C@H]1CNC(=O)[C@@H](C)Cc1ccccc1F ZINC000159769195 398965950 /nfs/dbraw/zinc/96/59/50/398965950.db2.gz YAMNDOFIERWYBU-HOCLYGCPSA-N 0 3 306.425 2.995 20 70 DFIDHN CCOCCCN1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000160386133 398970373 /nfs/dbraw/zinc/97/03/73/398970373.db2.gz DKAJHDURECBUIS-UHFFFAOYSA-N 0 3 308.422 2.517 20 70 DFIDHN C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160761613 398972868 /nfs/dbraw/zinc/97/28/68/398972868.db2.gz MVKFYZSQOREWMV-GOSISDBHSA-N 0 3 313.445 2.869 20 70 DFIDHN Cc1nc2n(n1)C[C@H](N[C@H]1CCSc3ccc(F)cc31)CC2 ZINC000160301644 197399349 /nfs/dbraw/zinc/39/93/49/197399349.db2.gz UARLLJPOBKSWQP-OCCSQVGLSA-N 0 3 318.421 2.867 20 70 DFIDHN CCCCn1ncc(NC(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)c1C ZINC000160256050 197395509 /nfs/dbraw/zinc/39/55/09/197395509.db2.gz MCAKRNLNZYFENG-UKRRQHHQSA-N 0 3 321.469 2.938 20 70 DFIDHN CCN1CCCN(C(=O)N[C@@H](c2nc(C)cs2)C2CC2)CC1 ZINC000159910972 197372770 /nfs/dbraw/zinc/37/27/70/197372770.db2.gz VCHFGHPHTMBBKV-CQSZACIVSA-N 0 3 322.478 2.640 20 70 DFIDHN CCN1CCCN(C(=O)NCC2(c3cccc(F)c3)CC2)CC1 ZINC000159890829 197371893 /nfs/dbraw/zinc/37/18/93/197371893.db2.gz BKMPSWKIBVAHQO-UHFFFAOYSA-N 0 3 319.424 2.595 20 70 DFIDHN CC(=O)c1cnc(NC(=O)[C@@H](C)[C@@H](N)c2ccccc2)s1 ZINC000159507242 197359046 /nfs/dbraw/zinc/35/90/46/197359046.db2.gz KUSZRFQVAOLQRF-TVQRCGJNSA-N 0 3 303.387 2.620 20 70 DFIDHN CCN1CCCN(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000159505621 197358546 /nfs/dbraw/zinc/35/85/46/197358546.db2.gz UOKHWSTVOUPLQM-LBPRGKRZSA-N 0 3 311.376 2.763 20 70 DFIDHN COCCc1ccc(Oc2ccc(NC(=O)[C@@H](C)N)cc2)cc1 ZINC000159440154 197353738 /nfs/dbraw/zinc/35/37/38/197353738.db2.gz QWRZDNRCKPSKKW-CYBMUJFWSA-N 0 3 314.385 2.954 20 70 DFIDHN CCN(CCN[C@@H](C)c1cnn(CC)c1)C(=O)OC(C)(C)C ZINC000159475348 197356841 /nfs/dbraw/zinc/35/68/41/197356841.db2.gz VQCYYXHPKBVNBI-ZDUSSCGKSA-N 0 3 310.442 2.811 20 70 DFIDHN COCCN(C)CCN[C@@H](C)c1ccc(F)cc1OC(F)F ZINC000159414636 197351824 /nfs/dbraw/zinc/35/18/24/197351824.db2.gz ACWBVPVPBMXJHO-NSHDSACASA-N 0 3 320.355 2.656 20 70 DFIDHN CCOc1cccc(CN[C@@H](C)c2ccc(-n3cnnn3)cc2)c1 ZINC000159410629 197351409 /nfs/dbraw/zinc/35/14/09/197351409.db2.gz YEIWGBKXGCEIBG-AWEZNQCLSA-N 0 3 323.400 2.912 20 70 DFIDHN CCN(CCOc1ccccc1[N+](=O)[O-])CCc1nccs1 ZINC000159382789 197349606 /nfs/dbraw/zinc/34/96/06/197349606.db2.gz JRKRPKVHLPQZCD-UHFFFAOYSA-N 0 3 321.402 2.995 20 70 DFIDHN c1cc(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c2c(c1)OCCCO2 ZINC000159586542 285441791 /nfs/dbraw/zinc/44/17/91/285441791.db2.gz HMNOHFVWYSRRKZ-WBAXXEDZSA-N 0 3 315.413 2.895 20 70 DFIDHN Cc1ccccc1CN1CCN(C[C@H](O)Cc2ccccc2)CC1 ZINC000218751356 146000317 /nfs/dbraw/zinc/00/03/17/146000317.db2.gz YMYIHFBFXPHHJF-OAQYLSRUSA-N 0 3 324.468 2.716 20 70 DFIDHN COc1ccc(C)cc1[C@H](C)N[C@@H]1CCc2nc(C)nn2C1 ZINC000160423443 425981870 /nfs/dbraw/zinc/98/18/70/425981870.db2.gz WYQHQRLCQKZOPS-GXTWGEPZSA-N 0 3 300.406 2.569 20 70 DFIDHN CCc1nc2c(s1)[C@@H](N[C@H]1CCc3nc(C)nn3C1)CCC2 ZINC000160444121 425982861 /nfs/dbraw/zinc/98/28/61/425982861.db2.gz BOOFKMIJHYGRFX-RYUDHWBXSA-N 0 3 317.462 2.587 20 70 DFIDHN CCc1nc(CN[C@@H](C)c2ccc(-n3ccnc3C)cc2)n[nH]1 ZINC000160490242 425984120 /nfs/dbraw/zinc/98/41/20/425984120.db2.gz JPGHGAIUDZDLGZ-LBPRGKRZSA-N 0 3 310.405 2.712 20 70 DFIDHN COc1cc(CN[C@@H]2CCOC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000160557061 425987533 /nfs/dbraw/zinc/98/75/33/425987533.db2.gz SNIFHQDGQHRVOY-GFCCVEGCSA-N 0 3 324.377 2.659 20 70 DFIDHN CC(C)C[C@H](NC(=O)C[C@H]1CNCCO1)c1ccc(Cl)cc1 ZINC000160559608 425987984 /nfs/dbraw/zinc/98/79/84/425987984.db2.gz BROFNMWPUYGPQN-HOTGVXAUSA-N 0 3 324.852 2.922 20 70 DFIDHN COCCNCC(=O)N[C@H](CC(C)C)c1ccc(Cl)cc1 ZINC000160560013 425988005 /nfs/dbraw/zinc/98/80/05/425988005.db2.gz ORMONORQXVXIMC-OAHLLOKOSA-N 0 3 312.841 2.779 20 70 DFIDHN Cc1ncc([C@H](C)NC[C@H]2CC(=O)Nc3ccccc32)c(C)n1 ZINC000160593403 425988804 /nfs/dbraw/zinc/98/88/04/425988804.db2.gz WYCYNYCOMOPJOB-SMDDNHRTSA-N 0 3 310.401 2.870 20 70 DFIDHN CC(=O)Nc1cccc(CN2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000160733563 425994669 /nfs/dbraw/zinc/99/46/69/425994669.db2.gz WXLSHRQLVUWDMC-SJLPKXTDSA-N 0 3 302.418 2.772 20 70 DFIDHN O=C(/C=C/c1ccc2ccc(Cl)cc2n1)N1CCCNCC1 ZINC000160869073 425999226 /nfs/dbraw/zinc/99/92/26/425999226.db2.gz UJCCRPYYDLYIKX-VOTSOKGWSA-N 0 3 315.804 2.723 20 70 DFIDHN CSCC[C@H](N)C(=O)N(Cc1ccc(F)cc1)CC1CC1 ZINC000160911008 426001465 /nfs/dbraw/zinc/00/14/65/426001465.db2.gz MNSMQCMNMBEYAF-HNNXBMFYSA-N 0 3 310.438 2.645 20 70 DFIDHN Cc1nc2ccccn2c1CN1CCC[C@H]1Cn1ccnc1C ZINC000160965158 426002636 /nfs/dbraw/zinc/00/26/36/426002636.db2.gz CWDILSXWAZGWEI-INIZCTEOSA-N 0 3 309.417 2.812 20 70 DFIDHN O=C(NC1CCN(C2CC2)CC1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000159368889 425959421 /nfs/dbraw/zinc/95/94/21/425959421.db2.gz IBZYWUXTJHAJRP-HOCLYGCPSA-N 0 3 320.383 2.811 20 70 DFIDHN CCN1CCCN(C(=O)NCCSc2ccc(C)cc2)CC1 ZINC000159551981 425962862 /nfs/dbraw/zinc/96/28/62/425962862.db2.gz ZSEXRKDZRIIWIG-UHFFFAOYSA-N 0 3 321.490 2.824 20 70 DFIDHN CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)[C@H](C)N)cc1 ZINC000161031443 426005179 /nfs/dbraw/zinc/00/51/79/426005179.db2.gz DUJLAOPPDOXSLH-IAOVAPTHSA-N 0 3 320.433 2.629 20 70 DFIDHN CCC(=O)N[C@H]1CCCN(CCCc2cccc(OC)c2)C1 ZINC000159940236 425972061 /nfs/dbraw/zinc/97/20/61/425972061.db2.gz LOAUOJAGWMVPGB-INIZCTEOSA-N 0 3 304.434 2.618 20 70 DFIDHN CN(C)Cc1cccc(NC(=O)c2cccc(-c3nc[nH]n3)c2)c1 ZINC000160111628 425974641 /nfs/dbraw/zinc/97/46/41/425974641.db2.gz PJMIMGHYIWKSGP-UHFFFAOYSA-N 0 3 321.384 2.786 20 70 DFIDHN CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NC(=O)[C@H](C)N)cc1 ZINC000161031196 426005461 /nfs/dbraw/zinc/00/54/61/426005461.db2.gz DUJLAOPPDOXSLH-RRQGHBQHSA-N 0 3 320.433 2.629 20 70 DFIDHN CCc1nc(CN(C)C[C@H](C)Cc2ccc(OC)cc2)n[nH]1 ZINC000160169968 425975806 /nfs/dbraw/zinc/97/58/06/425975806.db2.gz DHBAKHHYJFRAPX-CYBMUJFWSA-N 0 3 302.422 2.686 20 70 DFIDHN CCC[C@H](N[C@@H](CC)COC)C(=O)N1CCc2sccc2C1 ZINC000160200299 425976583 /nfs/dbraw/zinc/97/65/83/425976583.db2.gz QOKQJOIVBMPFOH-GJZGRUSLSA-N 0 3 324.490 2.816 20 70 DFIDHN C[C@@H]1C[C@@H](NC(=O)N(C)C2CCC2)CN1Cc1ccccc1 ZINC000160332793 425979093 /nfs/dbraw/zinc/97/90/93/425979093.db2.gz ZUMWYEQMOMVZMY-GDBMZVCRSA-N 0 3 301.434 2.843 20 70 DFIDHN CSC[C@@H](CCO)N[C@@H](C)c1ccc(F)cc1N(C)C ZINC000160344373 425979680 /nfs/dbraw/zinc/97/96/80/425979680.db2.gz KDDVOEYRAXVNJK-WCQYABFASA-N 0 3 300.443 2.656 20 70 DFIDHN C[C@@H]1C[C@H](NC(=O)NC2CCCC2)CN1Cc1ccccc1 ZINC000161431819 426023811 /nfs/dbraw/zinc/02/38/11/426023811.db2.gz WVSGTYWPQBNKBI-PBHICJAKSA-N 0 3 301.434 2.891 20 70 DFIDHN COc1ccc(Br)c(CNC(C)(C)[C@@H](C)O)c1 ZINC000161126082 426010522 /nfs/dbraw/zinc/01/05/22/426010522.db2.gz MLRWYIGZDGVTET-SECBINFHSA-N 0 3 302.212 2.707 20 70 DFIDHN CC[C@@H](C)NC(=O)c1cccc(CN[C@H](COC)C2CC2)c1 ZINC000161150757 426010869 /nfs/dbraw/zinc/01/08/69/426010869.db2.gz VUJWQHUZPYBVGX-CXAGYDPISA-N 0 3 304.434 2.730 20 70 DFIDHN O[C@@H](CN1CC[C@]2(O)CCCC[C@@H]2C1)c1ccc(F)cc1F ZINC000161157104 426010998 /nfs/dbraw/zinc/01/09/98/426010998.db2.gz DJJFMDFRABXHEM-OAUYIBNBSA-N 0 3 311.372 2.625 20 70 DFIDHN COCCCN1CCC(NC(=O)c2ccc(Cl)cc2C)CC1 ZINC000161180254 426012877 /nfs/dbraw/zinc/01/28/77/426012877.db2.gz XNYBBIBVJJOYLV-UHFFFAOYSA-N 0 3 324.852 2.879 20 70 DFIDHN CC[C@H](NC(=O)[C@H](N)CCSC)c1ccc(F)cc1F ZINC000161210348 426013443 /nfs/dbraw/zinc/01/34/43/426013443.db2.gz NPEXBQLIPSLNMM-OLZOCXBDSA-N 0 3 302.390 2.613 20 70 DFIDHN CCN(Cc1ccc(C(=O)N[C@@H](CO)CC(C)C)cc1)C1CC1 ZINC000161247694 426014806 /nfs/dbraw/zinc/01/48/06/426014806.db2.gz PQYAJSJDCNEXSF-QGZVFWFLSA-N 0 3 318.461 2.808 20 70 DFIDHN Cc1ccc(CN[C@H](C)Cn2cc(Br)cn2)cn1 ZINC000161292840 426017888 /nfs/dbraw/zinc/01/78/88/426017888.db2.gz BVYUPONDZDZWTG-LLVKDONJSA-N 0 3 309.211 2.527 20 70 DFIDHN CCn1cnnc1[C@H]1CCCN(CCOc2ccccc2)C1 ZINC000161329301 426019793 /nfs/dbraw/zinc/01/97/93/426019793.db2.gz YUAQKPDYAUXPDP-HNNXBMFYSA-N 0 3 300.406 2.556 20 70 DFIDHN C[C@@H](NCc1cc[nH]n1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218177285 426564533 /nfs/dbraw/zinc/56/45/33/426564533.db2.gz LNHRVRYAKFAROO-OLZOCXBDSA-N 0 3 308.426 2.535 20 70 DFIDHN CSCC[C@H](N)C(=O)N1CC2(CCCC2)c2ccccc21 ZINC000161014183 274176865 /nfs/dbraw/zinc/17/68/65/274176865.db2.gz IWXJKCXTYRVMMX-AWEZNQCLSA-N 0 3 304.459 2.925 20 70 DFIDHN C[C@@H](CN[C@@H]1CCCc2c1cnn2C)N1CCc2ccccc21 ZINC000159937564 278285102 /nfs/dbraw/zinc/28/51/02/278285102.db2.gz MYWJZDFYOYGAPL-WMLDXEAASA-N 0 3 310.445 2.838 20 70 DFIDHN Cc1noc(C)c1[C@H](C)CNC(=O)N[C@@H](C)CN1CCCCC1 ZINC000159613127 295378850 /nfs/dbraw/zinc/37/88/50/295378850.db2.gz OODZMNFODJBJCK-OLZOCXBDSA-N 0 3 322.453 2.569 20 70 DFIDHN O=C(CN1CC[C@@H]2CCCC[C@@H]21)NCCc1ccc(F)cc1 ZINC000159668927 295379895 /nfs/dbraw/zinc/37/98/95/295379895.db2.gz DSQIAWKABVUOPV-RDJZCZTQSA-N 0 3 304.409 2.749 20 70 DFIDHN OCCN[C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000159691093 295380299 /nfs/dbraw/zinc/38/02/99/295380299.db2.gz MKBJYIBIFYFUBG-HNNXBMFYSA-N 0 3 321.218 2.710 20 70 DFIDHN COCCC1(C(=O)NCc2ccc(CN(C)C)cc2)CCC1 ZINC000159713472 295380791 /nfs/dbraw/zinc/38/07/91/295380791.db2.gz DNDAXAWTANXDBK-UHFFFAOYSA-N 0 3 304.434 2.571 20 70 DFIDHN Cc1c(C(=O)NC[C@@H](C)N2CCC(C)CC2)cnn1CC(C)C ZINC000159789275 295381608 /nfs/dbraw/zinc/38/16/08/295381608.db2.gz SXPGRYOYAPFGIO-OAHLLOKOSA-N 0 3 320.481 2.698 20 70 DFIDHN CCCCN(C)CCNC(=O)NCc1cc(C)cc(OC)c1 ZINC000159836477 295382386 /nfs/dbraw/zinc/38/23/86/295382386.db2.gz GDUVAUHAKFAPMQ-UHFFFAOYSA-N 0 3 307.438 2.535 20 70 DFIDHN CN(C)Cc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3)cc1 ZINC000159982426 295384670 /nfs/dbraw/zinc/38/46/70/295384670.db2.gz PYXVBVUZWTYMLX-UHFFFAOYSA-N 0 3 323.396 2.885 20 70 DFIDHN CC(C)[C@@H](CNC(=O)[C@@H]1CCC(=O)C[C@@H]1C)N1CCC(C)CC1 ZINC000160005515 295385002 /nfs/dbraw/zinc/38/50/02/295385002.db2.gz ORIMPQBXSWHWLD-CGTJXYLNSA-N 0 3 322.493 2.864 20 70 DFIDHN Cc1ccc(CNc2ccc(OC3CCN(C)CC3)nc2)nc1 ZINC000160081337 295386250 /nfs/dbraw/zinc/38/62/50/295386250.db2.gz PYBVSGSAIUOPOP-UHFFFAOYSA-N 0 3 312.417 2.870 20 70 DFIDHN C[C@H](C(=O)NCCCN(C)Cc1ccccc1)C1CCOCC1 ZINC000160404472 295390664 /nfs/dbraw/zinc/39/06/64/295390664.db2.gz OJKCQKLTJDSGAJ-INIZCTEOSA-N 0 3 318.461 2.687 20 70 DFIDHN CC(C)CN1CCC[C@@H]1CNC(=O)c1cc(-c2ccco2)on1 ZINC000160490668 295392165 /nfs/dbraw/zinc/39/21/65/295392165.db2.gz UTOUMFMXJWKXCF-CYBMUJFWSA-N 0 3 317.389 2.785 20 70 DFIDHN O=C(CCN1CCC(c2cc[nH]n2)CC1)Nc1ccc(F)cc1 ZINC000160549517 295392611 /nfs/dbraw/zinc/39/26/11/295392611.db2.gz HWQSBZKVVCNICJ-UHFFFAOYSA-N 0 3 316.380 2.757 20 70 DFIDHN C[C@@H](NCC(=O)NCC(F)(F)F)c1cc2c(s1)CCC2 ZINC000160576234 295393043 /nfs/dbraw/zinc/39/30/43/295393043.db2.gz GHWIRLZJIYXKMU-MRVPVSSYSA-N 0 3 306.353 2.566 20 70 DFIDHN Cn1cc(C2CCN(Cc3ccc(-n4cccn4)cc3)CC2)cn1 ZINC000160631815 295393902 /nfs/dbraw/zinc/39/39/02/295393902.db2.gz KVHBJEISXNXOAN-UHFFFAOYSA-N 0 3 321.428 2.985 20 70 DFIDHN COCCN1CCC(NC(=O)CC2CCC(C)(C)CC2)CC1 ZINC000161349426 295402103 /nfs/dbraw/zinc/40/21/03/295402103.db2.gz ZJZWQHCPDFZUOX-UHFFFAOYSA-N 0 3 310.482 2.820 20 70 DFIDHN C=C(Cl)CN[C@@H](C)C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC000161001938 332179215 /nfs/dbraw/zinc/17/92/15/332179215.db2.gz XGWNMFJQIUVEJB-QWHCGFSZSA-N 0 3 318.845 2.743 20 70 DFIDHN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1cnc(C2CCCC2)s1 ZINC000159552111 518184333 /nfs/dbraw/zinc/18/43/33/518184333.db2.gz IHUHSGYFXHKZIJ-WCQYABFASA-N 0 3 307.463 2.887 20 70 DFIDHN CC(C)N(C(=O)[C@@H](C)N1CC[C@]2(O)CCCC[C@@H]2C1)C(C)C ZINC000160527903 519568681 /nfs/dbraw/zinc/56/86/81/519568681.db2.gz MOGULLWSQXXFGN-JFIYKMOQSA-N 0 3 310.482 2.647 20 70 DFIDHN CCCN1CCCN(C(=O)Cc2cc(Cl)ccc2OC)CC1 ZINC000160390555 519849507 /nfs/dbraw/zinc/84/95/07/519849507.db2.gz HCOBJSQTWQJCGQ-UHFFFAOYSA-N 0 3 324.852 2.835 20 70 DFIDHN CN1CCC(C(=O)NC[C@@H]2C[C@@]23CCCc2ccccc23)CC1 ZINC000159636267 523751054 /nfs/dbraw/zinc/75/10/54/523751054.db2.gz PBNYKEWXJCFIRL-PXNSSMCTSA-N 0 3 312.457 2.739 20 70 DFIDHN FC(F)(F)c1nnc(NCCCNCc2cccnc2)s1 ZINC000160367136 527690987 /nfs/dbraw/zinc/69/09/87/527690987.db2.gz OAABWIDFLWZCHE-UHFFFAOYSA-N 0 3 317.340 2.544 20 70 DFIDHN Cc1cccc(CN(CCN(C)C)C(=O)c2cccc(F)n2)c1 ZINC000159635395 186131674 /nfs/dbraw/zinc/13/16/74/186131674.db2.gz FQBSSQVMNPKFTG-UHFFFAOYSA-N 0 3 315.392 2.733 20 70 DFIDHN Cc1ccc(C(=O)CCN2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000159696597 186136535 /nfs/dbraw/zinc/13/65/35/186136535.db2.gz VFEFWCFYTYCYIW-INIZCTEOSA-N 0 3 312.417 2.572 20 70 DFIDHN CCN1CCCN(C(=O)N[C@@H](C)Cc2ccccc2C)CC1 ZINC000159699477 186136647 /nfs/dbraw/zinc/13/66/47/186136647.db2.gz UDROSZWSSIILQA-INIZCTEOSA-N 0 3 303.450 2.663 20 70 DFIDHN CCCN(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000159697258 283269176 /nfs/dbraw/zinc/26/91/76/283269176.db2.gz RZXNAFLAKXEEMY-UHFFFAOYSA-N 0 3 315.373 2.669 20 70 DFIDHN CCCCN(C)CCNC(=O)c1coc(-c2ccccc2)n1 ZINC000159952160 398967437 /nfs/dbraw/zinc/96/74/37/398967437.db2.gz RZEWXWCSCYFNAI-UHFFFAOYSA-N 0 3 301.390 2.803 20 70 DFIDHN CC(C)(NC(=O)N[C@@H]1CCN(CC2CC2)C1)c1cccc(F)c1 ZINC000160663429 398971879 /nfs/dbraw/zinc/97/18/79/398971879.db2.gz HKCWQXUMTSIBNY-MRXNPFEDSA-N 0 3 319.424 2.844 20 70 DFIDHN CC[C@H](NCCSCC(=O)OC)c1ccc(F)cc1F ZINC000160892608 398973026 /nfs/dbraw/zinc/97/30/26/398973026.db2.gz TVMZCLFVLAJYCX-ZDUSSCGKSA-N 0 3 303.374 2.912 20 70 DFIDHN CCCc1ccc([C@@H](C)NCC(=O)NCC(F)(F)F)cc1 ZINC000160561445 197421605 /nfs/dbraw/zinc/42/16/05/197421605.db2.gz NIRUSMKCSYGROR-LLVKDONJSA-N 0 3 302.340 2.968 20 70 DFIDHN CC(C)(CO)CCCNC(=O)c1cccc(CN2CCCC2)c1 ZINC000160353201 197403132 /nfs/dbraw/zinc/40/31/32/197403132.db2.gz ZYOTUJMPJJZWPZ-UHFFFAOYSA-N 0 3 318.461 2.811 20 70 DFIDHN Cc1ccsc1[C@H]1C[C@H]1C(=O)NC1CCN(C2CC2)CC1 ZINC000160242826 197395228 /nfs/dbraw/zinc/39/52/28/197395228.db2.gz GHZFQGIJLIWZBO-LSDHHAIUSA-N 0 3 304.459 2.903 20 70 DFIDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1cc(Cl)nc(N)n1 ZINC000160244255 197395007 /nfs/dbraw/zinc/39/50/07/197395007.db2.gz NRJDDLGXWVHTND-YPMHNXCESA-N 0 3 317.824 2.645 20 70 DFIDHN C[C@@H]1C[C@@H](NC(=O)N(C)CC2CC2)CN1Cc1ccccc1 ZINC000159892986 197371543 /nfs/dbraw/zinc/37/15/43/197371543.db2.gz OSHSTDKUCXAMAL-RHSMWYFYSA-N 0 3 301.434 2.701 20 70 DFIDHN CCN1CCCN(C(=O)N[C@H](C)Cc2ccc(C)s2)CC1 ZINC000159888227 197371003 /nfs/dbraw/zinc/37/10/03/197371003.db2.gz LZYYKFZXPBQXDZ-CYBMUJFWSA-N 0 3 309.479 2.725 20 70 DFIDHN CC[C@@H](NC[C@@H](C)N1CCc2sccc2C1)c1cnn(C)c1 ZINC000159848776 197368547 /nfs/dbraw/zinc/36/85/47/197368547.db2.gz TYVMOXRJUXZAIT-CZUORRHYSA-N 0 3 318.490 2.969 20 70 DFIDHN CCN1CCCN(C(=O)N[C@@H](C)CCc2ccccc2)CC1 ZINC000159510167 197360347 /nfs/dbraw/zinc/36/03/47/197360347.db2.gz NQZZAWXVDTVIKC-INIZCTEOSA-N 0 3 303.450 2.745 20 70 DFIDHN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)[C@@H](C)N ZINC000159456893 197355299 /nfs/dbraw/zinc/35/52/99/197355299.db2.gz ADIWSSFZJNTTQF-MNOVXSKESA-N 0 3 303.431 2.951 20 70 DFIDHN CN(Cc1ccc(Br)c([N+](=O)[O-])c1)CC(C)(C)O ZINC000159433916 197353579 /nfs/dbraw/zinc/35/35/79/197353579.db2.gz OJGISRFWLMHVJY-UHFFFAOYSA-N 0 3 317.183 2.560 20 70 DFIDHN COCC(C)(C)C(=O)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000160382606 284786916 /nfs/dbraw/zinc/78/69/16/284786916.db2.gz HYQBLKHAFBCKFF-INIZCTEOSA-N 0 3 304.434 2.612 20 70 DFIDHN COCCN(C)CCN[C@@H](C)c1cc(Cl)ccc1OC ZINC000159406001 197351104 /nfs/dbraw/zinc/35/11/04/197351104.db2.gz ODAODGTWASPTJD-LBPRGKRZSA-N 0 3 300.830 2.577 20 70 DFIDHN CC(=O)Nc1cccc(NC(=O)[C@@H](C)N2C[C@H](C)C[C@H](C)C2)c1 ZINC000218675473 542879204 /nfs/dbraw/zinc/87/92/04/542879204.db2.gz PYQFMLQXVQRQHE-HZSPNIEDSA-N 0 3 317.433 2.950 20 70 DFIDHN C[C@H](N[C@@H]1CCCN(c2ccccc2C#N)C1)c1cnccn1 ZINC000159476943 145219533 /nfs/dbraw/zinc/21/95/33/145219533.db2.gz LDWOTXXSRHIUTI-GOEBONIOSA-N 0 3 307.401 2.668 20 70 DFIDHN C[C@H]1CCCC[N@@H+]1CCCNC(=O)Cc1ccc([O-])cc1Cl ZINC000159570005 145220213 /nfs/dbraw/zinc/22/02/13/145220213.db2.gz MVXJFAYXKVEDKE-ZDUSSCGKSA-N 0 3 324.852 2.969 20 70 DFIDHN C[C@H]1CCCC[N@H+]1CCCNC(=O)Cc1ccc([O-])cc1Cl ZINC000159570005 145220216 /nfs/dbraw/zinc/22/02/16/145220216.db2.gz MVXJFAYXKVEDKE-ZDUSSCGKSA-N 0 3 324.852 2.969 20 70 DFIDHN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)[C@H](N)C(C)C)cc1 ZINC000161103043 292235871 /nfs/dbraw/zinc/23/58/71/292235871.db2.gz GQZABGWISMJXBU-BBWFWOEESA-N 0 3 304.434 2.562 20 70 DFIDHN C[C@@H](C(=O)N(C)CCC1CCOCC1)[C@H](N)c1ccccc1 ZINC000160353106 425980860 /nfs/dbraw/zinc/98/08/60/425980860.db2.gz CUDDDGSZUXFKRY-PBHICJAKSA-N 0 3 304.434 2.598 20 70 DFIDHN Cc1nc2n(n1)C[C@H](N[C@H](C)c1ccccc1OC(F)F)CC2 ZINC000160416793 425981861 /nfs/dbraw/zinc/98/18/61/425981861.db2.gz RUGLVTVADYMYFC-ZYHUDNBSSA-N 0 3 322.359 2.854 20 70 DFIDHN COc1cccc(Cl)c1CC(=O)N1CC[C@@H]2CC[C@H](C1)N2C ZINC000160435474 425982911 /nfs/dbraw/zinc/98/29/11/425982911.db2.gz TWHRLSSAARDOMV-QWHCGFSZSA-N 0 3 322.836 2.586 20 70 DFIDHN COc1ccc(CN[C@@H]2CCOC(C)(C)C2)c(OC)c1OC ZINC000160462094 425983072 /nfs/dbraw/zinc/98/30/72/425983072.db2.gz FLBPWMPUHPECBK-CYBMUJFWSA-N 0 3 309.406 2.760 20 70 DFIDHN COc1cc(OC)c(OC)cc1CN[C@@H]1CCOC(C)(C)C1 ZINC000160471536 425983773 /nfs/dbraw/zinc/98/37/73/425983773.db2.gz SINYMZYDHFXZSX-CYBMUJFWSA-N 0 3 309.406 2.760 20 70 DFIDHN CCOc1ccccc1[C@@H](C)N[C@@H]1CCc2nc(C)nn2C1 ZINC000160526994 425985701 /nfs/dbraw/zinc/98/57/01/425985701.db2.gz WNARQSYWUCYUSS-TZMCWYRMSA-N 0 3 300.406 2.651 20 70 DFIDHN CCCN(CCN(CC)CC)C(=O)C(=O)c1ccc(C)cc1 ZINC000160541572 425986863 /nfs/dbraw/zinc/98/68/63/425986863.db2.gz BSQYAMAQLFZYPD-UHFFFAOYSA-N 0 3 304.434 2.758 20 70 DFIDHN CC(C)C[C@@H](NC(=O)C[C@@H]1CNCCO1)c1ccc(Cl)cc1 ZINC000160559472 425987577 /nfs/dbraw/zinc/98/75/77/425987577.db2.gz BROFNMWPUYGPQN-HZPDHXFCSA-N 0 3 324.852 2.922 20 70 DFIDHN CC(=O)Nc1cccc(CN2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000160733690 425994047 /nfs/dbraw/zinc/99/40/47/425994047.db2.gz WXLSHRQLVUWDMC-AEFFLSMTSA-N 0 3 302.418 2.772 20 70 DFIDHN COC[C@@H](N[C@@H](CN1CCCC1=O)c1ccccc1)C(C)C ZINC000160752870 425994092 /nfs/dbraw/zinc/99/40/92/425994092.db2.gz WRPWOHSYQFZJBZ-DLBZAZTESA-N 0 3 304.434 2.611 20 70 DFIDHN C[C@]1(CNc2nccnc2C#N)CCCN1Cc1ccccc1 ZINC000160793624 425996862 /nfs/dbraw/zinc/99/68/62/425996862.db2.gz XKAYHDGZOWTXEL-GOSISDBHSA-N 0 3 307.401 2.815 20 70 DFIDHN CC[C@@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000160836030 425997569 /nfs/dbraw/zinc/99/75/69/425997569.db2.gz PNXXWGWHORGWSV-WXHSDQCUSA-N 0 3 302.340 2.650 20 70 DFIDHN Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N1CCCNCC1 ZINC000160855814 425998517 /nfs/dbraw/zinc/99/85/17/425998517.db2.gz HYZIEECJZNLGLJ-HNNXBMFYSA-N 0 3 303.450 2.887 20 70 DFIDHN C[C@@H](CN[C@H]1CCCc2c1cnn2C)N(C)Cc1ccccc1 ZINC000160894080 425999868 /nfs/dbraw/zinc/99/98/68/425999868.db2.gz AYCPYLROKHEHHB-YJBOKZPZSA-N 0 3 312.461 2.908 20 70 DFIDHN COc1ccc(CNC(=O)CN[C@H]2c3ccccc3C[C@@H]2C)cc1 ZINC000160975069 426004642 /nfs/dbraw/zinc/00/46/42/426004642.db2.gz FIWMCZKHLNCFAZ-VBKZILBWSA-N 0 3 324.424 2.835 20 70 DFIDHN C[C@@H]1CN(CCOc2cccc(Br)c2)CC[C@@H]1O ZINC000159471770 425960063 /nfs/dbraw/zinc/96/00/63/425960063.db2.gz OXWCSIDLBAIBBP-RISCZKNCSA-N 0 3 314.223 2.531 20 70 DFIDHN CCC(CC)c1cc(CNC(=O)N2CCCN(CC)CC2)on1 ZINC000159911827 425970010 /nfs/dbraw/zinc/97/00/10/425970010.db2.gz WUHFEAAHSLUBCI-UHFFFAOYSA-N 0 3 322.453 2.815 20 70 DFIDHN C[C@@H](C1CC1)N(C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000159929965 425970337 /nfs/dbraw/zinc/97/03/37/425970337.db2.gz GDBVIJBVHLRUBY-VKJFTORMSA-N 0 3 315.461 2.947 20 70 DFIDHN CCN1CCCN(C(=O)N[C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000160012756 425972570 /nfs/dbraw/zinc/97/25/70/425972570.db2.gz JOIFLFOUBQTJDK-INIZCTEOSA-N 0 3 323.481 2.606 20 70 DFIDHN Cn1cccc1CNc1ccc(OC2CCN(C)CC2)nc1 ZINC000160169448 425975056 /nfs/dbraw/zinc/97/50/56/425975056.db2.gz TYUAIRVSSTUBJV-UHFFFAOYSA-N 0 3 300.406 2.505 20 70 DFIDHN CCCCN(C(=O)C[C@H]1CNCCO1)[C@H](C)c1ccccc1 ZINC000160183998 425976720 /nfs/dbraw/zinc/97/67/20/425976720.db2.gz CNONZTPSPBQCFV-WBVHZDCISA-N 0 3 304.434 2.755 20 70 DFIDHN CC[C@@H](N[C@@H](CCO)CSC)c1ccc(OC)c(OC)c1 ZINC000160243611 425977148 /nfs/dbraw/zinc/97/71/48/425977148.db2.gz KHWHIOOTMKFVGU-UONOGXRCSA-N 0 3 313.463 2.859 20 70 DFIDHN CC[C@@H](N[C@H](CCO)CSC)c1ccc2c(c1)OCCO2 ZINC000160227110 425978359 /nfs/dbraw/zinc/97/83/59/425978359.db2.gz AAEQLMMGGLINOC-ZIAGYGMSSA-N 0 3 311.447 2.613 20 70 DFIDHN CCc1nc(C)c([C@@H](C)N[C@H]2CCc3nc(C)nn3C2)s1 ZINC000160316046 425979864 /nfs/dbraw/zinc/97/98/64/425979864.db2.gz HPMBPQYNWUXGSB-SKDRFNHKSA-N 0 3 305.451 2.579 20 70 DFIDHN CC1(C)C[C@H](NCc2ccccc2N2CCOCC2)C(C)(C)O1 ZINC000161470596 426025238 /nfs/dbraw/zinc/02/52/38/426025238.db2.gz CQSWPUNYAOOZFS-KRWDZBQOSA-N 0 3 318.461 2.959 20 70 DFIDHN CCc1ncc(NC(=O)N2CCN(C3CCCCC3)CC2)cn1 ZINC000161194994 426012548 /nfs/dbraw/zinc/01/25/48/426012548.db2.gz LBYCRHPPJDOWJS-UHFFFAOYSA-N 0 3 317.437 2.521 20 70 DFIDHN CCC[C@@H](C(=O)NC[C@@H](c1ccco1)N1CCCCC1)N(C)C ZINC000161224661 426014255 /nfs/dbraw/zinc/01/42/55/426014255.db2.gz UAJBCTDAQLNHBQ-HOTGVXAUSA-N 0 3 321.465 2.653 20 70 DFIDHN CCC[C@H](C(=O)N[C@H](C)c1cc(OC)ccc1OC)N(C)C ZINC000161281011 426017151 /nfs/dbraw/zinc/01/71/51/426017151.db2.gz QUMONAUAHHBFGQ-IUODEOHRSA-N 0 3 308.422 2.611 20 70 DFIDHN CCn1cnnc1[C@H]1CCCN(CCOc2ccc(F)cc2)C1 ZINC000161328224 426018355 /nfs/dbraw/zinc/01/83/55/426018355.db2.gz DGMPOYKXVWXXHN-AWEZNQCLSA-N 0 3 318.396 2.696 20 70 DFIDHN CCn1cnnc1[C@@H]1CCCN(CCOc2cccc(C)c2)C1 ZINC000161327822 426018861 /nfs/dbraw/zinc/01/88/61/426018861.db2.gz XIBGEZNNVSYJKX-MRXNPFEDSA-N 0 3 314.433 2.865 20 70 DFIDHN CC(C)C[C@H](CN(C)C)NC(=O)CCc1ccc(F)cc1F ZINC000161331410 426019621 /nfs/dbraw/zinc/01/96/21/426019621.db2.gz SFUSLQIKNNRJIF-OAHLLOKOSA-N 0 3 312.404 2.990 20 70 DFIDHN CC(C)C[C@@H](CN(C)C)NC(=O)c1ccc(N(C)C)cc1F ZINC000161330297 426019627 /nfs/dbraw/zinc/01/96/27/426019627.db2.gz LMYIWAFCNKQZHS-ZDUSSCGKSA-N 0 3 309.429 2.598 20 70 DFIDHN CN(CCc1ccncc1)CCN(C)Cc1ccc(F)cc1 ZINC000161355931 426021309 /nfs/dbraw/zinc/02/13/09/426021309.db2.gz MLCRFBWOPXDOSY-UHFFFAOYSA-N 0 3 301.409 2.827 20 70 DFIDHN CSC[C@@](C)(O)CNCc1ccc(Br)cc1F ZINC000217853794 426565215 /nfs/dbraw/zinc/56/52/15/426565215.db2.gz JOIGIHRTJKCXBP-LBPRGKRZSA-N 0 3 322.243 2.792 20 70 DFIDHN CCCn1c(CNC[C@](C)(O)CSC)nc2ccccc21 ZINC000217855368 426566257 /nfs/dbraw/zinc/56/62/57/426566257.db2.gz LMMXSXDKJKNERY-INIZCTEOSA-N 0 3 307.463 2.650 20 70 DFIDHN CCC[C@H](C(=O)N(C)Cc1nc2ccccc2s1)N(C)C ZINC000161281982 276037144 /nfs/dbraw/zinc/03/71/44/276037144.db2.gz RNGFXLRSAORJNO-CYBMUJFWSA-N 0 3 305.447 2.985 20 70 DFIDHN CCc1nc2c(s1)[C@H](N[C@@H]1CCc3nc(C)nn3C1)CCC2 ZINC000160443714 276692692 /nfs/dbraw/zinc/69/26/92/276692692.db2.gz BOOFKMIJHYGRFX-VXGBXAGGSA-N 0 3 317.462 2.587 20 70 DFIDHN CC(C)c1ccc(CN2C[C@H](C(N)=O)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000159605527 278036921 /nfs/dbraw/zinc/03/69/21/278036921.db2.gz KAXZVXFYBQVIQO-GXTWGEPZSA-N 0 3 319.405 2.804 20 70 DFIDHN CSCC[C@@H](N)C(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000161294366 278131343 /nfs/dbraw/zinc/13/13/43/278131343.db2.gz RTPUWOJNHITMQX-SQWLQELKSA-N 0 3 306.475 2.780 20 70 DFIDHN CC(C)N(C(=O)CN1CC[C@]2(O)CCCC[C@@H]2C1)C1CCCC1 ZINC000161139771 279284175 /nfs/dbraw/zinc/28/41/75/279284175.db2.gz PGPLFMBGMULYLW-VQIMIIECSA-N 0 3 322.493 2.793 20 70 DFIDHN CC[C@@H](c1ccncc1)N(C)C(=O)NC[C@@H]1CCCN(C)C1 ZINC000159456575 295377064 /nfs/dbraw/zinc/37/70/64/295377064.db2.gz MDBCHSBKVJKPMK-HOCLYGCPSA-N 0 3 304.438 2.516 20 70 DFIDHN CC[C@H](C)OCC(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000159727358 295380647 /nfs/dbraw/zinc/38/06/47/295380647.db2.gz SYPZOPCXEUTINF-FUHWJXTLSA-N 0 3 318.461 2.925 20 70 DFIDHN CC[C@H](c1ccccc1)S(=O)(=O)C(C)C(=O)NCC(C)C ZINC000160436853 295391103 /nfs/dbraw/zinc/39/11/03/295391103.db2.gz 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523750008 /nfs/dbraw/zinc/75/00/08/523750008.db2.gz PBNYKEWXJCFIRL-YLJYHZDGSA-N 0 3 312.457 2.739 20 70 DFIDHN Cc1cc(C(=O)N2CCCNCC2)c(C)n1-c1ccccc1C ZINC000160872218 526245597 /nfs/dbraw/zinc/24/55/97/526245597.db2.gz YCNWSARAPVTGAW-UHFFFAOYSA-N 0 3 311.429 2.838 20 70 DFIDHN CN1CC[C@@H]2CN(C(=O)c3cccc4c5c([nH]c43)CCCC5)C[C@@H]21 ZINC000216961040 398345530 /nfs/dbraw/zinc/34/55/30/398345530.db2.gz CVMSARLQQXEWKN-ACJLOTCBSA-N 0 3 323.440 2.823 20 70 DFIDHN CC(C)[C@H](C(=O)NCCCO[C@@H](C)c1ccccc1)N(C)C ZINC000159702390 186136296 /nfs/dbraw/zinc/13/62/96/186136296.db2.gz QMMOOEADNIJIGZ-DOTOQJQBSA-N 0 3 306.450 2.857 20 70 DFIDHN COCCOC1CCN(CCC(=O)c2ccc(C)cc2)CC1 ZINC000159721969 186137563 /nfs/dbraw/zinc/13/75/63/186137563.db2.gz RYCIOYOHNXKJIC-UHFFFAOYSA-N 0 3 305.418 2.695 20 70 DFIDHN CC(C)N1CCC(NC(=O)c2csc([C@@H]3CCCO3)n2)CC1 ZINC000160240898 197395046 /nfs/dbraw/zinc/39/50/46/197395046.db2.gz WQLOQVHGWLGNGY-AWEZNQCLSA-N 0 3 323.462 2.597 20 70 DFIDHN CCCCn1ncc(NC(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)c1C ZINC000160256159 197395558 /nfs/dbraw/zinc/39/55/58/197395558.db2.gz MCAKRNLNZYFENG-HIFRSBDPSA-N 0 3 321.469 2.938 20 70 DFIDHN CC(C)N1CCC(NC(=O)c2csc([C@H]3CCCO3)n2)CC1 ZINC000160241016 197394482 /nfs/dbraw/zinc/39/44/82/197394482.db2.gz WQLOQVHGWLGNGY-CQSZACIVSA-N 0 3 323.462 2.597 20 70 DFIDHN CCN1CCCN(C(=O)NC[C@@H](c2cccnc2)C(C)C)CC1 ZINC000159958004 197376228 /nfs/dbraw/zinc/37/62/28/197376228.db2.gz GMWAKMZYTDRQGF-QGZVFWFLSA-N 0 3 318.465 2.558 20 70 DFIDHN CN(CC#Cc1ccc(F)cc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000159885647 197370817 /nfs/dbraw/zinc/37/08/17/197370817.db2.gz QZLDQKCBPAFYFH-SFHVURJKSA-N 0 3 324.403 2.568 20 70 DFIDHN CCN1CCCN(C(=O)NCc2nc(C(C)(C)C)cs2)CC1 ZINC000159825594 197366979 /nfs/dbraw/zinc/36/69/79/197366979.db2.gz DVXCIVQRUBIEEH-UHFFFAOYSA-N 0 3 324.494 2.678 20 70 DFIDHN CCN1CCCN(C(=O)N[C@@H](C)c2ccc(F)cc2F)CC1 ZINC000159505171 197358733 /nfs/dbraw/zinc/35/87/33/197358733.db2.gz LUNILUTVOUKUJM-LBPRGKRZSA-N 0 3 311.376 2.763 20 70 DFIDHN CCCCn1ncc(NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c1C ZINC000160177227 542720684 /nfs/dbraw/zinc/72/06/84/542720684.db2.gz PPZLXHVYPBMUHK-CABCVRRESA-N 0 3 319.453 2.692 20 70 DFIDHN Brc1ccc(CN[C@@H]2CCOC2)c2ncccc12 ZINC000160336529 542723047 /nfs/dbraw/zinc/72/30/47/542723047.db2.gz QRAHDHCBQTUVKA-LLVKDONJSA-N 0 3 307.191 2.876 20 70 DFIDHN Cc1ccc(CN[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1 ZINC000217914142 268139976 /nfs/dbraw/zinc/13/99/76/268139976.db2.gz JSVUZXRGYCLKGU-OAHLLOKOSA-N 0 3 305.422 2.879 20 70 DFIDHN Cc1nc2n(n1)C[C@H](N[C@@H]1CC(C)(C)Cc3occc31)CC2 ZINC000160400174 425981280 /nfs/dbraw/zinc/98/12/80/425981280.db2.gz AIBSNICTRPFWGE-TZMCWYRMSA-N 0 3 300.406 2.798 20 70 DFIDHN NC1(C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)CCCCC1 ZINC000160398724 425981998 /nfs/dbraw/zinc/98/19/98/425981998.db2.gz RDPSKDSDLXYPEM-OAHLLOKOSA-N 0 3 304.409 2.878 20 70 DFIDHN O=C(NCCN1CCCCC1)c1cc(F)cc2cccnc21 ZINC000160486017 425983834 /nfs/dbraw/zinc/98/38/34/425983834.db2.gz OXLYPHORVPRXDQ-UHFFFAOYSA-N 0 3 301.365 2.590 20 70 DFIDHN CCc1oc(C(=O)OC)cc1CN1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160489972 425984127 /nfs/dbraw/zinc/98/41/27/425984127.db2.gz GPKBZGFOGVNGER-KDOFPFPSSA-N 0 3 321.417 2.756 20 70 DFIDHN CC[C@H](C(=O)N1CCC(Nc2ccccc2F)CC1)N(C)C ZINC000160814546 425998066 /nfs/dbraw/zinc/99/80/66/425998066.db2.gz RZIHOHLTHKEYKX-MRXNPFEDSA-N 0 3 307.413 2.569 20 70 DFIDHN CC[C@@H](NC[C@H]1CN(C2CC2)CCO1)c1ccc(F)cc1F ZINC000160912712 426001583 /nfs/dbraw/zinc/00/15/83/426001583.db2.gz AWZISMKUPUFSRQ-WMLDXEAASA-N 0 3 310.388 2.869 20 70 DFIDHN CCC(=O)N1CCCN(CCCc2cccc(OC)c2)CC1 ZINC000159467123 425960861 /nfs/dbraw/zinc/96/08/61/425960861.db2.gz RRZWKQJESOHMIS-UHFFFAOYSA-N 0 3 304.434 2.572 20 70 DFIDHN C=CCOc1ccc(CN2C[C@@H](C(N)=O)CC[C@@H]2C)cc1Cl ZINC000159516274 425961741 /nfs/dbraw/zinc/96/17/41/425961741.db2.gz KALKNGISZSYSLI-JSGCOSHPSA-N 0 3 322.836 2.991 20 70 DFIDHN CCN(CC)[C@H](CNCc1cn(C)nc1C)c1ccccc1 ZINC000159562995 425963349 /nfs/dbraw/zinc/96/33/49/425963349.db2.gz DRJLXBQWUHGTQK-GOSISDBHSA-N 0 3 300.450 2.901 20 70 DFIDHN CCCOc1ccc(CN2C[C@@H](C(N)=O)CC[C@@H]2C)cc1OC ZINC000159633352 425964269 /nfs/dbraw/zinc/96/42/69/425964269.db2.gz SPDYYUBEVXSQNL-ZFWWWQNUSA-N 0 3 320.433 2.570 20 70 DFIDHN CC(C)[C@@H](C)NC(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000159723804 425967138 /nfs/dbraw/zinc/96/71/38/425967138.db2.gz DWKYHZQFJZKYNL-OAHLLOKOSA-N 0 3 318.465 2.984 20 70 DFIDHN CC(=O)N1CC[C@@H](N[C@@H](C)c2cccc(Br)c2)C1 ZINC000159814993 425967305 /nfs/dbraw/zinc/96/73/05/425967305.db2.gz YCZZNFLWZWRVDW-IINYFYTJSA-N 0 3 311.223 2.721 20 70 DFIDHN CCCCN(C)CCNC(=O)N(C)[C@H](CC)c1ccncc1 ZINC000159813347 425968064 /nfs/dbraw/zinc/96/80/64/425968064.db2.gz BFACYYJCORNCCD-MRXNPFEDSA-N 0 3 306.454 2.906 20 70 DFIDHN CCN1CCCN(C(=O)N[C@H](C)c2ccc(C)c(F)c2)CC1 ZINC000159968962 425971441 /nfs/dbraw/zinc/97/14/41/425971441.db2.gz ZMKOBIMBYRMOQF-CQSZACIVSA-N 0 3 307.413 2.932 20 70 DFIDHN C=CCN(CC=C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000159950782 425971666 /nfs/dbraw/zinc/97/16/66/425971666.db2.gz WCQYLRSPSGCHJH-WMZOPIPTSA-N 0 3 313.445 2.891 20 70 DFIDHN COc1cc(CNCC2(CO)CCCC2)cc(Cl)c1OC ZINC000160094345 425974511 /nfs/dbraw/zinc/97/45/11/425974511.db2.gz JXJAZMGTVBLQSW-UHFFFAOYSA-N 0 3 313.825 3.000 20 70 DFIDHN OCCCCCN1C[C@@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000161028174 426005468 /nfs/dbraw/zinc/00/54/68/426005468.db2.gz VTPJSSBZRURGAQ-GJZGRUSLSA-N 0 3 317.351 2.976 20 70 DFIDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ncccc1[N+](=O)[O-] ZINC000160215497 425976065 /nfs/dbraw/zinc/97/60/65/425976065.db2.gz UTRAODIJUMOPFZ-HIFRSBDPSA-N 0 3 312.373 2.922 20 70 DFIDHN C[C@@H](CN1CCCCC1)NC(=O)c1c(F)cc(F)cc1F ZINC000160361088 425980298 /nfs/dbraw/zinc/98/02/98/425980298.db2.gz WEXVVNIUVHMLFN-JTQLQIEISA-N 0 3 300.324 2.708 20 70 DFIDHN O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@@H]1CCCCO1 ZINC000161416076 426022571 /nfs/dbraw/zinc/02/25/71/426022571.db2.gz FCCAICBOHMLVQF-SJORKVTESA-N 0 3 302.418 2.509 20 70 DFIDHN C[C@H]1C[C@H](NC(=O)NC2CCCC2)CN1Cc1ccccc1 ZINC000161431939 426024006 /nfs/dbraw/zinc/02/40/06/426024006.db2.gz WVSGTYWPQBNKBI-YOEHRIQHSA-N 0 3 301.434 2.891 20 70 DFIDHN CCC[C@H]1CN(CC2CCN(C(=O)C(C)(C)C)CC2)CCO1 ZINC000161138146 426009706 /nfs/dbraw/zinc/00/97/06/426009706.db2.gz RFZVOGNTHNGUFC-INIZCTEOSA-N 0 3 310.482 2.772 20 70 DFIDHN CC(C)N1C[C@H](NC(=O)c2cc3c(cccc3F)[nH]2)[C@@H](C)C1 ZINC000161163575 426011725 /nfs/dbraw/zinc/01/17/25/426011725.db2.gz KLCTUQYSMODFOW-ZBEGNZNMSA-N 0 3 303.381 2.766 20 70 DFIDHN C[C@H](C(=O)NCC1CCCCC1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161184949 426012939 /nfs/dbraw/zinc/01/29/39/426012939.db2.gz FGNAJRRTQGNMNH-SZVBFZGTSA-N 0 3 322.493 2.698 20 70 DFIDHN CC1(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)CCC1 ZINC000161261612 426015806 /nfs/dbraw/zinc/01/58/06/426015806.db2.gz CHONHPMQTFPWHD-MRXNPFEDSA-N 0 3 301.434 2.893 20 70 DFIDHN CCOC[C@H](O)CN[C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000161332422 426020223 /nfs/dbraw/zinc/02/02/23/426020223.db2.gz JAEPDRJXNTZMHO-WCQYABFASA-N 0 3 321.339 2.676 20 70 DFIDHN COCCN(CCNCc1cccs1)C(=O)OC(C)(C)C ZINC000218145223 426565933 /nfs/dbraw/zinc/56/59/33/426565933.db2.gz BJPZXJLEEHSNRU-UHFFFAOYSA-N 0 3 314.451 2.721 20 70 DFIDHN CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@H]1CCCCN1 ZINC000159451544 277281868 /nfs/dbraw/zinc/28/18/68/277281868.db2.gz JBLDMXWNOOBQAF-NILFDRSVSA-N 0 3 310.825 2.674 20 70 DFIDHN COc1ccc2c(c1)[C@H](N[C@@H](CCO)CSC)CCCO2 ZINC000160174834 295275519 /nfs/dbraw/zinc/27/55/19/295275519.db2.gz FNOXJDRXVLRQJR-SWLSCSKDSA-N 0 3 311.447 2.613 20 70 DFIDHN O=C(Cc1c[nH]c2cc(F)ccc12)NC1CCN(C2CC2)CC1 ZINC000159380444 295376026 /nfs/dbraw/zinc/37/60/26/295376026.db2.gz TVQNJPYJMFLPRN-UHFFFAOYSA-N 0 3 315.392 2.593 20 70 DFIDHN CCC[C@H](C(=O)NC[C@H](Nc1ccccc1)C(C)C)N(C)C ZINC000159562390 295378203 /nfs/dbraw/zinc/37/82/03/295378203.db2.gz MKNWJVMCCYYGDI-DLBZAZTESA-N 0 3 305.466 2.970 20 70 DFIDHN CCCCN(C)CCNC(=O)N1CCc2cccc(F)c2C1 ZINC000159793166 295381669 /nfs/dbraw/zinc/38/16/69/295381669.db2.gz UELWAUZQFIFQLU-UHFFFAOYSA-N 0 3 307.413 2.625 20 70 DFIDHN CC(C)OC(=O)c1ccc(CN(C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000159801244 295381690 /nfs/dbraw/zinc/38/16/90/295381690.db2.gz WHERSCNZOACCNR-IRXDYDNUSA-N 0 3 305.418 2.845 20 70 DFIDHN CC(C)[C@@H](CNC(=O)[C@H]1CCC(=O)C[C@@H]1C)N1CCC(C)CC1 ZINC000160005753 295385162 /nfs/dbraw/zinc/38/51/62/295385162.db2.gz ORIMPQBXSWHWLD-RYQLBKOJSA-N 0 3 322.493 2.864 20 70 DFIDHN CN1CCC(Oc2ccc(NCc3cccc(O)c3)cn2)CC1 ZINC000160068335 295386253 /nfs/dbraw/zinc/38/62/53/295386253.db2.gz ARFWOEHFGWZRLK-UHFFFAOYSA-N 0 3 313.401 2.872 20 70 DFIDHN C[C@H](NCC(=O)NCC(F)(F)F)c1cc2c(s1)CCC2 ZINC000160576122 295392892 /nfs/dbraw/zinc/39/28/92/295392892.db2.gz GHWIRLZJIYXKMU-QMMMGPOBSA-N 0 3 306.353 2.566 20 70 DFIDHN CCN(CC)[C@@H](CNC(=O)c1cc(C)ncn1)c1ccccc1 ZINC000161407923 295402612 /nfs/dbraw/zinc/40/26/12/295402612.db2.gz ZTRJWMMHFPMFHE-KRWDZBQOSA-N 0 3 312.417 2.598 20 70 DFIDHN CCCN1CCCN(C(=O)[C@H](C)Cc2ccccc2F)CC1 ZINC000159929869 519850313 /nfs/dbraw/zinc/85/03/13/519850313.db2.gz PXYPHJQYIZGCAQ-OAHLLOKOSA-N 0 3 306.425 2.949 20 70 DFIDHN Cc1nc2n(n1)C[C@@H](N[C@@H]1c3cc(F)ccc3C[C@@H]1C)CC2 ZINC000160582371 282118395 /nfs/dbraw/zinc/11/83/95/282118395.db2.gz TVXVYXCTIFXLDH-NCHVAJSOSA-N 0 3 300.381 2.564 20 70 DFIDHN COCCC1(C(=O)NCCCN(C)Cc2ccccc2)CCC1 ZINC000159693103 186135799 /nfs/dbraw/zinc/13/57/99/186135799.db2.gz JSVTZYPETKSWLI-UHFFFAOYSA-N 0 3 318.461 2.832 20 70 DFIDHN CC(C)N(CCN(C)C)C(=O)NC[C@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000159752820 186139833 /nfs/dbraw/zinc/13/98/33/186139833.db2.gz BWRBTNHKRQLRKJ-BZSNNMDCSA-N 0 3 315.461 2.554 20 70 DFIDHN CCC[C@@H](C(=O)N[C@H](C)c1cc(OC)ccc1OC)N(C)C ZINC000161280880 283475789 /nfs/dbraw/zinc/47/57/89/283475789.db2.gz QUMONAUAHHBFGQ-DOMZBBRYSA-N 0 3 308.422 2.611 20 70 DFIDHN Cc1ccc([C@H](C)CNC(=O)NC[C@H]2CCCN(C)C2)cc1 ZINC000159448132 398965170 /nfs/dbraw/zinc/96/51/70/398965170.db2.gz BFSLANRIQJPRIL-HZPDHXFCSA-N 0 3 303.450 2.740 20 70 DFIDHN CSCC[C@@H](N)C(=O)N1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000161247756 197478042 /nfs/dbraw/zinc/47/80/42/197478042.db2.gz GEKRJNOPTLMHTE-OSAQELSMSA-N 0 3 310.438 2.611 20 70 DFIDHN Cc1cccc([C@H](NC(=O)CN(C)C(C)C)c2ccccn2)c1 ZINC000160075191 197383575 /nfs/dbraw/zinc/38/35/75/197383575.db2.gz YNQNAAFBZXTKKM-IBGZPJMESA-N 0 3 311.429 2.936 20 70 DFIDHN CSCC[C@@H](N)C(=O)N1CCC[C@@](C)(c2ccccc2)C1 ZINC000160105982 197385907 /nfs/dbraw/zinc/38/59/07/197385907.db2.gz TVYIGLHCPNVOFC-NVXWUHKLSA-N 0 3 306.475 2.647 20 70 DFIDHN CCN(CC)[C@@H](CNC(=O)[C@H]1CCCCO1)c1ccccc1 ZINC000159985894 197377520 /nfs/dbraw/zinc/37/75/20/197377520.db2.gz ZGXKZQSYNNGWIW-DLBZAZTESA-N 0 3 304.434 2.755 20 70 DFIDHN CC[C@@H](NC(=O)N1CCCN(CC)CC1)c1nc(C)cs1 ZINC000159826465 197367396 /nfs/dbraw/zinc/36/73/96/197367396.db2.gz TWCPCUPZFBOAGX-CYBMUJFWSA-N 0 3 310.467 2.640 20 70 DFIDHN CCOc1cccc([C@H](C)NC(=O)N2CCCN(CC)CC2)c1 ZINC000159777498 197363657 /nfs/dbraw/zinc/36/36/57/197363657.db2.gz CSSHTXKHVYAOOD-HNNXBMFYSA-N 0 3 319.449 2.884 20 70 DFIDHN COCCN(C)CCN[C@H](C)c1ccc(SC)c(OC)c1 ZINC000159397801 197350601 /nfs/dbraw/zinc/35/06/01/197350601.db2.gz LLDWZDHACAGASA-CYBMUJFWSA-N 0 3 312.479 2.646 20 70 DFIDHN OCC[C@@H]1CCCCN1Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000159729789 542719582 /nfs/dbraw/zinc/71/95/82/542719582.db2.gz KNONSJRQJXOQCY-HKUYNNGSSA-N 0 3 319.445 2.981 20 70 DFIDHN CC(C)Oc1ccc(CNC2CCN(CC(F)F)CC2)cn1 ZINC000160068985 542720774 /nfs/dbraw/zinc/72/07/74/542720774.db2.gz JJLSARHNBKXJQW-UHFFFAOYSA-N 0 3 313.392 2.688 20 70 DFIDHN Cc1cccc(NC(=O)[C@H](C)N2CCN(c3ccncc3)CC2)c1 ZINC000161324726 542728502 /nfs/dbraw/zinc/72/85/02/542728502.db2.gz XCHJFJXJZGCZSR-INIZCTEOSA-N 0 3 324.428 2.539 20 70 DFIDHN C[C@@H]1CN(C(=O)CN2CCC[C@@H](C(C)(C)C)CC2)C[C@@H](C)O1 ZINC000217223279 542876520 /nfs/dbraw/zinc/87/65/20/542876520.db2.gz DOJYRIHQHVLUSY-BZUAXINKSA-N 0 3 310.482 2.770 20 70 DFIDHN C[C@@H](N[C@@H]1CCCN(c2ccccc2C#N)C1)c1cnccn1 ZINC000159477062 145219617 /nfs/dbraw/zinc/21/96/17/145219617.db2.gz LDWOTXXSRHIUTI-GDBMZVCRSA-N 0 3 307.401 2.668 20 70 DFIDHN C[C@H](N[C@H]1CCCN(c2ccccc2C#N)C1)c1cnccn1 ZINC000159477185 145219960 /nfs/dbraw/zinc/21/99/60/145219960.db2.gz LDWOTXXSRHIUTI-HOCLYGCPSA-N 0 3 307.401 2.668 20 70 DFIDHN Cc1nc2n(n1)C[C@@H](N[C@@H]1CCCOc3ccc(C)cc31)CC2 ZINC000160446018 425983462 /nfs/dbraw/zinc/98/34/62/425983462.db2.gz XXMJMICHEXPTHT-GOEBONIOSA-N 0 3 312.417 2.713 20 70 DFIDHN CCc1nc(CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)n[nH]1 ZINC000160486511 425983817 /nfs/dbraw/zinc/98/38/17/425983817.db2.gz GJPBVNFYOPOROD-ZFWWWQNUSA-N 0 3 300.406 2.625 20 70 DFIDHN CC1CCN(CCNC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)CC1 ZINC000160551058 425986156 /nfs/dbraw/zinc/98/61/56/425986156.db2.gz YXNDRQZHAUQKBK-CABCVRRESA-N 0 3 322.399 2.916 20 70 DFIDHN CC1CCN(CCNC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)CC1 ZINC000160551724 425986255 /nfs/dbraw/zinc/98/62/55/425986255.db2.gz BONFGTCFQUTGGR-GDBMZVCRSA-N 0 3 322.399 2.916 20 70 DFIDHN COC[C@@H](NCc1ccc(N2CCCCCC2)nc1)C1CC1 ZINC000160558591 425987761 /nfs/dbraw/zinc/98/77/61/425987761.db2.gz KFUOUYJESPHPOS-QGZVFWFLSA-N 0 3 303.450 2.977 20 70 DFIDHN OCCCCCN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161028534 426005828 /nfs/dbraw/zinc/00/58/28/426005828.db2.gz VTPJSSBZRURGAQ-HUUCEWRRSA-N 0 3 317.351 2.976 20 70 DFIDHN CC(C)(CNCc1ccc(Cl)cc1F)N1CCOCC1 ZINC000160657830 425991355 /nfs/dbraw/zinc/99/13/55/425991355.db2.gz OMGGVBAFULWYJD-UHFFFAOYSA-N 0 3 300.805 2.680 20 70 DFIDHN C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160676754 425992279 /nfs/dbraw/zinc/99/22/79/425992279.db2.gz NZRHNMWTDDQOGT-FSNPWBFUSA-N 0 3 322.493 2.791 20 70 DFIDHN CC(C)N(C)C(=O)[C@@H](C)N[C@H](C)c1ccccc1-n1cccn1 ZINC000160864113 425999214 /nfs/dbraw/zinc/99/92/14/425999214.db2.gz OTJKRHLJUBHHSK-HUUCEWRRSA-N 0 3 314.433 2.778 20 70 DFIDHN CCC[C@H](N)C(=O)Nc1ccc(OC2CCOCC2)c(C)c1 ZINC000160939824 426002672 /nfs/dbraw/zinc/00/26/72/426002672.db2.gz YQGBPGSDCVFGFN-HNNXBMFYSA-N 0 3 306.406 2.619 20 70 DFIDHN C[C@@H](N[C@H]1CCN(C(=O)C2CCCCC2)C1)c1ccccn1 ZINC000159381329 425958917 /nfs/dbraw/zinc/95/89/17/425958917.db2.gz QAMKHPJSIBQMIF-ZBFHGGJFSA-N 0 3 301.434 2.913 20 70 DFIDHN CC[C@H](Cc1ccccc1)NC(=O)N1CCCN(CC)CC1 ZINC000159813855 425967561 /nfs/dbraw/zinc/96/75/61/425967561.db2.gz HFWVQRDPAMFPTE-QGZVFWFLSA-N 0 3 303.450 2.745 20 70 DFIDHN Cc1cc(C#N)ccc1C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000159934900 425970352 /nfs/dbraw/zinc/97/03/52/425970352.db2.gz AHSIMGYTTJHUJM-GOSISDBHSA-N 0 3 321.424 2.769 20 70 DFIDHN Cc1cccc([C@H]2CCCN2CCC(=O)NC2CCCC2)n1 ZINC000160184894 425976662 /nfs/dbraw/zinc/97/66/62/425976662.db2.gz OBOYGHSCYIWZBE-QGZVFWFLSA-N 0 3 301.434 2.976 20 70 DFIDHN CC[C@@H](N[C@@H](CCO)CSC)c1ccc2c(c1)OCCO2 ZINC000160226838 425977593 /nfs/dbraw/zinc/97/75/93/425977593.db2.gz AAEQLMMGGLINOC-UONOGXRCSA-N 0 3 311.447 2.613 20 70 DFIDHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@@H]1CCCCO1 ZINC000161416187 426023222 /nfs/dbraw/zinc/02/32/22/426023222.db2.gz FCCAICBOHMLVQF-IRXDYDNUSA-N 0 3 302.418 2.509 20 70 DFIDHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)[C@H]1CCCCO1 ZINC000161416411 426023411 /nfs/dbraw/zinc/02/34/11/426023411.db2.gz FCCAICBOHMLVQF-DLBZAZTESA-N 0 3 302.418 2.509 20 70 DFIDHN COc1ccc(Br)cc1CNC(C)(C)[C@@H](C)O ZINC000161132138 426009754 /nfs/dbraw/zinc/00/97/54/426009754.db2.gz HBTOAIAKTUNVCM-SECBINFHSA-N 0 3 302.212 2.707 20 70 DFIDHN CCC[C@@H](C(=O)NC[C@H](c1cccs1)N1CCCC1)N(C)C ZINC000161304085 426018806 /nfs/dbraw/zinc/01/88/06/426018806.db2.gz USSKNEKVXPADHA-LSDHHAIUSA-N 0 3 323.506 2.732 20 70 DFIDHN CCOC[C@@H](O)CN[C@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000161332728 426020231 /nfs/dbraw/zinc/02/02/31/426020231.db2.gz JAEPDRJXNTZMHO-YPMHNXCESA-N 0 3 321.339 2.676 20 70 DFIDHN CC(C)CCn1ccc(NC(=O)N(C)C[C@@H]2CCCN(C)C2)n1 ZINC000161341462 426020259 /nfs/dbraw/zinc/02/02/59/426020259.db2.gz TUQTXGSSWWWBNB-OAHLLOKOSA-N 0 3 321.469 2.735 20 70 DFIDHN CS[C@H](CO)[C@@H](C)NCc1ccc(Br)c(F)c1 ZINC000217852158 426566669 /nfs/dbraw/zinc/56/66/69/426566669.db2.gz HKNCIAVATUCYMB-PRHODGIISA-N 0 3 322.243 2.790 20 70 DFIDHN C[C@@H](NCc1c[nH]cn1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218176823 426566723 /nfs/dbraw/zinc/56/67/23/426566723.db2.gz JUVNBVUCISQGSU-CHWSQXEVSA-N 0 3 308.426 2.535 20 70 DFIDHN C[C@H](NCc1c[nH]cn1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218176884 426565056 /nfs/dbraw/zinc/56/50/56/426565056.db2.gz JUVNBVUCISQGSU-QWHCGFSZSA-N 0 3 308.426 2.535 20 70 DFIDHN CCSCCN1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000160204493 271079660 /nfs/dbraw/zinc/07/96/60/271079660.db2.gz FLQQPRMDURNCCC-UHFFFAOYSA-N 0 3 308.447 2.946 20 70 DFIDHN Cc1cccc([C@@H](NC(=O)C2CCN(C)CC2)c2ccccn2)c1 ZINC000160213291 271080107 /nfs/dbraw/zinc/08/01/07/271080107.db2.gz UZUFEOHBIZDQTA-LJQANCHMSA-N 0 3 323.440 2.937 20 70 DFIDHN CCN(C)[C@@H](C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C)c1ccccc1 ZINC000161362171 276309355 /nfs/dbraw/zinc/30/93/55/276309355.db2.gz FYUWYNRXFZFPHP-CGTJXYLNSA-N 0 3 317.477 2.524 20 70 DFIDHN CC(C)[C@@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)N(C)C ZINC000159904941 277725903 /nfs/dbraw/zinc/72/59/03/277725903.db2.gz PSBJPSODEYEIMV-ZBFHGGJFSA-N 0 3 304.434 2.991 20 70 DFIDHN CCOCCN(CC)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000160085465 295386007 /nfs/dbraw/zinc/38/60/07/295386007.db2.gz XUCKNZWBBURVPH-OAHLLOKOSA-N 0 3 319.367 2.967 20 70 DFIDHN CCCCn1ncc(NC(=O)N2CC[C@H](N3CCCC3)C2)c1C ZINC000160145813 295387379 /nfs/dbraw/zinc/38/73/79/295387379.db2.gz VYEKRUMLNVYPNU-HNNXBMFYSA-N 0 3 319.453 2.694 20 70 DFIDHN CC(C)CCn1ccc(NC(=O)N2CC[C@H](N3CCCC3)C2)n1 ZINC000161300829 295401399 /nfs/dbraw/zinc/40/13/99/295401399.db2.gz IKNQCHGEXUYDEG-HNNXBMFYSA-N 0 3 319.453 2.631 20 70 DFIDHN C[C@H](C(=O)N[C@H]1CCOC2(CCCC2)C1)N1CCCCCC1 ZINC000159889378 298191015 /nfs/dbraw/zinc/19/10/15/298191015.db2.gz ZRDFYBYHNYJTIW-CVEARBPZSA-N 0 3 308.466 2.859 20 70 DFIDHN CCN(CC)c1ccc(CN2CCC(CC(N)=O)CC2)cc1F ZINC000159762381 520892173 /nfs/dbraw/zinc/89/21/73/520892173.db2.gz SAMMUHVQCOPUJM-UHFFFAOYSA-N 0 3 321.440 2.759 20 70 DFIDHN Cc1nc2n(n1)C[C@@H](N[C@H]1CSCCc3ccccc31)CC2 ZINC000160519500 282119088 /nfs/dbraw/zinc/11/90/88/282119088.db2.gz HUIISCNEXTVNCF-HOCLYGCPSA-N 0 3 314.458 2.522 20 70 DFIDHN Fc1ccccc1-c1cnc(CN2CCN(C3CC3)CC2)o1 ZINC000159717105 186137506 /nfs/dbraw/zinc/13/75/06/186137506.db2.gz MYUHMWGSFCASAI-UHFFFAOYSA-N 0 3 301.365 2.761 20 70 DFIDHN CN(C(=O)CN1CC[C@@H]2CCCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000159593794 398964832 /nfs/dbraw/zinc/96/48/32/398964832.db2.gz QSRUGRKPAZLAMK-BBRMVZONSA-N 0 3 317.389 2.822 20 70 DFIDHN C=C[C@@H](CC(=O)NC1CCN(CCOC)CC1)c1ccccc1 ZINC000160299096 197398486 /nfs/dbraw/zinc/39/84/86/197398486.db2.gz CFZMENGIMAIDJN-INIZCTEOSA-N 0 3 316.445 2.573 20 70 DFIDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000160227600 197394159 /nfs/dbraw/zinc/39/41/59/197394159.db2.gz PIDYOVSXXRPNDB-BBRMVZONSA-N 0 3 312.373 2.922 20 70 DFIDHN CCn1cc([C@H](C)NCCN(C)Cc2ccc(F)cc2)cn1 ZINC000160128743 197388130 /nfs/dbraw/zinc/38/81/30/197388130.db2.gz JXJZIKDBXMLENZ-AWEZNQCLSA-N 0 3 304.413 2.825 20 70 DFIDHN CCN(Cc1ccc(CN(C)C)cc1)C(=O)[C@@H]1OCC[C@@H]1C ZINC000159893034 197371962 /nfs/dbraw/zinc/37/19/62/197371962.db2.gz FZMAEFZLDVEWHB-WMLDXEAASA-N 0 3 304.434 2.522 20 70 DFIDHN O=C(c1ccc(F)cc1)[C@@H]1CCCN(CCn2ccnc2)C1 ZINC000159843391 197367814 /nfs/dbraw/zinc/36/78/14/197367814.db2.gz QAEWTQVLOLAKLZ-OAHLLOKOSA-N 0 3 301.365 2.617 20 70 DFIDHN CCC[C@@H](C(=O)NCc1ccccc1OC(F)F)N(C)C ZINC000159504559 197358643 /nfs/dbraw/zinc/35/86/43/197358643.db2.gz IISQAUCFMCHFOI-LBPRGKRZSA-N 0 3 300.349 2.635 20 70 DFIDHN CC(C)[C@@H](CNC(=O)N(CCN(C)C)C(C)C)c1cccnc1 ZINC000159508503 197358383 /nfs/dbraw/zinc/35/83/83/197358383.db2.gz UQIQXNYAQSCUTG-QGZVFWFLSA-N 0 3 320.481 2.803 20 70 DFIDHN C[C@@H](NCCCN1CCCC1=O)c1ccccc1OC(F)F ZINC000159510358 197360328 /nfs/dbraw/zinc/36/03/28/197360328.db2.gz JWCLSMODKDRYRT-GFCCVEGCSA-N 0 3 312.360 2.951 20 70 DFIDHN Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)NC(=O)[C@H](C)N ZINC000159456060 197355051 /nfs/dbraw/zinc/35/50/51/197355051.db2.gz ADIWSSFZJNTTQF-QWRGUYRKSA-N 0 3 303.431 2.951 20 70 DFIDHN CN(CC(C)(C)O)C(=O)C1(C)CCN(Cc2ccccc2)CC1 ZINC000159423643 197352352 /nfs/dbraw/zinc/35/23/52/197352352.db2.gz OYSNFPHAUJXHDW-UHFFFAOYSA-N 0 3 318.461 2.518 20 70 DFIDHN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@H](N)CC(C)C ZINC000159451105 542717517 /nfs/dbraw/zinc/71/75/17/542717517.db2.gz BXSGZCQVYWNJBU-DFBGVHRSSA-N 0 3 312.841 2.906 20 70 DFIDHN Cc1nccc(NC(=O)N2CCCN(C(C)C)CC2)c1Cl ZINC000159472650 542717832 /nfs/dbraw/zinc/71/78/32/542717832.db2.gz FTQYYBSFNZYGGH-UHFFFAOYSA-N 0 3 310.829 2.991 20 70 DFIDHN CC(C)OCCNC[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000160185631 542721684 /nfs/dbraw/zinc/72/16/84/542721684.db2.gz KTPGSERPHMZFJD-LLVKDONJSA-N 0 3 322.232 2.748 20 70 DFIDHN CC(C)OCCNC[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000160202759 542722267 /nfs/dbraw/zinc/72/22/67/542722267.db2.gz BVBNAIKNXNEKLJ-GFCCVEGCSA-N 0 3 322.232 2.748 20 70 DFIDHN Cc1ccc(Br)c(C(=O)N2CCNCC2(C)C)c1 ZINC000161252958 542727942 /nfs/dbraw/zinc/72/79/42/542727942.db2.gz CYDGSDCOBWEMGM-UHFFFAOYSA-N 0 3 311.223 2.582 20 70 DFIDHN Fc1ccc(OCCCN2CCN(c3ccncc3)CC2)cc1 ZINC000161367726 542729399 /nfs/dbraw/zinc/72/93/99/542729399.db2.gz VYZRZCPVIYTRBM-UHFFFAOYSA-N 0 3 315.392 2.812 20 70 DFIDHN Cc1ccc(CCNC(=O)NC[C@H](C)N2CCC[C@@H](C)C2)cc1 ZINC000217224343 542876563 /nfs/dbraw/zinc/87/65/63/542876563.db2.gz FFINYJJECQWTQB-SJORKVTESA-N 0 3 317.477 2.957 20 70 DFIDHN Cc1cc(N(C)[C@H]2CCN(C)C[C@@H]2C)nc(-c2cccnc2)n1 ZINC000160425679 425981731 /nfs/dbraw/zinc/98/17/31/425981731.db2.gz QRIDCLJVBYUHOO-BBRMVZONSA-N 0 3 311.433 2.623 20 70 DFIDHN C[C@H](NC(=O)[C@@H](N)C(C)(C)C)c1ncc(-c2ccccc2)o1 ZINC000160477329 425984249 /nfs/dbraw/zinc/98/42/49/425984249.db2.gz FXNMVDJJUFJXKL-SMDDNHRTSA-N 0 3 301.390 2.892 20 70 DFIDHN COC(=O)c1ccc(CN2CC[C@]3(O)CCCC[C@@H]3C2)cc1F ZINC000160583760 425988785 /nfs/dbraw/zinc/98/87/85/425988785.db2.gz VBQLJNVBTYVORB-RDTXWAMCSA-N 0 3 321.392 2.739 20 70 DFIDHN CN(C)[C@H]1CCCN(C(=O)N[C@H](CCC#N)c2ccccc2)C1 ZINC000160599984 425988898 /nfs/dbraw/zinc/98/88/98/425988898.db2.gz UPZSKGDNTBPFQY-DLBZAZTESA-N 0 3 314.433 2.767 20 70 DFIDHN C[C@@H]1CCO[C@H]1C(=O)N1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000160845754 425997270 /nfs/dbraw/zinc/99/72/70/425997270.db2.gz ZLWWJGNILDTPCI-SOLBZPMBSA-N 0 3 316.445 2.534 20 70 DFIDHN CN(C(=O)c1cc[nH]c1)c1ccc(OCCN2CCCC2)cc1 ZINC000160876500 425999323 /nfs/dbraw/zinc/99/93/23/425999323.db2.gz CCTRTYQUAVBBPI-UHFFFAOYSA-N 0 3 313.401 2.766 20 70 DFIDHN O=[N+]([O-])c1cccc(CN2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000160903536 426000478 /nfs/dbraw/zinc/00/04/78/426000478.db2.gz NRDMSMLHTADGJF-HNNXBMFYSA-N 0 3 312.373 2.924 20 70 DFIDHN O=C(CN1CC[C@]2(O)CCCC[C@@H]2C1)N(C1CC1)C1CCCC1 ZINC000160916073 426001657 /nfs/dbraw/zinc/00/16/57/426001657.db2.gz VBBUTDRVWSXBKD-DNVCBOLYSA-N 0 3 320.477 2.547 20 70 DFIDHN COCCN(C)CCN[C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000159371123 425959000 /nfs/dbraw/zinc/95/90/00/425959000.db2.gz DWJOKHDAZXAGNF-QGZVFWFLSA-N 0 3 306.450 2.685 20 70 DFIDHN CCOc1cc(C)ccc1CNC(=O)N(CCN(C)C)C(C)C ZINC000159591150 425962857 /nfs/dbraw/zinc/96/28/57/425962857.db2.gz CRPWKLPGQJSYDC-UHFFFAOYSA-N 0 3 321.465 2.875 20 70 DFIDHN CCN1CCCN(C(=O)NC[C@H]2CCCc3ccccc32)CC1 ZINC000159661026 425965545 /nfs/dbraw/zinc/96/55/45/425965545.db2.gz FBVVAVMOMKQFLI-QGZVFWFLSA-N 0 3 315.461 2.844 20 70 DFIDHN Cc1cccc(C)c1CCNC(=O)N(CCN(C)C)C(C)C ZINC000159745272 425966367 /nfs/dbraw/zinc/96/63/67/425966367.db2.gz LDSZWSGMTUVPFH-UHFFFAOYSA-N 0 3 305.466 2.828 20 70 DFIDHN C[C@@H](C(=O)N[C@@H]1CCOC2(CCCC2)C1)N1CCCCCC1 ZINC000159889014 425970961 /nfs/dbraw/zinc/97/09/61/425970961.db2.gz ZRDFYBYHNYJTIW-JKSUJKDBSA-N 0 3 308.466 2.859 20 70 DFIDHN Cc1ccc(C(=O)CCN2CC[C@@H](Cc3cnn(C)c3)C2)cc1 ZINC000159959161 425972014 /nfs/dbraw/zinc/97/20/14/425972014.db2.gz SSVLEFHBIQMROF-INIZCTEOSA-N 0 3 311.429 2.866 20 70 DFIDHN COc1cccc(CCCN2CCC[C@H](NC(=O)C(C)C)C2)c1 ZINC000160125742 425975182 /nfs/dbraw/zinc/97/51/82/425975182.db2.gz NDJJWSMQJCLOHD-KRWDZBQOSA-N 0 3 318.461 2.864 20 70 DFIDHN CCCOc1cccc(CCNC(=O)[C@@H](CCC)N(C)C)c1 ZINC000161449212 426024782 /nfs/dbraw/zinc/02/47/82/426024782.db2.gz VZLXRDJJIQCBSC-QGZVFWFLSA-N 0 3 306.450 2.864 20 70 DFIDHN CC(C)N(C(=O)CN1CC[C@@]2(O)CCCC[C@@H]2C1)C1CCCC1 ZINC000161139900 426009776 /nfs/dbraw/zinc/00/97/76/426009776.db2.gz PGPLFMBGMULYLW-APWZRJJASA-N 0 3 322.493 2.793 20 70 DFIDHN CCCCN(C)CCNC(=O)Nc1ccn(CCC(C)C)n1 ZINC000161163914 426011431 /nfs/dbraw/zinc/01/14/31/426011431.db2.gz FPUBPYQUMWSRPM-UHFFFAOYSA-N 0 3 309.458 2.783 20 70 DFIDHN CC[C@@](C)(O)CN(C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000161230334 426013458 /nfs/dbraw/zinc/01/34/58/426013458.db2.gz GWDMQAWKCAIDIE-OAHLLOKOSA-N 0 3 317.332 2.610 20 70 DFIDHN CCC[C@H](C(=O)N[C@@H](C)c1cc(OC)ccc1OC)N(C)C ZINC000161280767 426017423 /nfs/dbraw/zinc/01/74/23/426017423.db2.gz QUMONAUAHHBFGQ-SWLSCSKDSA-N 0 3 308.422 2.611 20 70 DFIDHN CCO[C@@H]1C[C@H](N[C@@H]2CCN(c3ccccc3)C2=O)C1(C)C ZINC000161289226 426017610 /nfs/dbraw/zinc/01/76/10/426017610.db2.gz YWOOSMXCCAFAJP-OWCLPIDISA-N 0 3 302.418 2.585 20 70 DFIDHN COc1ccc(CN2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000161402438 426022169 /nfs/dbraw/zinc/02/21/69/426022169.db2.gz CEFHMICLWNSRTM-HNNXBMFYSA-N 0 3 312.417 2.613 20 70 DFIDHN CCC[C@H](O)CNCc1ccc(I)cc1 ZINC000217913320 426565875 /nfs/dbraw/zinc/56/58/75/426565875.db2.gz NZTHZLZFZROTQS-LBPRGKRZSA-N 0 3 319.186 2.542 20 70 DFIDHN CC(C)(C)OC(=O)NCCNCc1cccc2cccnc21 ZINC000218163279 426566311 /nfs/dbraw/zinc/56/63/11/426566311.db2.gz BCFRMSUJOQAOFH-UHFFFAOYSA-N 0 3 301.390 2.849 20 70 DFIDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)Nc1ccccc1Cl ZINC000160019735 278435542 /nfs/dbraw/zinc/43/55/42/278435542.db2.gz OQTHXNFLHSFIBC-WNMQOVRZSA-N 0 3 308.809 2.811 20 70 DFIDHN COc1ccc2c(c1)[C@H](NCCCN1CCCC1=O)CCCO2 ZINC000159476322 295274325 /nfs/dbraw/zinc/27/43/25/295274325.db2.gz HSHUKRHSBXRUIZ-MRXNPFEDSA-N 0 3 318.417 2.511 20 70 DFIDHN CN(C)CCN(C(=O)NCCc1cccc(F)c1)C1CCCC1 ZINC000159386857 295376090 /nfs/dbraw/zinc/37/60/90/295376090.db2.gz CVEHYFZDDTYOGV-UHFFFAOYSA-N 0 3 321.440 2.884 20 70 DFIDHN Cc1ccc(CN2CCCC[C@@H]2CCNS(C)(=O)=O)c(C)c1 ZINC000159422077 295376429 /nfs/dbraw/zinc/37/64/29/295376429.db2.gz CSSHEQJJWURFTF-QGZVFWFLSA-N 0 3 324.490 2.597 20 70 DFIDHN CN(Cc1ccc(OCC(F)(F)F)nc1)C[C@@H]1CCC[C@@H]1O ZINC000159542492 295378183 /nfs/dbraw/zinc/37/81/83/295378183.db2.gz NPIALTJQIVLSHG-STQMWFEESA-N 0 3 318.339 2.616 20 70 DFIDHN CCC[C@H](C(=O)NC[C@@H](Nc1ccccc1)C(C)C)N(C)C ZINC000159562642 295378494 /nfs/dbraw/zinc/37/84/94/295378494.db2.gz MKNWJVMCCYYGDI-IAGOWNOFSA-N 0 3 305.466 2.970 20 70 DFIDHN COc1cc(C)cc(CNC(=O)N[C@@H](CC(C)C)CN(C)C)c1 ZINC000159639379 295379467 /nfs/dbraw/zinc/37/94/67/295379467.db2.gz IACQFQGMMFJSPI-INIZCTEOSA-N 0 3 321.465 2.779 20 70 DFIDHN Cc1cccc([C@H]2CCCN2CCC(=O)N2CCCCC2)n1 ZINC000159853397 295382607 /nfs/dbraw/zinc/38/26/07/295382607.db2.gz DURHSCRHJVHZIH-QGZVFWFLSA-N 0 3 301.434 2.930 20 70 DFIDHN O=C(NCCN1CCCCCC1)c1cc(F)cc2cccnc21 ZINC000160001737 295385077 /nfs/dbraw/zinc/38/50/77/295385077.db2.gz GEMKAOMGOUFEDM-UHFFFAOYSA-N 0 3 315.392 2.980 20 70 DFIDHN C[C@@H](C(=O)N(C)c1ccc2c(c1)OCO2)N1CCCCCC1 ZINC000160350675 295390479 /nfs/dbraw/zinc/39/04/79/295390479.db2.gz SICQNYJURQAKLH-ZDUSSCGKSA-N 0 3 304.390 2.643 20 70 DFIDHN O=C(CN1CCN(CCC2CCCC2)CC1)NC1CCCCC1 ZINC000160506646 295392211 /nfs/dbraw/zinc/39/22/11/295392211.db2.gz KCBWVZOHJPQLIL-UHFFFAOYSA-N 0 3 321.509 2.633 20 70 DFIDHN N#CCC[C@H](NC(=O)N1CC[C@H](N2CC=CC2)C1)c1ccccc1 ZINC000160719274 332888905 /nfs/dbraw/zinc/88/89/05/332888905.db2.gz MAQVBIWHLOEBSW-ROUUACIJSA-N 0 3 324.428 2.687 20 70 DFIDHN C=C(Cl)CN[C@H](C)C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000161002337 332179676 /nfs/dbraw/zinc/17/96/76/332179676.db2.gz XGWNMFJQIUVEJB-OLZOCXBDSA-N 0 3 318.845 2.743 20 70 DFIDHN CCCN1CCCN(C(=O)CCCc2ccc(OC)cc2)CC1 ZINC000160376373 519848726 /nfs/dbraw/zinc/84/87/26/519848726.db2.gz WYDNPVLYGFYHBE-UHFFFAOYSA-N 0 3 318.461 2.962 20 70 DFIDHN CCSCCN1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000160384532 521706396 /nfs/dbraw/zinc/70/63/96/521706396.db2.gz AFUWCXOYLMYYGE-UHFFFAOYSA-N 0 3 310.463 2.844 20 70 DFIDHN COC(=O)c1ccc(CN2CCC(c3ccnn3C)CC2)cc1 ZINC000160516612 522005916 /nfs/dbraw/zinc/00/59/16/522005916.db2.gz DGSYXVMOLLMCSP-UHFFFAOYSA-N 0 3 313.401 2.586 20 70 DFIDHN COc1cc(O)c(CN2CC[C@H](OCC(C)C)C2)cc1OC ZINC000160403707 522779663 /nfs/dbraw/zinc/77/96/63/522779663.db2.gz YBPXVJRJNRRVFQ-AWEZNQCLSA-N 0 3 309.406 2.656 20 70 DFIDHN CN(CCN1CC[C@H]2OCCC[C@@H]2C1)Cc1ccc(F)cc1 ZINC000160322292 522837369 /nfs/dbraw/zinc/83/73/69/522837369.db2.gz AVMMHJDNWCHMCT-SJLPKXTDSA-N 0 3 306.425 2.758 20 70 DFIDHN CC1(C)Cc2cccc(CNCCN3CCSCC3)c2O1 ZINC000217805082 534955298 /nfs/dbraw/zinc/95/52/98/534955298.db2.gz RZRJUYSUWWXNBU-UHFFFAOYSA-N 0 3 306.475 2.539 20 70 DFIDHN Cc1nc2n(n1)C[C@H](N[C@H]1CC(C)(C)Cc3occc31)CC2 ZINC000160400421 282127664 /nfs/dbraw/zinc/12/76/64/282127664.db2.gz AIBSNICTRPFWGE-OCCSQVGLSA-N 0 3 300.406 2.798 20 70 DFIDHN CC[C@H]1CCCCN1CCNC(=O)c1cccc2[nH]cnc21 ZINC000159531464 186125463 /nfs/dbraw/zinc/12/54/63/186125463.db2.gz DJQAFDHGCKYWHU-ZDUSSCGKSA-N 0 3 300.406 2.557 20 70 DFIDHN CC[C@H](NC(=O)N1CCCN(CC)CC1)c1ccc(OC)cc1 ZINC000159544956 186126300 /nfs/dbraw/zinc/12/63/00/186126300.db2.gz PFGDSRRTRNYVPZ-KRWDZBQOSA-N 0 3 319.449 2.884 20 70 DFIDHN COC[C@H](C)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000159592325 186129553 /nfs/dbraw/zinc/12/95/53/186129553.db2.gz PEIHEIGOPYKJGT-MAUKXSAKSA-N 0 3 312.413 2.861 20 70 DFIDHN Cc1ccc([C@@H](C)N(C)CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000159750159 186139092 /nfs/dbraw/zinc/13/90/92/186139092.db2.gz UOEVXRUXWXPDBH-CQSZACIVSA-N 0 3 315.373 2.758 20 70 DFIDHN COCc1cccc(CNC(=O)CN2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000159723224 398965988 /nfs/dbraw/zinc/96/59/88/398965988.db2.gz LAXYLYZXNLOPQE-ROUUACIJSA-N 0 3 316.445 2.714 20 70 DFIDHN O=C(N[C@H]1CCN(CC2CC2)C1)N(Cc1ccccc1)C1CC1 ZINC000160718458 398971618 /nfs/dbraw/zinc/97/16/18/398971618.db2.gz RNZZRLKSXDIOJF-KRWDZBQOSA-N 0 3 313.445 2.845 20 70 DFIDHN CC(C)(C)c1ccc(C(=O)NC[C@@H](O)CN2CCCCC2)s1 ZINC000160632422 197427397 /nfs/dbraw/zinc/42/73/97/197427397.db2.gz WDFYSPHJXJBCAL-CYBMUJFWSA-N 0 3 324.490 2.622 20 70 DFIDHN Cc1nc2n(n1)C[C@@H](N[C@@H]1CCSc3ccc(F)cc31)CC2 ZINC000160301506 197399136 /nfs/dbraw/zinc/39/91/36/197399136.db2.gz UARLLJPOBKSWQP-GXTWGEPZSA-N 0 3 318.421 2.867 20 70 DFIDHN CN(CCN[C@H]1CCCc2c1cnn2C)Cc1ccc(F)cc1 ZINC000160146253 197389255 /nfs/dbraw/zinc/38/92/55/197389255.db2.gz NDQJPCITQPCQOB-KRWDZBQOSA-N 0 3 316.424 2.658 20 70 DFIDHN C[C@@H](CC(=O)N1CCCCCC1)NC[C@@](C)(O)c1ccsc1 ZINC000160055201 197382920 /nfs/dbraw/zinc/38/29/20/197382920.db2.gz FYAVAMBAUDOEHV-WMLDXEAASA-N 0 3 324.490 2.726 20 70 DFIDHN C[C@H](CC(=O)N1CCCCCC1)NC[C@](C)(O)c1ccsc1 ZINC000160055063 197382764 /nfs/dbraw/zinc/38/27/64/197382764.db2.gz FYAVAMBAUDOEHV-PBHICJAKSA-N 0 3 324.490 2.726 20 70 DFIDHN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@@H](C)N)s2)cc1 ZINC000160129474 197388322 /nfs/dbraw/zinc/38/83/22/197388322.db2.gz ZRHCVRUKVQQJOI-ZJUUUORDSA-N 0 3 319.430 2.652 20 70 DFIDHN CC[C@H](NCCN(C)Cc1ccc(F)cc1)c1cnn(C)c1 ZINC000160109988 197386475 /nfs/dbraw/zinc/38/64/75/197386475.db2.gz CZQVBSQDWATATK-KRWDZBQOSA-N 0 3 304.413 2.732 20 70 DFIDHN CCCN(CCc1cccc(F)c1)C(=O)[C@@H](N)CCSC ZINC000160097393 197385682 /nfs/dbraw/zinc/38/56/82/197385682.db2.gz VDHQIGQDISBUDV-HNNXBMFYSA-N 0 3 312.454 2.687 20 70 DFIDHN CSCC[C@H](N)C(=O)Nc1ccc(C)c(OC(F)F)c1 ZINC000160092603 197385353 /nfs/dbraw/zinc/38/53/53/197385353.db2.gz QSMINAPFZSPBKP-JTQLQIEISA-N 0 3 304.362 2.615 20 70 DFIDHN CCCN(CCc1cccc(F)c1)C(=O)[C@H](N)CCSC ZINC000160097246 197385404 /nfs/dbraw/zinc/38/54/04/197385404.db2.gz VDHQIGQDISBUDV-OAHLLOKOSA-N 0 3 312.454 2.687 20 70 DFIDHN CC[C@H](NC(=O)N1CCCN(CC)CC1)c1nc(C)cs1 ZINC000159826397 197367038 /nfs/dbraw/zinc/36/70/38/197367038.db2.gz TWCPCUPZFBOAGX-ZDUSSCGKSA-N 0 3 310.467 2.640 20 70 DFIDHN CC[C@@H](NC[C@H](C)N1CCc2ccccc2C1)c1cnn(C)c1 ZINC000159789026 197364130 /nfs/dbraw/zinc/36/41/30/197364130.db2.gz UCXCVOQJXVSMPN-HNAYVOBHSA-N 0 3 312.461 2.908 20 70 DFIDHN CCN1CCCN(C(=O)N[C@H](C)c2ccc(F)cc2F)CC1 ZINC000159505325 197358454 /nfs/dbraw/zinc/35/84/54/197358454.db2.gz LUNILUTVOUKUJM-GFCCVEGCSA-N 0 3 311.376 2.763 20 70 DFIDHN COCCN(C)CCN[C@H](C)c1cc(Cl)ccc1OC ZINC000159406140 197351555 /nfs/dbraw/zinc/35/15/55/197351555.db2.gz ODAODGTWASPTJD-GFCCVEGCSA-N 0 3 300.830 2.577 20 70 DFIDHN CCC(C)(CC)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000159464593 542717861 /nfs/dbraw/zinc/71/78/61/542717861.db2.gz UXFYNIVBPYKFKO-QGZVFWFLSA-N 0 3 318.461 2.696 20 70 DFIDHN CCN1CCCN(C(=O)NC[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000159848524 542719601 /nfs/dbraw/zinc/71/96/01/542719601.db2.gz PQZKZEFRSRHTLB-IAGOWNOFSA-N 0 3 301.434 2.527 20 70 DFIDHN CC[C@@H](C(=O)NCCc1c(Cl)cccc1Cl)N(C)C ZINC000161192650 542727860 /nfs/dbraw/zinc/72/78/60/542727860.db2.gz CRUPFLISGGKOTP-ZDUSSCGKSA-N 0 3 303.233 2.992 20 70 DFIDHN CCC(CC)(CNCc1c[nH]nc1C)NC(=O)OC(C)(C)C ZINC000217697850 268138787 /nfs/dbraw/zinc/13/87/87/268138787.db2.gz WBYMUOCUIMRHBW-UHFFFAOYSA-N 0 3 310.442 2.891 20 70 DFIDHN C[C@H](C(=O)N(C)CCC1CCOCC1)[C@H](N)c1ccccc1 ZINC000160352984 425980481 /nfs/dbraw/zinc/98/04/81/425980481.db2.gz CUDDDGSZUXFKRY-YOEHRIQHSA-N 0 3 304.434 2.598 20 70 DFIDHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)[C@@H]1CCCCO1 ZINC000160448387 425983034 /nfs/dbraw/zinc/98/30/34/425983034.db2.gz UOGONFMXCYLKJK-SZMVWBNQSA-N 0 3 314.429 2.698 20 70 DFIDHN COc1ccc(CN[C@H]2CCOC(C)(C)C2)c(OC)c1OC ZINC000160462230 425983192 /nfs/dbraw/zinc/98/31/92/425983192.db2.gz FLBPWMPUHPECBK-ZDUSSCGKSA-N 0 3 309.406 2.760 20 70 DFIDHN CC(=O)Nc1ccccc1CNC[C@](C)(O)c1ccsc1 ZINC000160477997 425984226 /nfs/dbraw/zinc/98/42/26/425984226.db2.gz SQLFUBCRHCRVTI-INIZCTEOSA-N 0 3 304.415 2.704 20 70 DFIDHN CC(=O)Nc1ccccc1CNC[C@@](C)(O)c1ccsc1 ZINC000160478082 425984437 /nfs/dbraw/zinc/98/44/37/425984437.db2.gz SQLFUBCRHCRVTI-MRXNPFEDSA-N 0 3 304.415 2.704 20 70 DFIDHN C[C@@H](CC(=O)NCCN(C)C)c1ccc(Br)cc1 ZINC000160559021 425987802 /nfs/dbraw/zinc/98/78/02/425987802.db2.gz MSGBTVUNWCYQID-NSHDSACASA-N 0 3 313.239 2.621 20 70 DFIDHN CN(C)[C@H]1CCCN(C(=O)N[C@@H](CCC#N)c2ccccc2)C1 ZINC000160599722 425988531 /nfs/dbraw/zinc/98/85/31/425988531.db2.gz UPZSKGDNTBPFQY-IRXDYDNUSA-N 0 3 314.433 2.767 20 70 DFIDHN Cc1ncc([C@H](C)NC[C@@H]2CC(=O)Nc3ccccc32)c(C)n1 ZINC000160593224 425988756 /nfs/dbraw/zinc/98/87/56/425988756.db2.gz WYCYNYCOMOPJOB-FZMZJTMJSA-N 0 3 310.401 2.870 20 70 DFIDHN C[C@@H](N)C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1 ZINC000160854554 425998887 /nfs/dbraw/zinc/99/88/87/425998887.db2.gz TXDKWAJVBBIBIN-XUSGNXJCSA-N 0 3 308.447 2.554 20 70 DFIDHN COc1ccc(CNC(=O)CN[C@H]2c3ccccc3C[C@H]2C)cc1 ZINC000160974943 426003570 /nfs/dbraw/zinc/00/35/70/426003570.db2.gz FIWMCZKHLNCFAZ-JLTOFOAXSA-N 0 3 324.424 2.835 20 70 DFIDHN CCN(CCOc1cccc([N+](=O)[O-])c1)CCc1nccs1 ZINC000159388901 425959174 /nfs/dbraw/zinc/95/91/74/425959174.db2.gz XGFFAYSEKIOANW-UHFFFAOYSA-N 0 3 321.402 2.995 20 70 DFIDHN COCCN(C)CCN[C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000159388783 425959395 /nfs/dbraw/zinc/95/93/95/425959395.db2.gz GQULCECHULEHIU-MRXNPFEDSA-N 0 3 304.434 2.601 20 70 DFIDHN CCN1CCCN(C(=O)NCC2(c3ccccc3)CCC2)CC1 ZINC000159571737 425963047 /nfs/dbraw/zinc/96/30/47/425963047.db2.gz ZIMZPOQTEDAXLI-UHFFFAOYSA-N 0 3 315.461 2.846 20 70 DFIDHN c1cc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c2c(c1)OCCCO2 ZINC000159586418 425963122 /nfs/dbraw/zinc/96/31/22/425963122.db2.gz HMNOHFVWYSRRKZ-QGTPRVQTSA-N 0 3 315.413 2.895 20 70 DFIDHN CC(C)(C)c1nsc(NC2CCN(C[C@H]3CCOC3)CC2)n1 ZINC000159554474 425963310 /nfs/dbraw/zinc/96/33/10/425963310.db2.gz HAUGDBWQSWNMPU-GFCCVEGCSA-N 0 3 324.494 2.748 20 70 DFIDHN Cc1cncc(/C=C/C(=O)NC[C@@H](c2ccccc2)N(C)C)c1 ZINC000159703756 425965769 /nfs/dbraw/zinc/96/57/69/425965769.db2.gz WPONYATYMRRRKF-BBVFFXRHSA-N 0 3 309.413 2.822 20 70 DFIDHN CCN1CCCN(C(=O)N[C@H](C)Cc2ccc(C)cc2C)CC1 ZINC000159837738 425969084 /nfs/dbraw/zinc/96/90/84/425969084.db2.gz HRTZZGGHDMMWKC-QGZVFWFLSA-N 0 3 317.477 2.972 20 70 DFIDHN CCN1CCCN(C(=O)N[C@@H]2c3ccccc3C[C@@H]2C)CC1 ZINC000159851304 425969262 /nfs/dbraw/zinc/96/92/62/425969262.db2.gz GIWFZKJRSMVHDX-YOEHRIQHSA-N 0 3 301.434 2.657 20 70 DFIDHN CC[C@H](C)N(C)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000159954583 425971360 /nfs/dbraw/zinc/97/13/60/425971360.db2.gz VBKDSDCRIPMLSI-YQQAZPJKSA-N 0 3 303.450 2.947 20 70 DFIDHN C[C@H](N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1)c1cccnc1 ZINC000159965725 425971845 /nfs/dbraw/zinc/97/18/45/425971845.db2.gz XEMMBVGLRNKHJF-BJOOFOGMSA-N 0 3 313.376 2.843 20 70 DFIDHN CN1CCC(Oc2ccc(NCc3ccc(C#N)o3)cn2)CC1 ZINC000160133938 425975545 /nfs/dbraw/zinc/97/55/45/425975545.db2.gz XWLICZQVSAHZEL-UHFFFAOYSA-N 0 3 312.373 2.631 20 70 DFIDHN COc1cc(C)c([C@@H](C)N[C@@H](CCO)CSC)cc1OC ZINC000160187478 425976201 /nfs/dbraw/zinc/97/62/01/425976201.db2.gz SFXUMBVWYUKSMZ-OLZOCXBDSA-N 0 3 313.463 2.777 20 70 DFIDHN Cc1nc(-c2ccc(CNC(=O)[C@@H](C(C)C)N(C)C)o2)cs1 ZINC000160187796 425976542 /nfs/dbraw/zinc/97/65/42/425976542.db2.gz YTGSTORPZAOTOT-OAHLLOKOSA-N 0 3 321.446 2.914 20 70 DFIDHN Cc1nc(CN(C)C(=O)c2ccc(CN(C)C)cc2)cs1 ZINC000161434172 426023901 /nfs/dbraw/zinc/02/39/01/426023901.db2.gz JAEIHRZEXLAJEU-UHFFFAOYSA-N 0 3 303.431 2.785 20 70 DFIDHN COC(=O)c1cc(CN2CC[C@]3(O)CCCC[C@@H]3C2)c(C)s1 ZINC000161136163 426010081 /nfs/dbraw/zinc/01/00/81/426010081.db2.gz ACFQAIPHRNEBBM-RHSMWYFYSA-N 0 3 323.458 2.970 20 70 DFIDHN CC(C)C[C@H](CN(C)C)NC(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000161230332 426013530 /nfs/dbraw/zinc/01/35/30/426013530.db2.gz QXKYNDLDWOXVEP-OAHLLOKOSA-N 0 3 319.424 2.942 20 70 DFIDHN CC[C@@H](C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C)c1c(C)noc1C ZINC000161274773 426016116 /nfs/dbraw/zinc/01/61/16/426016116.db2.gz BDBKJVDUEPPZRE-GLQYFDAESA-N 0 3 307.438 2.630 20 70 DFIDHN CCC[C@@H](N)C(=O)Nc1ccc(C)c(OCC2CCOCC2)c1 ZINC000161375683 426021625 /nfs/dbraw/zinc/02/16/25/426021625.db2.gz DLJCNSWTSPDOJG-MRXNPFEDSA-N 0 3 320.433 2.866 20 70 DFIDHN CSC[C@](C)(O)CNCc1ccc(Br)c(F)c1 ZINC000217851965 426566277 /nfs/dbraw/zinc/56/62/77/426566277.db2.gz PSNKGDGNYVLSNC-GFCCVEGCSA-N 0 3 322.243 2.792 20 70 DFIDHN C[C@@H](Cc1ccc(Br)cc1)NCc1ccn(C)n1 ZINC000218152573 426566591 /nfs/dbraw/zinc/56/65/91/426566591.db2.gz IUQKRZKWGXCOHV-NSHDSACASA-N 0 3 308.223 2.903 20 70 DFIDHN CCc1nc2c(s1)[C@@H](N[C@@H]1CCc3nc(C)nn3C1)CCC2 ZINC000160443842 276691635 /nfs/dbraw/zinc/69/16/35/276691635.db2.gz BOOFKMIJHYGRFX-NEPJUHHUSA-N 0 3 317.462 2.587 20 70 DFIDHN CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)[C@@H](N)CC(C)C ZINC000159450701 277732230 /nfs/dbraw/zinc/73/22/30/277732230.db2.gz BXSGZCQVYWNJBU-CQDKDKBSSA-N 0 3 312.841 2.906 20 70 DFIDHN CCN(CCN[C@H]1CCCc2c1cnn2C)C(=O)OC(C)(C)C ZINC000159504684 295377772 /nfs/dbraw/zinc/37/77/72/295377772.db2.gz AFCASIGPJOCKMP-AWEZNQCLSA-N 0 3 322.453 2.644 20 70 DFIDHN CC(C)N(CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000159738146 295381111 /nfs/dbraw/zinc/38/11/11/295381111.db2.gz XTBFBAYXVVHIRN-UHFFFAOYSA-N 0 3 315.373 2.667 20 70 DFIDHN CC(C)N(CCc1nccs1)C[C@@H](O)COC(C)(C)C ZINC000159865420 295383051 /nfs/dbraw/zinc/38/30/51/295383051.db2.gz CRXUNYRLWQVAPH-CYBMUJFWSA-N 0 3 300.468 2.572 20 70 DFIDHN CCCN1CCC[C@H]1C(=O)N[C@@H]1CCc2c1cccc2OC ZINC000160032326 295385500 /nfs/dbraw/zinc/38/55/00/295385500.db2.gz ACDUSWDEKGUPCZ-CVEARBPZSA-N 0 3 302.418 2.673 20 70 DFIDHN CCN(CC)C(=O)C[C@@H](C)NCCOc1ccc(F)cc1F ZINC000160090569 295386344 /nfs/dbraw/zinc/38/63/44/295386344.db2.gz LOZCSNOJTZATEC-GFCCVEGCSA-N 0 3 314.376 2.580 20 70 DFIDHN CCc1cc(C)c(C(=O)N(CCN(C)C)Cc2ccccn2)o1 ZINC000160113088 295386381 /nfs/dbraw/zinc/38/63/81/295386381.db2.gz KDLKMTOIZBJBDG-UHFFFAOYSA-N 0 3 315.417 2.749 20 70 DFIDHN CSc1cc(C(=O)Nc2ccn(CCN(C)C)n2)ccc1F ZINC000160107958 295386651 /nfs/dbraw/zinc/38/66/51/295386651.db2.gz MQLGMFGNJWEZED-UHFFFAOYSA-N 0 3 322.409 2.558 20 70 DFIDHN CCCCn1ncc(NC(=O)NCCN2CCCCC2)c1C ZINC000160129640 295386959 /nfs/dbraw/zinc/38/69/59/295386959.db2.gz DLSNNSIGYHNSID-UHFFFAOYSA-N 0 3 307.442 2.599 20 70 DFIDHN CCCCn1ncc(NC(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)c1C ZINC000160188405 295387748 /nfs/dbraw/zinc/38/77/48/295387748.db2.gz XEAKJBSJAREBCC-BBRMVZONSA-N 0 3 321.469 2.842 20 70 DFIDHN C[C@H]1CCc2c(F)cccc2[C@H]1NCC(=O)NCC(F)(F)F ZINC000160528063 295392555 /nfs/dbraw/zinc/39/25/55/295392555.db2.gz CQJHACJNMUDTCN-XPTSAGLGSA-N 0 3 318.314 2.717 20 70 DFIDHN Cn1nccc1C1CCN(Cc2ccc(-n3cccn3)cc2)CC1 ZINC000160648922 295394161 /nfs/dbraw/zinc/39/41/61/295394161.db2.gz PTEBGCLILTZRKR-UHFFFAOYSA-N 0 3 321.428 2.985 20 70 DFIDHN CN(CCN1CCCC1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000160693239 338562362 /nfs/dbraw/zinc/56/23/62/338562362.db2.gz FJAVUYWLFOYLLG-KRWDZBQOSA-N 0 3 314.433 2.769 20 70 DFIDHN CCN1CCC[C@@H]1CN(C)C(=O)Cc1c(Cl)cccc1OC ZINC000160484004 521628222 /nfs/dbraw/zinc/62/82/22/521628222.db2.gz BDVXOMDCCCJSOL-CYBMUJFWSA-N 0 3 324.852 2.834 20 70 DFIDHN Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1cc(F)c(F)c(F)c1)CC2 ZINC000160425911 282117566 /nfs/dbraw/zinc/11/75/66/282117566.db2.gz LQVIUMHLGLIBPK-KWQFWETISA-N 0 3 310.323 2.669 20 70 DFIDHN C[C@H](N[C@@H]1CCCSC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000159582206 186129100 /nfs/dbraw/zinc/12/91/00/186129100.db2.gz WIGNMNOXPWUEAV-CMPLNLGQSA-N 0 3 317.451 2.775 20 70 DFIDHN COc1ccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c(OC)c1 ZINC000159655959 186133312 /nfs/dbraw/zinc/13/33/12/186133312.db2.gz IQTXQCLJOSGGPD-UAGQMJEPSA-N 0 3 303.402 2.751 20 70 DFIDHN CCN1CCCN(C(=O)N[C@H](C)c2cc(F)ccc2OC)CC1 ZINC000159670634 186134142 /nfs/dbraw/zinc/13/41/42/186134142.db2.gz QJVQPVKLISNNBR-CYBMUJFWSA-N 0 3 323.412 2.633 20 70 DFIDHN CSCC[C@H](N)C(=O)NCC1(Sc2ccccc2)CC1 ZINC000159705058 186136623 /nfs/dbraw/zinc/13/66/23/186136623.db2.gz PDXQXFGREGYGTE-ZDUSSCGKSA-N 0 3 310.488 2.508 20 70 DFIDHN CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000159731741 186137948 /nfs/dbraw/zinc/13/79/48/186137948.db2.gz LRHBHTHNFMVUIL-QGZVFWFLSA-N 0 3 322.412 2.623 20 70 DFIDHN O=C(N[C@H](CN1CCCC1)c1ccccc1)[C@@H]1CCCCO1 ZINC000160875446 295834949 /nfs/dbraw/zinc/83/49/49/295834949.db2.gz FXWWRWVNAQNGRP-SJORKVTESA-N 0 3 302.418 2.509 20 70 DFIDHN O=C(N[C@@H]1CCN(CC2CC2)C1)c1coc(-c2ccccc2)n1 ZINC000159496008 398964968 /nfs/dbraw/zinc/96/49/68/398964968.db2.gz IOQJJDOXDNREDF-OAHLLOKOSA-N 0 3 311.385 2.556 20 70 DFIDHN COc1ccc(CNC(=O)CN2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000159666400 398966603 /nfs/dbraw/zinc/96/66/03/398966603.db2.gz KGPFEPAYOOAFLC-RDJZCZTQSA-N 0 3 302.418 2.576 20 70 DFIDHN CCCN(CCCCS(C)(=O)=O)Cc1ccc(C#N)cc1 ZINC000161458585 398976922 /nfs/dbraw/zinc/97/69/22/398976922.db2.gz APARDPZTEPERAQ-UHFFFAOYSA-N 0 3 308.447 2.595 20 70 DFIDHN C[C@@H](N[C@H]1CC(C)(C)OC1(C)C)C(=O)NCc1ccccc1 ZINC000161210953 197475217 /nfs/dbraw/zinc/47/52/17/197475217.db2.gz BMFPLUPDQIXJNP-HIFRSBDPSA-N 0 3 304.434 2.627 20 70 DFIDHN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NC1CCN(C2CC2)CC1 ZINC000160242436 197395191 /nfs/dbraw/zinc/39/51/91/197395191.db2.gz GHZFQGIJLIWZBO-CABCVRRESA-N 0 3 304.459 2.903 20 70 DFIDHN CCn1cc([C@@H](C)NCCN(C)Cc2ccc(F)cc2)cn1 ZINC000160128633 197387867 /nfs/dbraw/zinc/38/78/67/197387867.db2.gz JXJZIKDBXMLENZ-CQSZACIVSA-N 0 3 304.413 2.825 20 70 DFIDHN CCN(CC)[C@H](CNC(=O)[C@H]1CCCCO1)c1ccccc1 ZINC000159986017 197378089 /nfs/dbraw/zinc/37/80/89/197378089.db2.gz ZGXKZQSYNNGWIW-IAGOWNOFSA-N 0 3 304.434 2.755 20 70 DFIDHN CCN(CC)CC(=O)N[C@@H](c1cccc(C)c1)c1ccccn1 ZINC000159958115 197376211 /nfs/dbraw/zinc/37/62/11/197376211.db2.gz OSTLSHHPQGEECG-IBGZPJMESA-N 0 3 311.429 2.937 20 70 DFIDHN COc1cccc(CN[C@H]2[C@H]3CCO[C@@H]3C23CCC3)c1OC ZINC000159511029 197359764 /nfs/dbraw/zinc/35/97/64/197359764.db2.gz ZGRAKBHGNLHHRN-COXVUDFISA-N 0 3 303.402 2.751 20 70 DFIDHN COCCc1ccc(Oc2ccc(NC(=O)[C@H](C)N)cc2)cc1 ZINC000159439722 197353643 /nfs/dbraw/zinc/35/36/43/197353643.db2.gz QWRZDNRCKPSKKW-ZDUSSCGKSA-N 0 3 314.385 2.954 20 70 DFIDHN O=C(Nc1ccc(OCC2CCOCC2)cc1)[C@H]1CCCCN1 ZINC000159412411 197351189 /nfs/dbraw/zinc/35/11/89/197351189.db2.gz GLTYCFDVGNVCJB-QGZVFWFLSA-N 0 3 318.417 2.573 20 70 DFIDHN C[C@@H]1CCCC[C@H]1N(C)C(=O)CN(CCCO)CC(C)(C)C ZINC000217138912 296351708 /nfs/dbraw/zinc/35/17/08/296351708.db2.gz PPRUEWSULOQVLR-HZPDHXFCSA-N 0 3 312.498 2.754 20 70 DFIDHN CSc1cc(C(=O)Nc2cnn(CCN(C)C)c2)ccc1F ZINC000160297532 542721833 /nfs/dbraw/zinc/72/18/33/542721833.db2.gz WUAHDMNQTRTJIL-UHFFFAOYSA-N 0 3 322.409 2.558 20 70 DFIDHN CC(C)OCCNC[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000160196375 542722157 /nfs/dbraw/zinc/72/21/57/542722157.db2.gz UAOWHAXKSRVWEZ-GFCCVEGCSA-N 0 3 322.232 2.748 20 70 DFIDHN COc1ccc(CN2CCN(c3ccncc3)CC2)cc1F ZINC000161393196 542729586 /nfs/dbraw/zinc/72/95/86/542729586.db2.gz PAQPZKYDXMHNNL-UHFFFAOYSA-N 0 3 301.365 2.552 20 70 DFIDHN CCN(CCCNCc1nccn1CC)C(=O)OC(C)(C)C ZINC000217799566 268139962 /nfs/dbraw/zinc/13/99/62/268139962.db2.gz GBHKDQPDSFNCPO-UHFFFAOYSA-N 0 3 310.442 2.640 20 70 DFIDHN CC1=C(C(=O)NCCCN(C)Cc2ccccc2)CCCO1 ZINC000160403472 425981974 /nfs/dbraw/zinc/98/19/74/425981974.db2.gz NKFCGXJMKAASFO-UHFFFAOYSA-N 0 3 302.418 2.709 20 70 DFIDHN CC#CCN1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000160447381 425983122 /nfs/dbraw/zinc/98/31/22/425983122.db2.gz ILJVXXSACTXSOF-AWEZNQCLSA-N 0 3 303.381 2.683 20 70 DFIDHN COc1cc(OC)c(OC)cc1CN[C@H]1CCOC(C)(C)C1 ZINC000160471668 425983867 /nfs/dbraw/zinc/98/38/67/425983867.db2.gz SINYMZYDHFXZSX-ZDUSSCGKSA-N 0 3 309.406 2.760 20 70 DFIDHN Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1cnc3ccsc3c1)CC2 ZINC000160507664 425985018 /nfs/dbraw/zinc/98/50/18/425985018.db2.gz ZLTPDOWZBRPDQL-GWCFXTLKSA-N 0 3 313.430 2.862 20 70 DFIDHN CC1CCN(CCNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)CC1 ZINC000160551179 425986019 /nfs/dbraw/zinc/98/60/19/425986019.db2.gz YXNDRQZHAUQKBK-LSDHHAIUSA-N 0 3 322.399 2.916 20 70 DFIDHN O=C(NCCN1CCCCC1)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000160569655 425987428 /nfs/dbraw/zinc/98/74/28/425987428.db2.gz HWDAYGUKLFTVBE-ZFWWWQNUSA-N 0 3 308.372 2.670 20 70 DFIDHN CCOc1ccc([C@H](C)N[C@@H]2CCc3nc(C)nn3C2)cc1 ZINC000160554572 425987931 /nfs/dbraw/zinc/98/79/31/425987931.db2.gz DKYKXHQJLWACMU-SWLSCSKDSA-N 0 3 300.406 2.651 20 70 DFIDHN CC(C)(O)CN[C@H]1CCc2c1cc(Br)cc2F ZINC000160597328 425989213 /nfs/dbraw/zinc/98/92/13/425989213.db2.gz JSGSSUIATQMFFC-LBPRGKRZSA-N 0 3 302.187 2.936 20 70 DFIDHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)c1ccc(N(C)C)cc1F ZINC000160755476 425994489 /nfs/dbraw/zinc/99/44/89/425994489.db2.gz JVBPEDHGFYXBLV-UONOGXRCSA-N 0 3 321.440 2.742 20 70 DFIDHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)[C@H]1CCCCO1 ZINC000160875831 425998661 /nfs/dbraw/zinc/99/86/61/425998661.db2.gz FXWWRWVNAQNGRP-DLBZAZTESA-N 0 3 302.418 2.509 20 70 DFIDHN COC(CN(Cc1ccc2c(c1)CCO2)C1CCCC1)OC ZINC000160881707 425999918 /nfs/dbraw/zinc/99/99/18/425999918.db2.gz QNFAGYKLQDNRKJ-UHFFFAOYSA-N 0 3 305.418 2.985 20 70 DFIDHN COc1ccc(CNC(=O)CN[C@@H]2c3ccccc3C[C@@H]2C)cc1 ZINC000160975301 426004379 /nfs/dbraw/zinc/00/43/79/426004379.db2.gz FIWMCZKHLNCFAZ-XOBRGWDASA-N 0 3 324.424 2.835 20 70 DFIDHN C[C@H]1CC[C@H](C(N)=O)CN1Cc1cnc(-c2cccs2)s1 ZINC000159624578 425964104 /nfs/dbraw/zinc/96/41/04/425964104.db2.gz VDLOMKIENIERQO-QWRGUYRKSA-N 0 3 321.471 2.957 20 70 DFIDHN CCC[C@H](N)C(=O)N[C@H](C)c1nc(-c2ccc(Cl)cc2)no1 ZINC000159616179 425964558 /nfs/dbraw/zinc/96/45/58/425964558.db2.gz SYSZCIUPEHPDCT-SKDRFNHKSA-N 0 3 322.796 2.695 20 70 DFIDHN CCC[C@@H](C(=O)NC1CCN(Cc2ccsc2)CC1)N(C)C ZINC000159659206 425965126 /nfs/dbraw/zinc/96/51/26/425965126.db2.gz CTFOHLYGIMSICM-INIZCTEOSA-N 0 3 323.506 2.559 20 70 DFIDHN O=C(NC1CCN(CCOCC2CC2)CC1)C1CCCCC1 ZINC000159744171 425966450 /nfs/dbraw/zinc/96/64/50/425966450.db2.gz KPJLKWADCCUSFK-UHFFFAOYSA-N 0 3 308.466 2.574 20 70 DFIDHN CSCC[C@@H](N)C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000159813639 425967765 /nfs/dbraw/zinc/96/77/65/425967765.db2.gz ZRISCUMWSSEOQJ-TZMCWYRMSA-N 0 3 312.866 2.736 20 70 DFIDHN CC(=O)N1CC[C@@H](N[C@H](C)c2cccc(Br)c2)C1 ZINC000159815129 425968227 /nfs/dbraw/zinc/96/82/27/425968227.db2.gz YCZZNFLWZWRVDW-QMTHXVAHSA-N 0 3 311.223 2.721 20 70 DFIDHN CCN1CCCN(C(=O)NC[C@@H](C)Cc2cccs2)CC1 ZINC000159909103 425970897 /nfs/dbraw/zinc/97/08/97/425970897.db2.gz WKAICLMQJYFKTI-AWEZNQCLSA-N 0 3 309.479 2.664 20 70 DFIDHN CCN(C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000160012022 425972479 /nfs/dbraw/zinc/97/24/79/425972479.db2.gz XRRCLXOFEWLPDC-WMLDXEAASA-N 0 3 301.434 2.701 20 70 DFIDHN CCCN1CCCN(C(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000160012379 425973450 /nfs/dbraw/zinc/97/34/50/425973450.db2.gz CMHVIKFRUQYPGV-UHFFFAOYSA-N 0 3 307.413 2.761 20 70 DFIDHN COc1cc(C)c([C@@H](C)N[C@H](CCO)CSC)cc1OC ZINC000160187740 425976055 /nfs/dbraw/zinc/97/60/55/425976055.db2.gz SFXUMBVWYUKSMZ-CHWSQXEVSA-N 0 3 313.463 2.777 20 70 DFIDHN CC(C)CCn1ccc(NC(=O)NCCN2CCCCC2)n1 ZINC000160228252 425978430 /nfs/dbraw/zinc/97/84/30/425978430.db2.gz XSNNSNDERDOJSX-UHFFFAOYSA-N 0 3 307.442 2.537 20 70 DFIDHN CCOCCC1(C(=O)NCC(C)(C)N2CCCCC2)CCC1 ZINC000161377597 426022477 /nfs/dbraw/zinc/02/24/77/426022477.db2.gz KBGMLEAQJONLIA-UHFFFAOYSA-N 0 3 310.482 2.964 20 70 DFIDHN CCn1cnnc1[C@H]1CCCN(Cc2cccc(OC)c2)C1 ZINC000161428620 426023348 /nfs/dbraw/zinc/02/33/48/426023348.db2.gz VZEITPNSKBKIQE-HNNXBMFYSA-N 0 3 300.406 2.686 20 70 DFIDHN CCN(CC)C(=O)CN[C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000161472897 426025824 /nfs/dbraw/zinc/02/58/24/426025824.db2.gz JZIHPKVCQCSANO-GOSISDBHSA-N 0 3 320.433 2.613 20 70 DFIDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC000161095469 426008919 /nfs/dbraw/zinc/00/89/19/426008919.db2.gz SEPIALXPGADMIB-BZNIZROVSA-N 0 3 303.381 2.766 20 70 DFIDHN CCCN(CCO)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000161199222 426012457 /nfs/dbraw/zinc/01/24/57/426012457.db2.gz CJUBKNDRODHIDS-UHFFFAOYSA-N 0 3 312.417 2.668 20 70 DFIDHN NC1(C(=O)NCc2ccccc2OC2CCC2)CCCCC1 ZINC000161200012 426012715 /nfs/dbraw/zinc/01/27/15/426012715.db2.gz GDHFRIOTMJQRFJ-UHFFFAOYSA-N 0 3 302.418 2.896 20 70 DFIDHN CSCC[C@@H](N)C(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000161247953 426014709 /nfs/dbraw/zinc/01/47/09/426014709.db2.gz GEKRJNOPTLMHTE-UXIGCNINSA-N 0 3 310.438 2.611 20 70 DFIDHN N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000161258461 426015465 /nfs/dbraw/zinc/01/54/65/426015465.db2.gz WEOBXUNHZWKYQJ-OALUTQOASA-N 0 3 308.425 2.694 20 70 DFIDHN CCC[C@@H](C(=O)N[C@@H](C)c1cc(OC)ccc1OC)N(C)C ZINC000161280645 426016864 /nfs/dbraw/zinc/01/68/64/426016864.db2.gz QUMONAUAHHBFGQ-WFASDCNBSA-N 0 3 308.422 2.611 20 70 DFIDHN COc1cccc(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1OC ZINC000159510777 278013227 /nfs/dbraw/zinc/01/32/27/278013227.db2.gz ZGRAKBHGNLHHRN-JQFCIGGWSA-N 0 3 303.402 2.751 20 70 DFIDHN Cc1cc(C)nc(NC(=O)N2CCC(N3CC=CC3)CC2)c1 ZINC000160456485 280462253 /nfs/dbraw/zinc/46/22/53/280462253.db2.gz AWNCJOPVRDDORR-UHFFFAOYSA-N 0 3 300.406 2.567 20 70 DFIDHN Cc1noc(C)c1[C@H](C)CNC(=O)N[C@@H](CC(C)C)CN(C)C ZINC000159640368 295379365 /nfs/dbraw/zinc/37/93/65/295379365.db2.gz OVFWEFKOILGTPG-DOMZBBRYSA-N 0 3 324.469 2.670 20 70 DFIDHN COC(=O)c1ccc(NC(=O)CN2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000159672416 295380207 /nfs/dbraw/zinc/38/02/07/295380207.db2.gz LODQQKCJXXKGCU-BBRMVZONSA-N 0 3 316.401 2.676 20 70 DFIDHN CNC(=O)c1cccc(CN(CCc2nccs2)C(C)C)c1 ZINC000159805381 295382105 /nfs/dbraw/zinc/38/21/05/295382105.db2.gz RTIBNQNZKBMQPA-UHFFFAOYSA-N 0 3 317.458 2.956 20 70 DFIDHN CN(C)CCN(Cc1ccccn1)c1nc(C(C)(C)C)ns1 ZINC000160031903 295385671 /nfs/dbraw/zinc/38/56/71/295385671.db2.gz DMGZIRKPNBUTPW-UHFFFAOYSA-N 0 3 319.478 2.799 20 70 DFIDHN Cc1cccc([C@H]2CCCN2C[C@H](O)COCc2ccco2)n1 ZINC000160107769 295386431 /nfs/dbraw/zinc/38/64/31/295386431.db2.gz HPROUQYPQHABQY-MAUKXSAKSA-N 0 3 316.401 2.698 20 70 DFIDHN COCC(C)(C)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000160386312 295390851 /nfs/dbraw/zinc/39/08/51/295390851.db2.gz WGTKCMIHAKXKES-ZDUSSCGKSA-N 0 3 310.463 2.674 20 70 DFIDHN CN(C)Cc1ccc(CNC(=O)N[C@H]2CCOC(C)(C)C2)cc1 ZINC000161463672 295403282 /nfs/dbraw/zinc/40/32/82/295403282.db2.gz MVQFNBQPWJXPSO-INIZCTEOSA-N 0 3 319.449 2.505 20 70 DFIDHN O=C1CCCN1CCCN[C@H]1CCCOc2ccc(F)cc21 ZINC000159490754 304626384 /nfs/dbraw/zinc/62/63/84/304626384.db2.gz XRDDINZFWXYVMZ-HNNXBMFYSA-N 0 3 306.381 2.642 20 70 DFIDHN CC(C)CCn1ccc(NC(=O)N(CCN(C)C)CC(C)C)n1 ZINC000159682255 519703067 /nfs/dbraw/zinc/70/30/67/519703067.db2.gz XNYKCRGAUQHZIB-UHFFFAOYSA-N 0 3 323.485 2.981 20 70 DFIDHN Cc1cc(Br)cc(CN2CC[C@@H]([NH+](C)C)C2)c1[O-] ZINC000160966186 526157836 /nfs/dbraw/zinc/15/78/36/526157836.db2.gz ITTIFUQJIIVRAD-CYBMUJFWSA-N 0 3 313.239 2.599 20 70 DFIDHN CCC[C@@H](C(=O)N[C@H]1CCCN(c2ccccc2)C1)N(C)C ZINC000159603771 186130137 /nfs/dbraw/zinc/13/01/37/186130137.db2.gz WXRWHUZHFGYSRP-RDJZCZTQSA-N 0 3 303.450 2.502 20 70 DFIDHN CCS(=O)(=O)c1ccc([C@@H](C)N[C@@H](COC)C(C)C)cc1 ZINC000159661247 186133665 /nfs/dbraw/zinc/13/36/65/186133665.db2.gz OWKSNJVEUOVAMN-CJNGLKHVSA-N 0 3 313.463 2.802 20 70 DFIDHN C[C@H](c1nc(Cc2ccccc2)no1)N1CCN(C2CC2)CC1 ZINC000159719900 186137361 /nfs/dbraw/zinc/13/73/61/186137361.db2.gz QMOBSRNEQUAINE-CQSZACIVSA-N 0 3 312.417 2.501 20 70 DFIDHN Cc1nn(C)cc1CN[C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000159628076 398965181 /nfs/dbraw/zinc/96/51/81/398965181.db2.gz SJOQDLXTNARMPC-GOSISDBHSA-N 0 3 315.417 2.987 20 70 DFIDHN Cc1nc2cc(NC(=O)N[C@@H]3CCN(CC4CC4)C3)ccc2o1 ZINC000160639131 398971501 /nfs/dbraw/zinc/97/15/01/398971501.db2.gz PZXNRJRGCUTGIO-CQSZACIVSA-N 0 3 314.389 2.742 20 70 DFIDHN CCN1CCCN(C(=O)NC[C@@H](C)Sc2ccccc2)CC1 ZINC000159923979 197373791 /nfs/dbraw/zinc/37/37/91/197373791.db2.gz HDMMYCGFYDDLON-OAHLLOKOSA-N 0 3 321.490 2.904 20 70 DFIDHN CCN1CCCN(C(=O)NCCc2cc3ccccc3o2)CC1 ZINC000159890493 197370709 /nfs/dbraw/zinc/37/07/09/197370709.db2.gz SXWPUABHDHBHNV-UHFFFAOYSA-N 0 3 315.417 2.713 20 70 DFIDHN CSCC[C@@H](N)C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000159813496 197366606 /nfs/dbraw/zinc/36/66/06/197366606.db2.gz ZRISCUMWSSEOQJ-GXTWGEPZSA-N 0 3 312.866 2.736 20 70 DFIDHN C[C@@H](NCCCN1CCCC1=O)c1cc(F)c(F)c(F)c1 ZINC000159515044 197359981 /nfs/dbraw/zinc/35/99/81/197359981.db2.gz IFGIDIVYPNNSSD-SNVBAGLBSA-N 0 3 300.324 2.767 20 70 DFIDHN CN1[C@@H]2CC[C@H]1CCN(C(=O)CCc1ccc(F)cc1F)C2 ZINC000159459058 197354900 /nfs/dbraw/zinc/35/49/00/197354900.db2.gz DXHJVHHZTJDVNU-LSDHHAIUSA-N 0 3 308.372 2.593 20 70 DFIDHN CC[C@H](N)C(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000159977357 197378078 /nfs/dbraw/zinc/37/80/78/197378078.db2.gz GXDYSLKEJDHWHK-QMMMGPOBSA-N 0 3 310.703 2.957 20 70 DFIDHN CSCC[C@@H](N)C(=O)Nc1ccc(C)c(OC(F)F)c1 ZINC000160092477 197385018 /nfs/dbraw/zinc/38/50/18/197385018.db2.gz QSMINAPFZSPBKP-SNVBAGLBSA-N 0 3 304.362 2.615 20 70 DFIDHN CCN1CCCN(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000159578903 285215486 /nfs/dbraw/zinc/21/54/86/285215486.db2.gz BZFKFABIICSKEJ-STQMWFEESA-N 0 3 321.387 2.845 20 70 DFIDHN CC(C)C[C@@H](N)C(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC000159412289 542717726 /nfs/dbraw/zinc/71/77/26/542717726.db2.gz YUHXWJSSPCGCIT-QGZVFWFLSA-N 0 3 320.433 2.804 20 70 DFIDHN CCC(C)(CC)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000159464455 542718073 /nfs/dbraw/zinc/71/80/73/542718073.db2.gz UXFYNIVBPYKFKO-KRWDZBQOSA-N 0 3 318.461 2.696 20 70 DFIDHN C[C@H](C(=O)N[C@H]1CCOc2ccccc21)N1C[C@H](C)C[C@H](C)C1 ZINC000218675796 542879086 /nfs/dbraw/zinc/87/90/86/542879086.db2.gz MCRJECRGQHMNEV-DLTWYDFYSA-N 0 3 316.445 2.993 20 70 DFIDHN COCCC1(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)CC1 ZINC000161034598 292296082 /nfs/dbraw/zinc/29/60/82/292296082.db2.gz HZCGHJGXZXNFTM-INIZCTEOSA-N 0 3 304.434 2.531 20 70 DFIDHN CCn1ccnc1CNCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000217802163 268139786 /nfs/dbraw/zinc/13/97/86/268139786.db2.gz MHBOMVZOEHXBIM-AWEZNQCLSA-N 0 3 322.453 2.640 20 70 DFIDHN C[C@H](NCc1nccn1C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218249394 268139882 /nfs/dbraw/zinc/13/98/82/268139882.db2.gz CQANBHTVVFFUGW-UONOGXRCSA-N 0 3 322.453 2.545 20 70 DFIDHN CC[C@H](CC(=O)NC[C@@H](O)CN1CCCCC1)c1ccccc1 ZINC000160365657 425980541 /nfs/dbraw/zinc/98/05/41/425980541.db2.gz UNIPZXKZKJUATM-SJLPKXTDSA-N 0 3 318.461 2.533 20 70 DFIDHN CCc1nc(CN[C@H](C[C@H]2CCOC2)c2ccccc2)n[nH]1 ZINC000160486854 425984151 /nfs/dbraw/zinc/98/41/51/425984151.db2.gz GJPBVNFYOPOROD-UKRRQHHQSA-N 0 3 300.406 2.625 20 70 DFIDHN CC(C)C[C@H](NC(=O)C[C@@H]1CNCCO1)c1ccc(Cl)cc1 ZINC000160559336 425987274 /nfs/dbraw/zinc/98/72/74/425987274.db2.gz BROFNMWPUYGPQN-CVEARBPZSA-N 0 3 324.852 2.922 20 70 DFIDHN C[C@@H]1CCCN(CCNC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)C1 ZINC000160585400 425989036 /nfs/dbraw/zinc/98/90/36/425989036.db2.gz ISJOILADENHUQU-BPLDGKMQSA-N 0 3 322.399 2.916 20 70 DFIDHN COc1cccc(Cl)c1CC(=O)N(CCN(C)C)C(C)C ZINC000160787979 425996548 /nfs/dbraw/zinc/99/65/48/425996548.db2.gz RVZDECKAFCXAIP-UHFFFAOYSA-N 0 3 312.841 2.690 20 70 DFIDHN CC[C@H](NC[C@H](C)N(C)Cc1ccccc1)c1cnn(C)c1 ZINC000160853421 425999378 /nfs/dbraw/zinc/99/93/78/425999378.db2.gz DYYFGGGPSALOGH-YJBOKZPZSA-N 0 3 300.450 2.981 20 70 DFIDHN CC[C@H](NC[C@@H]1CN(C2CC2)CCO1)c1ccc(F)cc1F ZINC000160912287 426001959 /nfs/dbraw/zinc/00/19/59/426001959.db2.gz AWZISMKUPUFSRQ-PBHICJAKSA-N 0 3 310.388 2.869 20 70 DFIDHN Cc1nc2ccccn2c1CN1CCC[C@@H]1Cn1ccnc1C ZINC000160965012 426002893 /nfs/dbraw/zinc/00/28/93/426002893.db2.gz CWDILSXWAZGWEI-MRXNPFEDSA-N 0 3 309.417 2.812 20 70 DFIDHN CC[C@H](C)OCC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000160940779 426003187 /nfs/dbraw/zinc/00/31/87/426003187.db2.gz SQZPCCQKUQAWJR-AWEZNQCLSA-N 0 3 310.413 2.531 20 70 DFIDHN CC[C@@H](NCC(=O)NC(C)C)c1ccc(OC(F)F)cc1 ZINC000160985672 426003876 /nfs/dbraw/zinc/00/38/76/426003876.db2.gz VXPOOEGDBRIDIM-CYBMUJFWSA-N 0 3 300.349 2.853 20 70 DFIDHN CCN1CCCN(C(=O)N[C@@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000159555001 425963523 /nfs/dbraw/zinc/96/35/23/425963523.db2.gz NBRNIJDNGXRYTA-ZDUSSCGKSA-N 0 3 323.412 2.633 20 70 DFIDHN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1cccc(OC(F)(F)F)c1 ZINC000159666378 425965844 /nfs/dbraw/zinc/96/58/44/425965844.db2.gz NYPQIKPNHXGJPA-CMPLNLGQSA-N 0 3 316.323 2.671 20 70 DFIDHN COc1ccc2cc(CN3CCC(CC(N)=O)CC3)ccc2c1 ZINC000159735461 425966780 /nfs/dbraw/zinc/96/67/80/425966780.db2.gz SANCMZVJFGAEAC-UHFFFAOYSA-N 0 3 312.413 2.936 20 70 DFIDHN CCN1CCCN(C(=O)NCC(C)(C)Cc2ccccc2)CC1 ZINC000159874385 425968584 /nfs/dbraw/zinc/96/85/84/425968584.db2.gz LGVKZJIXSANFKD-UHFFFAOYSA-N 0 3 317.477 2.993 20 70 DFIDHN O=C(Cc1c[nH]c2ccc(Cl)cc12)NCCN1CCCCC1 ZINC000159889756 425969835 /nfs/dbraw/zinc/96/98/35/425969835.db2.gz YHMHLXFFNYFSQR-UHFFFAOYSA-N 0 3 319.836 2.966 20 70 DFIDHN CCN1CCCN(C(=O)N[C@@H](C)Cc2cc(C)cc(C)c2)CC1 ZINC000159917287 425970889 /nfs/dbraw/zinc/97/08/89/425970889.db2.gz RFVZKGJWKDBTTF-KRWDZBQOSA-N 0 3 317.477 2.972 20 70 DFIDHN CCC(=O)N[C@@H]1CCCN(CCCc2cccc(OC)c2)C1 ZINC000159940100 425971969 /nfs/dbraw/zinc/97/19/69/425971969.db2.gz LOAUOJAGWMVPGB-MRXNPFEDSA-N 0 3 304.434 2.618 20 70 DFIDHN CCS[C@H]1CCC[C@@H](NC(=O)N2CCCN(CC)CC2)C1 ZINC000159945525 425972215 /nfs/dbraw/zinc/97/22/15/425972215.db2.gz ZOAYUYVAGHJBHD-CABCVRRESA-N 0 3 313.511 2.788 20 70 DFIDHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1cccc(Cl)c1 ZINC000160010328 425972416 /nfs/dbraw/zinc/97/24/16/425972416.db2.gz AXUCBPKAZYKQCC-IOASZLSFSA-N 0 3 308.809 2.811 20 70 DFIDHN CCN(C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000160012138 425972768 /nfs/dbraw/zinc/97/27/68/425972768.db2.gz XRRCLXOFEWLPDC-YOEHRIQHSA-N 0 3 301.434 2.701 20 70 DFIDHN CN(Cc1cccnc1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000161021011 426005442 /nfs/dbraw/zinc/00/54/42/426005442.db2.gz NQVATYHJZMHLJM-UHFFFAOYSA-N 0 3 303.450 2.798 20 70 DFIDHN CSCC[C@H](N)C(=O)Nc1ccc2nn(C(C)C)cc2c1 ZINC000160070030 425973896 /nfs/dbraw/zinc/97/38/96/425973896.db2.gz FBIQDCRFDVYYAH-ZDUSSCGKSA-N 0 3 306.435 2.636 20 70 DFIDHN Fc1ccc(CN2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000161395726 426022391 /nfs/dbraw/zinc/02/23/91/426022391.db2.gz QXROFQGLHLUYMM-AWEZNQCLSA-N 0 3 300.381 2.743 20 70 DFIDHN COc1cccc(CN2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000161411379 426022661 /nfs/dbraw/zinc/02/26/61/426022661.db2.gz RVTMZZSFYGSLBR-HNNXBMFYSA-N 0 3 312.417 2.613 20 70 DFIDHN C[C@H]1CCN(C(=O)CNC[C@@H]2CCCO2)[C@H]1c1cccc(F)c1 ZINC000161485977 426026289 /nfs/dbraw/zinc/02/62/89/426026289.db2.gz VINXYTKLLXXKJR-QANKJYHBSA-N 0 3 320.408 2.504 20 70 DFIDHN CCN1CCC[C@H]1CNC(=O)CCc1ccc(Cl)c(OC)c1 ZINC000161083275 426007429 /nfs/dbraw/zinc/00/74/29/426007429.db2.gz DWDVTHYUTWDSEJ-AWEZNQCLSA-N 0 3 324.852 2.882 20 70 DFIDHN CSCC[C@H](N)C(=O)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000161072045 426008016 /nfs/dbraw/zinc/00/80/16/426008016.db2.gz OWSWCDHOCJKEOP-LBPRGKRZSA-N 0 3 310.467 2.866 20 70 DFIDHN COc1ccc(Br)c(CNC(C)(C)[C@H](C)O)c1 ZINC000161125948 426010472 /nfs/dbraw/zinc/01/04/72/426010472.db2.gz MLRWYIGZDGVTET-VIFPVBQESA-N 0 3 302.212 2.707 20 70 DFIDHN CC[C@@H](NC(=O)[C@H](N)CCSC)c1ccc(F)cc1F ZINC000161210466 426013510 /nfs/dbraw/zinc/01/35/10/426013510.db2.gz NPEXBQLIPSLNMM-CHWSQXEVSA-N 0 3 302.390 2.613 20 70 DFIDHN CCN(Cc1ccc(C(=O)N[C@H](CO)CC(C)C)cc1)C1CC1 ZINC000161247557 426015316 /nfs/dbraw/zinc/01/53/16/426015316.db2.gz PQYAJSJDCNEXSF-KRWDZBQOSA-N 0 3 318.461 2.808 20 70 DFIDHN CCn1cnnc1[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000161270575 426016265 /nfs/dbraw/zinc/01/62/65/426016265.db2.gz GDXNSSNPSAMATA-CQSZACIVSA-N 0 3 315.377 2.586 20 70 DFIDHN C[C@@H](NCc1cc[nH]n1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218177148 426566133 /nfs/dbraw/zinc/56/61/33/426566133.db2.gz LNHRVRYAKFAROO-CHWSQXEVSA-N 0 3 308.426 2.535 20 70 DFIDHN CCN1CCCN(C(=O)NCCc2c(C)cccc2C)CC1 ZINC000160007949 276161935 /nfs/dbraw/zinc/16/19/35/276161935.db2.gz VMKDGAMDOLUMFP-UHFFFAOYSA-N 0 3 303.450 2.583 20 70 DFIDHN CCN1CCCN(C(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000159511824 276162085 /nfs/dbraw/zinc/16/20/85/276162085.db2.gz DYOGBAUAKMRRAS-QGZVFWFLSA-N 0 3 301.434 2.801 20 70 DFIDHN CC[C@@H](N[C@H]1CCc2nc(C)nn2C1)c1cccc([N+](=O)[O-])c1 ZINC000160495042 276442154 /nfs/dbraw/zinc/44/21/54/276442154.db2.gz PCXCOYCHSGDHNE-DZGCQCFKSA-N 0 3 315.377 2.550 20 70 DFIDHN C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160805222 278145423 /nfs/dbraw/zinc/14/54/23/278145423.db2.gz SIXJHOLJBFQQDF-VYIWNADRSA-N 0 3 322.493 2.506 20 70 DFIDHN Cc1ccc(CN2CCCC[C@@H]2CCNS(C)(=O)=O)cc1C ZINC000159437248 295376795 /nfs/dbraw/zinc/37/67/95/295376795.db2.gz BOGCXFRZGFHWSE-QGZVFWFLSA-N 0 3 324.490 2.597 20 70 DFIDHN Cc1ccc(C[C@H](C)N(C)C(=O)NC[C@@H]2CCCN(C)C2)cc1 ZINC000159445341 295376857 /nfs/dbraw/zinc/37/68/57/295376857.db2.gz VFFMHXUKLOXPCH-WMZOPIPTSA-N 0 3 317.477 2.909 20 70 DFIDHN Cc1noc(C)c1[C@H](C)CNC(=O)N[C@H](CC(C)C)CN(C)C ZINC000159640621 295379392 /nfs/dbraw/zinc/37/93/92/295379392.db2.gz OVFWEFKOILGTPG-IUODEOHRSA-N 0 3 324.469 2.670 20 70 DFIDHN C[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)C[C@@H]1C ZINC000159716552 295380605 /nfs/dbraw/zinc/38/06/05/295380605.db2.gz SZYZOKVISBNZGX-VYDXJSESSA-N 0 3 303.450 2.977 20 70 DFIDHN CN(CC(=O)Nc1cc(C(C)(C)C)nn1C)C(C1CC1)C1CC1 ZINC000159867116 295383010 /nfs/dbraw/zinc/38/30/10/295383010.db2.gz XOEXGGIBKFRASV-UHFFFAOYSA-N 0 3 318.465 2.777 20 70 DFIDHN CC(C)N1C[C@H](NC(=O)N2CCc3cccc(F)c3C2)[C@@H](C)C1 ZINC000159925146 295384101 /nfs/dbraw/zinc/38/41/01/295384101.db2.gz YTAZFHCEAQQIPI-GUYCJALGSA-N 0 3 319.424 2.622 20 70 DFIDHN CCCCn1ncc(NC(=O)N[C@H](C)CN2CCCCC2)c1C ZINC000160126286 295387002 /nfs/dbraw/zinc/38/70/02/295387002.db2.gz LUOUTHSYFOYPKG-CQSZACIVSA-N 0 3 321.469 2.988 20 70 DFIDHN COc1ccc(C[C@H](C)C(=O)N[C@@H](CC(C)C)CN(C)C)cc1 ZINC000160250555 295388501 /nfs/dbraw/zinc/38/85/01/295388501.db2.gz YQJWAQGZTLIYAU-RDJZCZTQSA-N 0 3 320.477 2.966 20 70 DFIDHN Cc1cccc2[nH]c(CNC(=O)c3cccc(CN(C)C)c3)nc21 ZINC000160370803 295390370 /nfs/dbraw/zinc/39/03/70/295390370.db2.gz PCIYXEWJJQDMOJ-UHFFFAOYSA-N 0 3 322.412 2.863 20 70 DFIDHN Cc1cccc2nc(CNC(=O)c3cccc(CN(C)C)c3)[nH]c21 ZINC000160370803 295390372 /nfs/dbraw/zinc/39/03/72/295390372.db2.gz PCIYXEWJJQDMOJ-UHFFFAOYSA-N 0 3 322.412 2.863 20 70 DFIDHN CC[C@@H](c1ccccc1)S(=O)(=O)C(C)C(=O)N(C)C(C)C ZINC000160450324 295391493 /nfs/dbraw/zinc/39/14/93/295391493.db2.gz QJNKKBIFAAZYLX-HIFRSBDPSA-N 0 3 311.447 2.808 20 70 DFIDHN CC[C@H](c1ccccc1)S(=O)(=O)C(C)C(=O)N(C)C(C)C ZINC000160450455 295391553 /nfs/dbraw/zinc/39/15/53/295391553.db2.gz QJNKKBIFAAZYLX-UKRRQHHQSA-N 0 3 311.447 2.808 20 70 DFIDHN C[C@H]1CCCCN1CCNC(=O)c1cc(F)cc2cccnc21 ZINC000160494196 295391931 /nfs/dbraw/zinc/39/19/31/295391931.db2.gz RZWTXYSZKCXLRC-ZDUSSCGKSA-N 0 3 315.392 2.978 20 70 DFIDHN CC(C)CN1CCC[C@@H]1CNC(=O)c1csc(C2CC2)n1 ZINC000160581406 295392984 /nfs/dbraw/zinc/39/29/84/295392984.db2.gz PSKCSSQRMLYADI-CYBMUJFWSA-N 0 3 307.463 2.871 20 70 DFIDHN Cc1cc(C)c([C@@H](C)NCC(=O)NCC(F)(F)F)cc1C ZINC000160618355 295393885 /nfs/dbraw/zinc/39/38/85/295393885.db2.gz BPQDASWXZNXNGF-GFCCVEGCSA-N 0 3 302.340 2.941 20 70 DFIDHN N#CCC[C@@H](NC(=O)N1CC[C@@H](N2CC=CC2)C1)c1ccccc1 ZINC000160719389 332888874 /nfs/dbraw/zinc/88/88/74/332888874.db2.gz MAQVBIWHLOEBSW-QZTJIDSGSA-N 0 3 324.428 2.687 20 70 DFIDHN CC[N@H+](CCc1nccs1)Cc1cc(OC)c(OC)cc1[O-] ZINC000160484056 521182080 /nfs/dbraw/zinc/18/20/80/521182080.db2.gz YPKOQUBQIZEFBD-UHFFFAOYSA-N 0 3 322.430 2.931 20 70 DFIDHN CC[N@@H+](CCc1nccs1)Cc1cc(OC)c(OC)cc1[O-] ZINC000160484056 521182085 /nfs/dbraw/zinc/18/20/85/521182085.db2.gz YPKOQUBQIZEFBD-UHFFFAOYSA-N 0 3 322.430 2.931 20 70 DFIDHN C[C@@H](O)C(C)(C)NCc1cc(Br)cc2c1OCC2 ZINC000159571887 186127855 /nfs/dbraw/zinc/12/78/55/186127855.db2.gz KESXULFYMAQIJG-SECBINFHSA-N 0 3 314.223 2.633 20 70 DFIDHN CCS(=O)(=O)c1ccc([C@H](C)NCCCSC)cc1 ZINC000159590260 186129854 /nfs/dbraw/zinc/12/98/54/186129854.db2.gz UVJGZDKHSXMYRL-LBPRGKRZSA-N 0 3 301.477 2.884 20 70 DFIDHN COCCOC[C@@H]1CCN(Cc2ccc(OC)c(Cl)c2)C1 ZINC000159736755 186138583 /nfs/dbraw/zinc/13/85/83/186138583.db2.gz ZNRQERBPFHXZHP-CQSZACIVSA-N 0 3 313.825 2.834 20 70 DFIDHN CSC[C@H](CCO)N[C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000160346788 398970577 /nfs/dbraw/zinc/97/05/77/398970577.db2.gz CJDOFVWZSZJZJJ-PBHICJAKSA-N 0 3 319.474 2.696 20 70 DFIDHN CCN1CCCN(C(=O)NCc2nc(C(C)C)cs2)CC1 ZINC000160001788 197379483 /nfs/dbraw/zinc/37/94/83/197379483.db2.gz AJJRDMNKJMWMDZ-UHFFFAOYSA-N 0 3 310.467 2.504 20 70 DFIDHN CCN1CCCN(C(=O)NC[C@H](C)Sc2ccccc2)CC1 ZINC000159924124 197374286 /nfs/dbraw/zinc/37/42/86/197374286.db2.gz HDMMYCGFYDDLON-HNNXBMFYSA-N 0 3 321.490 2.904 20 70 DFIDHN C[C@H]1C[C@H](NC(=O)N(C)CC2CC2)CN1Cc1ccccc1 ZINC000159892843 197371466 /nfs/dbraw/zinc/37/14/66/197371466.db2.gz OSHSTDKUCXAMAL-YOEHRIQHSA-N 0 3 301.434 2.701 20 70 DFIDHN C[C@@H]1C[C@H](NC(=O)N(C)CC2CC2)CN1Cc1ccccc1 ZINC000159892701 197371439 /nfs/dbraw/zinc/37/14/39/197371439.db2.gz OSHSTDKUCXAMAL-PBHICJAKSA-N 0 3 301.434 2.701 20 70 DFIDHN CC[C@@H](COC)NC(=O)NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000159866636 197370018 /nfs/dbraw/zinc/37/00/18/197370018.db2.gz SVYUTRLBHDOKJT-ZBFHGGJFSA-N 0 3 321.465 2.840 20 70 DFIDHN NC(=O)CC1CCN(Cc2cccc(-c3ccccn3)c2)CC1 ZINC000159803852 197365934 /nfs/dbraw/zinc/36/59/34/197365934.db2.gz KXNIMMHIGKKCJW-UHFFFAOYSA-N 0 3 309.413 2.836 20 70 DFIDHN C[C@H](NCCCN1CCCC1=O)c1ccccc1OC(F)F ZINC000159510265 197360023 /nfs/dbraw/zinc/36/00/23/197360023.db2.gz JWCLSMODKDRYRT-LBPRGKRZSA-N 0 3 312.360 2.951 20 70 DFIDHN CCN1CCCN(C(=O)NCc2nc3ccccc3s2)CC1 ZINC000159506338 197358738 /nfs/dbraw/zinc/35/87/38/197358738.db2.gz WMFIUCOHQARBNS-UHFFFAOYSA-N 0 3 318.446 2.534 20 70 DFIDHN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@@H]1CCCCN1 ZINC000159454404 197355465 /nfs/dbraw/zinc/35/54/65/197355465.db2.gz JBLDMXWNOOBQAF-BYCMXARLSA-N 0 3 310.825 2.674 20 70 DFIDHN OCC[C@H]1CCCCN1Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000159729651 542719573 /nfs/dbraw/zinc/71/95/73/542719573.db2.gz KNONSJRQJXOQCY-MJGOQNOKSA-N 0 3 319.445 2.981 20 70 DFIDHN CSC[C@@](C)(O)CNCc1cc(Br)ccc1F ZINC000217850271 146000738 /nfs/dbraw/zinc/00/07/38/146000738.db2.gz BINHGMLIFYDFPO-LBPRGKRZSA-N 0 3 322.243 2.792 20 70 DFIDHN CCOC[C@H](C)NCc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000160320726 286161778 /nfs/dbraw/zinc/16/17/78/286161778.db2.gz NCRBLQCNTSRSIQ-GVDBMIGSSA-N 0 3 320.477 2.810 20 70 DFIDHN CC[C@@H](C)[C@H](N)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000159498629 286804789 /nfs/dbraw/zinc/80/47/89/286804789.db2.gz CFKNETXCCHXZBR-SFYZADRCSA-N 0 3 320.277 2.703 20 70 DFIDHN C[C@@H](CC(N)=O)N[C@@H](C)c1cc(Br)ccc1F ZINC000161350841 267547127 /nfs/dbraw/zinc/54/71/27/267547127.db2.gz ZJJGRKLKJQTAFM-YUMQZZPRSA-N 0 3 303.175 2.503 20 70 DFIDHN C[C@@H]1CCO[C@@H]1C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000160376703 425980952 /nfs/dbraw/zinc/98/09/52/425980952.db2.gz LLBHBHLQNMJRHD-QAPCUYQASA-N 0 3 316.445 2.534 20 70 DFIDHN CC(C)[NH+]1CCC(NC(=O)Cc2ccc([O-])cc2Cl)CC1 ZINC000160418686 425982204 /nfs/dbraw/zinc/98/22/04/425982204.db2.gz MMOSOCIFNRIUQY-UHFFFAOYSA-N 0 3 310.825 2.577 20 70 DFIDHN CC(C)N(C(=O)[C@H](C)N1CC[C@]2(O)CCCC[C@@H]2C1)C(C)C ZINC000160528025 425985190 /nfs/dbraw/zinc/98/51/90/425985190.db2.gz MOGULLWSQXXFGN-LZLYRXPVSA-N 0 3 310.482 2.647 20 70 DFIDHN O=C(CN[C@@H]1CCC[C@H]1c1ccccc1)NCC(F)(F)F ZINC000160556380 425987567 /nfs/dbraw/zinc/98/75/67/425987567.db2.gz JCWMOYHGLNGYJG-QWHCGFSZSA-N 0 3 300.324 2.591 20 70 DFIDHN CN(Cc1cccn1C)C(=O)[C@H]1CCCN1Cc1ccccc1 ZINC000160553049 425987659 /nfs/dbraw/zinc/98/76/59/425987659.db2.gz JFLWPIHOARCMTI-GOSISDBHSA-N 0 3 311.429 2.648 20 70 DFIDHN CC(C)C[C@@H](NC(=O)C[C@H]1CNCCO1)c1ccc(Cl)cc1 ZINC000160559728 425988073 /nfs/dbraw/zinc/98/80/73/425988073.db2.gz BROFNMWPUYGPQN-JKSUJKDBSA-N 0 3 324.852 2.922 20 70 DFIDHN COCCCOC1CCN(Cc2c(C)nc3ccccn32)CC1 ZINC000160588672 425988478 /nfs/dbraw/zinc/98/84/78/425988478.db2.gz ZJELZGMUTZFSIM-UHFFFAOYSA-N 0 3 317.433 2.660 20 70 DFIDHN COc1ccc([C@H](C)NC[C@@H]2CCCC[C@@H]2O)cc1NC(C)=O ZINC000160591612 425988613 /nfs/dbraw/zinc/98/86/13/425988613.db2.gz OFNIFZVBCSYNIE-NUTKFTJISA-N 0 3 320.433 2.855 20 70 DFIDHN O=[N+]([O-])c1cccc(OCCN2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000160774562 425995843 /nfs/dbraw/zinc/99/58/43/425995843.db2.gz BIVXLHGUCWPBIK-RHSMWYFYSA-N 0 3 320.389 2.601 20 70 DFIDHN CC(C)N(C)C(=O)[C@H](C)N[C@H](C)c1ccccc1-n1cccn1 ZINC000160864176 425998589 /nfs/dbraw/zinc/99/85/89/425998589.db2.gz OTJKRHLJUBHHSK-CABCVRRESA-N 0 3 314.433 2.778 20 70 DFIDHN CC(C)[C@H](N)C(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 ZINC000160862123 425999026 /nfs/dbraw/zinc/99/90/26/425999026.db2.gz ULRGXOJFEKVAIB-QKKBWIMNSA-N 0 3 310.463 2.656 20 70 DFIDHN Cc1ccc(C(=O)CCN[C@@]2(CO)CCc3ccccc32)cc1 ZINC000160896269 426000431 /nfs/dbraw/zinc/00/04/31/426000431.db2.gz MVYXSNQHXFHNLD-HXUWFJFHSA-N 0 3 309.409 2.991 20 70 DFIDHN CC[C@@H](NC[C@@H]1CN(C2CC2)CCO1)c1ccc(F)cc1F ZINC000160912424 426001532 /nfs/dbraw/zinc/00/15/32/426001532.db2.gz AWZISMKUPUFSRQ-RHSMWYFYSA-N 0 3 310.388 2.869 20 70 DFIDHN CCOCCC1(CNC(=O)[C@@H](C)N2CCCCCC2)CCC1 ZINC000160958587 426002649 /nfs/dbraw/zinc/00/26/49/426002649.db2.gz XGLSGMHNCFJOLB-MRXNPFEDSA-N 0 3 310.482 2.964 20 70 DFIDHN COC(=O)C1(N(C)CCCCCn2cc(C)cn2)CCCC1 ZINC000159362617 425959112 /nfs/dbraw/zinc/95/91/12/425959112.db2.gz FIYYBZISSNIXAR-UHFFFAOYSA-N 0 3 307.438 2.779 20 70 DFIDHN O=C(c1cncc(F)c1)N1C[C@H]2CCCN2Cc2ccccc21 ZINC000159388867 425959139 /nfs/dbraw/zinc/95/91/39/425959139.db2.gz JLQHPZNXXKOPDN-MRXNPFEDSA-N 0 3 311.360 2.846 20 70 DFIDHN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1cnc(C2CCCC2)s1 ZINC000159551990 425963140 /nfs/dbraw/zinc/96/31/40/425963140.db2.gz IHUHSGYFXHKZIJ-DGCLKSJQSA-N 0 3 307.463 2.887 20 70 DFIDHN COC(=O)C1(c2ccccc2)CCN(CCOCC2CC2)CC1 ZINC000159640856 425964839 /nfs/dbraw/zinc/96/48/39/425964839.db2.gz IVUWYJHDTIGMJB-UHFFFAOYSA-N 0 3 317.429 2.620 20 70 DFIDHN CCCOc1cccc(CCNC(=O)[C@H](C(C)C)N(C)C)c1 ZINC000159741975 425966153 /nfs/dbraw/zinc/96/61/53/425966153.db2.gz LPNGJWAGGGGDNH-KRWDZBQOSA-N 0 3 306.450 2.720 20 70 DFIDHN CC(C)N(CCN(C)C)C(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000159795113 425967451 /nfs/dbraw/zinc/96/74/51/425967451.db2.gz CMXOCWHGKJOZAE-FGTMMUONSA-N 0 3 315.461 2.696 20 70 DFIDHN CCN1CCCN(C(=O)NCCc2cc(C)cc(C)c2)CC1 ZINC000159895141 425969818 /nfs/dbraw/zinc/96/98/18/425969818.db2.gz YQMFBQNVSMBODY-UHFFFAOYSA-N 0 3 303.450 2.583 20 70 DFIDHN C[C@H]1C[C@@H](NC(=O)N(C)CC2CC2)CN1Cc1ccccc1 ZINC000159893118 425970858 /nfs/dbraw/zinc/97/08/58/425970858.db2.gz OSHSTDKUCXAMAL-WMLDXEAASA-N 0 3 301.434 2.701 20 70 DFIDHN CC[C@H](C)N(C)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000159954835 425972226 /nfs/dbraw/zinc/97/22/26/425972226.db2.gz VBKDSDCRIPMLSI-ZOBUZTSGSA-N 0 3 303.450 2.947 20 70 DFIDHN CCCCNC(=O)c1ccc(CN[C@H](COC)C2CC2)cc1 ZINC000160119569 425974955 /nfs/dbraw/zinc/97/49/55/425974955.db2.gz RKFAPSRNSCSBTC-QGZVFWFLSA-N 0 3 304.434 2.731 20 70 DFIDHN CCc1nc(CN(C)C[C@@H](C)Cc2ccc(OC)cc2)n[nH]1 ZINC000160169804 425975567 /nfs/dbraw/zinc/97/55/67/425975567.db2.gz DHBAKHHYJFRAPX-ZDUSSCGKSA-N 0 3 302.422 2.686 20 70 DFIDHN CCCN(CCN(C)C)C(=O)Cc1c(Cl)cccc1OC ZINC000160133047 425975757 /nfs/dbraw/zinc/97/57/57/425975757.db2.gz WFFCUJZHNWZIQD-UHFFFAOYSA-N 0 3 312.841 2.691 20 70 DFIDHN CC[C@H](N[C@@H](CCO)CSC)c1ccc2c(c1)OCCO2 ZINC000160226709 425977677 /nfs/dbraw/zinc/97/76/77/425977677.db2.gz AAEQLMMGGLINOC-KBPBESRZSA-N 0 3 311.447 2.613 20 70 DFIDHN CCOC(=O)[C@H]1CCCN(CCN(C)Cc2ccc(F)cc2)C1 ZINC000160279263 425978035 /nfs/dbraw/zinc/97/80/35/425978035.db2.gz HISJGJXNEFXEPE-INIZCTEOSA-N 0 3 322.424 2.533 20 70 DFIDHN CC(C)N1C[C@H](NC(=O)c2ccc(F)c(F)c2F)[C@@H](C)C1 ZINC000161412393 426023595 /nfs/dbraw/zinc/02/35/95/426023595.db2.gz LCXPWYBWHVDQAA-CABZTGNLSA-N 0 3 300.324 2.562 20 70 DFIDHN CCCOc1cccc(CCNC(=O)[C@H](CCC)N(C)C)c1 ZINC000161449067 426024705 /nfs/dbraw/zinc/02/47/05/426024705.db2.gz VZLXRDJJIQCBSC-KRWDZBQOSA-N 0 3 306.450 2.864 20 70 DFIDHN Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)[C@H](N)C(C)C)cc1 ZINC000161102936 426009036 /nfs/dbraw/zinc/00/90/36/426009036.db2.gz GQZABGWISMJXBU-GVDBMIGSSA-N 0 3 304.434 2.562 20 70 DFIDHN CCCN(CCO)Cc1ccccc1OCc1cccnc1 ZINC000161223796 426013421 /nfs/dbraw/zinc/01/34/21/426013421.db2.gz LQZBEXAZUNGCSV-UHFFFAOYSA-N 0 3 300.402 2.865 20 70 DFIDHN C[C@H](N[C@@H]1CC(C)(C)OC1(C)C)C(=O)NCc1ccccc1 ZINC000161210579 426013854 /nfs/dbraw/zinc/01/38/54/426013854.db2.gz BMFPLUPDQIXJNP-DZGCQCFKSA-N 0 3 304.434 2.627 20 70 DFIDHN COc1ccc(C(C)(C)C(=O)NC2CCN(C3CC3)CC2)cc1 ZINC000161242044 426014889 /nfs/dbraw/zinc/01/48/89/426014889.db2.gz GYWRFXLGSXYCPA-UHFFFAOYSA-N 0 3 316.445 2.716 20 70 DFIDHN COCCN1CCC(NC(=O)C[C@@H]2CCCCC2(C)C)CC1 ZINC000161346255 426019583 /nfs/dbraw/zinc/01/95/83/426019583.db2.gz XQZVYGNQQCPERR-HNNXBMFYSA-N 0 3 310.482 2.820 20 70 DFIDHN Cc1c(NC(=O)N(C)CCN2CCCC2)cnn1CCC(C)C ZINC000161343772 426019825 /nfs/dbraw/zinc/01/98/25/426019825.db2.gz RFNQEFFBZYACKL-UHFFFAOYSA-N 0 3 321.469 2.797 20 70 DFIDHN C=C(Br)CNC1CC(NC(=O)OC(C)(C)C)C1 ZINC000161371326 426020733 /nfs/dbraw/zinc/02/07/33/426020733.db2.gz VLJHXTMHUMSBJK-UHFFFAOYSA-N 0 3 305.216 2.540 20 70 DFIDHN C[C@@H](NCc1ncc[nH]1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218249061 426568357 /nfs/dbraw/zinc/56/83/57/426568357.db2.gz LGUUGDGPLJCSKU-CHWSQXEVSA-N 0 3 308.426 2.535 20 70 DFIDHN CCC[C@@H](O)CNCc1ccc(I)cc1 ZINC000217913236 426564636 /nfs/dbraw/zinc/56/46/36/426564636.db2.gz NZTHZLZFZROTQS-GFCCVEGCSA-N 0 3 319.186 2.542 20 70 DFIDHN CC(C)[C@H](C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)N(C)C ZINC000159985899 275695188 /nfs/dbraw/zinc/69/51/88/275695188.db2.gz PSBJPSODEYEIMV-GDBMZVCRSA-N 0 3 304.434 2.991 20 70 DFIDHN CCOCCCN1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000159582080 276315022 /nfs/dbraw/zinc/31/50/22/276315022.db2.gz ZWMYKXNIRGSSPK-UHFFFAOYSA-N 0 3 324.852 2.915 20 70 DFIDHN CC[C@@H](N[C@H]1CCc2nc(C)nn2C1)c1cc(F)ccc1F ZINC000160387800 276534986 /nfs/dbraw/zinc/53/49/86/276534986.db2.gz HPKNLQAZHJKKQT-SWLSCSKDSA-N 0 3 306.360 2.920 20 70 DFIDHN C[C@@H](C(=O)NC1CCC(C)CC1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161096605 278205758 /nfs/dbraw/zinc/20/57/58/278205758.db2.gz DXFCFIXSPUNRJQ-OEAVDUQXSA-N 0 3 322.493 2.697 20 70 DFIDHN Cc1n[nH]c(C)c1CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000160207395 279054692 /nfs/dbraw/zinc/05/46/92/279054692.db2.gz WUNFTUSHYDASMQ-INIZCTEOSA-N 0 3 315.417 2.913 20 70 DFIDHN CCN1CCCN(C(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000159511986 279287043 /nfs/dbraw/zinc/28/70/43/279287043.db2.gz DYOGBAUAKMRRAS-KRWDZBQOSA-N 0 3 301.434 2.801 20 70 DFIDHN C[C@@H](N[C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccccn1 ZINC000159361163 295375718 /nfs/dbraw/zinc/37/57/18/295375718.db2.gz HIPDXQBKQFRQDG-SJLPKXTDSA-N 0 3 323.440 2.966 20 70 DFIDHN Cc1ccc(C[C@@H](C)NC(=O)NC[C@H]2CCCN(C)C2)s1 ZINC000159451481 295377022 /nfs/dbraw/zinc/37/70/22/295377022.db2.gz DUMRDKYZPNKQMZ-TZMCWYRMSA-N 0 3 309.479 2.629 20 70 DFIDHN COc1cc(C)cc(CNC(=O)N[C@H](C)CN2CCCCC2)c1 ZINC000159612310 295378836 /nfs/dbraw/zinc/37/88/36/295378836.db2.gz DVJUSENBVZKSKX-OAHLLOKOSA-N 0 3 319.449 2.677 20 70 DFIDHN O=c1[nH]c2ccccc2cc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159676655 295380267 /nfs/dbraw/zinc/38/02/67/295380267.db2.gz LDHZOPISOQHOER-OIISXLGYSA-N 0 3 310.397 2.988 20 70 DFIDHN CCC(CC)(CNCc1cccc(C(=O)OC)c1)C(=O)OC ZINC000159674338 295380370 /nfs/dbraw/zinc/38/03/70/295380370.db2.gz BNKXGPAVHXPMDO-UHFFFAOYSA-N 0 3 307.390 2.542 20 70 DFIDHN CC(C)N(CCc1nccs1)Cc1cccc(C(N)=O)c1 ZINC000159810218 295382191 /nfs/dbraw/zinc/38/21/91/295382191.db2.gz UTBGFEYYOMWGQT-UHFFFAOYSA-N 0 3 303.431 2.695 20 70 DFIDHN CN(C)CCN(Cc1ccco1)c1nc(C(C)(C)C)ns1 ZINC000159964509 295384480 /nfs/dbraw/zinc/38/44/80/295384480.db2.gz YJENNGLOLWWMGT-UHFFFAOYSA-N 0 3 308.451 2.997 20 70 DFIDHN C[C@@H](CN1CCCCC1)NC(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000160109292 295386627 /nfs/dbraw/zinc/38/66/27/295386627.db2.gz FDIMEFNTVQUZSU-ZDUSSCGKSA-N 0 3 317.408 2.840 20 70 DFIDHN Cc1ncccc1CNc1ccc(OC2CCN(C)CC2)nc1 ZINC000160129235 295386948 /nfs/dbraw/zinc/38/69/48/295386948.db2.gz RKYQUWSNDYSZIF-UHFFFAOYSA-N 0 3 312.417 2.870 20 70 DFIDHN C[C@H]1CCCCN1CCNC(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000160253622 295388938 /nfs/dbraw/zinc/38/89/38/295388938.db2.gz BBIFWDJEJBOFGP-ZDUSSCGKSA-N 0 3 317.408 2.840 20 70 DFIDHN CC(C)n1cccc1C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000161073175 295398089 /nfs/dbraw/zinc/39/80/89/295398089.db2.gz OMEXZEZIMWUJIA-QGZVFWFLSA-N 0 3 313.445 2.972 20 70 DFIDHN CN(C(=O)C[C@@H]1CNCCO1)c1ccc(-c2ccccc2)cc1 ZINC000161082970 295398756 /nfs/dbraw/zinc/39/87/56/295398756.db2.gz DKFKOAUSDZAPHG-GOSISDBHSA-N 0 3 310.397 2.695 20 70 DFIDHN CCO[C@@H]1C[C@@H](N[C@@H]2CCN(c3ccccc3)C2=O)C1(C)C ZINC000161289470 295401431 /nfs/dbraw/zinc/40/14/31/295401431.db2.gz YWOOSMXCCAFAJP-BZUAXINKSA-N 0 3 302.418 2.585 20 70 DFIDHN CCOC[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000160196357 520170646 /nfs/dbraw/zinc/17/06/46/520170646.db2.gz CTRDQOBFGMRFGO-ZDUSSCGKSA-N 0 3 309.406 2.658 20 70 DFIDHN CCOC[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000160196357 520170650 /nfs/dbraw/zinc/17/06/50/520170650.db2.gz CTRDQOBFGMRFGO-ZDUSSCGKSA-N 0 3 309.406 2.658 20 70 DFIDHN NC1(C(=O)NCCc2cc3ccccc3o2)Cc2ccccc2C1 ZINC000160486216 527127886 /nfs/dbraw/zinc/12/78/86/527127886.db2.gz YXJTUYOSHMUZKG-UHFFFAOYSA-N 0 3 320.392 2.588 20 70 DFIDHN Cc1nc2n(n1)C[C@H](N[C@H](C)c1cc(F)c(F)c(F)c1)CC2 ZINC000160426023 282127080 /nfs/dbraw/zinc/12/70/80/282127080.db2.gz LQVIUMHLGLIBPK-LDYMZIIASA-N 0 3 310.323 2.669 20 70 DFIDHN CCN1CCCN(C(=O)NCCc2cccc(Cl)c2)CC1 ZINC000159542739 186125979 /nfs/dbraw/zinc/12/59/79/186125979.db2.gz RJSVEYIAUXJYIO-UHFFFAOYSA-N 0 3 309.841 2.620 20 70 DFIDHN CCC(CC)(CNCC(=O)Nc1ccc(C)cc1)C(=O)OC ZINC000159659875 186133437 /nfs/dbraw/zinc/13/34/37/186133437.db2.gz SBDLOLBAHDQTAB-UHFFFAOYSA-N 0 3 306.406 2.503 20 70 DFIDHN COc1ccc(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c(OC)c1 ZINC000159656104 186133759 /nfs/dbraw/zinc/13/37/59/186133759.db2.gz IQTXQCLJOSGGPD-XIRDDKMYSA-N 0 3 303.402 2.751 20 70 DFIDHN CCN1CCCN(C(=O)N[C@H](C)Cc2ccccc2C)CC1 ZINC000159699636 186136200 /nfs/dbraw/zinc/13/62/00/186136200.db2.gz UDROSZWSSIILQA-MRXNPFEDSA-N 0 3 303.450 2.663 20 70 DFIDHN COc1ccc(-c2nc3c(s2)[C@@H](NCCO)CCC3)cc1 ZINC000159702025 186136269 /nfs/dbraw/zinc/13/62/69/186136269.db2.gz FZRBGXWWCZSHHS-ZDUSSCGKSA-N 0 3 304.415 2.778 20 70 DFIDHN COc1ccc([C@@H]2CCCN2CCn2ccnc2)cc1OC ZINC000159704320 186136477 /nfs/dbraw/zinc/13/64/77/186136477.db2.gz DCNLNEKGMVYXKC-HNNXBMFYSA-N 0 3 301.390 2.737 20 70 DFIDHN C#CCOc1ccc(C(=O)NCc2cccc(CN(C)C)c2)cc1 ZINC000159714179 186137032 /nfs/dbraw/zinc/13/70/32/186137032.db2.gz LWJTVWRTKGOWDN-UHFFFAOYSA-N 0 3 322.408 2.690 20 70 DFIDHN Cc1ccc(C)c(NC(=O)[C@@H](C)N(C)C[C@@H]2CCC[C@@H]2O)c1 ZINC000159719153 186137345 /nfs/dbraw/zinc/13/73/45/186137345.db2.gz OXNQJWNLBVLIKL-VYDXJSESSA-N 0 3 304.434 2.723 20 70 DFIDHN C[C@H](Cc1ccccc1F)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000159494768 398964915 /nfs/dbraw/zinc/96/49/15/398964915.db2.gz KCCBBIYFNSMMES-CJNGLKHVSA-N 0 3 304.409 2.605 20 70 DFIDHN CCS(=O)(=O)c1ccc([C@@H](C)NC[C@H](O)C(C)(C)C)cc1 ZINC000159500055 398965116 /nfs/dbraw/zinc/96/51/16/398965116.db2.gz NDMSHMLEBZIISU-DOMZBBRYSA-N 0 3 313.463 2.538 20 70 DFIDHN O=C(N[C@@H]1CCN(CC2CC2)C1)NC1(c2ccccc2F)CC1 ZINC000160625992 398971951 /nfs/dbraw/zinc/97/19/51/398971951.db2.gz DOMOLJKOHJIOTD-CQSZACIVSA-N 0 3 317.408 2.598 20 70 DFIDHN Fc1cc(F)cc(CNC[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC000160277050 197397955 /nfs/dbraw/zinc/39/79/55/197397955.db2.gz NIWBQVNPYCWDIN-JTQLQIEISA-N 0 3 308.294 2.939 20 70 DFIDHN CCc1nn(C)c(Cl)c1C(=O)Nc1cccc(CN(C)C)c1 ZINC000160111343 197386320 /nfs/dbraw/zinc/38/63/20/197386320.db2.gz PAXSMTURIYPTIB-UHFFFAOYSA-N 0 3 320.824 2.950 20 70 DFIDHN CCN(CC)[C@@H](CNC(=O)[C@@H]1CCCCO1)c1ccccc1 ZINC000159985681 197377808 /nfs/dbraw/zinc/37/78/08/197377808.db2.gz ZGXKZQSYNNGWIW-IRXDYDNUSA-N 0 3 304.434 2.755 20 70 DFIDHN CCn1nccc1CNC[C@@H](c1ccco1)N1CCCCC1 ZINC000159882219 197370797 /nfs/dbraw/zinc/37/07/97/197370797.db2.gz FURTXFJPACXQMG-INIZCTEOSA-N 0 3 302.422 2.813 20 70 DFIDHN CC[C@H](NC[C@@H](C)N1CCc2sccc2C1)c1cnn(C)c1 ZINC000159848643 197367986 /nfs/dbraw/zinc/36/79/86/197367986.db2.gz TYVMOXRJUXZAIT-CJNGLKHVSA-N 0 3 318.490 2.969 20 70 DFIDHN CCN1CCCN(C(=O)NC2CC(c3ccccc3)C2)CC1 ZINC000159815414 197366259 /nfs/dbraw/zinc/36/62/59/197366259.db2.gz HZAQWKQWZWXVOW-UHFFFAOYSA-N 0 3 301.434 2.670 20 70 DFIDHN CC[C@@H](NC[C@@H](C)N1CCc2ccccc2C1)c1cnn(C)c1 ZINC000159788752 197364552 /nfs/dbraw/zinc/36/45/52/197364552.db2.gz UCXCVOQJXVSMPN-DNVCBOLYSA-N 0 3 312.461 2.908 20 70 DFIDHN CC[C@H](NC[C@@H](C)N1CCc2ccccc2C1)c1cnn(C)c1 ZINC000159788609 197364321 /nfs/dbraw/zinc/36/43/21/197364321.db2.gz UCXCVOQJXVSMPN-BEFAXECRSA-N 0 3 312.461 2.908 20 70 DFIDHN CCN1CCCN(C(=O)N[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000159505751 197358662 /nfs/dbraw/zinc/35/86/62/197358662.db2.gz UOKHWSTVOUPLQM-GFCCVEGCSA-N 0 3 311.376 2.763 20 70 DFIDHN COc1ccc(OC)c(CN[C@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159488931 197357846 /nfs/dbraw/zinc/35/78/46/197357846.db2.gz VIVGVJRZWRQZIF-PVAVHDDUSA-N 0 3 303.402 2.751 20 70 DFIDHN COc1cccc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1OC ZINC000159510630 197360284 /nfs/dbraw/zinc/36/02/84/197360284.db2.gz ZGRAKBHGNLHHRN-XKQJLSEDSA-N 0 3 303.402 2.751 20 70 DFIDHN CSCC[C@@H](N)C(=O)NCCOc1ccccc1C(C)(C)C ZINC000159512680 197359669 /nfs/dbraw/zinc/35/96/69/197359669.db2.gz BLTZKWYJJLQGDR-CQSZACIVSA-N 0 3 324.490 2.560 20 70 DFIDHN O=C(CN1CC[C@@H]2CCCC[C@@H]21)N1CCc2sccc2C1 ZINC000159585139 542718809 /nfs/dbraw/zinc/71/88/09/542718809.db2.gz GMKCDSWRKPFGGS-ZFWWWQNUSA-N 0 3 304.459 2.897 20 70 DFIDHN Cc1ccccc1CN1CCN(C[C@@H](O)Cc2ccccc2)CC1 ZINC000218751314 146000251 /nfs/dbraw/zinc/00/02/51/146000251.db2.gz YMYIHFBFXPHHJF-NRFANRHFSA-N 0 3 324.468 2.716 20 70 DFIDHN CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@@H]1CCCCN1 ZINC000159454128 286018086 /nfs/dbraw/zinc/01/80/86/286018086.db2.gz JBLDMXWNOOBQAF-UGFHNGPFSA-N 0 3 310.825 2.674 20 70 DFIDHN CCc1nc(CN[C@@H](C[C@H]2CCOC2)c2ccccc2)n[nH]1 ZINC000160486763 425983762 /nfs/dbraw/zinc/98/37/62/425983762.db2.gz GJPBVNFYOPOROD-HIFRSBDPSA-N 0 3 300.406 2.625 20 70 DFIDHN CCc1nc(CN[C@H](C)c2ccc(-n3ccnc3C)cc2)n[nH]1 ZINC000160490350 425984449 /nfs/dbraw/zinc/98/44/49/425984449.db2.gz JPGHGAIUDZDLGZ-GFCCVEGCSA-N 0 3 310.405 2.712 20 70 DFIDHN COc1ccc(OC)c(CN2CCC(c3ccnn3C)CC2)c1 ZINC000160520456 425985355 /nfs/dbraw/zinc/98/53/55/425985355.db2.gz PQTODBCYXBCDLM-UHFFFAOYSA-N 0 3 315.417 2.817 20 70 DFIDHN C[C@H](C(=O)NC1CCCC1)N1CCN(CCC2CCCC2)CC1 ZINC000160577344 425988366 /nfs/dbraw/zinc/98/83/66/425988366.db2.gz JFACCGZSXPNNEK-MRXNPFEDSA-N 0 3 321.509 2.632 20 70 DFIDHN COc1ccc([C@@H](C)NC[C@H]2CCCC[C@@H]2O)cc1NC(C)=O ZINC000160591942 425988437 /nfs/dbraw/zinc/98/84/37/425988437.db2.gz OFNIFZVBCSYNIE-VMGRFDJRSA-N 0 3 320.433 2.855 20 70 DFIDHN C[C@@H]1CC[C@@H](NCC(=O)NCC(F)(F)F)c2ccccc21 ZINC000160593520 425988657 /nfs/dbraw/zinc/98/86/57/425988657.db2.gz AWQKUSZTLRHCTI-ZWNOBZJWSA-N 0 3 300.324 2.893 20 70 DFIDHN CCOCCC1(C(=O)NCc2ccccc2CN(C)C)CCC1 ZINC000160685082 425992223 /nfs/dbraw/zinc/99/22/23/425992223.db2.gz QBANIBBGMVSZPQ-UHFFFAOYSA-N 0 3 318.461 2.961 20 70 DFIDHN Cc1c(CNCCOc2cccc(Br)c2)cnn1C ZINC000160707448 425993014 /nfs/dbraw/zinc/99/30/14/425993014.db2.gz HINPUCZKBXEYOH-UHFFFAOYSA-N 0 3 324.222 2.660 20 70 DFIDHN CCCOc1cccc(CC(=O)NC[C@@H]2CCCN2CC)c1 ZINC000160699432 425993226 /nfs/dbraw/zinc/99/32/26/425993226.db2.gz DVVQJAHYUJSQNH-INIZCTEOSA-N 0 3 304.434 2.618 20 70 DFIDHN CCCCNC(=O)[C@H](C)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000160790588 425996562 /nfs/dbraw/zinc/99/65/62/425996562.db2.gz NUJOISNCBAYQCO-GJZGRUSLSA-N 0 3 314.433 2.828 20 70 DFIDHN Cc1c(C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)cnn1CC(C)C ZINC000160939213 426003228 /nfs/dbraw/zinc/00/32/28/426003228.db2.gz DSMIEFSESUHQIG-GJZGRUSLSA-N 0 3 320.481 2.698 20 70 DFIDHN O=C(NC1CCN(C2CC2)CC1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000159369299 425959453 /nfs/dbraw/zinc/95/94/53/425959453.db2.gz IBZYWUXTJHAJRP-GDBMZVCRSA-N 0 3 320.383 2.811 20 70 DFIDHN CCn1cc(CNC(C)(C)CN(C)Cc2ccccc2)cn1 ZINC000159389771 425959568 /nfs/dbraw/zinc/95/95/68/425959568.db2.gz GBYRPCPBWZIBSR-UHFFFAOYSA-N 0 3 300.450 2.903 20 70 DFIDHN C[C@@H]1CN(CCOc2ccc(Br)cc2)CC[C@@H]1O ZINC000159441146 425960447 /nfs/dbraw/zinc/96/04/47/425960447.db2.gz VOFPBFXPSORQKD-RISCZKNCSA-N 0 3 314.223 2.531 20 70 DFIDHN Cc1ccc(NC(=O)C2(N)CCCCC2)cc1C(=O)NC(C)C ZINC000159499963 425962323 /nfs/dbraw/zinc/96/23/23/425962323.db2.gz HROBTYNXZXNAQQ-UHFFFAOYSA-N 0 3 317.433 2.733 20 70 DFIDHN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1ccc(OC(F)F)c(F)c1 ZINC000159525525 425962345 /nfs/dbraw/zinc/96/23/45/425962345.db2.gz UMLCRYDNYLJFCB-GXSJLCMTSA-N 0 3 316.323 2.513 20 70 DFIDHN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1cnc(-c2ccsc2)s1 ZINC000159595575 425962815 /nfs/dbraw/zinc/96/28/15/425962815.db2.gz ZDDDSKHOCMXLEW-GHMZBOCLSA-N 0 3 321.471 2.957 20 70 DFIDHN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1cnc(-c2ccsc2)s1 ZINC000159595297 425963171 /nfs/dbraw/zinc/96/31/71/425963171.db2.gz ZDDDSKHOCMXLEW-MNOVXSKESA-N 0 3 321.471 2.957 20 70 DFIDHN NC(=O)CC1CCN(Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000159826093 425968661 /nfs/dbraw/zinc/96/86/61/425968661.db2.gz QZHVKXSMZZDGFR-UHFFFAOYSA-N 0 3 316.323 2.673 20 70 DFIDHN NC1(C(=O)N[C@@H](Cc2ccccc2)C2CC2)Cc2ccccc2C1 ZINC000159821017 425968941 /nfs/dbraw/zinc/96/89/41/425968941.db2.gz ZQWLEHIWGJGQSW-IBGZPJMESA-N 0 3 320.436 2.620 20 70 DFIDHN CCN1CCCN(C(=O)NCCCOc2ccccc2C)CC1 ZINC000159824522 425969307 /nfs/dbraw/zinc/96/93/07/425969307.db2.gz IYTQEEZRWBNHQT-UHFFFAOYSA-N 0 3 319.449 2.501 20 70 DFIDHN COc1ccc(C#N)cc1CN1CCC(Cc2nccn2C)CC1 ZINC000159968292 425972098 /nfs/dbraw/zinc/97/20/98/425972098.db2.gz LHBFZPLHYYSJPI-UHFFFAOYSA-N 0 3 324.428 2.755 20 70 DFIDHN CC(C)CCn1ccc(NC(=O)N[C@H]2CN(C(C)C)C[C@H]2C)n1 ZINC000160325122 425979423 /nfs/dbraw/zinc/97/94/23/425979423.db2.gz ILRVNKSGEZQUIM-CABCVRRESA-N 0 3 321.469 2.779 20 70 DFIDHN C[C@@H]1C[C@@H](NC(=O)NC2CCCC2)CN1Cc1ccccc1 ZINC000161432077 426024501 /nfs/dbraw/zinc/02/45/01/426024501.db2.gz WVSGTYWPQBNKBI-RHSMWYFYSA-N 0 3 301.434 2.891 20 70 DFIDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2c[nH]nc2-c2ccccc2)C1 ZINC000161152031 426011575 /nfs/dbraw/zinc/01/15/75/426011575.db2.gz AFNGBKLDFCSEDR-CJNGLKHVSA-N 0 3 312.417 2.535 20 70 DFIDHN CC[C@H](C)NC(=O)c1cccc(CN[C@@H](COC)C2CC2)c1 ZINC000161150639 426011699 /nfs/dbraw/zinc/01/16/99/426011699.db2.gz VUJWQHUZPYBVGX-GUYCJALGSA-N 0 3 304.434 2.730 20 70 DFIDHN C=CCN1CCC(NC(=O)c2cc3ccccc3nc2C)CC1 ZINC000216943273 426562888 /nfs/dbraw/zinc/56/28/88/426562888.db2.gz JEVGXTKZOHEWAM-UHFFFAOYSA-N 0 3 309.413 2.923 20 70 DFIDHN CC[C@@H](N[C@@H]1CCc2nc(C)nn2C1)c1cc(F)ccc1F ZINC000160387533 276440166 /nfs/dbraw/zinc/44/01/66/276440166.db2.gz HPKNLQAZHJKKQT-IUODEOHRSA-N 0 3 306.360 2.920 20 70 DFIDHN C[C@H](C(=O)N[C@@H]1CCOC2(CCCC2)C1)N1CCCCCC1 ZINC000159889138 289364799 /nfs/dbraw/zinc/36/47/99/289364799.db2.gz ZRDFYBYHNYJTIW-HZPDHXFCSA-N 0 3 308.466 2.859 20 70 DFIDHN Cc1ccc(C[C@@H](C)N(C)C(=O)NC[C@@H]2CCCN(C)C2)cc1 ZINC000159445202 295377055 /nfs/dbraw/zinc/37/70/55/295377055.db2.gz VFFMHXUKLOXPCH-AEFFLSMTSA-N 0 3 317.477 2.909 20 70 DFIDHN Cc1noc(C)c1[C@@H](C)CNC(=O)N[C@@H](CC(C)C)CN(C)C ZINC000159640229 295379536 /nfs/dbraw/zinc/37/95/36/295379536.db2.gz OVFWEFKOILGTPG-WFASDCNBSA-N 0 3 324.469 2.670 20 70 DFIDHN CC(C)OC(=O)c1ccc(CN(C)C[C@H]2CCC[C@@H]2O)cc1 ZINC000159801389 295381534 /nfs/dbraw/zinc/38/15/34/295381534.db2.gz WHERSCNZOACCNR-SJORKVTESA-N 0 3 305.418 2.845 20 70 DFIDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCc3cccc(F)c3C2)C1 ZINC000159925027 295384205 /nfs/dbraw/zinc/38/42/05/295384205.db2.gz YTAZFHCEAQQIPI-DYVFJYSZSA-N 0 3 319.424 2.622 20 70 DFIDHN CSC[C@@H](CCO)N[C@H](C)c1ccc2c(c1)OCCCO2 ZINC000160251776 295388992 /nfs/dbraw/zinc/38/89/92/295388992.db2.gz CFUKYGHRNUZBNQ-TZMCWYRMSA-N 0 3 311.447 2.613 20 70 DFIDHN CC[C@@H](c1ccccc1)S(=O)(=O)C(C)C(=O)NCC(C)C ZINC000160436980 295391287 /nfs/dbraw/zinc/39/12/87/295391287.db2.gz WIQLEZYMYDDTOB-HIFRSBDPSA-N 0 3 311.447 2.713 20 70 DFIDHN CC1CCN(CCNC(=O)c2cc(F)cc3cccnc32)CC1 ZINC000160461966 295391484 /nfs/dbraw/zinc/39/14/84/295391484.db2.gz YRYMFQZHDZYQKV-UHFFFAOYSA-N 0 3 315.392 2.836 20 70 DFIDHN C[C@H](NCC(=O)NCC(F)(F)F)c1cc2c(s1)CCCC2 ZINC000160557464 295392941 /nfs/dbraw/zinc/39/29/41/295392941.db2.gz CAJKWBAOPGOMDL-VIFPVBQESA-N 0 3 320.380 2.956 20 70 DFIDHN CN(C)Cc1ccc(C(=O)NCCc2c(F)cccc2F)cc1 ZINC000160567756 295393039 /nfs/dbraw/zinc/39/30/39/295393039.db2.gz LXZQHSKIOIAMNY-UHFFFAOYSA-N 0 3 318.367 2.999 20 70 DFIDHN O=C(NC1CCN(C2CC2)CC1)c1nc2ccccc2s1 ZINC000160744528 295394737 /nfs/dbraw/zinc/39/47/37/295394737.db2.gz WZADEMGSSIIJOX-UHFFFAOYSA-N 0 3 301.415 2.653 20 70 DFIDHN Cn1c(CN2CCC(c3ccn[nH]3)CC2)nnc1-c1ccccc1 ZINC000160901351 295396334 /nfs/dbraw/zinc/39/63/34/295396334.db2.gz YILXSDVUXVLGCP-UHFFFAOYSA-N 0 3 322.416 2.585 20 70 DFIDHN CC[C@H](N)C(=O)Nc1cccc(CSC2CCOCC2)c1 ZINC000161000312 295397223 /nfs/dbraw/zinc/39/72/23/295397223.db2.gz VTBVBCVUHSCRFP-HNNXBMFYSA-N 0 3 308.447 2.775 20 70 DFIDHN CCC[C@H](C(=O)N1CCC(Oc2ccc(F)cc2)CC1)N(C)C ZINC000159917816 520971099 /nfs/dbraw/zinc/97/10/99/520971099.db2.gz ONIHFDGORWHKSY-QGZVFWFLSA-N 0 3 322.424 2.926 20 70 DFIDHN Cc1nc2n(n1)C[C@@H](N[C@@H]1CCc3cc(Cl)ccc31)CC2 ZINC000160531365 282118133 /nfs/dbraw/zinc/11/81/33/282118133.db2.gz RGZJLRSLSCLECV-DZGCQCFKSA-N 0 3 302.809 2.832 20 70 DFIDHN COc1ccc(CN2CC[C@@H](CN3CCOCC3)C2)cc1Cl ZINC000159587901 186129047 /nfs/dbraw/zinc/12/90/47/186129047.db2.gz IIAWZCCGKRZIFE-HNNXBMFYSA-N 0 3 324.852 2.503 20 70 DFIDHN CCC(CC)(CNCC(=O)Nc1cccc(C)c1C)C(=O)OC ZINC000159676795 186134877 /nfs/dbraw/zinc/13/48/77/186134877.db2.gz UZBKEADHJTXMHA-UHFFFAOYSA-N 0 3 320.433 2.811 20 70 DFIDHN CCC(CC)(CNCc1ncc(C)c(OC)c1C)C(=O)OC ZINC000159681249 186135056 /nfs/dbraw/zinc/13/50/56/186135056.db2.gz CQTJBYGZBDMNLW-UHFFFAOYSA-N 0 3 308.422 2.776 20 70 DFIDHN CCc1ccccc1NC(=O)CNCC(CC)(CC)C(=O)OC ZINC000159678471 186135350 /nfs/dbraw/zinc/13/53/50/186135350.db2.gz BDINUIJJQGTBDU-UHFFFAOYSA-N 0 3 320.433 2.757 20 70 DFIDHN CC(C)N(CCN(C)C)C(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000159752691 186139970 /nfs/dbraw/zinc/13/99/70/186139970.db2.gz BWRBTNHKRQLRKJ-KSZLIROESA-N 0 3 315.461 2.554 20 70 DFIDHN Cc1ccc([C@@H](C)CNC(=O)NC[C@H]2CCCN(C)C2)cc1 ZINC000159448005 398964571 /nfs/dbraw/zinc/96/45/71/398964571.db2.gz BFSLANRIQJPRIL-JKSUJKDBSA-N 0 3 303.450 2.740 20 70 DFIDHN CCS(=O)(=O)c1ccc([C@@H](C)NC[C@@H](O)C(C)(C)C)cc1 ZINC000159500275 398964771 /nfs/dbraw/zinc/96/47/71/398964771.db2.gz NDMSHMLEBZIISU-IUODEOHRSA-N 0 3 313.463 2.538 20 70 DFIDHN Cc1nn(C)cc1CN[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000160711860 197433645 /nfs/dbraw/zinc/43/36/45/197433645.db2.gz BRZGSQLKGWEISJ-SFHVURJKSA-N 0 3 313.401 2.741 20 70 DFIDHN Cc1cncc(/C=C/C(=O)N[C@H](CN(C)C)c2ccccc2)c1 ZINC000160259040 197395409 /nfs/dbraw/zinc/39/54/09/197395409.db2.gz FWDCLZOMDFAFIH-QZEKMECESA-N 0 3 309.413 2.822 20 70 DFIDHN CCN(CC)[C@H](CNC(=O)[C@@H]1CCCCO1)c1ccccc1 ZINC000159985795 197377604 /nfs/dbraw/zinc/37/76/04/197377604.db2.gz ZGXKZQSYNNGWIW-SJORKVTESA-N 0 3 304.434 2.755 20 70 DFIDHN CCn1nccc1CNC[C@H](c1ccco1)N1CCCCC1 ZINC000159882352 197370663 /nfs/dbraw/zinc/37/06/63/197370663.db2.gz FURTXFJPACXQMG-MRXNPFEDSA-N 0 3 302.422 2.813 20 70 DFIDHN CC(C)N(CCO)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159423623 197352546 /nfs/dbraw/zinc/35/25/46/197352546.db2.gz ZAKGGYGCIBXEGJ-UHFFFAOYSA-N 0 3 317.183 2.560 20 70 DFIDHN CCc1nc(CN[C@](C)(CC)COc2ncccc2Cl)n[nH]1 ZINC000159413644 197351336 /nfs/dbraw/zinc/35/13/36/197351336.db2.gz LIFMKUGUSZXSGV-OAHLLOKOSA-N 0 3 323.828 2.753 20 70 DFIDHN CC[C@H](C(=O)NCCc1c(Cl)cccc1Cl)N(C)C ZINC000161192743 542727902 /nfs/dbraw/zinc/72/79/02/542727902.db2.gz CRUPFLISGGKOTP-CYBMUJFWSA-N 0 3 303.233 2.992 20 70 DFIDHN CSCC[C@H](N)C(=O)N1CCC(c2ccc(F)cc2)CC1 ZINC000159569772 145220054 /nfs/dbraw/zinc/22/00/54/145220054.db2.gz PSGVJBVPAYIUHX-HNNXBMFYSA-N 0 3 310.438 2.612 20 70 DFIDHN COC(=O)c1ccc(CN2CCC(c3cnn(C)c3)CC2)cc1 ZINC000160441393 145220982 /nfs/dbraw/zinc/22/09/82/145220982.db2.gz LPVVZHRYULZIFL-UHFFFAOYSA-N 0 3 313.401 2.586 20 70 DFIDHN CCOC[C@H](C)NCc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000160320479 286161741 /nfs/dbraw/zinc/16/17/41/286161741.db2.gz NCRBLQCNTSRSIQ-YESZJQIVSA-N 0 3 320.477 2.810 20 70 DFIDHN CC[C@@H](CC(=O)NC[C@H](O)CN1CCCCC1)c1ccccc1 ZINC000160365299 425980906 /nfs/dbraw/zinc/98/09/06/425980906.db2.gz UNIPZXKZKJUATM-WMZOPIPTSA-N 0 3 318.461 2.533 20 70 DFIDHN NC1(C(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)CCCCC1 ZINC000160398584 425982261 /nfs/dbraw/zinc/98/22/61/425982261.db2.gz RDPSKDSDLXYPEM-HNNXBMFYSA-N 0 3 304.409 2.878 20 70 DFIDHN CC(C)CN1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000160570850 425988033 /nfs/dbraw/zinc/98/80/33/425988033.db2.gz IWYLENNQETVWEN-LLVKDONJSA-N 0 3 311.407 2.507 20 70 DFIDHN CCCCOC(=O)CCN1CCC(c2cnn(CC)c2)CC1 ZINC000160637750 425990702 /nfs/dbraw/zinc/99/07/02/425990702.db2.gz CFVNRDOEMSRYGW-UHFFFAOYSA-N 0 3 307.438 2.816 20 70 DFIDHN CCCOc1cccc(CC(=O)NC[C@H]2CCCN2CC)c1 ZINC000160699540 425993041 /nfs/dbraw/zinc/99/30/41/425993041.db2.gz DVVQJAHYUJSQNH-MRXNPFEDSA-N 0 3 304.434 2.618 20 70 DFIDHN Cc1noc(C)c1[C@H](C)CC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 ZINC000160772353 425995169 /nfs/dbraw/zinc/99/51/69/425995169.db2.gz CGLRNHUXXMAJIP-WQVCFCJDSA-N 0 3 319.449 2.728 20 70 DFIDHN CC[C@H](NC[C@H]1CN(C2CC2)CCO1)c1ccc(F)cc1F ZINC000160912553 426001360 /nfs/dbraw/zinc/00/13/60/426001360.db2.gz AWZISMKUPUFSRQ-YOEHRIQHSA-N 0 3 310.388 2.869 20 70 DFIDHN c1nc2ccccn2c1CN1CCN([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000160956507 426002922 /nfs/dbraw/zinc/00/29/22/426002922.db2.gz NNHXLVOZHBIWTE-LZLYRXPVSA-N 0 3 310.445 2.641 20 70 DFIDHN CCN1CCCN(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC000160012607 425972757 /nfs/dbraw/zinc/97/27/57/425972757.db2.gz JOIFLFOUBQTJDK-MRXNPFEDSA-N 0 3 323.481 2.606 20 70 DFIDHN CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)Nc1ccc(Cl)cc1 ZINC000160012221 425973041 /nfs/dbraw/zinc/97/30/41/425973041.db2.gz YCGRHHOIGUWCCK-ZENOOKHLSA-N 0 3 308.809 2.811 20 70 DFIDHN Cn1ncc2c1CCC[C@@H]2NCCOc1ccc(F)cc1F ZINC000160096739 425973767 /nfs/dbraw/zinc/97/37/67/425973767.db2.gz SZCHCNQYLWRNKV-AWEZNQCLSA-N 0 3 307.344 2.744 20 70 DFIDHN Cn1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1 ZINC000160181536 425976821 /nfs/dbraw/zinc/97/68/21/425976821.db2.gz AOUIWYXVYDJJAW-QGZVFWFLSA-N 0 3 300.402 2.912 20 70 DFIDHN Cn1ccc(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)c1 ZINC000160181536 425976823 /nfs/dbraw/zinc/97/68/23/425976823.db2.gz AOUIWYXVYDJJAW-QGZVFWFLSA-N 0 3 300.402 2.912 20 70 DFIDHN CN(C)Cc1ccc(CNC(=O)N[C@@H]2CCOC(C)(C)C2)cc1 ZINC000161463537 426025517 /nfs/dbraw/zinc/02/55/17/426025517.db2.gz MVQFNBQPWJXPSO-MRXNPFEDSA-N 0 3 319.449 2.505 20 70 DFIDHN CC[C@@H](C)NC(=O)c1cccc(CN[C@@H](COC)C(C)C)c1 ZINC000161113962 426008695 /nfs/dbraw/zinc/00/86/95/426008695.db2.gz YBXZDCPEKMQBLT-PBHICJAKSA-N 0 3 306.450 2.976 20 70 DFIDHN Cc1cc(F)ccc1[C@H](O)CN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161133846 426010377 /nfs/dbraw/zinc/01/03/77/426010377.db2.gz JHQRYIOKMHERFR-ZTFGCOKTSA-N 0 3 307.409 2.795 20 70 DFIDHN CCCN(CCO)Cc1cccc(OCC)c1OC(F)F ZINC000161200952 426012468 /nfs/dbraw/zinc/01/24/68/426012468.db2.gz QFIPWGXDYZZGRL-UHFFFAOYSA-N 0 3 303.349 2.891 20 70 DFIDHN CC1(O)CCN(CCCc2nc(-c3cccs3)no2)CC1 ZINC000161190681 426013076 /nfs/dbraw/zinc/01/30/76/426013076.db2.gz CKJVLPAWZALMDB-UHFFFAOYSA-N 0 3 307.419 2.578 20 70 DFIDHN C=C(C)CNC(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1 ZINC000161260642 426016196 /nfs/dbraw/zinc/01/61/96/426016196.db2.gz ULQKYVDEODFGGS-QGZVFWFLSA-N 0 3 317.433 2.707 20 70 DFIDHN CC[C@@H](C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C)c1c(C)noc1C ZINC000161274580 426016561 /nfs/dbraw/zinc/01/65/61/426016561.db2.gz BDBKJVDUEPPZRE-NILFDRSVSA-N 0 3 307.438 2.630 20 70 DFIDHN CCC[C@@H](C(=O)N(C)Cc1cnn(-c2ccccc2)c1)N(C)C ZINC000161315815 426018567 /nfs/dbraw/zinc/01/85/67/426018567.db2.gz RTLNNRMPGIFOBK-KRWDZBQOSA-N 0 3 314.433 2.561 20 70 DFIDHN CCC[C@H](C(=O)NC[C@H](c1cccs1)N1CCCC1)N(C)C ZINC000161304212 426018696 /nfs/dbraw/zinc/01/86/96/426018696.db2.gz USSKNEKVXPADHA-HUUCEWRRSA-N 0 3 323.506 2.732 20 70 DFIDHN CCc1ccc([C@@H](CNC(=O)[C@H]2CCCCO2)N(C)C)cc1 ZINC000161395838 426022369 /nfs/dbraw/zinc/02/23/69/426022369.db2.gz QJPBJEBPDDIRLF-IAGOWNOFSA-N 0 3 304.434 2.537 20 70 DFIDHN CS[C@@H](CO)[C@@H](C)NCc1ccc(Br)c(F)c1 ZINC000217852094 426566421 /nfs/dbraw/zinc/56/64/21/426566421.db2.gz HKNCIAVATUCYMB-PELKAZGASA-N 0 3 322.243 2.790 20 70 DFIDHN COc1ccc([C@@H]2CCCN2C[C@@H](O)COC(C)C)c(OC)c1 ZINC000216900156 426561838 /nfs/dbraw/zinc/56/18/38/426561838.db2.gz KYXRJQAEVYABSC-PBHICJAKSA-N 0 3 323.433 2.627 20 70 DFIDHN C[C@@H](N[C@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccccn1 ZINC000159361443 295375806 /nfs/dbraw/zinc/37/58/06/295375806.db2.gz HIPDXQBKQFRQDG-AEFFLSMTSA-N 0 3 323.440 2.966 20 70 DFIDHN Cc1noc(C)c1[C@H](C)CNC(=O)N[C@H](C)CN1CCCCC1 ZINC000159613374 295379065 /nfs/dbraw/zinc/37/90/65/295379065.db2.gz OODZMNFODJBJCK-CHWSQXEVSA-N 0 3 322.453 2.569 20 70 DFIDHN C[C@@H](C(=O)N1CCN(C2CCCCC2)CC1)C1CCOCC1 ZINC000159817279 295382212 /nfs/dbraw/zinc/38/22/12/295382212.db2.gz AAXGPESFVJCMHM-OAHLLOKOSA-N 0 3 308.466 2.526 20 70 DFIDHN CC(C)N(CCc1nccs1)C[C@H](O)COC(C)(C)C ZINC000159865281 295382921 /nfs/dbraw/zinc/38/29/21/295382921.db2.gz CRXUNYRLWQVAPH-ZDUSSCGKSA-N 0 3 300.468 2.572 20 70 DFIDHN Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@H](C)CN1CCCCC1 ZINC000159896428 295383388 /nfs/dbraw/zinc/38/33/88/295383388.db2.gz FLNCRUQNRJWVSK-CHWSQXEVSA-N 0 3 306.454 2.511 20 70 DFIDHN CSC[C@H](CCO)N[C@H](C)c1ccc2c(c1)OCCCO2 ZINC000160251524 295388893 /nfs/dbraw/zinc/38/88/93/295388893.db2.gz CFUKYGHRNUZBNQ-OCCSQVGLSA-N 0 3 311.447 2.613 20 70 DFIDHN CC(C)C[C@H](CN(C)C)NC(=O)NC[C@]1(C)CCCS1 ZINC000160814346 295395687 /nfs/dbraw/zinc/39/56/87/295395687.db2.gz YQGKVNGSCLDEQY-HIFRSBDPSA-N 0 3 301.500 2.548 20 70 DFIDHN CCOC(=O)NCCCC(=O)Nc1cc(CN(C)C)ccc1C ZINC000160943235 295396948 /nfs/dbraw/zinc/39/69/48/295396948.db2.gz UQPLAHKXQDEMGI-UHFFFAOYSA-N 0 3 321.421 2.521 20 70 DFIDHN CCO[C@@H]1C[C@H](N[C@@H]2CCN(c3ccccc3F)C2=O)C1(C)C ZINC000161287578 295400742 /nfs/dbraw/zinc/40/07/42/295400742.db2.gz LTCIRSFIWHJVKF-VNQPRFMTSA-N 0 3 320.408 2.724 20 70 DFIDHN CCN1CCC[C@H]1CN(C)C(=O)Cc1c(Cl)cccc1OC ZINC000160484147 521650560 /nfs/dbraw/zinc/65/05/60/521650560.db2.gz BDVXOMDCCCJSOL-ZDUSSCGKSA-N 0 3 324.852 2.834 20 70 DFIDHN CSCCN(C)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000160410928 525490101 /nfs/dbraw/zinc/49/01/01/525490101.db2.gz LETPQNJPWVUDDY-HOCLYGCPSA-N 0 3 321.490 2.654 20 70 DFIDHN Cc1nc2n(n1)C[C@@H](N[C@@H]1CCCOc3ccc(F)cc31)CC2 ZINC000160362585 282118247 /nfs/dbraw/zinc/11/82/47/282118247.db2.gz UCWOSBFLZRBKCF-DZGCQCFKSA-N 0 3 316.380 2.544 20 70 DFIDHN C[C@@H](N[C@H]1CCCSC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000159582624 186128952 /nfs/dbraw/zinc/12/89/52/186128952.db2.gz WIGNMNOXPWUEAV-PWSUYJOCSA-N 0 3 317.451 2.775 20 70 DFIDHN CSCC[C@@H](N)C(=O)NCCCc1ccc(C(C)C)cc1 ZINC000159609154 186130933 /nfs/dbraw/zinc/13/09/33/186130933.db2.gz TWZMUCJYUNMFIC-MRXNPFEDSA-N 0 3 308.491 2.939 20 70 DFIDHN CCC(CC)(CNCC(=O)Nc1ccccc1C)C(=O)OC ZINC000159676347 186134513 /nfs/dbraw/zinc/13/45/13/186134513.db2.gz KFPZRWWSLWNQHI-UHFFFAOYSA-N 0 3 306.406 2.503 20 70 DFIDHN c1nn(Cc2ccccc2)cc1CN[C@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159682724 186135421 /nfs/dbraw/zinc/13/54/21/186135421.db2.gz RPADCYRHBCRQEH-QYZOEREBSA-N 0 3 323.440 2.979 20 70 DFIDHN C[C@H](NCC(=O)NCC(F)(F)F)C(C)(C)c1ccccc1 ZINC000160527119 299275809 /nfs/dbraw/zinc/27/58/09/299275809.db2.gz RHDOMKXXAOVCSS-NSHDSACASA-N 0 3 302.340 2.621 20 70 DFIDHN O=C(CN1CC[C@@H]2CCCC[C@@H]21)NCc1cc(F)cc(F)c1 ZINC000159723965 398966025 /nfs/dbraw/zinc/96/60/25/398966025.db2.gz ZHSNKGGHPFHTCU-BBRMVZONSA-N 0 3 308.372 2.846 20 70 DFIDHN CCCCN(C)CCNC(=O)Cc1csc(-c2ccoc2)n1 ZINC000159950953 398967801 /nfs/dbraw/zinc/96/78/01/398967801.db2.gz FHARIXIZACIODO-UHFFFAOYSA-N 0 3 321.446 2.794 20 70 DFIDHN CCC(CC)CNC(=O)N(CCN(C)C)Cc1ccccn1 ZINC000160542937 398970604 /nfs/dbraw/zinc/97/06/04/398970604.db2.gz FYOAITAIWBFTDV-UHFFFAOYSA-N 0 3 306.454 2.591 20 70 DFIDHN Cc1nc2cc(NC(=O)N[C@H]3CCN(CC4CC4)C3)ccc2o1 ZINC000160639253 398971385 /nfs/dbraw/zinc/97/13/85/398971385.db2.gz PZXNRJRGCUTGIO-AWEZNQCLSA-N 0 3 314.389 2.742 20 70 DFIDHN CC[C@@H](NCCSCC(=O)OC)c1ccc(F)cc1F ZINC000160892734 398972812 /nfs/dbraw/zinc/97/28/12/398972812.db2.gz TVMZCLFVLAJYCX-CYBMUJFWSA-N 0 3 303.374 2.912 20 70 DFIDHN C=CCN(Cc1ccccc1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000160761730 398973441 /nfs/dbraw/zinc/97/34/41/398973441.db2.gz MVKFYZSQOREWMV-SFHVURJKSA-N 0 3 313.445 2.869 20 70 DFIDHN CN(C)Cc1cccc(CNC(=O)NC[C@@]2(C)CCCS2)c1 ZINC000160639056 197427255 /nfs/dbraw/zinc/42/72/55/197427255.db2.gz CGOORYUDMLQOEM-QGZVFWFLSA-N 0 3 321.490 2.833 20 70 DFIDHN Cc1ccsc1[C@@H]1C[C@H]1C(=O)NC1CCN(C2CC2)CC1 ZINC000160242690 197394617 /nfs/dbraw/zinc/39/46/17/197394617.db2.gz GHZFQGIJLIWZBO-HUUCEWRRSA-N 0 3 304.459 2.903 20 70 DFIDHN CCN1CCC[C@H]1CN(C)C(=O)CCc1ccc(F)cc1F ZINC000160004636 197379333 /nfs/dbraw/zinc/37/93/33/197379333.db2.gz GWCJIYOWJRNKPX-HNNXBMFYSA-N 0 3 310.388 2.840 20 70 DFIDHN O[C@@H](c1ccc(Cl)cc1)C1CCN(CCn2ccnc2)CC1 ZINC000159814774 197366790 /nfs/dbraw/zinc/36/67/90/197366790.db2.gz DJYFQJUNJYCWFT-KRWDZBQOSA-N 0 3 319.836 2.982 20 70 DFIDHN CCS[C@@H]1CCCCN(C(=O)[C@@H](N)Cc2ccccc2)C1 ZINC000159764545 197362202 /nfs/dbraw/zinc/36/22/02/197362202.db2.gz DWPDSXJIPMUSQX-CVEARBPZSA-N 0 3 306.475 2.691 20 70 DFIDHN CN(C)C[C@H](NC(=O)NC[C@]1(C)CCCS1)c1ccccc1 ZINC000159442166 197353791 /nfs/dbraw/zinc/35/37/91/197353791.db2.gz PALQLQWVZPWOLY-RDJZCZTQSA-N 0 3 321.490 2.874 20 70 DFIDHN CC[C@@H](C(=O)Nc1cnn(CCN(C)C)c1)c1ccc(F)cc1 ZINC000159681261 542719471 /nfs/dbraw/zinc/71/94/71/542719471.db2.gz ILFGDYHWTGSXKK-MRXNPFEDSA-N 0 3 318.396 2.716 20 70 DFIDHN COc1cccc(CNC(=O)CN2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000160553991 542723619 /nfs/dbraw/zinc/72/36/19/542723619.db2.gz WVBYNEFAYAQWFY-RDJZCZTQSA-N 0 3 302.418 2.576 20 70 DFIDHN CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc([O-])c(F)c1 ZINC000160440094 145220631 /nfs/dbraw/zinc/22/06/31/145220631.db2.gz PYLHSIBSKKLRBB-AWEZNQCLSA-N 0 3 323.412 2.595 20 70 DFIDHN CC[C@H]1CCCC[N@H+]1CCNC(=O)NCc1ccc([O-])c(F)c1 ZINC000160440094 145220636 /nfs/dbraw/zinc/22/06/36/145220636.db2.gz PYLHSIBSKKLRBB-AWEZNQCLSA-N 0 3 323.412 2.595 20 70 DFIDHN CCn1ccnc1CNCCCN(C(=O)OC(C)(C)C)C1CC1 ZINC000217799788 268139632 /nfs/dbraw/zinc/13/96/32/268139632.db2.gz TWMYEHAORSZWTN-UHFFFAOYSA-N 0 3 322.453 2.782 20 70 DFIDHN C[C@H](NCc1ccn(C)n1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218178090 268139653 /nfs/dbraw/zinc/13/96/53/268139653.db2.gz UHUNFCVLXZSPMH-UONOGXRCSA-N 0 3 322.453 2.545 20 70 DFIDHN C[C@@H](NCc1nccn1C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218249435 268139814 /nfs/dbraw/zinc/13/98/14/268139814.db2.gz CQANBHTVVFFUGW-KGLIPLIRSA-N 0 3 322.453 2.545 20 70 DFIDHN CCn1ccnc1CNC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218238885 268139839 /nfs/dbraw/zinc/13/98/39/268139839.db2.gz DASJJROIQDTKSV-CQSZACIVSA-N 0 3 322.453 2.640 20 70 DFIDHN CCn1ccnc1CNCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000217802069 268139894 /nfs/dbraw/zinc/13/98/94/268139894.db2.gz MHBOMVZOEHXBIM-CQSZACIVSA-N 0 3 322.453 2.640 20 70 DFIDHN C[C@H](NCc1nccn1C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218249520 268139959 /nfs/dbraw/zinc/13/99/59/268139959.db2.gz CQANBHTVVFFUGW-KBPBESRZSA-N 0 3 322.453 2.545 20 70 DFIDHN CCc1ccc([C@@H](CNC(=O)C(C)(C)COC)N(C)C)cc1 ZINC000160376606 425980359 /nfs/dbraw/zinc/98/03/59/425980359.db2.gz WJNKESPNYWYJQI-MRXNPFEDSA-N 0 3 306.450 2.641 20 70 DFIDHN C[C@@H](NCc1ccccc1CN1CCOCC1)c1cncs1 ZINC000160449616 425983083 /nfs/dbraw/zinc/98/30/83/425983083.db2.gz CMWBMIHQEKEQNA-CQSZACIVSA-N 0 3 317.458 2.826 20 70 DFIDHN COC[C@H](N[C@H](CN1CCCC1=O)c1ccccc1)C(C)C ZINC000160753229 425994508 /nfs/dbraw/zinc/99/45/08/425994508.db2.gz WRPWOHSYQFZJBZ-SJORKVTESA-N 0 3 304.434 2.611 20 70 DFIDHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc(N(C)C)cc1F ZINC000160755361 425994521 /nfs/dbraw/zinc/99/45/21/425994521.db2.gz JVBPEDHGFYXBLV-ZIAGYGMSSA-N 0 3 321.440 2.742 20 70 DFIDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160750826 425994865 /nfs/dbraw/zinc/99/48/65/425994865.db2.gz IIJYDGHPNBNZJT-PBHICJAKSA-N 0 3 320.389 2.601 20 70 DFIDHN OCCCCCN1C[C@H](O)C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000161028408 426006014 /nfs/dbraw/zinc/00/60/14/426006014.db2.gz VTPJSSBZRURGAQ-CABCVRRESA-N 0 3 317.351 2.976 20 70 DFIDHN CC(C)C[C@@H](C)N(C)C(=O)CN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161012939 426006029 /nfs/dbraw/zinc/00/60/29/426006029.db2.gz PPRNDRHLDATUAB-JFIYKMOQSA-N 0 3 310.482 2.506 20 70 DFIDHN C[C@@]1(CNc2nccnc2C#N)CCCN1Cc1ccccc1 ZINC000160793729 425996696 /nfs/dbraw/zinc/99/66/96/425996696.db2.gz XKAYHDGZOWTXEL-SFHVURJKSA-N 0 3 307.401 2.815 20 70 DFIDHN CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160930154 426001178 /nfs/dbraw/zinc/00/11/78/426001178.db2.gz NWGYDUNJCDLYRP-YWTNHNAXSA-N 0 3 322.493 2.793 20 70 DFIDHN CC[C@@H](C)OCC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000160940640 426003152 /nfs/dbraw/zinc/00/31/52/426003152.db2.gz SQZPCCQKUQAWJR-CQSZACIVSA-N 0 3 310.413 2.531 20 70 DFIDHN CCC(CC)c1cc(C(=O)NC2CCN(C3CC3)CC2)on1 ZINC000159367446 425959439 /nfs/dbraw/zinc/95/94/39/425959439.db2.gz DBNHVDYVKBCISX-UHFFFAOYSA-N 0 3 305.422 2.935 20 70 DFIDHN CC(C)CN(C(=O)c1cccc2nc[nH]c21)C1CCN(C)CC1 ZINC000159522961 425961952 /nfs/dbraw/zinc/96/19/52/425961952.db2.gz OUTYHMBJNNOZNT-UHFFFAOYSA-N 0 3 314.433 2.755 20 70 DFIDHN CCN1CCCN(C(=O)N[C@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000159555127 425963653 /nfs/dbraw/zinc/96/36/53/425963653.db2.gz NBRNIJDNGXRYTA-CYBMUJFWSA-N 0 3 323.412 2.633 20 70 DFIDHN CCOCCCN1CCC(C(=O)OC)(c2ccccc2)CC1 ZINC000159641578 425963894 /nfs/dbraw/zinc/96/38/94/425963894.db2.gz HQUGRZTZSWGFOZ-UHFFFAOYSA-N 0 3 305.418 2.620 20 70 DFIDHN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1cnc(-c2cccs2)s1 ZINC000159624843 425964149 /nfs/dbraw/zinc/96/41/49/425964149.db2.gz VDLOMKIENIERQO-WDEREUQCSA-N 0 3 321.471 2.957 20 70 DFIDHN CC(C)CCn1ccc(NC(=O)NCCN2CCC(C)CC2)n1 ZINC000159640124 425964253 /nfs/dbraw/zinc/96/42/53/425964253.db2.gz ZCCOHVPQHLYKCV-UHFFFAOYSA-N 0 3 321.469 2.783 20 70 DFIDHN CCN1CCCN(C(=O)N[C@@H](C)Cc2ccc(C)cc2C)CC1 ZINC000159837613 425969518 /nfs/dbraw/zinc/96/95/18/425969518.db2.gz HRTZZGGHDMMWKC-KRWDZBQOSA-N 0 3 317.477 2.972 20 70 DFIDHN CC(C)[C@H](C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)N(C)C ZINC000159985969 425971612 /nfs/dbraw/zinc/97/16/12/425971612.db2.gz PSBJPSODEYEIMV-GOEBONIOSA-N 0 3 304.434 2.991 20 70 DFIDHN CCS[C@H]1CCC[C@H](NC(=O)N2CCCN(CC)CC2)C1 ZINC000159945693 425971694 /nfs/dbraw/zinc/97/16/94/425971694.db2.gz ZOAYUYVAGHJBHD-GJZGRUSLSA-N 0 3 313.511 2.788 20 70 DFIDHN Cc1cc(C#N)ccc1C(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000160004795 425973065 /nfs/dbraw/zinc/97/30/65/425973065.db2.gz UCHQKQGDZLTBPS-GOSISDBHSA-N 0 3 307.397 2.899 20 70 DFIDHN Cc1ccccc1CS(=O)(=O)NC[C@H]1CCCN1CC(C)C ZINC000160284630 425977860 /nfs/dbraw/zinc/97/78/60/425977860.db2.gz IRUJCECCLWKSLA-QGZVFWFLSA-N 0 3 324.490 2.535 20 70 DFIDHN CCn1c(C)nnc1CNC(C)(C)CN(C)Cc1ccccc1 ZINC000161450205 426024701 /nfs/dbraw/zinc/02/47/01/426024701.db2.gz PDPYBVVYZZWRKG-UHFFFAOYSA-N 0 3 315.465 2.607 20 70 DFIDHN CCN(CC)C(=O)CN[C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000161473012 426025132 /nfs/dbraw/zinc/02/51/32/426025132.db2.gz JZIHPKVCQCSANO-SFHVURJKSA-N 0 3 320.433 2.613 20 70 DFIDHN COC(CN(C)CCCc1cc(-c2cccc(F)c2)n[nH]1)OC ZINC000161039663 426006843 /nfs/dbraw/zinc/00/68/43/426006843.db2.gz DUPZZRPLTJPPMM-UHFFFAOYSA-N 0 3 321.396 2.699 20 70 DFIDHN CCC[C@@H]1CN(CC2CCN(C(=O)C(C)(C)C)CC2)CCO1 ZINC000161138022 426009761 /nfs/dbraw/zinc/00/97/61/426009761.db2.gz RFZVOGNTHNGUFC-MRXNPFEDSA-N 0 3 310.482 2.772 20 70 DFIDHN CCOc1cc(CNC(C)(C)[C@@H](C)O)ccc1OC(F)F ZINC000161141559 426010298 /nfs/dbraw/zinc/01/02/98/426010298.db2.gz KJQKIMLZYBSMRI-SNVBAGLBSA-N 0 3 303.349 2.936 20 70 DFIDHN CC[C@H](C)NC(=O)c1cccc(CN[C@H](COC)C2CC2)c1 ZINC000161150859 426011268 /nfs/dbraw/zinc/01/12/68/426011268.db2.gz VUJWQHUZPYBVGX-SUMWQHHRSA-N 0 3 304.434 2.730 20 70 DFIDHN COc1ccc(C(F)(F)C(=O)N(CCN(C)C)C(C)C)cc1 ZINC000161186229 426012482 /nfs/dbraw/zinc/01/24/82/426012482.db2.gz NAJWYIHXBVJRTE-UHFFFAOYSA-N 0 3 314.376 2.586 20 70 DFIDHN CCCN(CCO)Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000161228589 426013600 /nfs/dbraw/zinc/01/36/00/426013600.db2.gz BAQKBXKYVKYMDM-UHFFFAOYSA-N 0 3 305.397 2.833 20 70 DFIDHN CCn1cnnc1[C@H]1CCCN(CCOc2cccc(F)c2)C1 ZINC000161268186 426015747 /nfs/dbraw/zinc/01/57/47/426015747.db2.gz LEYHJQVNUOFJHY-AWEZNQCLSA-N 0 3 318.396 2.696 20 70 DFIDHN C[C@@H](N[C@@H](C)CC(N)=O)c1ccc(F)c(Br)c1 ZINC000161355388 426021450 /nfs/dbraw/zinc/02/14/50/426021450.db2.gz XKXAUWPOZYHXNO-JGVFFNPUSA-N 0 3 303.175 2.503 20 70 DFIDHN CCCN(C)c1ccc(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)cc1 ZINC000161398405 426021654 /nfs/dbraw/zinc/02/16/54/426021654.db2.gz BBKHJHZCLQHHFA-YJBOKZPZSA-N 0 3 317.477 2.991 20 70 DFIDHN c1cc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c2c(c1)OCCCO2 ZINC000159586685 280468495 /nfs/dbraw/zinc/46/84/95/280468495.db2.gz HMNOHFVWYSRRKZ-OLMNPRSZSA-N 0 3 315.413 2.895 20 70 DFIDHN Cc1ccc(C[C@H](C)NC(=O)NC[C@H]2CCCN(C)C2)s1 ZINC000159451619 295377104 /nfs/dbraw/zinc/37/71/04/295377104.db2.gz DUMRDKYZPNKQMZ-GXTWGEPZSA-N 0 3 309.479 2.629 20 70 DFIDHN CN(Cc1ccc(OCC(F)(F)F)nc1)C[C@H]1CCC[C@@H]1O ZINC000159542639 295378334 /nfs/dbraw/zinc/37/83/34/295378334.db2.gz NPIALTJQIVLSHG-OLZOCXBDSA-N 0 3 318.339 2.616 20 70 DFIDHN CCc1cccc(NC(=O)CNCC(CC)(CC)C(=O)OC)c1 ZINC000159662151 295379835 /nfs/dbraw/zinc/37/98/35/295379835.db2.gz BDPDHARFBWDIFJ-UHFFFAOYSA-N 0 3 320.433 2.757 20 70 DFIDHN CCCN1CCC[C@@H]1C(=O)N[C@@H]1CCc2c1cccc2OC ZINC000160032194 295385559 /nfs/dbraw/zinc/38/55/59/295385559.db2.gz ACDUSWDEKGUPCZ-HZPDHXFCSA-N 0 3 302.418 2.673 20 70 DFIDHN CCN1CCC[C@H]1CNC(=O)C1(c2ccc(C)c(OC)c2)CC1 ZINC000160067556 295385951 /nfs/dbraw/zinc/38/59/51/295385951.db2.gz QWGSYERNNPCQQS-INIZCTEOSA-N 0 3 316.445 2.636 20 70 DFIDHN C[C@@]1(C(=O)NCCN2CCCCC2)CCCc2ccccc21 ZINC000160246125 295388320 /nfs/dbraw/zinc/38/83/20/295388320.db2.gz MTWHKJBLMJARKI-LJQANCHMSA-N 0 3 300.446 2.883 20 70 DFIDHN CCN(CC)C(=O)C[C@@H](C)NCCOc1c(C)cccc1C ZINC000160278761 295388712 /nfs/dbraw/zinc/38/87/12/295388712.db2.gz SWBHXZUQRIMJNF-MRXNPFEDSA-N 0 3 306.450 2.919 20 70 DFIDHN CCN(CC)C(=O)C[C@H](C)NCCOc1c(C)cccc1C ZINC000160278902 295388792 /nfs/dbraw/zinc/38/87/92/295388792.db2.gz SWBHXZUQRIMJNF-INIZCTEOSA-N 0 3 306.450 2.919 20 70 DFIDHN CC[C@H](c1ccccc1)S(=O)(=O)C(C)C(=O)NC(C)(C)C ZINC000160444724 295391245 /nfs/dbraw/zinc/39/12/45/295391245.db2.gz DOTANOZDPATXRQ-TZMCWYRMSA-N 0 3 311.447 2.856 20 70 DFIDHN CC(C)C[C@@H](CN(C)C)NC(=O)NC[C@@]1(C)CCCS1 ZINC000160814482 295395457 /nfs/dbraw/zinc/39/54/57/295395457.db2.gz YQGKVNGSCLDEQY-DZGCQCFKSA-N 0 3 301.500 2.548 20 70 DFIDHN COCCN1CCC(NC(=O)C[C@H]2CCCCC2(C)C)CC1 ZINC000161346132 295402032 /nfs/dbraw/zinc/40/20/32/295402032.db2.gz XQZVYGNQQCPERR-OAHLLOKOSA-N 0 3 310.482 2.820 20 70 DFIDHN Cc1nc2n(n1)C[C@@H](N[C@H]1CCCOc3ccc(F)cc31)CC2 ZINC000160362859 302682047 /nfs/dbraw/zinc/68/20/47/302682047.db2.gz UCWOSBFLZRBKCF-ZFWWWQNUSA-N 0 3 316.380 2.544 20 70 DFIDHN Cc1nc2n(n1)C[C@@H](N[C@@H]1CCSc3ccccc31)CC2 ZINC000160378236 527195870 /nfs/dbraw/zinc/19/58/70/527195870.db2.gz ZZXBIIDWDDWVSZ-GXTWGEPZSA-N 0 3 300.431 2.728 20 70 DFIDHN COc1ccc(CN2CC[C@H](CN3CCOCC3)C2)cc1Cl ZINC000159587750 186129175 /nfs/dbraw/zinc/12/91/75/186129175.db2.gz IIAWZCCGKRZIFE-OAHLLOKOSA-N 0 3 324.852 2.503 20 70 DFIDHN CS[C@@H](C)CC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000161505692 197499779 /nfs/dbraw/zinc/49/97/79/197499779.db2.gz JZFQLMKSHHYLTN-ZDUSSCGKSA-N 0 3 312.454 2.858 20 70 DFIDHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1coc(-c2ccccc2)n1 ZINC000160269144 197396734 /nfs/dbraw/zinc/39/67/34/197396734.db2.gz IFWQASKZBDOENS-UKRRQHHQSA-N 0 3 311.385 2.650 20 70 DFIDHN Cc1nnc(N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c(C#N)c1C ZINC000160241550 197394560 /nfs/dbraw/zinc/39/45/60/197394560.db2.gz ZMDLMBYZTOKYGA-UGSOOPFHSA-N 0 3 321.428 2.898 20 70 DFIDHN CSCC[C@H](N)C(=O)N1CCC[C@](C)(c2ccccc2)C1 ZINC000160106117 197385958 /nfs/dbraw/zinc/38/59/58/197385958.db2.gz TVYIGLHCPNVOFC-RDJZCZTQSA-N 0 3 306.475 2.647 20 70 DFIDHN C[C@H](NCCC1CCN(CC(F)(F)F)CC1)c1cnccn1 ZINC000159990858 197378514 /nfs/dbraw/zinc/37/85/14/197378514.db2.gz BUHQIBLWDPLARP-LBPRGKRZSA-N 0 3 316.371 2.792 20 70 DFIDHN CN(CC#Cc1ccc(F)cc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000159885497 197371080 /nfs/dbraw/zinc/37/10/80/197371080.db2.gz QZLDQKCBPAFYFH-GOSISDBHSA-N 0 3 324.403 2.568 20 70 DFIDHN CCN1CCCN(C(=O)NCc2ccc(F)c(Cl)c2)CC1 ZINC000159796579 197365887 /nfs/dbraw/zinc/36/58/87/197365887.db2.gz NZZNMJVGMLQMMW-UHFFFAOYSA-N 0 3 313.804 2.716 20 70 DFIDHN CC(C)[C@@H](N)C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000159510467 197359297 /nfs/dbraw/zinc/35/92/97/197359297.db2.gz XLJOBUBTQYJWEO-HZPDHXFCSA-N 0 3 324.852 2.595 20 70 DFIDHN CC(=O)c1cnc(NC(=O)[C@H](C)[C@@H](N)c2ccccc2)s1 ZINC000159507369 197358868 /nfs/dbraw/zinc/35/88/68/197358868.db2.gz KUSZRFQVAOLQRF-NOZJJQNGSA-N 0 3 303.387 2.620 20 70 DFIDHN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NC(=O)[C@@H](C)N ZINC000159456753 197355540 /nfs/dbraw/zinc/35/55/40/197355540.db2.gz ADIWSSFZJNTTQF-GHMZBOCLSA-N 0 3 303.431 2.951 20 70 DFIDHN CCN(CCc1nccs1)Cc1cccc2c1OCCO2 ZINC000159430373 197353741 /nfs/dbraw/zinc/35/37/41/197353741.db2.gz QBYRNKKNGCXGQW-UHFFFAOYSA-N 0 3 304.415 2.979 20 70 DFIDHN COCCN(C)CCN[C@H]1CCCOc2c(C)cc(C)cc21 ZINC000159402765 284959590 /nfs/dbraw/zinc/95/95/90/284959590.db2.gz JSTXXCPPVOTDJL-KRWDZBQOSA-N 0 3 306.450 2.685 20 70 DFIDHN CCCCn1ncc(NC(=O)N[C@@H]2CCN(CC3CC3)C2)c1C ZINC000159876030 542719896 /nfs/dbraw/zinc/71/98/96/542719896.db2.gz AGRBSMSWUTZMIQ-OAHLLOKOSA-N 0 3 319.453 2.597 20 70 DFIDHN CC(C)CNC(=O)[C@H](C)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000160832536 145221727 /nfs/dbraw/zinc/22/17/27/145221727.db2.gz HJZFJJVPRZGKBZ-GJZGRUSLSA-N 0 3 314.433 2.684 20 70 DFIDHN Cc1nc2n(n1)C[C@H](N[C@H]1CCCOc3ccc(C)cc31)CC2 ZINC000160445905 425983331 /nfs/dbraw/zinc/98/33/31/425983331.db2.gz XXMJMICHEXPTHT-ZBFHGGJFSA-N 0 3 312.417 2.713 20 70 DFIDHN CC[C@@H](N[C@@H]1CCc2nc(C)nn2C1)c1cccc([N+](=O)[O-])c1 ZINC000160494776 425983792 /nfs/dbraw/zinc/98/37/92/425983792.db2.gz PCXCOYCHSGDHNE-UKRRQHHQSA-N 0 3 315.377 2.550 20 70 DFIDHN Cc1cc(C#N)ccc1C(=O)NCc1cccc(CN(C)C)c1 ZINC000160538306 425986407 /nfs/dbraw/zinc/98/64/07/425986407.db2.gz MJIDOAKCWNKSOU-UHFFFAOYSA-N 0 3 307.397 2.858 20 70 DFIDHN COc1ccc(Cl)cc1[C@H](C)N[C@@H]1CCc2nc(C)nn2C1 ZINC000160529037 425986835 /nfs/dbraw/zinc/98/68/35/425986835.db2.gz YKCVUIBRHRPGLB-GXFFZTMASA-N 0 3 320.824 2.914 20 70 DFIDHN C[C@H]1CCCCN1CCNC(=O)c1c(F)cc(F)cc1F ZINC000160574634 425987217 /nfs/dbraw/zinc/98/72/17/425987217.db2.gz WDDNGUGSFDNISO-JTQLQIEISA-N 0 3 300.324 2.708 20 70 DFIDHN CC[C@@H](NC[C@H](C)N(C)Cc1ccccc1)c1cnn(C)c1 ZINC000160853552 425998821 /nfs/dbraw/zinc/99/88/21/425998821.db2.gz DYYFGGGPSALOGH-MAUKXSAKSA-N 0 3 300.450 2.981 20 70 DFIDHN CC(C)NC(=O)CN[C@@H](C)[C@@H](C)c1nc2ccccc2s1 ZINC000160955599 426003105 /nfs/dbraw/zinc/00/31/05/426003105.db2.gz HQZIHWFTIGEURY-NEPJUHHUSA-N 0 3 305.447 2.903 20 70 DFIDHN Cc1ccc(C(=O)N2CCC(N[C@H](C)c3cnccn3)CC2)cc1 ZINC000160993448 426004152 /nfs/dbraw/zinc/00/41/52/426004152.db2.gz YZYQWZLNCKSXAK-OAHLLOKOSA-N 0 3 324.428 2.740 20 70 DFIDHN COCCN(C)CCN[C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000159422108 425961133 /nfs/dbraw/zinc/96/11/33/425961133.db2.gz SAKBGOMPZDLFBX-LBPRGKRZSA-N 0 3 320.355 2.814 20 70 DFIDHN Cc1ccc(-c2ncc(CN3C[C@H](C(N)=O)CC[C@@H]3C)s2)o1 ZINC000159679944 425965264 /nfs/dbraw/zinc/96/52/64/425965264.db2.gz OZFGIHCXMJFNRY-CMPLNLGQSA-N 0 3 319.430 2.797 20 70 DFIDHN Cc1ccc(C(=O)NC2CCN(CCOCC3CC3)CC2)s1 ZINC000159891355 425970160 /nfs/dbraw/zinc/97/01/60/425970160.db2.gz YDCVDRQDOYQEOU-UHFFFAOYSA-N 0 3 322.474 2.677 20 70 DFIDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC1(C)CCC1 ZINC000159929814 425970752 /nfs/dbraw/zinc/97/07/52/425970752.db2.gz XHOCFTKLXMPDMG-HOCLYGCPSA-N 0 3 301.434 2.749 20 70 DFIDHN COc1ccc(CNCC2(CO)CCCC2)c(Cl)c1OC ZINC000160119616 425974921 /nfs/dbraw/zinc/97/49/21/425974921.db2.gz ZZJONXBVFTZAOT-UHFFFAOYSA-N 0 3 313.825 3.000 20 70 DFIDHN CCCCNC(=O)c1ccc(CN[C@@H](COC)C2CC2)cc1 ZINC000160119423 425975230 /nfs/dbraw/zinc/97/52/30/425975230.db2.gz RKFAPSRNSCSBTC-KRWDZBQOSA-N 0 3 304.434 2.731 20 70 DFIDHN CCC[C@@H](N[C@H](CC)COC)C(=O)N1CCc2sccc2C1 ZINC000160200725 425976392 /nfs/dbraw/zinc/97/63/92/425976392.db2.gz QOKQJOIVBMPFOH-HUUCEWRRSA-N 0 3 324.490 2.816 20 70 DFIDHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)c2ccc(F)c(F)c2F)C1 ZINC000161412267 426022938 /nfs/dbraw/zinc/02/29/38/426022938.db2.gz LCXPWYBWHVDQAA-SKDRFNHKSA-N 0 3 300.324 2.562 20 70 DFIDHN Fc1cccc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000161405703 426023463 /nfs/dbraw/zinc/02/34/63/426023463.db2.gz HGBBYSDDOPPWFF-CQSZACIVSA-N 0 3 300.381 2.743 20 70 DFIDHN Fc1cccc(CN2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000161405554 426023557 /nfs/dbraw/zinc/02/35/57/426023557.db2.gz HGBBYSDDOPPWFF-AWEZNQCLSA-N 0 3 300.381 2.743 20 70 DFIDHN CC[C@@H](C)NC(=O)c1cccc(CN[C@@H](COC)C2CC2)c1 ZINC000161150521 426010439 /nfs/dbraw/zinc/01/04/39/426010439.db2.gz VUJWQHUZPYBVGX-DYVFJYSZSA-N 0 3 304.434 2.730 20 70 DFIDHN CCC[C@H](C(=O)N(C)Cc1ccc(OC(F)F)cc1)N(C)C ZINC000161216914 426013361 /nfs/dbraw/zinc/01/33/61/426013361.db2.gz KXXOUJOXMGEZLE-CQSZACIVSA-N 0 3 314.376 2.977 20 70 DFIDHN CCC[C@H](C(=O)NC[C@H](c1ccco1)N1CCCCC1)N(C)C ZINC000161225034 426013586 /nfs/dbraw/zinc/01/35/86/426013586.db2.gz UAJBCTDAQLNHBQ-HZPDHXFCSA-N 0 3 321.465 2.653 20 70 DFIDHN CC[C@H](NC(=O)[C@@H](N)CCSC)c1ccc(F)cc1F ZINC000161210601 426013774 /nfs/dbraw/zinc/01/37/74/426013774.db2.gz NPEXBQLIPSLNMM-STQMWFEESA-N 0 3 302.390 2.613 20 70 DFIDHN COc1cccc(Cl)c1C(=O)N[C@H]1CN(C(C)C)C[C@H]1C ZINC000161226508 426014178 /nfs/dbraw/zinc/01/41/78/426014178.db2.gz DJFKMAJBJFXRNK-YPMHNXCESA-N 0 3 310.825 2.807 20 70 DFIDHN Cc1cc(C(=O)NCc2ccccc2CN2CCCCC2)ncn1 ZINC000161316612 426018192 /nfs/dbraw/zinc/01/81/92/426018192.db2.gz HOSKZDBHFRTZQF-UHFFFAOYSA-N 0 3 324.428 2.701 20 70 DFIDHN CCn1cnnc1[C@@H]1CCCN(CCOc2ccc(F)cc2)C1 ZINC000161328086 426018493 /nfs/dbraw/zinc/01/84/93/426018493.db2.gz DGMPOYKXVWXXHN-CQSZACIVSA-N 0 3 318.396 2.696 20 70 DFIDHN CCC[C@@H](C(=O)NCc1ccccc1OC(F)(F)F)N(C)C ZINC000161347720 426021371 /nfs/dbraw/zinc/02/13/71/426021371.db2.gz IQCKYRQKBNIWEY-LBPRGKRZSA-N 0 3 318.339 2.932 20 70 DFIDHN COc1ccc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000161402546 426021646 /nfs/dbraw/zinc/02/16/46/426021646.db2.gz CEFHMICLWNSRTM-OAHLLOKOSA-N 0 3 312.417 2.613 20 70 DFIDHN CS[C@H](CO)[C@H](C)NCc1ccc(Br)c(F)c1 ZINC000217852319 426565866 /nfs/dbraw/zinc/56/58/66/426565866.db2.gz HKNCIAVATUCYMB-QPUJVOFHSA-N 0 3 322.243 2.790 20 70 DFIDHN Cc1cccc([C@H](NC(=O)C2CCN(C)CC2)c2ccccn2)c1 ZINC000160213175 271080060 /nfs/dbraw/zinc/08/00/60/271080060.db2.gz UZUFEOHBIZDQTA-IBGZPJMESA-N 0 3 323.440 2.937 20 70 DFIDHN COc1ccc(Cl)cc1[C@H](C)N[C@H]1CCc2nc(C)nn2C1 ZINC000160529166 274112632 /nfs/dbraw/zinc/11/26/32/274112632.db2.gz YKCVUIBRHRPGLB-GWCFXTLKSA-N 0 3 320.824 2.914 20 70 DFIDHN CC[C@H](N[C@H]1CCc2nc(C)nn2C1)c1ccccc1OC ZINC000160533423 276641299 /nfs/dbraw/zinc/64/12/99/276641299.db2.gz PUICGIPBTFFQKT-ZFWWWQNUSA-N 0 3 300.406 2.651 20 70 DFIDHN Cc1nc2n(n1)C[C@H](N[C@@H]1CCCOc3cc(C)ccc31)CC2 ZINC000160366243 293554488 /nfs/dbraw/zinc/55/44/88/293554488.db2.gz HIOLCVXBAAEENW-GDBMZVCRSA-N 0 3 312.417 2.713 20 70 DFIDHN COc1ccccc1CCNC(=O)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000159616264 295379112 /nfs/dbraw/zinc/37/91/12/295379112.db2.gz XKRLOJOGTYDJPL-RDJZCZTQSA-N 0 3 316.445 2.618 20 70 DFIDHN CC[C@@H](C)OCC(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000159727533 295380643 /nfs/dbraw/zinc/38/06/43/295380643.db2.gz SYPZOPCXEUTINF-AEFFLSMTSA-N 0 3 318.461 2.925 20 70 DFIDHN Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N[C@@H](C)CN1CCCCC1 ZINC000159895973 295383695 /nfs/dbraw/zinc/38/36/95/295383695.db2.gz FLNCRUQNRJWVSK-STQMWFEESA-N 0 3 306.454 2.511 20 70 DFIDHN CN(C)CCN(C(=O)NCc1ccc(C#N)cc1)C1CCCC1 ZINC000160157127 295387450 /nfs/dbraw/zinc/38/74/50/295387450.db2.gz WTFXJCIGYFLUSN-UHFFFAOYSA-N 0 3 314.433 2.574 20 70 DFIDHN CCN(CC)[C@@H](CNC(=O)C1(C)CC1)c1cccc(OC)c1 ZINC000160243878 295388244 /nfs/dbraw/zinc/38/82/44/295388244.db2.gz YMWSHNSFEBABCL-INIZCTEOSA-N 0 3 304.434 2.994 20 70 DFIDHN CCCc1ncc(C(=O)NC[C@H]2CCCN2CC(C)C)s1 ZINC000160404543 295390872 /nfs/dbraw/zinc/39/08/72/295390872.db2.gz WJMADRWHJSBDPI-CYBMUJFWSA-N 0 3 309.479 2.946 20 70 DFIDHN CC[C@H](c1ccccc1)S(=O)(=O)C(C)C(=O)NCC(C)C ZINC000160437125 295391156 /nfs/dbraw/zinc/39/11/56/295391156.db2.gz WIQLEZYMYDDTOB-UKRRQHHQSA-N 0 3 311.447 2.713 20 70 DFIDHN COc1cccc(N2CCN(Cc3cccc4c[nH]nc43)CC2)c1 ZINC000160686548 295394480 /nfs/dbraw/zinc/39/44/80/295394480.db2.gz SCROGXSFDJKNAW-UHFFFAOYSA-N 0 3 322.412 2.894 20 70 DFIDHN CCN1CCCC[C@H]1C(=O)NCCc1csc(C(C)(C)C)n1 ZINC000160726253 295394800 /nfs/dbraw/zinc/39/48/00/295394800.db2.gz YBNSNTJQSUACMF-AWEZNQCLSA-N 0 3 323.506 2.974 20 70 DFIDHN CCN1CCCC[C@@H]1C(=O)NCCc1csc(C(C)(C)C)n1 ZINC000160726126 295395064 /nfs/dbraw/zinc/39/50/64/295395064.db2.gz YBNSNTJQSUACMF-CQSZACIVSA-N 0 3 323.506 2.974 20 70 DFIDHN N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H]1CN1CCCCC1 ZINC000160444456 303186265 /nfs/dbraw/zinc/18/62/65/303186265.db2.gz HVQYRDBVYXJXRT-MRXNPFEDSA-N 0 3 314.389 2.921 20 70 DFIDHN CCN(CC)c1ccc(CN2CCC(CC(N)=O)CC2)cc1 ZINC000159835234 520892859 /nfs/dbraw/zinc/89/28/59/520892859.db2.gz JRTKVSBNTJOLHZ-UHFFFAOYSA-N 0 3 303.450 2.620 20 70 DFIDHN Cc1cccc([C@@H]2CCCN2C[C@H](O)COc2ccccc2)n1 ZINC000160332985 524850167 /nfs/dbraw/zinc/85/01/67/524850167.db2.gz WSLRKVZVOSBSGV-LPHOPBHVSA-N 0 3 312.413 2.967 20 70 DFIDHN C[C@H]1CCO[C@H]1C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000160377029 290608649 /nfs/dbraw/zinc/60/86/49/290608649.db2.gz LLBHBHLQNMJRHD-MAUKXSAKSA-N 0 3 316.445 2.534 20 70 DFIDHN Cc1nc2n(n1)C[C@@H](N[C@H]1CCc3cc(Cl)ccc31)CC2 ZINC000160531612 282119266 /nfs/dbraw/zinc/11/92/66/282119266.db2.gz RGZJLRSLSCLECV-ZFWWWQNUSA-N 0 3 302.809 2.832 20 70 DFIDHN CCN1CCCN(C(=O)N[C@@H](C)c2cc(F)ccc2OC)CC1 ZINC000159670494 186133885 /nfs/dbraw/zinc/13/38/85/186133885.db2.gz QJVQPVKLISNNBR-ZDUSSCGKSA-N 0 3 323.412 2.633 20 70 DFIDHN CCN1CCCN(C(=O)NCC2(c3ccc(F)cc3)CC2)CC1 ZINC000159676878 186134788 /nfs/dbraw/zinc/13/47/88/186134788.db2.gz CNUNPKOEFNIKIM-UHFFFAOYSA-N 0 3 319.424 2.595 20 70 DFIDHN CC(C)[C@H](C(=O)NCCCO[C@H](C)c1ccccc1)N(C)C ZINC000159702532 186136504 /nfs/dbraw/zinc/13/65/04/186136504.db2.gz QMMOOEADNIJIGZ-NVXWUHKLSA-N 0 3 306.450 2.857 20 70 DFIDHN Cc1ccsc1[C@H]1C[C@@H]1C(=O)NC1CCN(C2CC2)CC1 ZINC000160242560 197394888 /nfs/dbraw/zinc/39/48/88/197394888.db2.gz GHZFQGIJLIWZBO-GJZGRUSLSA-N 0 3 304.459 2.903 20 70 DFIDHN Cc1nc(CCNC(=O)[C@@H](C)N2[C@H](C)CC[C@@H]2C)sc1C ZINC000160093527 197385092 /nfs/dbraw/zinc/38/50/92/197385092.db2.gz YTLLVUYFQOCMRI-NTZNESFSSA-N 0 3 309.479 2.680 20 70 DFIDHN CCN1CCCN(C(=O)NCc2ccc(C)cc2SC)CC1 ZINC000159971798 197376786 /nfs/dbraw/zinc/37/67/86/197376786.db2.gz UTJZBTTZPPYQKE-UHFFFAOYSA-N 0 3 321.490 2.954 20 70 DFIDHN CCN1CCCN(C(=O)NC[C@H](c2cccnc2)C(C)C)CC1 ZINC000159958146 197375782 /nfs/dbraw/zinc/37/57/82/197375782.db2.gz GMWAKMZYTDRQGF-KRWDZBQOSA-N 0 3 318.465 2.558 20 70 DFIDHN CCN1CCCN(C(=O)N[C@H](C)[C@@H](C)c2ccccc2)CC1 ZINC000159940697 197374768 /nfs/dbraw/zinc/37/47/68/197374768.db2.gz BBACEMUNJBRHEN-HZPDHXFCSA-N 0 3 303.450 2.916 20 70 DFIDHN O=C1CCCN1CCCN[C@@H]1CCSc2ccc(F)cc21 ZINC000159463816 197355682 /nfs/dbraw/zinc/35/56/82/197355682.db2.gz UIKREDXQJFJSDT-CQSZACIVSA-N 0 3 308.422 2.965 20 70 DFIDHN O=C(NCCCO[C@@H]1CCCc2ccccc21)[C@@H]1CCCCN1 ZINC000160123585 295643777 /nfs/dbraw/zinc/64/37/77/295643777.db2.gz RBFWDJWNWYUIIO-ZWKOTPCHSA-N 0 3 316.445 2.729 20 70 DFIDHN CC(C)CCn1ccc(NC(=O)N[C@@H]2CCN(CC3CC3)C2)n1 ZINC000159578568 542718784 /nfs/dbraw/zinc/71/87/84/542718784.db2.gz MYOMEVZFWKSXJP-OAHLLOKOSA-N 0 3 319.453 2.535 20 70 DFIDHN C=C(C)CN1CCC(NC(=O)C[C@H](C)c2ccncc2)CC1 ZINC000160070994 542720696 /nfs/dbraw/zinc/72/06/96/542720696.db2.gz WLVYTNHTGQSJEG-HNNXBMFYSA-N 0 3 301.434 2.732 20 70 DFIDHN CC(C)OCCNC[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000160185506 542721819 /nfs/dbraw/zinc/72/18/19/542721819.db2.gz KTPGSERPHMZFJD-NSHDSACASA-N 0 3 322.232 2.748 20 70 DFIDHN O=[N+]([O-])c1ccc(CNC[C@@H](O)CCc2ccccc2)cc1 ZINC000217713159 542878093 /nfs/dbraw/zinc/87/80/93/542878093.db2.gz WBKSUHMMERGVGI-KRWDZBQOSA-N 0 3 300.358 2.678 20 70 DFIDHN COc1ccc(C)cc1[C@@H](C)N[C@@H]1CCc2nc(C)nn2C1 ZINC000160423303 425981266 /nfs/dbraw/zinc/98/12/66/425981266.db2.gz WYQHQRLCQKZOPS-TZMCWYRMSA-N 0 3 300.406 2.569 20 70 DFIDHN Cc1nc2n(n1)C[C@H](N[C@@H](C)c1ccccc1OC(F)F)CC2 ZINC000160416558 425982339 /nfs/dbraw/zinc/98/23/39/425982339.db2.gz RUGLVTVADYMYFC-CMPLNLGQSA-N 0 3 322.359 2.854 20 70 DFIDHN CCN1CCCN(C(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000160523477 425985203 /nfs/dbraw/zinc/98/52/03/425985203.db2.gz XOFRGKQHVIOURK-QGZVFWFLSA-N 0 3 314.433 2.769 20 70 DFIDHN CCN1CCCN(C(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000160523338 425985593 /nfs/dbraw/zinc/98/55/93/425985593.db2.gz XOFRGKQHVIOURK-KRWDZBQOSA-N 0 3 314.433 2.769 20 70 DFIDHN COc1ccc(Cl)cc1[C@@H](C)N[C@@H]1CCc2nc(C)nn2C1 ZINC000160529262 425986893 /nfs/dbraw/zinc/98/68/93/425986893.db2.gz YKCVUIBRHRPGLB-ZWNOBZJWSA-N 0 3 320.824 2.914 20 70 DFIDHN C[C@H](C(=O)N(C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[C@H](N)c1ccccc1 ZINC000160563037 425987058 /nfs/dbraw/zinc/98/70/58/425987058.db2.gz DQOPGDPWWNUUHY-DWBZUHSKSA-N 0 3 316.445 2.594 20 70 DFIDHN O=C(NCCN1CCCCC1)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000160570038 425987471 /nfs/dbraw/zinc/98/74/71/425987471.db2.gz HWDAYGUKLFTVBE-UKRRQHHQSA-N 0 3 308.372 2.670 20 70 DFIDHN C[C@@H](NCc1ccc(CN2CCOCC2)cc1)c1cncs1 ZINC000160591060 425988220 /nfs/dbraw/zinc/98/82/20/425988220.db2.gz MNSJHBGPOXGBRK-CQSZACIVSA-N 0 3 317.458 2.826 20 70 DFIDHN CN(C)[C@@H]1CCCN(C(=O)N[C@@H](CCC#N)c2ccccc2)C1 ZINC000160599607 425988250 /nfs/dbraw/zinc/98/82/50/425988250.db2.gz UPZSKGDNTBPFQY-SJORKVTESA-N 0 3 314.433 2.767 20 70 DFIDHN COC(=O)c1ccc(CN2CC[C@@]3(O)CCCC[C@@H]3C2)cc1F ZINC000160583890 425988506 /nfs/dbraw/zinc/98/85/06/425988506.db2.gz VBQLJNVBTYVORB-KDOFPFPSSA-N 0 3 321.392 2.739 20 70 DFIDHN CC[C@@H](C)CN(CC)[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000160581030 425988961 /nfs/dbraw/zinc/98/89/61/425988961.db2.gz QMNRGCVWUBINLC-NEPJUHHUSA-N 0 3 318.421 2.551 20 70 DFIDHN O=C(NC1CCN(C2CC2)CC1)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000159369165 425959463 /nfs/dbraw/zinc/95/94/63/425959463.db2.gz IBZYWUXTJHAJRP-GOEBONIOSA-N 0 3 320.383 2.811 20 70 DFIDHN COc1cc(CN2C[C@H](C(N)=O)CC[C@@H]2C)ccc1OC(C)C ZINC000159533122 425961331 /nfs/dbraw/zinc/96/13/31/425961331.db2.gz YHXDDJKGUNXNNU-DZGCQCFKSA-N 0 3 320.433 2.568 20 70 DFIDHN C=CCOc1ccc(CN2C[C@H](C(N)=O)CC[C@@H]2C)cc1Cl ZINC000159516527 425962441 /nfs/dbraw/zinc/96/24/41/425962441.db2.gz KALKNGISZSYSLI-GXTWGEPZSA-N 0 3 322.836 2.991 20 70 DFIDHN O=C(Nc1cc(F)ccc1SCC(F)F)[C@]1(F)CCNC1 ZINC000159593496 425963455 /nfs/dbraw/zinc/96/34/55/425963455.db2.gz VEUMXVHQEJGGKI-ZDUSSCGKSA-N 0 3 322.327 2.823 20 70 DFIDHN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1cnc(-c2cccs2)s1 ZINC000159624449 425964453 /nfs/dbraw/zinc/96/44/53/425964453.db2.gz VDLOMKIENIERQO-MNOVXSKESA-N 0 3 321.471 2.957 20 70 DFIDHN CCC[C@H](C(=O)NC1CCN(Cc2ccsc2)CC1)N(C)C ZINC000159659328 425965134 /nfs/dbraw/zinc/96/51/34/425965134.db2.gz CTFOHLYGIMSICM-MRXNPFEDSA-N 0 3 323.506 2.559 20 70 DFIDHN CCCN1CCCN(C(=O)c2coc(-c3ccccc3)n2)CC1 ZINC000159930441 425970540 /nfs/dbraw/zinc/97/05/40/425970540.db2.gz QLPLPQHXEFURBS-UHFFFAOYSA-N 0 3 313.401 2.900 20 70 DFIDHN CCn1cnnc1[C@@H]1CCCN(Cc2cccc(OC)c2)C1 ZINC000161428548 426023184 /nfs/dbraw/zinc/02/31/84/426023184.db2.gz VZEITPNSKBKIQE-OAHLLOKOSA-N 0 3 300.406 2.686 20 70 DFIDHN COc1ccc(COCCCN[C@@H](C)c2cnccn2)cc1 ZINC000161077010 426007398 /nfs/dbraw/zinc/00/73/98/426007398.db2.gz KFVSABQPSNLVFT-AWEZNQCLSA-N 0 3 301.390 2.743 20 70 DFIDHN COc1ccc(COCCCN[C@@H](C)c2cnn(C)c2)cc1 ZINC000161078216 426007725 /nfs/dbraw/zinc/00/77/25/426007725.db2.gz BEWAEUYCTNLCNH-AWEZNQCLSA-N 0 3 303.406 2.686 20 70 DFIDHN Cn1cncc1CNCCc1ccc(Br)s1 ZINC000218139221 426566438 /nfs/dbraw/zinc/56/64/38/426566438.db2.gz YGVZPBLZGNHQPT-UHFFFAOYSA-N 0 3 300.225 2.576 20 70 DFIDHN C[C@@H](CN[C@H]1CCCc2c1cnn2C)N1CCc2ccccc2C1 ZINC000159837260 278286492 /nfs/dbraw/zinc/28/64/92/278286492.db2.gz CJWCPCPQENKLDE-KXBFYZLASA-N 0 3 324.472 2.834 20 70 DFIDHN Cc1nc2n(n1)C[C@H](N[C@@H]1c3cc(F)ccc3C[C@@H]1C)CC2 ZINC000160582244 279144147 /nfs/dbraw/zinc/14/41/47/279144147.db2.gz TVXVYXCTIFXLDH-IXBGWNDUSA-N 0 3 300.381 2.564 20 70 DFIDHN O=C(CN1CC[C@@H]2CCCC[C@@H]21)Nc1ccc2c(c1)OCCO2 ZINC000159662687 295379900 /nfs/dbraw/zinc/37/99/00/295379900.db2.gz LPLIDPZWIZWUNH-ZFWWWQNUSA-N 0 3 316.401 2.661 20 70 DFIDHN CCCCn1ncc(NC(=O)N(C)C[C@H]2CCCN2CC)c1C ZINC000159770260 295381874 /nfs/dbraw/zinc/38/18/74/295381874.db2.gz MFBOQXISBQNNNJ-OAHLLOKOSA-N 0 3 321.469 2.940 20 70 DFIDHN COC(=O)c1coc(CN(CCc2nccs2)C(C)C)c1 ZINC000159831232 295382753 /nfs/dbraw/zinc/38/27/53/295382753.db2.gz SGDAZEVVWJKFOG-UHFFFAOYSA-N 0 3 308.403 2.976 20 70 DFIDHN CNC(=O)c1ccc(CN(CCc2nccs2)C(C)C)cc1 ZINC000159889184 295383674 /nfs/dbraw/zinc/38/36/74/295383674.db2.gz XBQFHMWQPRQWPC-UHFFFAOYSA-N 0 3 317.458 2.956 20 70 DFIDHN CN(C)CCN(C(=O)NCc1cccc(F)c1)C1CCCC1 ZINC000159945885 295384005 /nfs/dbraw/zinc/38/40/05/295384005.db2.gz LQSFYLIAUWJXDO-UHFFFAOYSA-N 0 3 307.413 2.842 20 70 DFIDHN COc1ccc(C[C@@H](C)C(=O)N[C@H](CC(C)C)CN(C)C)cc1 ZINC000160250920 295388753 /nfs/dbraw/zinc/38/87/53/295388753.db2.gz YQJWAQGZTLIYAU-NVXWUHKLSA-N 0 3 320.477 2.966 20 70 DFIDHN COc1ccc(C[C@H](C)C(=O)N[C@H](CC(C)C)CN(C)C)cc1 ZINC000160250674 295388776 /nfs/dbraw/zinc/38/87/76/295388776.db2.gz YQJWAQGZTLIYAU-DOTOQJQBSA-N 0 3 320.477 2.966 20 70 DFIDHN C[C@@H]1CCCN(CCNC(=O)c2cc(F)cc3cccnc32)C1 ZINC000160496971 295392022 /nfs/dbraw/zinc/39/20/22/295392022.db2.gz AFKRDZWYHWIOQX-CYBMUJFWSA-N 0 3 315.392 2.836 20 70 DFIDHN C[C@@H](NCC(=O)NCC(F)(F)F)c1cc2c(s1)CCCC2 ZINC000160557598 295393031 /nfs/dbraw/zinc/39/30/31/295393031.db2.gz CAJKWBAOPGOMDL-SECBINFHSA-N 0 3 320.380 2.956 20 70 DFIDHN CCCN1CCCN(C(=O)CSc2ccc(OC)cc2)CC1 ZINC000160386155 519848718 /nfs/dbraw/zinc/84/87/18/519848718.db2.gz FOHXZTZAFLBHLN-UHFFFAOYSA-N 0 3 322.474 2.732 20 70 DFIDHN CC[C@@H](C(=O)N1CCO[C@H](c2ccc(C)cc2C)C1)N(C)C ZINC000161385263 521820503 /nfs/dbraw/zinc/82/05/03/521820503.db2.gz NOXCEBVPYMWVIP-IRXDYDNUSA-N 0 3 304.434 2.544 20 70 DFIDHN COc1cc([O-])c(C[N@H+](C)CCC2CCOCC2)cc1OC ZINC000160392984 522768428 /nfs/dbraw/zinc/76/84/28/522768428.db2.gz QXOIAIOKVQTOLT-UHFFFAOYSA-N 0 3 309.406 2.658 20 70 DFIDHN COc1cc([O-])c(C[N@@H+](C)CCC2CCOCC2)cc1OC ZINC000160392984 522768431 /nfs/dbraw/zinc/76/84/31/522768431.db2.gz QXOIAIOKVQTOLT-UHFFFAOYSA-N 0 3 309.406 2.658 20 70 DFIDHN COc1cc([O-])c(C[N@H+](C)CCc2nccs2)cc1OC ZINC000160481264 522770719 /nfs/dbraw/zinc/77/07/19/522770719.db2.gz DCVADWLLJCQQMN-UHFFFAOYSA-N 0 3 308.403 2.540 20 70 DFIDHN COc1cc([O-])c(C[N@@H+](C)CCc2nccs2)cc1OC ZINC000160481264 522770725 /nfs/dbraw/zinc/77/07/25/522770725.db2.gz DCVADWLLJCQQMN-UHFFFAOYSA-N 0 3 308.403 2.540 20 70 DFIDHN COc1cc(O)c(CN(C)CCc2nccs2)cc1OC ZINC000160481264 522770731 /nfs/dbraw/zinc/77/07/31/522770731.db2.gz DCVADWLLJCQQMN-UHFFFAOYSA-N 0 3 308.403 2.540 20 70 DFIDHN COc1cc(O)c(CN2CC[C@@H](OCC(C)C)C2)cc1OC ZINC000160403564 522776598 /nfs/dbraw/zinc/77/65/98/522776598.db2.gz YBPXVJRJNRRVFQ-CQSZACIVSA-N 0 3 309.406 2.656 20 70 DFIDHN C[C@H]1CCO[C@@H]1C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000160376765 524318296 /nfs/dbraw/zinc/31/82/96/524318296.db2.gz LLBHBHLQNMJRHD-YJBOKZPZSA-N 0 3 316.445 2.534 20 70 DFIDHN Cc1cccc([C@H]2CCCN2C[C@H](O)COc2ccccc2)n1 ZINC000160333117 524895207 /nfs/dbraw/zinc/89/52/07/524895207.db2.gz WSLRKVZVOSBSGV-QFBILLFUSA-N 0 3 312.413 2.967 20 70 DFIDHN Cc1ncc([C@@H](C)NC[C@H]2CC(=O)Nc3ccccc32)c(C)n1 ZINC000160593311 527306702 /nfs/dbraw/zinc/30/67/02/527306702.db2.gz WYCYNYCOMOPJOB-BXUZGUMPSA-N 0 3 310.401 2.870 20 70 DFIDHN Cc1cc(F)ccc1CCNC(=O)N(CCN(C)C)C(C)C ZINC000159543824 186125905 /nfs/dbraw/zinc/12/59/05/186125905.db2.gz FMSOKCWGRPJJID-UHFFFAOYSA-N 0 3 309.429 2.658 20 70 DFIDHN C[C@H](O)C(C)(C)NCc1cc(Br)cc2c1OCC2 ZINC000159571741 186127601 /nfs/dbraw/zinc/12/76/01/186127601.db2.gz KESXULFYMAQIJG-VIFPVBQESA-N 0 3 314.223 2.633 20 70 DFIDHN COC[C@@H](C)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000159592455 186129646 /nfs/dbraw/zinc/12/96/46/186129646.db2.gz PEIHEIGOPYKJGT-CRAIPNDOSA-N 0 3 312.413 2.861 20 70 DFIDHN CSCC[C@H](N)C(=O)NCCCc1ccc(C(C)C)cc1 ZINC000159609297 186130662 /nfs/dbraw/zinc/13/06/62/186130662.db2.gz TWZMUCJYUNMFIC-INIZCTEOSA-N 0 3 308.491 2.939 20 70 DFIDHN CCC(CC)(CNCC(=O)Nc1cc(C)ccc1C)C(=O)OC ZINC000159671708 186134579 /nfs/dbraw/zinc/13/45/79/186134579.db2.gz HRPPXQPQGUXSJW-UHFFFAOYSA-N 0 3 320.433 2.811 20 70 DFIDHN CCN1CCCN(C(=O)NCCc2ccc(Cl)s2)CC1 ZINC000159692064 186135854 /nfs/dbraw/zinc/13/58/54/186135854.db2.gz CTVGHPDHHALRIE-UHFFFAOYSA-N 0 3 315.870 2.681 20 70 DFIDHN Cc1ccc([C@@H](C)CNC(=O)NC[C@@H]2CCCN(C)C2)cc1 ZINC000159447728 398965097 /nfs/dbraw/zinc/96/50/97/398965097.db2.gz BFSLANRIQJPRIL-HOTGVXAUSA-N 0 3 303.450 2.740 20 70 DFIDHN CS[C@H](C)CNC(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC000160225038 398969153 /nfs/dbraw/zinc/96/91/53/398969153.db2.gz VTQXNPFLGZXZNI-CQSZACIVSA-N 0 3 323.506 2.948 20 70 DFIDHN CCc1nc(C)c([C@H](C)N[C@@H]2CCc3nc(C)nn3C2)s1 ZINC000160315915 197399846 /nfs/dbraw/zinc/39/98/46/197399846.db2.gz HPMBPQYNWUXGSB-JOYOIKCWSA-N 0 3 305.451 2.579 20 70 DFIDHN Cc1cncc(/C=C/C(=O)N[C@@H](CN(C)C)c2ccccc2)c1 ZINC000160258910 197396071 /nfs/dbraw/zinc/39/60/71/197396071.db2.gz FWDCLZOMDFAFIH-BBVFFXRHSA-N 0 3 309.413 2.822 20 70 DFIDHN CC(C)OCCCN1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000160231818 197394326 /nfs/dbraw/zinc/39/43/26/197394326.db2.gz QGMZAIXAXWHHNU-INIZCTEOSA-N 0 3 323.412 2.837 20 70 DFIDHN CCN(CC)C(=O)C[C@@H](C)NCc1ccc(OC(C)C)nc1 ZINC000160093484 197384951 /nfs/dbraw/zinc/38/49/51/197384951.db2.gz ABDGIQAAXHTWLL-CQSZACIVSA-N 0 3 307.438 2.605 20 70 DFIDHN CCN1CCCN(C(=O)NCC(C)(C)c2cccc(F)c2)CC1 ZINC000159879707 197370608 /nfs/dbraw/zinc/37/06/08/197370608.db2.gz QJLSLQSKGNCGAU-UHFFFAOYSA-N 0 3 321.440 2.841 20 70 DFIDHN COc1ccc(OC)c(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159488740 197357419 /nfs/dbraw/zinc/35/74/19/197357419.db2.gz VIVGVJRZWRQZIF-XIRDDKMYSA-N 0 3 303.402 2.751 20 70 DFIDHN CC(C)C[C@H](N)C(=O)Nc1ccc(OCC2CCOCC2)cc1 ZINC000159412155 197351254 /nfs/dbraw/zinc/35/12/54/197351254.db2.gz YUHXWJSSPCGCIT-KRWDZBQOSA-N 0 3 320.433 2.804 20 70 DFIDHN O=C(Nc1ccccc1)NC1CCN(CCOCC2CC2)CC1 ZINC000159566326 145220152 /nfs/dbraw/zinc/22/01/52/145220152.db2.gz GDFSDQOPJMTPQY-UHFFFAOYSA-N 0 3 317.433 2.699 20 70 DFIDHN CCCCc1ccc(C(=O)CCC(=O)N2CCC[C@@H]2CN)cc1 ZINC000160383049 425980534 /nfs/dbraw/zinc/98/05/34/425980534.db2.gz PAMDAVHJCWEPKL-QGZVFWFLSA-N 0 3 316.445 2.942 20 70 DFIDHN CSc1cc(C(=O)N2CC[C@H](N3CCCC3)C2)ccc1F ZINC000160524192 425985263 /nfs/dbraw/zinc/98/52/63/425985263.db2.gz NILVHFSEPFPYGQ-ZDUSSCGKSA-N 0 3 308.422 2.858 20 70 DFIDHN CC1CCN(CCNC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)CC1 ZINC000160550911 425986186 /nfs/dbraw/zinc/98/61/86/425986186.db2.gz YXNDRQZHAUQKBK-HUUCEWRRSA-N 0 3 322.399 2.916 20 70 DFIDHN C[C@@H]1CCCN(CCNC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)C1 ZINC000160586166 425989095 /nfs/dbraw/zinc/98/90/95/425989095.db2.gz UVDWODJLQIEPMV-XNRPHZJLSA-N 0 3 322.399 2.916 20 70 DFIDHN C[C@@H]1CCO[C@@H]1C(=O)N1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000160641132 425991559 /nfs/dbraw/zinc/99/15/59/425991559.db2.gz YDCCHGLCAXXKJQ-RYRKJORJSA-N 0 3 316.445 2.534 20 70 DFIDHN Cc1c(CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cnn1C ZINC000160712999 425993402 /nfs/dbraw/zinc/99/34/02/425993402.db2.gz KCENPWPELNRMRE-GOSISDBHSA-N 0 3 313.401 2.741 20 70 DFIDHN Cc1nc(Cl)ccc1C(=O)N[C@H](C)CN1CCC[C@H](C)C1 ZINC000160753558 425994726 /nfs/dbraw/zinc/99/47/26/425994726.db2.gz CHCBSYNEIYXVEY-NWDGAFQWSA-N 0 3 309.841 2.894 20 70 DFIDHN CC(C)(CNCc1cc(F)cc(Cl)c1)N1CCOCC1 ZINC000160811443 425996900 /nfs/dbraw/zinc/99/69/00/425996900.db2.gz XPVJBFFFANSKLM-UHFFFAOYSA-N 0 3 300.805 2.680 20 70 DFIDHN CC(C)[C@@H](N)C(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 ZINC000160862428 425999148 /nfs/dbraw/zinc/99/91/48/425999148.db2.gz ULRGXOJFEKVAIB-SPLOXXLWSA-N 0 3 310.463 2.656 20 70 DFIDHN COc1ccc(CNC(=O)CN[C@H](C)CSC(C)(C)C)cc1 ZINC000160984492 426004253 /nfs/dbraw/zinc/00/42/53/426004253.db2.gz ZLNZXSLXQUWQIO-CYBMUJFWSA-N 0 3 324.490 2.821 20 70 DFIDHN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1ccc(OC(F)F)c(F)c1 ZINC000159525148 425961514 /nfs/dbraw/zinc/96/15/14/425961514.db2.gz UMLCRYDNYLJFCB-KOLCDFICSA-N 0 3 316.323 2.513 20 70 DFIDHN Cc1c(CNC[C@@H](c2ccco2)N2CCCCC2)cnn1C ZINC000159580574 425963222 /nfs/dbraw/zinc/96/32/22/425963222.db2.gz SAXVPQGGKZRRGB-INIZCTEOSA-N 0 3 302.422 2.638 20 70 DFIDHN CCN1CCCN(C(=O)NCC(C)(C)c2ccccc2)CC1 ZINC000159647364 425965597 /nfs/dbraw/zinc/96/55/97/425965597.db2.gz JHEGDTNMXHCPFP-UHFFFAOYSA-N 0 3 303.450 2.701 20 70 DFIDHN CCN1CCCN(C(=O)N[C@H]2c3ccccc3C[C@@H]2C)CC1 ZINC000159851458 425969529 /nfs/dbraw/zinc/96/95/29/425969529.db2.gz GIWFZKJRSMVHDX-WMLDXEAASA-N 0 3 301.434 2.657 20 70 DFIDHN CCN1CCCN(C(=O)N[C@@H](c2ncc(C)s2)C2CC2)CC1 ZINC000159911530 425970512 /nfs/dbraw/zinc/97/05/12/425970512.db2.gz DOWVDXZCINPCLO-CQSZACIVSA-N 0 3 322.478 2.640 20 70 DFIDHN Cc1cc(CN(C)C)cc(NC(=O)c2cnc3c(c2)ncn3C)c1 ZINC000161003556 426005301 /nfs/dbraw/zinc/00/53/01/426005301.db2.gz KAWCPGRZALELRM-UHFFFAOYSA-N 0 3 323.400 2.591 20 70 DFIDHN CCC(C)(C)NC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000160008077 425972453 /nfs/dbraw/zinc/97/24/53/425972453.db2.gz XYAXMFPKRRMYBE-HOCLYGCPSA-N 0 3 303.450 2.995 20 70 DFIDHN Cn1ccnc1CC1CCN(Cc2cnc3ccccn23)CC1 ZINC000160065422 425974752 /nfs/dbraw/zinc/97/47/52/425974752.db2.gz FTLWUVPLPBRMJM-UHFFFAOYSA-N 0 3 309.417 2.523 20 70 DFIDHN COc1ccccc1[C@@H]1CCN(C(=O)C2(N)CCCCC2)C1 ZINC000161441030 426024080 /nfs/dbraw/zinc/02/40/80/426024080.db2.gz NFGQRXKLCRAYPF-CQSZACIVSA-N 0 3 302.418 2.673 20 70 DFIDHN COc1ccccc1[C@H]1CCN(C(=O)C2(N)CCCCC2)C1 ZINC000161441165 426024478 /nfs/dbraw/zinc/02/44/78/426024478.db2.gz NFGQRXKLCRAYPF-AWEZNQCLSA-N 0 3 302.418 2.673 20 70 DFIDHN Cc1nc(CC(=O)NCCN(C)Cc2ccccc2)c(C)s1 ZINC000161460075 426025971 /nfs/dbraw/zinc/02/59/71/426025971.db2.gz QIJIAKBPKGSEEH-UHFFFAOYSA-N 0 3 317.458 2.551 20 70 DFIDHN CS[C@H](C)CC(=O)N(CCN(C)C)Cc1cccc(F)c1 ZINC000161505773 426026316 /nfs/dbraw/zinc/02/63/16/426026316.db2.gz JZFQLMKSHHYLTN-CYBMUJFWSA-N 0 3 312.454 2.858 20 70 DFIDHN CC[C@@H](C)OCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000161346676 426020079 /nfs/dbraw/zinc/02/00/79/426020079.db2.gz DBZZYOWNKRMXHZ-LZLYRXPVSA-N 0 3 318.461 2.828 20 70 DFIDHN COc1ccc(C)cc1[C@H](C)N[C@H]1CCc2nc(C)nn2C1 ZINC000160423696 274107588 /nfs/dbraw/zinc/10/75/88/274107588.db2.gz WYQHQRLCQKZOPS-JSGCOSHPSA-N 0 3 300.406 2.569 20 70 DFIDHN Cc1cc(C)cc(-c2nnc(NC(=O)[C@@H](N)C(C)C)s2)c1 ZINC000160118128 280412860 /nfs/dbraw/zinc/41/28/60/280412860.db2.gz VKGDQDGECHGFFM-LBPRGKRZSA-N 0 3 304.419 2.744 20 70 DFIDHN CC[C@H](c1ccncc1)N(C)C(=O)NC[C@H]1CCCN(C)C1 ZINC000159457022 295376988 /nfs/dbraw/zinc/37/69/88/295376988.db2.gz MDBCHSBKVJKPMK-GDBMZVCRSA-N 0 3 304.438 2.516 20 70 DFIDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C1CCC(C)(C)CC1 ZINC000159617833 295378997 /nfs/dbraw/zinc/37/89/97/295378997.db2.gz SMRLYWJXGJKBQO-MRXNPFEDSA-N 0 3 310.482 2.772 20 70 DFIDHN CCC(CC)(CNCc1cc([N+](=O)[O-])ccc1OC)C(=O)OC ZINC000159660734 295379858 /nfs/dbraw/zinc/37/98/58/295379858.db2.gz PHXBGSOSKLKSBC-UHFFFAOYSA-N 0 3 324.377 2.672 20 70 DFIDHN CCN1CCCN(C(=O)N[C@H]2CCc3c2cccc3C)CC1 ZINC000159825121 295382153 /nfs/dbraw/zinc/38/21/53/295382153.db2.gz WAXRMWZMDIWMFI-KRWDZBQOSA-N 0 3 301.434 2.720 20 70 DFIDHN CC(C)N(CCc1nccs1)Cc1ccc(C(N)=O)cc1 ZINC000159839313 295382661 /nfs/dbraw/zinc/38/26/61/295382661.db2.gz WFNOCSFUIDJDLU-UHFFFAOYSA-N 0 3 303.431 2.695 20 70 DFIDHN Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NCCN1CCCCCC1 ZINC000159867147 295383214 /nfs/dbraw/zinc/38/32/14/295383214.db2.gz HTUPWLHVRORCIS-ZDUSSCGKSA-N 0 3 306.454 2.512 20 70 DFIDHN CS[C@H](C)CC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 ZINC000160026687 295385589 /nfs/dbraw/zinc/38/55/89/295385589.db2.gz NLINLPUDLZBIDE-CQSZACIVSA-N 0 3 319.474 2.590 20 70 DFIDHN CC(=O)Nc1ccccc1CNCCC(=O)Nc1ccccc1 ZINC000160450335 295391538 /nfs/dbraw/zinc/39/15/38/295391538.db2.gz GCSJLIKAQZUQDC-UHFFFAOYSA-N 0 3 311.385 2.763 20 70 DFIDHN Cc1cnc(N2CCC[C@@H]2CN2CCCCC2)c([N+](=O)[O-])c1 ZINC000160453116 302349370 /nfs/dbraw/zinc/34/93/70/302349370.db2.gz BHONVUZXEJNRSL-CQSZACIVSA-N 0 3 304.394 2.753 20 70 DFIDHN C[C@@H]1CCO[C@H]1C(=O)N(C)C1CCN(Cc2ccccc2)CC1 ZINC000160376898 524542302 /nfs/dbraw/zinc/54/23/02/524542302.db2.gz LLBHBHLQNMJRHD-CRAIPNDOSA-N 0 3 316.445 2.534 20 70 DFIDHN c1nn(-c2ccccc2)cc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159549724 186126662 /nfs/dbraw/zinc/12/66/62/186126662.db2.gz KRIQRBATXYPSKJ-KSZLIROESA-N 0 3 309.413 2.920 20 70 DFIDHN CC(C)(CCO)NCc1cc(Br)cc2c1OCC2 ZINC000159551017 186127184 /nfs/dbraw/zinc/12/71/84/186127184.db2.gz YUJFETCCQBUUAU-UHFFFAOYSA-N 0 3 314.223 2.635 20 70 DFIDHN CCS(=O)(=O)c1ccc([C@@H](C)NCCCSC)cc1 ZINC000159590136 186129584 /nfs/dbraw/zinc/12/95/84/186129584.db2.gz UVJGZDKHSXMYRL-GFCCVEGCSA-N 0 3 301.477 2.884 20 70 DFIDHN c1nn(Cc2ccccc2)cc1CN[C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159682442 186134995 /nfs/dbraw/zinc/13/49/95/186134995.db2.gz RPADCYRHBCRQEH-FHWLQOOXSA-N 0 3 323.440 2.979 20 70 DFIDHN CC(C)c1csc(CNC(=O)N(CCN(C)C)C(C)C)n1 ZINC000159722454 186137271 /nfs/dbraw/zinc/13/72/71/186137271.db2.gz WEACSXRPASRDEN-UHFFFAOYSA-N 0 3 312.483 2.748 20 70 DFIDHN CCN1CCCC[C@@H]1CNC(=O)[C@@H](C)Cc1ccccc1F ZINC000159769086 398966548 /nfs/dbraw/zinc/96/65/48/398966548.db2.gz YAMNDOFIERWYBU-GOEBONIOSA-N 0 3 306.425 2.995 20 70 DFIDHN CCN(C(=O)NCCSC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000159946087 398968032 /nfs/dbraw/zinc/96/80/32/398968032.db2.gz UBQNFDCWOPVSDX-INIZCTEOSA-N 0 3 321.490 2.655 20 70 DFIDHN CSC[C@@H](CCO)N[C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000160346913 398970535 /nfs/dbraw/zinc/97/05/35/398970535.db2.gz CJDOFVWZSZJZJJ-WMLDXEAASA-N 0 3 319.474 2.696 20 70 DFIDHN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2ccncc2)CC1 ZINC000161369091 398975839 /nfs/dbraw/zinc/97/58/39/398975839.db2.gz IXVYVGVYXQJTRV-CQSZACIVSA-N 0 3 312.373 2.873 20 70 DFIDHN O=[N+]([O-])c1ccccc1OCCN1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160750692 197436133 /nfs/dbraw/zinc/43/61/33/197436133.db2.gz IIJYDGHPNBNZJT-RHSMWYFYSA-N 0 3 320.389 2.601 20 70 DFIDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)C1CCC1 ZINC000159920967 197373361 /nfs/dbraw/zinc/37/33/61/197373361.db2.gz SKJRIXUSKIBOPQ-PBHICJAKSA-N 0 3 301.434 2.701 20 70 DFIDHN CCN1CCCN(C(=O)NC[C@H](C)c2ccc(C)cc2)CC1 ZINC000159888524 197371147 /nfs/dbraw/zinc/37/11/47/197371147.db2.gz FPLNKZFFGZSKNF-INIZCTEOSA-N 0 3 303.450 2.836 20 70 DFIDHN COCCOC[C@@H]1CCN(CCC(=O)c2ccc(C)cc2)C1 ZINC000159854967 197369320 /nfs/dbraw/zinc/36/93/20/197369320.db2.gz JZNNYCXGGGLJEC-MRXNPFEDSA-N 0 3 305.418 2.553 20 70 DFIDHN CCN1CCCN(C(=O)NCC(C)(C)c2cccs2)CC1 ZINC000159863064 197369377 /nfs/dbraw/zinc/36/93/77/197369377.db2.gz MIHAITDBKWYKDN-UHFFFAOYSA-N 0 3 309.479 2.763 20 70 DFIDHN CSC[C@@H](C)NC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000160419579 295390966 /nfs/dbraw/zinc/39/09/66/295390966.db2.gz NGLLFDAIUJKLRL-CQSZACIVSA-N 0 3 315.527 2.891 20 70 DFIDHN CC(C)[C@H](N)C(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC000159510328 197359308 /nfs/dbraw/zinc/35/93/08/197359308.db2.gz XLJOBUBTQYJWEO-JKSUJKDBSA-N 0 3 324.852 2.595 20 70 DFIDHN Cn1c(Cl)cnc1CNCCc1cccc2cccnc21 ZINC000159394975 197350582 /nfs/dbraw/zinc/35/05/82/197350582.db2.gz SWDSMQRNGZKAJJ-UHFFFAOYSA-N 0 3 300.793 2.954 20 70 DFIDHN Cc1nccc(NC(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)c1Cl ZINC000159375037 542717359 /nfs/dbraw/zinc/71/73/59/542717359.db2.gz WWYOPVFTFDNGBV-GXFFZTMASA-N 0 3 310.829 2.894 20 70 DFIDHN Cc1cnn(-c2ccc(NC(=O)[C@H](N)CC(C)C)cc2F)c1 ZINC000159774566 542719512 /nfs/dbraw/zinc/71/95/12/542719512.db2.gz OKAVTCNKXRMSBL-CQSZACIVSA-N 0 3 304.369 2.632 20 70 DFIDHN C=C(C)CN1CCC(NC(=O)C[C@@H](C)c2ccncc2)CC1 ZINC000160071140 542721188 /nfs/dbraw/zinc/72/11/88/542721188.db2.gz WLVYTNHTGQSJEG-OAHLLOKOSA-N 0 3 301.434 2.732 20 70 DFIDHN Cc1ccc(-c2n[nH]c(NC(=O)CCCn3ccnc3)c2C)o1 ZINC000161484737 542729564 /nfs/dbraw/zinc/72/95/64/542729564.db2.gz YMZNLAYESROWFR-UHFFFAOYSA-N 0 3 313.361 2.902 20 70 DFIDHN CCN(CCCCS(C)(=O)=O)Cc1cccc(Cl)c1 ZINC000161466745 542729918 /nfs/dbraw/zinc/72/99/18/542729918.db2.gz OIMSPJABMDCONB-UHFFFAOYSA-N 0 3 303.855 2.987 20 70 DFIDHN O=C1c2ccccc2C(=O)N1CCNCc1ccc(Cl)cc1 ZINC000217388535 542877506 /nfs/dbraw/zinc/87/75/06/542877506.db2.gz KJMMLJJTPQYBHI-UHFFFAOYSA-N 0 3 314.772 2.726 20 70 DFIDHN CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc([O-])c(F)c1 ZINC000160439958 145220840 /nfs/dbraw/zinc/22/08/40/145220840.db2.gz PYLHSIBSKKLRBB-CQSZACIVSA-N 0 3 323.412 2.595 20 70 DFIDHN CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCc1ccc([O-])c(F)c1 ZINC000160439958 145220844 /nfs/dbraw/zinc/22/08/44/145220844.db2.gz PYLHSIBSKKLRBB-CQSZACIVSA-N 0 3 323.412 2.595 20 70 DFIDHN CSC[C@](C)(O)CNCc1cc(Br)ccc1F ZINC000217850386 146000791 /nfs/dbraw/zinc/00/07/91/146000791.db2.gz BINHGMLIFYDFPO-GFCCVEGCSA-N 0 3 322.243 2.792 20 70 DFIDHN C[C@H](C(=O)N(C)CCC1CCOCC1)[C@@H](N)c1ccccc1 ZINC000160353221 425980823 /nfs/dbraw/zinc/98/08/23/425980823.db2.gz CUDDDGSZUXFKRY-WMLDXEAASA-N 0 3 304.434 2.598 20 70 DFIDHN CC(C)(C)c1ccc(C(=O)NC[C@@H](O)CN2CCCCC2)cc1 ZINC000160405659 425981608 /nfs/dbraw/zinc/98/16/08/425981608.db2.gz PNCFWTNLCAEXFO-QGZVFWFLSA-N 0 3 318.461 2.561 20 70 DFIDHN Cc1nc2n(n1)C[C@@H](N[C@H](C)c1ccccc1OC(F)F)CC2 ZINC000160416931 425981704 /nfs/dbraw/zinc/98/17/04/425981704.db2.gz RUGLVTVADYMYFC-PWSUYJOCSA-N 0 3 322.359 2.854 20 70 DFIDHN CC(C)CN1CCC[C@@H]1CNC(=O)CCC(=O)c1cccs1 ZINC000160573973 425987875 /nfs/dbraw/zinc/98/78/75/425987875.db2.gz NKWIVVAJLABCFF-CQSZACIVSA-N 0 3 322.474 2.948 20 70 DFIDHN CCc1ccc([C@H](CC)NCC(=O)NCC(F)(F)F)cc1 ZINC000160564203 425987970 /nfs/dbraw/zinc/98/79/70/425987970.db2.gz LRVQWQGTTSBKCA-ZDUSSCGKSA-N 0 3 302.340 2.968 20 70 DFIDHN CC(C)[C@@H](C(=O)NCCc1csc(C(C)(C)C)n1)N(C)C ZINC000160697382 425993134 /nfs/dbraw/zinc/99/31/34/425993134.db2.gz QNBBLPKZVSHUPT-ZDUSSCGKSA-N 0 3 311.495 2.686 20 70 DFIDHN Cc1nc(Cl)ccc1C(=O)N[C@@H](C)CN1CCC[C@H](C)C1 ZINC000160753425 425994466 /nfs/dbraw/zinc/99/44/66/425994466.db2.gz CHCBSYNEIYXVEY-RYUDHWBXSA-N 0 3 309.841 2.894 20 70 DFIDHN CCCCNC(=O)[C@@H](C)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000160790446 425996681 /nfs/dbraw/zinc/99/66/81/425996681.db2.gz NUJOISNCBAYQCO-LSDHHAIUSA-N 0 3 314.433 2.828 20 70 DFIDHN O=C(NC1CCN(C2CC2)CC1)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000159369019 425959305 /nfs/dbraw/zinc/95/93/05/425959305.db2.gz IBZYWUXTJHAJRP-ZBFHGGJFSA-N 0 3 320.383 2.811 20 70 DFIDHN COc1ccc2c(c1)[C@@H](NCCCN1CCCC1=O)CCCO2 ZINC000159476447 425960619 /nfs/dbraw/zinc/96/06/19/425960619.db2.gz HSHUKRHSBXRUIZ-INIZCTEOSA-N 0 3 318.417 2.511 20 70 DFIDHN COc1cc(CN2C[C@@H](C(N)=O)CC[C@@H]2C)ccc1OC(C)C ZINC000159532879 425961684 /nfs/dbraw/zinc/96/16/84/425961684.db2.gz YHXDDJKGUNXNNU-ZFWWWQNUSA-N 0 3 320.433 2.568 20 70 DFIDHN C=CCOc1ccc(CN2C[C@H](C(N)=O)CC[C@H]2C)cc1Cl ZINC000159516398 425962261 /nfs/dbraw/zinc/96/22/61/425962261.db2.gz KALKNGISZSYSLI-TZMCWYRMSA-N 0 3 322.836 2.991 20 70 DFIDHN CN(Cc1ccnc(-c2ccc(F)cc2)n1)C[C@@H]1CCC[C@@H]1O ZINC000159625097 425964092 /nfs/dbraw/zinc/96/40/92/425964092.db2.gz YGENYFWEPNKEMX-YOEHRIQHSA-N 0 3 315.392 2.876 20 70 DFIDHN CC(C)c1ccc(CN2C[C@H](C(N)=O)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000159605387 425964440 /nfs/dbraw/zinc/96/44/40/425964440.db2.gz KAXZVXFYBQVIQO-TZMCWYRMSA-N 0 3 319.405 2.804 20 70 DFIDHN COc1cccc2c1CC[C@@H]2NC(=O)N(CCN(C)C)C(C)C ZINC000159662605 425965217 /nfs/dbraw/zinc/96/52/17/425965217.db2.gz PRFNTJJYRIJHLE-INIZCTEOSA-N 0 3 319.449 2.664 20 70 DFIDHN Cc1cc(C#N)ccc1C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000159935023 425970237 /nfs/dbraw/zinc/97/02/37/425970237.db2.gz AHSIMGYTTJHUJM-SFHVURJKSA-N 0 3 321.424 2.769 20 70 DFIDHN CCOCCCN1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC000159893313 425970360 /nfs/dbraw/zinc/97/03/60/425970360.db2.gz RYQPNDMESBTGIU-UHFFFAOYSA-N 0 3 310.463 2.677 20 70 DFIDHN CCN1CCCN(C(=O)NC[C@H](C)Cc2cccs2)CC1 ZINC000159909255 425970880 /nfs/dbraw/zinc/97/08/80/425970880.db2.gz WKAICLMQJYFKTI-CQSZACIVSA-N 0 3 309.479 2.664 20 70 DFIDHN CC(C)N(CCc1nccs1)C[C@H](O)COc1ccccc1 ZINC000159952761 425971706 /nfs/dbraw/zinc/97/17/06/425971706.db2.gz VXAMDNCMSIKDKD-HNNXBMFYSA-N 0 3 320.458 2.836 20 70 DFIDHN CN(CCN1CCO[C@H](c2ccco2)C1)Cc1ccc(F)cc1 ZINC000160099439 425974590 /nfs/dbraw/zinc/97/45/90/425974590.db2.gz HSAZFSAKNOCDPQ-SFHVURJKSA-N 0 3 318.392 2.924 20 70 DFIDHN CCCCN(C(=O)C[C@@H]1CNCCO1)[C@H](C)c1ccccc1 ZINC000160183732 425976105 /nfs/dbraw/zinc/97/61/05/425976105.db2.gz CNONZTPSPBQCFV-NVXWUHKLSA-N 0 3 304.434 2.755 20 70 DFIDHN COc1cc(C)c([C@H](C)N[C@@H](CCO)CSC)cc1OC ZINC000160187605 425976558 /nfs/dbraw/zinc/97/65/58/425976558.db2.gz SFXUMBVWYUKSMZ-STQMWFEESA-N 0 3 313.463 2.777 20 70 DFIDHN C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)CCC1CCCC1 ZINC000160350207 425979475 /nfs/dbraw/zinc/97/94/75/425979475.db2.gz GBJQJYWHGOTPLB-CYBMUJFWSA-N 0 3 310.463 2.907 20 70 DFIDHN CC[C@H](C)NC(=O)c1cccc(CN[C@H](COC)C(C)C)c1 ZINC000161114271 426008671 /nfs/dbraw/zinc/00/86/71/426008671.db2.gz YBXZDCPEKMQBLT-WMLDXEAASA-N 0 3 306.450 2.976 20 70 DFIDHN CCc1c(C(=O)N[C@H]2CN(C(C)C)C[C@@H]2C)[nH]c(C)c1C(C)=O ZINC000161113472 426008679 /nfs/dbraw/zinc/00/86/79/426008679.db2.gz USQODKFGOGWTJP-NHYWBVRUSA-N 0 3 319.449 2.547 20 70 DFIDHN CSCC[C@H](N)C(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000161150337 426009971 /nfs/dbraw/zinc/00/99/71/426009971.db2.gz CNKCZUBTFACNBY-UFBFGSQYSA-N 0 3 304.818 2.737 20 70 DFIDHN CC(C)CCn1ccc(NC(=O)N[C@@H](C)CN2CCCCC2)n1 ZINC000161231567 426013553 /nfs/dbraw/zinc/01/35/53/426013553.db2.gz WQKHPAAHRWUIJO-HNNXBMFYSA-N 0 3 321.469 2.925 20 70 DFIDHN CCC[C@H](C(=O)NC[C@@H](c1ccco1)N1CCCCC1)N(C)C ZINC000161224804 426013929 /nfs/dbraw/zinc/01/39/29/426013929.db2.gz UAJBCTDAQLNHBQ-CVEARBPZSA-N 0 3 321.465 2.653 20 70 DFIDHN CCO[C@@H]1C[C@@H](N[C@@H]2CCN(c3ccccc3F)C2=O)C1(C)C ZINC000161287842 426017500 /nfs/dbraw/zinc/01/75/00/426017500.db2.gz LTCIRSFIWHJVKF-FVQBIDKESA-N 0 3 320.408 2.724 20 70 DFIDHN Cc1ccc(C(=O)CCN2CCCC[C@H]2[C@H]2CNC(=O)C2)cc1 ZINC000161300537 426017723 /nfs/dbraw/zinc/01/77/23/426017723.db2.gz WWQAKTGHWXBEAY-SJORKVTESA-N 0 3 314.429 2.558 20 70 DFIDHN CCN(CCNC(=O)Nc1ccn(CCC(C)C)n1)C1CC1 ZINC000161312926 426018283 /nfs/dbraw/zinc/01/82/83/426018283.db2.gz DDIVHBSCAIAQSR-UHFFFAOYSA-N 0 3 307.442 2.535 20 70 DFIDHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000161350075 426021460 /nfs/dbraw/zinc/02/14/60/426021460.db2.gz JYPRGNVNKOCMDT-YOEHRIQHSA-N 0 3 322.412 2.527 20 70 DFIDHN CCc1ccc([C@@H](CNC(=O)[C@@H]2CCCCO2)N(C)C)cc1 ZINC000161395570 426022057 /nfs/dbraw/zinc/02/20/57/426022057.db2.gz QJPBJEBPDDIRLF-SJORKVTESA-N 0 3 304.434 2.537 20 70 DFIDHN CCc1c(C)nc2ccccc2c1N1CCS(=O)(=O)[C@@H](C)C1 ZINC000160754972 276682789 /nfs/dbraw/zinc/68/27/89/276682789.db2.gz BQTHTDMYKVHILO-LBPRGKRZSA-N 0 3 318.442 2.729 20 70 DFIDHN Cc1ccc(CN2CCCC[C@H]2CCNS(C)(=O)=O)c(C)c1 ZINC000159422215 295376638 /nfs/dbraw/zinc/37/66/38/295376638.db2.gz CSSHEQJJWURFTF-KRWDZBQOSA-N 0 3 324.490 2.597 20 70 DFIDHN Cc1ccc(C[C@H](C)N(C)C(=O)NC[C@H]2CCCN(C)C2)cc1 ZINC000159445630 295376783 /nfs/dbraw/zinc/37/67/83/295376783.db2.gz VFFMHXUKLOXPCH-FUHWJXTLSA-N 0 3 317.477 2.909 20 70 DFIDHN COc1cc(C)cc(CNC(=O)N[C@@H](C)CN2CCCCC2)c1 ZINC000159612171 295379176 /nfs/dbraw/zinc/37/91/76/295379176.db2.gz DVJUSENBVZKSKX-HNNXBMFYSA-N 0 3 319.449 2.677 20 70 DFIDHN C[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N(C)C)C[C@H]1C ZINC000159716828 295380811 /nfs/dbraw/zinc/38/08/11/295380811.db2.gz SZYZOKVISBNZGX-INMHGKMJSA-N 0 3 303.450 2.977 20 70 DFIDHN Cc1cccc([C@@H]2CCCN2CCC(=O)N2CCCCC2)n1 ZINC000159853262 295382743 /nfs/dbraw/zinc/38/27/43/295382743.db2.gz DURHSCRHJVHZIH-KRWDZBQOSA-N 0 3 301.434 2.930 20 70 DFIDHN Cc1n[nH]c(C)c1[C@H](C)CC(=O)NCCN1CCCCCC1 ZINC000159867278 295383128 /nfs/dbraw/zinc/38/31/28/295383128.db2.gz HTUPWLHVRORCIS-CYBMUJFWSA-N 0 3 306.454 2.512 20 70 DFIDHN CCCCn1ncc(NC(=O)NCCN2CCC(C)CC2)c1C ZINC000159902169 295383432 /nfs/dbraw/zinc/38/34/32/295383432.db2.gz LLUWGRQYGLNJNI-UHFFFAOYSA-N 0 3 321.469 2.845 20 70 DFIDHN Cc1ncc(CNc2ccc(OC3CCN(C)CC3)nc2)s1 ZINC000160064709 295386234 /nfs/dbraw/zinc/38/62/34/295386234.db2.gz OTACRDAIKNFPTK-UHFFFAOYSA-N 0 3 318.446 2.932 20 70 DFIDHN C[C@H](CN1CCCCC1)NC(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000160109419 295386359 /nfs/dbraw/zinc/38/63/59/295386359.db2.gz FDIMEFNTVQUZSU-CYBMUJFWSA-N 0 3 317.408 2.840 20 70 DFIDHN Cc1ccc2c(c1)[C@H](NC(=O)[C@H](C)N1[C@H](C)CC[C@@H]1C)CO2 ZINC000160132771 295386841 /nfs/dbraw/zinc/38/68/41/295386841.db2.gz KPPJUYGTLLASNV-KNCOVGOOSA-N 0 3 302.418 2.806 20 70 DFIDHN CCCCn1ncc(NC(=O)N2CC[C@@H](N3CCCC3)C2)c1C ZINC000160145968 295387348 /nfs/dbraw/zinc/38/73/48/295387348.db2.gz VYEKRUMLNVYPNU-OAHLLOKOSA-N 0 3 319.453 2.694 20 70 DFIDHN C[C@@H]1C[C@@H](NC(=O)N(C)CC(F)F)CN1Cc1ccccc1 ZINC000160195818 295387753 /nfs/dbraw/zinc/38/77/53/295387753.db2.gz BMBNRNHSHYFOJC-TZMCWYRMSA-N 0 3 311.376 2.556 20 70 DFIDHN C[C@H]1CCCN(CCNC(=O)Cc2c[nH]c3cc(F)ccc23)C1 ZINC000160259275 295388721 /nfs/dbraw/zinc/38/87/21/295388721.db2.gz SYBWVKLRKZPKFV-ZDUSSCGKSA-N 0 3 317.408 2.698 20 70 DFIDHN N#Cc1ccc(C(=O)N2CC[C@@H](N3CCCC3)C2)cc1Cl ZINC000160530472 295392590 /nfs/dbraw/zinc/39/25/90/295392590.db2.gz LTQPDSFDFBWUBR-CQSZACIVSA-N 0 3 303.793 2.522 20 70 DFIDHN CC(C)(C)OC(=O)NCc1ccc(CN2CCC(O)CC2)cc1 ZINC000161134732 295399152 /nfs/dbraw/zinc/39/91/52/295399152.db2.gz BFSGUZAWHDRFQQ-UHFFFAOYSA-N 0 3 320.433 2.668 20 70 DFIDHN CCCN1CCCN(C(=O)[C@H](C)Oc2cccc(F)c2)CC1 ZINC000160399321 519850560 /nfs/dbraw/zinc/85/05/60/519850560.db2.gz PGTTZGFYMGQSDU-AWEZNQCLSA-N 0 3 308.397 2.537 20 70 DFIDHN CCCOc1cc(CN2C[C@H](C(N)=O)CC[C@@H]2C)ccc1OC ZINC000159642694 520306918 /nfs/dbraw/zinc/30/69/18/520306918.db2.gz XPJJHPNVXVZZHU-DZGCQCFKSA-N 0 3 320.433 2.570 20 70 DFIDHN COC[C@H](NCc1ccc(N2CCC(C)CC2)nc1)C1CC1 ZINC000160514625 522750893 /nfs/dbraw/zinc/75/08/93/522750893.db2.gz HKHFNJHULFPNOL-KRWDZBQOSA-N 0 3 303.450 2.833 20 70 DFIDHN COc1cc(O)c(CN2CCS[C@H](C(C)C)C2)cc1OC ZINC000160318914 522778503 /nfs/dbraw/zinc/77/85/03/522778503.db2.gz WMRADIYALDLVQJ-INIZCTEOSA-N 0 3 311.447 2.983 20 70 DFIDHN CSCC[C@@H](N)C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000160310064 525545849 /nfs/dbraw/zinc/54/58/49/525545849.db2.gz RBWUBYKMUDKSJP-LLVKDONJSA-N 0 3 306.353 2.810 20 70 DFIDHN Cc1nc2n(n1)C[C@H](N[C@@H]1CCc3cc(Cl)ccc31)CC2 ZINC000160531282 282126707 /nfs/dbraw/zinc/12/67/07/282126707.db2.gz RGZJLRSLSCLECV-UKRRQHHQSA-N 0 3 302.809 2.832 20 70 DFIDHN c1nn(-c2ccccc2)cc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159550013 186126288 /nfs/dbraw/zinc/12/62/88/186126288.db2.gz KRIQRBATXYPSKJ-KURKYZTESA-N 0 3 309.413 2.920 20 70 DFIDHN COC[C@@H](C)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000159592207 186129834 /nfs/dbraw/zinc/12/98/34/186129834.db2.gz PEIHEIGOPYKJGT-QAPCUYQASA-N 0 3 312.413 2.861 20 70 DFIDHN Cc1ccc(C)c(NC(=O)[C@H](C)N(C)C[C@@H]2CCC[C@@H]2O)c1 ZINC000159719242 186137399 /nfs/dbraw/zinc/13/73/99/186137399.db2.gz OXNQJWNLBVLIKL-ZOBUZTSGSA-N 0 3 304.434 2.723 20 70 DFIDHN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2ccncc2)CC1 ZINC000161368965 398975640 /nfs/dbraw/zinc/97/56/40/398975640.db2.gz IXVYVGVYXQJTRV-AWEZNQCLSA-N 0 3 312.373 2.873 20 70 DFIDHN O=C(N[C@H](CN1CCCC1)c1ccccc1)[C@H]1CCCCO1 ZINC000160875689 284160445 /nfs/dbraw/zinc/16/04/45/284160445.db2.gz FXWWRWVNAQNGRP-IAGOWNOFSA-N 0 3 302.418 2.509 20 70 DFIDHN C[C@H](CC(=O)N1CCCCCC1)NC[C@@](C)(O)c1ccsc1 ZINC000160055324 197382431 /nfs/dbraw/zinc/38/24/31/197382431.db2.gz FYAVAMBAUDOEHV-RHSMWYFYSA-N 0 3 324.490 2.726 20 70 DFIDHN CSCC[C@H](N)C(=O)NCCOc1cccc(C(C)(C)C)c1 ZINC000160108766 197386445 /nfs/dbraw/zinc/38/64/45/197386445.db2.gz VVIPQLOQEJUSPN-HNNXBMFYSA-N 0 3 324.490 2.560 20 70 DFIDHN Cc1nc(CCNC(=O)[C@@H](C)N2[C@@H](C)CC[C@@H]2C)sc1C ZINC000160093769 197385517 /nfs/dbraw/zinc/38/55/17/197385517.db2.gz YTLLVUYFQOCMRI-GMXVVIOVSA-N 0 3 309.479 2.680 20 70 DFIDHN CCN(Cc1ccc(OC)c(OC)c1)C(=O)[C@@H](C(C)C)N(C)C ZINC000160007397 197379463 /nfs/dbraw/zinc/37/94/63/197379463.db2.gz AFPXGGZLHBUUKY-QGZVFWFLSA-N 0 3 322.449 2.639 20 70 DFIDHN C[C@@H](NCCC1CCN(CC(F)(F)F)CC1)c1cnccn1 ZINC000159991003 197378877 /nfs/dbraw/zinc/37/88/77/197378877.db2.gz BUHQIBLWDPLARP-GFCCVEGCSA-N 0 3 316.371 2.792 20 70 DFIDHN CN(C)C[C@@H](NC(=O)NC[C@]1(C)CCCS1)c1ccccc1 ZINC000159442358 197354598 /nfs/dbraw/zinc/35/45/98/197354598.db2.gz PALQLQWVZPWOLY-WBVHZDCISA-N 0 3 321.490 2.874 20 70 DFIDHN CC(C)OCCNC[C@H](O)COc1c(Cl)cccc1Cl ZINC000160210291 542722201 /nfs/dbraw/zinc/72/22/01/542722201.db2.gz HPMCVYXEHLADIY-NSHDSACASA-N 0 3 322.232 2.748 20 70 DFIDHN Cc1cccc(NC(=O)[C@@H](C)N2CCN(c3ccncc3)CC2)c1 ZINC000161324594 542728860 /nfs/dbraw/zinc/72/88/60/542728860.db2.gz XCHJFJXJZGCZSR-MRXNPFEDSA-N 0 3 324.428 2.539 20 70 DFIDHN CC[C@@H](CC(=O)NC[C@@H](O)CN1CCCCC1)c1ccccc1 ZINC000160365532 425980498 /nfs/dbraw/zinc/98/04/98/425980498.db2.gz UNIPZXKZKJUATM-FUHWJXTLSA-N 0 3 318.461 2.533 20 70 DFIDHN CC[C@H](N[C@@H]1CCc2nc(C)nn2C1)c1cccc(OC)c1 ZINC000160353356 425981020 /nfs/dbraw/zinc/98/10/20/425981020.db2.gz VRMOHRMMTFUXPP-ZBFHGGJFSA-N 0 3 300.406 2.651 20 70 DFIDHN CC(C)CN1CCC[C@@H]1CNC(=O)c1cc2c(s1)CCOC2 ZINC000160407519 425981671 /nfs/dbraw/zinc/98/16/71/425981671.db2.gz XLBKNEATKSSRKI-CQSZACIVSA-N 0 3 322.474 2.671 20 70 DFIDHN Cc1cccc(C)c1CN[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000160415269 425982345 /nfs/dbraw/zinc/98/23/45/425982345.db2.gz URDDLWMXGJDSNI-AWEZNQCLSA-N 0 3 318.442 2.802 20 70 DFIDHN Cc1nc2n(n1)C[C@H](N[C@H](C)c1cccc(OC(F)F)c1)CC2 ZINC000160419959 425982363 /nfs/dbraw/zinc/98/23/63/425982363.db2.gz NVUXVCRGEYBJOO-ZWNOBZJWSA-N 0 3 322.359 2.854 20 70 DFIDHN COc1ccc(CN2CCN(C3CCOCC3)CC2)cc1Cl ZINC000160479484 425983742 /nfs/dbraw/zinc/98/37/42/425983742.db2.gz XXQFDFKHSOFGDL-UHFFFAOYSA-N 0 3 324.852 2.645 20 70 DFIDHN C[C@H]1CCCN(CCNC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)C1 ZINC000160585510 425988181 /nfs/dbraw/zinc/98/81/81/425988181.db2.gz ISJOILADENHUQU-NWANDNLSSA-N 0 3 322.399 2.916 20 70 DFIDHN C[C@H]1CCCN(CCNC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)C1 ZINC000160586278 425988320 /nfs/dbraw/zinc/98/83/20/425988320.db2.gz UVDWODJLQIEPMV-JGGQBBKZSA-N 0 3 322.399 2.916 20 70 DFIDHN Cc1nc(Cl)ccc1C(=O)NCCN(C)Cc1ccccc1 ZINC000160676832 425992558 /nfs/dbraw/zinc/99/25/58/425992558.db2.gz MXSPQAWGGWZNRM-UHFFFAOYSA-N 0 3 317.820 2.905 20 70 DFIDHN CC[C@H](NCCNC(=O)c1cccnc1)c1ccc(F)cc1 ZINC000160757252 425995600 /nfs/dbraw/zinc/99/56/00/425995600.db2.gz OOUFMFRVTBVMGV-INIZCTEOSA-N 0 3 301.365 2.691 20 70 DFIDHN C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160805018 425996641 /nfs/dbraw/zinc/99/66/41/425996641.db2.gz SIXJHOLJBFQQDF-FSNPWBFUSA-N 0 3 322.493 2.506 20 70 DFIDHN CC(C)N(C)C(=O)[C@@H](C)N[C@@H](C)c1ccccc1-n1cccn1 ZINC000160863900 425998573 /nfs/dbraw/zinc/99/85/73/425998573.db2.gz OTJKRHLJUBHHSK-LSDHHAIUSA-N 0 3 314.433 2.778 20 70 DFIDHN Cc1ccc(C(=O)CCN[C@]2(CO)CCc3ccccc32)cc1 ZINC000160896126 426000788 /nfs/dbraw/zinc/00/07/88/426000788.db2.gz MVYXSNQHXFHNLD-FQEVSTJZSA-N 0 3 309.409 2.991 20 70 DFIDHN Cc1nn(C)cc1CNCCc1ccc(Br)s1 ZINC000160953985 426003073 /nfs/dbraw/zinc/00/30/73/426003073.db2.gz VQODMMKUMFLVGO-UHFFFAOYSA-N 0 3 314.252 2.885 20 70 DFIDHN Cc1ccc(C(=O)N2CCC(N[C@@H](C)c3cnccn3)CC2)cc1 ZINC000160993309 426004446 /nfs/dbraw/zinc/00/44/46/426004446.db2.gz YZYQWZLNCKSXAK-HNNXBMFYSA-N 0 3 324.428 2.740 20 70 DFIDHN CCn1cnnc1[C@@H]1CCCN(Cc2c(C)nc3ccccn32)C1 ZINC000159441309 425960612 /nfs/dbraw/zinc/96/06/12/425960612.db2.gz JQLWVNGTSZVPFQ-OAHLLOKOSA-N 0 3 324.432 2.634 20 70 DFIDHN C[C@H]1CC[C@H](C(N)=O)CN1Cc1cccc(OC(F)(F)F)c1 ZINC000159666132 425964960 /nfs/dbraw/zinc/96/49/60/425964960.db2.gz NYPQIKPNHXGJPA-JQWIXIFHSA-N 0 3 316.323 2.671 20 70 DFIDHN O=c1ccc([N+](=O)[O-])cn1CCN1CCC[C@@H]1c1ccccc1 ZINC000159692605 425965807 /nfs/dbraw/zinc/96/58/07/425965807.db2.gz BINISKQESSZWHQ-MRXNPFEDSA-N 0 3 313.357 2.594 20 70 DFIDHN CC(C)[C@H](C)NC(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000159723915 425967145 /nfs/dbraw/zinc/96/71/45/425967145.db2.gz DWKYHZQFJZKYNL-HNNXBMFYSA-N 0 3 318.465 2.984 20 70 DFIDHN C[C@@H]1C[C@@H](NC(=O)N2CCc3cccc(F)c3C2)CN1C1CC1 ZINC000159853722 425969370 /nfs/dbraw/zinc/96/93/70/425969370.db2.gz HSADCIVJNXUMCV-TZMCWYRMSA-N 0 3 317.408 2.519 20 70 DFIDHN CCC[C@@H](C(=O)N1CCC(Oc2ccc(F)cc2)CC1)N(C)C ZINC000159917692 425969981 /nfs/dbraw/zinc/96/99/81/425969981.db2.gz ONIHFDGORWHKSY-KRWDZBQOSA-N 0 3 322.424 2.926 20 70 DFIDHN CCn1cnnc1C1CCN(Cc2c(C)nc3ccccn32)CC1 ZINC000160147177 425975280 /nfs/dbraw/zinc/97/52/80/425975280.db2.gz LUVQCZJEERCHBC-UHFFFAOYSA-N 0 3 324.432 2.634 20 70 DFIDHN Cc1cccc([C@@H]2CCCN2CCC(=O)NC2CCCC2)n1 ZINC000160184778 425976525 /nfs/dbraw/zinc/97/65/25/425976525.db2.gz OBOYGHSCYIWZBE-KRWDZBQOSA-N 0 3 301.434 2.976 20 70 DFIDHN C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)CCC1CCCC1 ZINC000160350064 425979168 /nfs/dbraw/zinc/97/91/68/425979168.db2.gz GBJQJYWHGOTPLB-ZDUSSCGKSA-N 0 3 310.463 2.907 20 70 DFIDHN CCc1nc(C)c([C@@H](C)N[C@@H]2CCc3nc(C)nn3C2)s1 ZINC000160315782 425979664 /nfs/dbraw/zinc/97/96/64/425979664.db2.gz HPMBPQYNWUXGSB-BXKDBHETSA-N 0 3 305.451 2.579 20 70 DFIDHN CC[C@H](N[C@@H]1CCc2nc(C)nn2C1)c1cc(F)ccc1F ZINC000160387409 425980186 /nfs/dbraw/zinc/98/01/86/425980186.db2.gz HPKNLQAZHJKKQT-DOMZBBRYSA-N 0 3 306.360 2.920 20 70 DFIDHN O=C(NC[C@H](c1ccccc1)N1CCCC1)[C@H]1CCCCO1 ZINC000161416292 426022957 /nfs/dbraw/zinc/02/29/57/426022957.db2.gz FCCAICBOHMLVQF-IAGOWNOFSA-N 0 3 302.418 2.509 20 70 DFIDHN C[C@H]1C[C@@H](NC(=O)NC2CCCC2)CN1Cc1ccccc1 ZINC000161432237 426024431 /nfs/dbraw/zinc/02/44/31/426024431.db2.gz WVSGTYWPQBNKBI-WMLDXEAASA-N 0 3 301.434 2.891 20 70 DFIDHN CCN(CCNC(=O)Nc1cnn(CCC(C)C)c1C)C1CC1 ZINC000161507367 426027891 /nfs/dbraw/zinc/02/78/91/426027891.db2.gz YBNMTHKLTJAKQB-UHFFFAOYSA-N 0 3 321.469 2.843 20 70 DFIDHN CCN1CCC[C@@H]1CNC(=O)CCc1ccc(Cl)c(OC)c1 ZINC000161083138 426008217 /nfs/dbraw/zinc/00/82/17/426008217.db2.gz DWDVTHYUTWDSEJ-CQSZACIVSA-N 0 3 324.852 2.882 20 70 DFIDHN COc1ccc(Br)cc1CNC(C)(C)[C@H](C)O ZINC000161132011 426010268 /nfs/dbraw/zinc/01/02/68/426010268.db2.gz HBTOAIAKTUNVCM-VIFPVBQESA-N 0 3 302.212 2.707 20 70 DFIDHN CCCN(CCO)Cc1cn(C)nc1-c1ccccc1Cl ZINC000161210692 426013536 /nfs/dbraw/zinc/01/35/36/426013536.db2.gz HZFORCZDADQCFK-UHFFFAOYSA-N 0 3 307.825 2.945 20 70 DFIDHN COc1cccc(Cl)c1C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C ZINC000161226632 426013869 /nfs/dbraw/zinc/01/38/69/426013869.db2.gz DJFKMAJBJFXRNK-AAEUAGOBSA-N 0 3 310.825 2.807 20 70 DFIDHN CCn1cnnc1[C@H]1CCCN(CCOc2cccc(C)c2)C1 ZINC000161327951 426018375 /nfs/dbraw/zinc/01/83/75/426018375.db2.gz XIBGEZNNVSYJKX-INIZCTEOSA-N 0 3 314.433 2.865 20 70 DFIDHN CCOC[C@@H](O)CN[C@@H](C)c1ccc(OCC(F)(F)F)cc1 ZINC000161332496 426019943 /nfs/dbraw/zinc/01/99/43/426019943.db2.gz JAEPDRJXNTZMHO-AAEUAGOBSA-N 0 3 321.339 2.676 20 70 DFIDHN CC[C@@H](C(=O)N1CCO[C@@H](c2ccc(C)cc2C)C1)N(C)C ZINC000161385515 426022346 /nfs/dbraw/zinc/02/23/46/426022346.db2.gz NOXCEBVPYMWVIP-DLBZAZTESA-N 0 3 304.434 2.544 20 70 DFIDHN CCN(C)CCNC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000160146272 276305613 /nfs/dbraw/zinc/30/56/13/276305613.db2.gz RXVMJXUXDQXYHI-GFCCVEGCSA-N 0 3 316.367 2.952 20 70 DFIDHN CSCC[C@H](N)C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000159808074 278132485 /nfs/dbraw/zinc/13/24/85/278132485.db2.gz ZRISCUMWSSEOQJ-JSGCOSHPSA-N 0 3 312.866 2.736 20 70 DFIDHN O=C(NCCCCNc1ccccn1)c1cccc2nc[nH]c21 ZINC000159417615 295376530 /nfs/dbraw/zinc/37/65/30/295376530.db2.gz VQVRZDSEPDNCPG-UHFFFAOYSA-N 0 3 309.373 2.580 20 70 DFIDHN CCC(CC)(CNCc1cccc([N+](=O)[O-])c1C)C(=O)OC ZINC000159663801 295379882 /nfs/dbraw/zinc/37/98/82/295379882.db2.gz IBQQGOCTYFFRSV-UHFFFAOYSA-N 0 3 308.378 2.972 20 70 DFIDHN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NCCC(C)(C)O ZINC000159727038 295380718 /nfs/dbraw/zinc/38/07/18/295380718.db2.gz OMBBAPUWWWHJKI-SECBINFHSA-N 0 3 307.360 2.874 20 70 DFIDHN CCN1CCCC[C@@H]1CNC(=O)c1coc(-c2ccccc2)n1 ZINC000159769946 295381649 /nfs/dbraw/zinc/38/16/49/295381649.db2.gz FBZVCYJJFKACEM-OAHLLOKOSA-N 0 3 313.401 2.946 20 70 DFIDHN COCc1ccccc1CNC(=O)c1ccc(CN(C)C)cc1 ZINC000159895266 295383668 /nfs/dbraw/zinc/38/36/68/295383668.db2.gz FOYVWOUXNRSDEO-UHFFFAOYSA-N 0 3 312.413 2.825 20 70 DFIDHN Cc1cccc2[nH]c(CNC(=O)[C@@H](C)N3CCCCCC3)nc21 ZINC000160315677 295390043 /nfs/dbraw/zinc/39/00/43/295390043.db2.gz VXLDEVDWXBZTFO-CQSZACIVSA-N 0 3 314.433 2.752 20 70 DFIDHN Cc1cccc2nc(CNC(=O)[C@@H](C)N3CCCCCC3)[nH]c21 ZINC000160315677 295390046 /nfs/dbraw/zinc/39/00/46/295390046.db2.gz VXLDEVDWXBZTFO-CQSZACIVSA-N 0 3 314.433 2.752 20 70 DFIDHN CC(=O)Nc1ccccc1CNCCOc1ccc(C#N)cc1 ZINC000160488561 295392145 /nfs/dbraw/zinc/39/21/45/295392145.db2.gz WOXCGZYSMINTRD-UHFFFAOYSA-N 0 3 309.369 2.685 20 70 DFIDHN N#Cc1cc(CN(CCC(N)=O)Cc2ccccc2)ccc1F ZINC000160600592 295393329 /nfs/dbraw/zinc/39/33/29/295393329.db2.gz SFMZGFQBJQJTAA-UHFFFAOYSA-N 0 3 311.360 2.575 20 70 DFIDHN CCCOc1ccc(O[C@H]2CCCC[C@@H]2NC(=O)[C@H](C)N)cc1 ZINC000161031314 295397630 /nfs/dbraw/zinc/39/76/30/295397630.db2.gz DUJLAOPPDOXSLH-JQFCIGGWSA-N 0 3 320.433 2.629 20 70 DFIDHN C=C(Cl)CN[C@H](C)C[C@@H]1COCCN1C(=O)OC(C)(C)C ZINC000161002123 332177622 /nfs/dbraw/zinc/17/76/22/332177622.db2.gz XGWNMFJQIUVEJB-CHWSQXEVSA-N 0 3 318.845 2.743 20 70 DFIDHN C=C(Cl)CN[C@@H](C)C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000161002218 332178818 /nfs/dbraw/zinc/17/88/18/332178818.db2.gz XGWNMFJQIUVEJB-STQMWFEESA-N 0 3 318.845 2.743 20 70 DFIDHN CC(C)CCNC(=O)N(C)CC1CCN(c2ccncc2)CC1 ZINC000159658122 519656735 /nfs/dbraw/zinc/65/67/35/519656735.db2.gz PNOZIVKOYVHQGV-UHFFFAOYSA-N 0 3 318.465 2.986 20 70 DFIDHN Cn1ccc(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1 ZINC000160181382 527350584 /nfs/dbraw/zinc/35/05/84/527350584.db2.gz AOUIWYXVYDJJAW-KRWDZBQOSA-N 0 3 300.402 2.912 20 70 DFIDHN Cn1ccc(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)c1 ZINC000160181382 527350590 /nfs/dbraw/zinc/35/05/90/527350590.db2.gz AOUIWYXVYDJJAW-KRWDZBQOSA-N 0 3 300.402 2.912 20 70 DFIDHN CC[C@@H](NC(=O)N1CCCN(CC)CC1)c1ccc(OC)cc1 ZINC000159545073 186126112 /nfs/dbraw/zinc/12/61/12/186126112.db2.gz PFGDSRRTRNYVPZ-QGZVFWFLSA-N 0 3 319.449 2.884 20 70 DFIDHN COC[C@H](C)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000159592062 186129806 /nfs/dbraw/zinc/12/98/06/186129806.db2.gz PEIHEIGOPYKJGT-YJBOKZPZSA-N 0 3 312.413 2.861 20 70 DFIDHN COC(=O)c1ccccc1NC(=O)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000159674786 398966236 /nfs/dbraw/zinc/96/62/36/398966236.db2.gz ZVZQCRIICHFILF-BBRMVZONSA-N 0 3 316.401 2.676 20 70 DFIDHN CC(=O)Nc1ccc(NC(=O)CN2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000159665169 398966741 /nfs/dbraw/zinc/96/67/41/398966741.db2.gz VYMSJOXSEZYKLB-YOEHRIQHSA-N 0 3 315.417 2.848 20 70 DFIDHN O=C(N[C@@H]1CCN(CC2CC2)C1)N(Cc1ccccc1)C1CC1 ZINC000160718335 398971929 /nfs/dbraw/zinc/97/19/29/398971929.db2.gz RNZZRLKSXDIOJF-QGZVFWFLSA-N 0 3 313.445 2.845 20 70 DFIDHN O=C(N[C@H]1CCN(CC2CC2)C1)NC1(c2ccccc2F)CC1 ZINC000160626115 398971237 /nfs/dbraw/zinc/97/12/37/398971237.db2.gz DOMOLJKOHJIOTD-AWEZNQCLSA-N 0 3 317.408 2.598 20 70 DFIDHN Cc1nc2n(n1)C[C@H](N[C@@H]1CCSc3ccc(F)cc31)CC2 ZINC000160301393 197398828 /nfs/dbraw/zinc/39/88/28/197398828.db2.gz UARLLJPOBKSWQP-TZMCWYRMSA-N 0 3 318.421 2.867 20 70 DFIDHN CCCCn1ncc(NC(=O)N(C)C[C@H]2CCCN(C)C2)c1C ZINC000160162086 197390011 /nfs/dbraw/zinc/39/00/11/197390011.db2.gz CAGOZPGNKXPPKL-HNNXBMFYSA-N 0 3 321.469 2.797 20 70 DFIDHN CCSCCN1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000160230030 197394312 /nfs/dbraw/zinc/39/43/12/197394312.db2.gz XMTMXJSOEFLICC-AWEZNQCLSA-N 0 3 311.426 2.775 20 70 DFIDHN CCCc1cc(C(=O)NC[C@H](O)CN2CCCCC2)sc1C ZINC000160025080 197380000 /nfs/dbraw/zinc/38/00/00/197380000.db2.gz FNQFNOIMVFYVKG-HNNXBMFYSA-N 0 3 324.490 2.586 20 70 DFIDHN CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)Nc1ccccc1Cl ZINC000160019918 197379947 /nfs/dbraw/zinc/37/99/47/197379947.db2.gz OQTHXNFLHSFIBC-ZXIHIIQKSA-N 0 3 308.809 2.811 20 70 DFIDHN CCN1CCCN(C(=O)N[C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000159885160 197371377 /nfs/dbraw/zinc/37/13/77/197371377.db2.gz UMCKGDSDFSVBIO-SFHVURJKSA-N 0 3 315.461 2.745 20 70 DFIDHN CCN1CCCN(C(=O)N[C@H](Cc2ccccc2)C2CC2)CC1 ZINC000159885287 197370973 /nfs/dbraw/zinc/37/09/73/197370973.db2.gz UMCKGDSDFSVBIO-GOSISDBHSA-N 0 3 315.461 2.745 20 70 DFIDHN CCN1CCCN(C(=O)N[C@@H](c2ncccc2C)C(C)C)CC1 ZINC000159866586 197370113 /nfs/dbraw/zinc/37/01/13/197370113.db2.gz AOOFSSURGSLZMO-MRXNPFEDSA-N 0 3 318.465 2.824 20 70 DFIDHN C[C@@H](CN[C@@H](C)c1cnn(C)c1)N1CCc2sccc2C1 ZINC000159860532 197369228 /nfs/dbraw/zinc/36/92/28/197369228.db2.gz WSWUGAVUVNNGNV-STQMWFEESA-N 0 3 304.463 2.579 20 70 DFIDHN COCCOC[C@H]1CCN(CCC(=O)c2ccc(C)cc2)C1 ZINC000159854851 197368934 /nfs/dbraw/zinc/36/89/34/197368934.db2.gz JZNNYCXGGGLJEC-INIZCTEOSA-N 0 3 305.418 2.553 20 70 DFIDHN CC(C)[C@H](CNC(=O)N(CCN(C)C)C(C)C)c1cccnc1 ZINC000159508639 197358699 /nfs/dbraw/zinc/35/86/99/197358699.db2.gz UQIQXNYAQSCUTG-KRWDZBQOSA-N 0 3 320.481 2.803 20 70 DFIDHN CC(C)CCn1ccc(NC(=O)N[C@H]2CCN(CC3CC3)C2)n1 ZINC000159578705 542718717 /nfs/dbraw/zinc/71/87/17/542718717.db2.gz MYOMEVZFWKSXJP-HNNXBMFYSA-N 0 3 319.453 2.535 20 70 DFIDHN Clc1ccccc1OCCN1CCN(c2ccncc2)CC1 ZINC000161322345 542728988 /nfs/dbraw/zinc/72/89/88/542728988.db2.gz IORUIDPLEBNVHZ-UHFFFAOYSA-N 0 3 317.820 2.936 20 70 DFIDHN C[C@@H](c1cccs1)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159756534 287156201 /nfs/dbraw/zinc/15/62/01/287156201.db2.gz RHCCOFYSGBDYMI-NSHDSACASA-N 0 3 307.375 2.511 20 70 DFIDHN CC[C@H](N[C@H]1CCc2nc(C)nn2C1)c1cccc(OC)c1 ZINC000160353621 425981078 /nfs/dbraw/zinc/98/10/78/425981078.db2.gz VRMOHRMMTFUXPP-HOCLYGCPSA-N 0 3 300.406 2.651 20 70 DFIDHN CC(C)CN1CCC[C@@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000160544028 425985979 /nfs/dbraw/zinc/98/59/79/425985979.db2.gz CTDYDOPIIVTRRS-CYBMUJFWSA-N 0 3 323.368 2.584 20 70 DFIDHN C[C@H](NCC(=O)NCC(F)(F)F)c1ccc2c(c1)CCC2 ZINC000160543702 425986584 /nfs/dbraw/zinc/98/65/84/425986584.db2.gz OTHSZKQIHAMHBW-JTQLQIEISA-N 0 3 300.324 2.504 20 70 DFIDHN CC[C@H](C)CN(CC)[C@@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000160581114 425988272 /nfs/dbraw/zinc/98/82/72/425988272.db2.gz QMNRGCVWUBINLC-RYUDHWBXSA-N 0 3 318.421 2.551 20 70 DFIDHN C[C@@H]1CC[C@H](NCC(=O)NCC(F)(F)F)c2ccccc21 ZINC000160593331 425989013 /nfs/dbraw/zinc/98/90/13/425989013.db2.gz AWQKUSZTLRHCTI-MFKMUULPSA-N 0 3 300.324 2.893 20 70 DFIDHN CC[C@@H](O)CCNC(=O)NC[C@@H](c1ccccc1)N(CC)CC ZINC000160746853 425994845 /nfs/dbraw/zinc/99/48/45/425994845.db2.gz BVZOQTAULFGWDV-SJORKVTESA-N 0 3 321.465 2.530 20 70 DFIDHN O=[N+]([O-])c1cccc(OCCN2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000160774693 425995870 /nfs/dbraw/zinc/99/58/70/425995870.db2.gz BIVXLHGUCWPBIK-PBHICJAKSA-N 0 3 320.389 2.601 20 70 DFIDHN COCCN(C)CCN[C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000159422236 425960473 /nfs/dbraw/zinc/96/04/73/425960473.db2.gz SAKBGOMPZDLFBX-GFCCVEGCSA-N 0 3 320.355 2.814 20 70 DFIDHN C[C@H]1CC[C@H](C(N)=O)CN1Cc1cnc(C2CCCC2)s1 ZINC000159551865 425963553 /nfs/dbraw/zinc/96/35/53/425963553.db2.gz IHUHSGYFXHKZIJ-AAEUAGOBSA-N 0 3 307.463 2.887 20 70 DFIDHN Cc1nc(CC(=O)N2CCN(CCC(C)(C)C)CC2)c(C)s1 ZINC000159644575 425964607 /nfs/dbraw/zinc/96/46/07/425964607.db2.gz CHNQZBGEVRVKNJ-UHFFFAOYSA-N 0 3 323.506 2.883 20 70 DFIDHN COc1ccc2oc(CN3C[C@@H](C(N)=O)CC[C@@H]3C)cc2c1 ZINC000159704003 425965226 /nfs/dbraw/zinc/96/52/26/425965226.db2.gz CJAPJXDYHDGSMQ-RYUDHWBXSA-N 0 3 302.374 2.527 20 70 DFIDHN Cc1ccc(-c2ncc(CN3C[C@@H](C(N)=O)CC[C@@H]3C)s2)o1 ZINC000159680069 425965472 /nfs/dbraw/zinc/96/54/72/425965472.db2.gz OZFGIHCXMJFNRY-JQWIXIFHSA-N 0 3 319.430 2.797 20 70 DFIDHN C[C@@H]1C[C@H](NC(=O)N2CCc3cccc(F)c3C2)CN1C1CC1 ZINC000159853547 425968892 /nfs/dbraw/zinc/96/88/92/425968892.db2.gz HSADCIVJNXUMCV-OCCSQVGLSA-N 0 3 317.408 2.519 20 70 DFIDHN CCN1CCCN(C(=O)N[C@@H]2C[C@@H]2c2c(F)cccc2F)CC1 ZINC000159870770 425969461 /nfs/dbraw/zinc/96/94/61/425969461.db2.gz KXVUEJACSYBHTE-SWLSCSKDSA-N 0 3 323.387 2.558 20 70 DFIDHN CS[C@H](C)CC(=O)N(CCN(C)C)Cc1ccccc1F ZINC000161008876 426005348 /nfs/dbraw/zinc/00/53/48/426005348.db2.gz IAHAFOKLZNJWOA-CYBMUJFWSA-N 0 3 312.454 2.858 20 70 DFIDHN CCC[C@@H](N[C@@H](CC)COC)C(=O)N1CCc2sccc2C1 ZINC000160200446 425976141 /nfs/dbraw/zinc/97/61/41/425976141.db2.gz QOKQJOIVBMPFOH-LSDHHAIUSA-N 0 3 324.490 2.816 20 70 DFIDHN CCOC(=O)[C@@H]1CCCN(CCN(C)Cc2ccc(F)cc2)C1 ZINC000160281363 425978388 /nfs/dbraw/zinc/97/83/88/425978388.db2.gz HISJGJXNEFXEPE-MRXNPFEDSA-N 0 3 322.424 2.533 20 70 DFIDHN Cc1ccc2cc(C(=O)N3CC[C@@H](N4CCCC4)C3)ccc2n1 ZINC000161465527 426025528 /nfs/dbraw/zinc/02/55/28/426025528.db2.gz ADIFZRFDFIQTGI-QGZVFWFLSA-N 0 3 309.413 2.854 20 70 DFIDHN CCC[C@@H](C(=O)N(C)Cc1ccc(OC(F)F)cc1)N(C)C ZINC000161216790 426013402 /nfs/dbraw/zinc/01/34/02/426013402.db2.gz KXXOUJOXMGEZLE-AWEZNQCLSA-N 0 3 314.376 2.977 20 70 DFIDHN CC(C)CCn1ccc(NC(=O)N[C@H](C)CN2CCCCC2)n1 ZINC000161231695 426013477 /nfs/dbraw/zinc/01/34/77/426013477.db2.gz WQKHPAAHRWUIJO-OAHLLOKOSA-N 0 3 321.469 2.925 20 70 DFIDHN CC[C@H](C)OCC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000161346796 426020172 /nfs/dbraw/zinc/02/01/72/426020172.db2.gz DBZZYOWNKRMXHZ-XYJFISCASA-N 0 3 318.461 2.828 20 70 DFIDHN C[C@H](CC(N)=O)N[C@@H](C)c1ccc(F)c(Br)c1 ZINC000161355275 426021040 /nfs/dbraw/zinc/02/10/40/426021040.db2.gz XKXAUWPOZYHXNO-SFYZADRCSA-N 0 3 303.175 2.503 20 70 DFIDHN C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160676863 279213053 /nfs/dbraw/zinc/21/30/53/279213053.db2.gz NZRHNMWTDDQOGT-DOEOUOAPSA-N 0 3 322.493 2.791 20 70 DFIDHN C[C@H](c1cccs1)N(C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159756665 290273114 /nfs/dbraw/zinc/27/31/14/290273114.db2.gz RHCCOFYSGBDYMI-LLVKDONJSA-N 0 3 307.375 2.511 20 70 DFIDHN Cc1nc2n(n1)C[C@@H](N[C@@H]1CC(C)(C)Cc3occc31)CC2 ZINC000160400290 293543368 /nfs/dbraw/zinc/54/33/68/293543368.db2.gz AIBSNICTRPFWGE-GXTWGEPZSA-N 0 3 300.406 2.798 20 70 DFIDHN C[C@H](N[C@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccccn1 ZINC000159361292 295375706 /nfs/dbraw/zinc/37/57/06/295375706.db2.gz HIPDXQBKQFRQDG-WMZOPIPTSA-N 0 3 323.440 2.966 20 70 DFIDHN Cc1nn(C)cc1CNC[C@@H](c1ccco1)N1CCCCC1 ZINC000159579647 295378619 /nfs/dbraw/zinc/37/86/19/295378619.db2.gz LMGLJVDDPGHRQS-INIZCTEOSA-N 0 3 302.422 2.638 20 70 DFIDHN CCCCn1ncc(NC(=O)N[C@H]2CCCN(CC)C2)c1C ZINC000159721295 295380609 /nfs/dbraw/zinc/38/06/09/295380609.db2.gz NCBCXOVUTXDOIZ-AWEZNQCLSA-N 0 3 307.442 2.597 20 70 DFIDHN C[C@H](C(=O)N1CCN(C2CCCCC2)CC1)C1CCOCC1 ZINC000159817152 295382074 /nfs/dbraw/zinc/38/20/74/295382074.db2.gz AAXGPESFVJCMHM-HNNXBMFYSA-N 0 3 308.466 2.526 20 70 DFIDHN CCN1CCCN(C(=O)N[C@@H]2CCc3ccc(F)cc32)CC1 ZINC000159830171 295382629 /nfs/dbraw/zinc/38/26/29/295382629.db2.gz BFBLWKVUAZMWLQ-MRXNPFEDSA-N 0 3 305.397 2.550 20 70 DFIDHN COC(=O)c1ccc(CN(CCc2nccs2)C(C)C)o1 ZINC000159916999 295383357 /nfs/dbraw/zinc/38/33/57/295383357.db2.gz CBBWDVSDUSWYPR-UHFFFAOYSA-N 0 3 308.403 2.976 20 70 DFIDHN Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N[C@H](C)CN1CCCCC1 ZINC000159896283 295383538 /nfs/dbraw/zinc/38/35/38/295383538.db2.gz FLNCRUQNRJWVSK-QWHCGFSZSA-N 0 3 306.454 2.511 20 70 DFIDHN Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@@H](C)CN1CCCCC1 ZINC000159896105 295383651 /nfs/dbraw/zinc/38/36/51/295383651.db2.gz FLNCRUQNRJWVSK-OLZOCXBDSA-N 0 3 306.454 2.511 20 70 DFIDHN Cc1n[nH]c(C)c1CNc1ccc(OC2CCN(C)CC2)nc1 ZINC000160114001 295386459 /nfs/dbraw/zinc/38/64/59/295386459.db2.gz AKLKWYSVMSEPII-UHFFFAOYSA-N 0 3 315.421 2.507 20 70 DFIDHN CCN(CC)[C@H](CNC(=O)C1(C)CC1)c1cccc(OC)c1 ZINC000160244003 295388366 /nfs/dbraw/zinc/38/83/66/295388366.db2.gz YMWSHNSFEBABCL-MRXNPFEDSA-N 0 3 304.434 2.994 20 70 DFIDHN COc1cccc(CCNC(=O)c2ccc(CN(C)C)cc2)c1 ZINC000160304620 295389396 /nfs/dbraw/zinc/38/93/96/295389396.db2.gz BFQCSQDNNMJCAZ-UHFFFAOYSA-N 0 3 312.413 2.729 20 70 DFIDHN C[C@@H](C(=O)NCCCN(C)Cc1ccccc1)C1CCOCC1 ZINC000160404630 295390592 /nfs/dbraw/zinc/39/05/92/295390592.db2.gz OJKCQKLTJDSGAJ-MRXNPFEDSA-N 0 3 318.461 2.687 20 70 DFIDHN CN(C)Cc1ccc(C(=O)NCc2ccccc2[N+](=O)[O-])cc1 ZINC000160468871 295391760 /nfs/dbraw/zinc/39/17/60/295391760.db2.gz UTHAQSBOVLZNMP-UHFFFAOYSA-N 0 3 313.357 2.586 20 70 DFIDHN CC(=O)Nc1cccc(NC(=O)CN2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000160548890 295392321 /nfs/dbraw/zinc/39/23/21/295392321.db2.gz KZNURBCPNSFHIV-YOEHRIQHSA-N 0 3 315.417 2.848 20 70 DFIDHN C[C@@H]1CCc2c(F)cccc2[C@H]1NCC(=O)NCC(F)(F)F ZINC000160527924 295392527 /nfs/dbraw/zinc/39/25/27/295392527.db2.gz CQJHACJNMUDTCN-OTYXRUKQSA-N 0 3 318.314 2.717 20 70 DFIDHN CC(C)c1nn(C)c(N2CCOCC2)c1CNC1CCCCC1 ZINC000161361071 295401905 /nfs/dbraw/zinc/40/19/05/295401905.db2.gz XXKJIAYNMRHPSJ-UHFFFAOYSA-N 0 3 320.481 2.802 20 70 DFIDHN N#Cc1ccc(N2CCC[C@H]2CN2CCCCC2)c([N+](=O)[O-])c1 ZINC000160443176 303193709 /nfs/dbraw/zinc/19/37/09/303193709.db2.gz UWDPDSSLHVFTKU-HNNXBMFYSA-N 0 3 314.389 2.921 20 70 DFIDHN Cc1cc(Br)cc(CN2CC[C@H]([NH+](C)C)C2)c1[O-] ZINC000160966026 526158144 /nfs/dbraw/zinc/15/81/44/526158144.db2.gz ITTIFUQJIIVRAD-ZDUSSCGKSA-N 0 3 313.239 2.599 20 70 DFIDHN CCN1CCCN(C(=O)N[C@H](C)c2cc(C)ccc2OC)CC1 ZINC000159556003 186126873 /nfs/dbraw/zinc/12/68/73/186126873.db2.gz SHCDEFUWGUQNJM-OAHLLOKOSA-N 0 3 319.449 2.802 20 70 DFIDHN CCc1nn(C)c(CC)c1CNC[C@@H](c1ccco1)N(C)C ZINC000159581132 186128134 /nfs/dbraw/zinc/12/81/34/186128134.db2.gz WUAKACPKTCNVSD-INIZCTEOSA-N 0 3 304.438 2.530 20 70 DFIDHN c1cc(CN[C@H]2[C@H]3CCO[C@@H]3C23CCC3)c2c(c1)OCCCO2 ZINC000159586820 186128857 /nfs/dbraw/zinc/12/88/57/186128857.db2.gz HMNOHFVWYSRRKZ-JLSDUUJJSA-N 0 3 315.413 2.895 20 70 DFIDHN COc1ccc([C@H]2CCCN2CCn2ccnc2)cc1OC ZINC000159704446 186136436 /nfs/dbraw/zinc/13/64/36/186136436.db2.gz DCNLNEKGMVYXKC-OAHLLOKOSA-N 0 3 301.390 2.737 20 70 DFIDHN O=C(CN1CC[C@@H]2CCCC[C@@H]21)NCCCc1ccccc1 ZINC000159674214 398966501 /nfs/dbraw/zinc/96/65/01/398966501.db2.gz KVWDDJAMVGNICA-ROUUACIJSA-N 0 3 300.446 3.000 20 70 DFIDHN CSC[C@H](CCO)N[C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000160346658 398970587 /nfs/dbraw/zinc/97/05/87/398970587.db2.gz CJDOFVWZSZJZJJ-YOEHRIQHSA-N 0 3 319.474 2.696 20 70 DFIDHN O=C(N[C@@H]1CCN(CC2CC2)C1)N(Cc1cccs1)C1CC1 ZINC000160737915 398971854 /nfs/dbraw/zinc/97/18/54/398971854.db2.gz ROTASJBZLCINKF-CQSZACIVSA-N 0 3 319.474 2.906 20 70 DFIDHN CCC[C@@H](N)C(=O)Nc1ccc(OC2CCOCC2)c(C)c1 ZINC000160939959 197452119 /nfs/dbraw/zinc/45/21/19/197452119.db2.gz YQGBPGSDCVFGFN-OAHLLOKOSA-N 0 3 306.406 2.619 20 70 DFIDHN Cc1ccc(C(=O)CCN2CCS[C@@H]3COCC[C@@H]32)cc1 ZINC000160309739 197398857 /nfs/dbraw/zinc/39/88/57/197398857.db2.gz WKVORLPDFDOPBW-DOTOQJQBSA-N 0 3 305.443 2.774 20 70 DFIDHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000160227455 197394057 /nfs/dbraw/zinc/39/40/57/197394057.db2.gz PIDYOVSXXRPNDB-CJNGLKHVSA-N 0 3 312.373 2.922 20 70 DFIDHN COc1cccc(Cl)c1CC(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000160138227 197389057 /nfs/dbraw/zinc/38/90/57/197389057.db2.gz MYMVMTJDFMYUTM-CHWSQXEVSA-N 0 3 324.852 2.832 20 70 DFIDHN CCCc1cc(C(=O)NC[C@@H](O)CN2CCCCC2)sc1C ZINC000160025210 197379902 /nfs/dbraw/zinc/37/99/02/197379902.db2.gz FNQFNOIMVFYVKG-OAHLLOKOSA-N 0 3 324.490 2.586 20 70 DFIDHN C[C@H](CN[C@H]1CCCc2c1cnn2C)N1CCc2ccccc21 ZINC000159937958 197374868 /nfs/dbraw/zinc/37/48/68/197374868.db2.gz MYWJZDFYOYGAPL-PBHICJAKSA-N 0 3 310.445 2.838 20 70 DFIDHN CC[C@@H]1CN(CC#Cc2cccc(Cl)c2)CCN1CCOC ZINC000159928155 197374388 /nfs/dbraw/zinc/37/43/88/197374388.db2.gz PXSUVKLKRNDALG-GOSISDBHSA-N 0 3 320.864 2.734 20 70 DFIDHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N(C)C1CCC1 ZINC000159921085 197373523 /nfs/dbraw/zinc/37/35/23/197373523.db2.gz SKJRIXUSKIBOPQ-YOEHRIQHSA-N 0 3 301.434 2.701 20 70 DFIDHN CCN1CCCN(C(=O)NCC(C)(C)c2ccc(F)cc2)CC1 ZINC000159816337 197366237 /nfs/dbraw/zinc/36/62/37/197366237.db2.gz OOTUAUQYIGOVKR-UHFFFAOYSA-N 0 3 321.440 2.841 20 70 DFIDHN CC[C@H](NC[C@H](C)N1CCc2ccccc2C1)c1cnn(C)c1 ZINC000159788908 197364873 /nfs/dbraw/zinc/36/48/73/197364873.db2.gz UCXCVOQJXVSMPN-KXBFYZLASA-N 0 3 312.461 2.908 20 70 DFIDHN CCN1CCCN(C(=O)NCCCOc2ccc(C)cc2)CC1 ZINC000159792888 197364633 /nfs/dbraw/zinc/36/46/33/197364633.db2.gz CRBWREJGWAPLLI-UHFFFAOYSA-N 0 3 319.449 2.501 20 70 DFIDHN CC(=O)c1cnc(NC(=O)[C@H](C)[C@H](N)c2ccccc2)s1 ZINC000159507128 197358703 /nfs/dbraw/zinc/35/87/03/197358703.db2.gz KUSZRFQVAOLQRF-RNCFNFMXSA-N 0 3 303.387 2.620 20 70 DFIDHN CCN(CCN[C@H](C)c1cnn(CC)c1)C(=O)OC(C)(C)C ZINC000159475209 197357108 /nfs/dbraw/zinc/35/71/08/197357108.db2.gz VQCYYXHPKBVNBI-CYBMUJFWSA-N 0 3 310.442 2.811 20 70 DFIDHN O=C1CCCN1CCCN[C@H]1CCSc2ccc(F)cc21 ZINC000159463959 197356308 /nfs/dbraw/zinc/35/63/08/197356308.db2.gz UIKREDXQJFJSDT-AWEZNQCLSA-N 0 3 308.422 2.965 20 70 DFIDHN CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)[C@H]1CCCCN1 ZINC000159451646 197354512 /nfs/dbraw/zinc/35/45/12/197354512.db2.gz JBLDMXWNOOBQAF-KCPJHIHWSA-N 0 3 310.825 2.674 20 70 DFIDHN CCc1nc(CN[C@@](C)(CC)COc2ncccc2Cl)n[nH]1 ZINC000159413533 197351603 /nfs/dbraw/zinc/35/16/03/197351603.db2.gz LIFMKUGUSZXSGV-HNNXBMFYSA-N 0 3 323.828 2.753 20 70 DFIDHN CCCCn1ncc(NC(=O)NC2CCN(C3CC3)CC2)c1C ZINC000159624143 542718827 /nfs/dbraw/zinc/71/88/27/542718827.db2.gz YCYKURDTCXIYBN-UHFFFAOYSA-N 0 3 319.453 2.740 20 70 DFIDHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)c1ccncc1 ZINC000161321796 542728521 /nfs/dbraw/zinc/72/85/21/542728521.db2.gz GNFUPAOIJNTIRX-OIISXLGYSA-N 0 3 301.434 2.660 20 70 DFIDHN Cc1ccc(NC(=O)NC2CC=CC2)c(OCCN(C)C)c1 ZINC000161061160 542726899 /nfs/dbraw/zinc/72/68/99/542726899.db2.gz WWMXBFOGOYSADV-UHFFFAOYSA-N 0 3 303.406 2.776 20 70 DFIDHN COCCC1(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)CC1 ZINC000161034464 292296508 /nfs/dbraw/zinc/29/65/08/292296508.db2.gz HZCGHJGXZXNFTM-MRXNPFEDSA-N 0 3 304.434 2.531 20 70 DFIDHN CCCCc1ccc(C(=O)CCC(=O)N2CCC[C@H]2CN)cc1 ZINC000160383189 425980619 /nfs/dbraw/zinc/98/06/19/425980619.db2.gz PAMDAVHJCWEPKL-KRWDZBQOSA-N 0 3 316.445 2.942 20 70 DFIDHN Cc1nc2n(n1)C[C@H](N[C@@H]1CCCOc3ccc(F)cc31)CC2 ZINC000160362447 425980973 /nfs/dbraw/zinc/98/09/73/425980973.db2.gz UCWOSBFLZRBKCF-UKRRQHHQSA-N 0 3 316.380 2.544 20 70 DFIDHN CN(CCc1nccs1)CCN(C)Cc1ccc(F)cc1 ZINC000161015051 426005668 /nfs/dbraw/zinc/00/56/68/426005668.db2.gz LRIUSKQEYRDNCV-UHFFFAOYSA-N 0 3 307.438 2.889 20 70 DFIDHN Cc1ccc(C(=O)CCN2CCC(Cn3ccnn3)CC2)cc1 ZINC000161010746 426005688 /nfs/dbraw/zinc/00/56/88/426005688.db2.gz UHUNROSCTVUAML-UHFFFAOYSA-N 0 3 312.417 2.572 20 70 DFIDHN CN(C)C(=O)c1cccc(CN2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000160525233 425985000 /nfs/dbraw/zinc/98/50/00/425985000.db2.gz GZINWWXSQGJBIR-IEBWSBKVSA-N 0 3 316.445 2.515 20 70 DFIDHN Cc1ncc([C@@H](C)NC[C@@H]2CC(=O)Nc3ccccc32)c(C)n1 ZINC000160593121 425988231 /nfs/dbraw/zinc/98/82/31/425988231.db2.gz WYCYNYCOMOPJOB-RISCZKNCSA-N 0 3 310.401 2.870 20 70 DFIDHN CC(C)CCn1ccc(NC(=O)NCCN2CCCC[C@@H]2C)n1 ZINC000160610967 425990208 /nfs/dbraw/zinc/99/02/08/425990208.db2.gz VOQQAWNDRDYYEH-HNNXBMFYSA-N 0 3 321.469 2.925 20 70 DFIDHN CCCCN(CC(C)(C)CCC#N)[C@H]1CCS(=O)(=O)C1 ZINC000160795588 425996922 /nfs/dbraw/zinc/99/69/22/425996922.db2.gz LMHJBNUNHQYYHH-AWEZNQCLSA-N 0 3 300.468 2.606 20 70 DFIDHN C[C@H](N)C(=O)Nc1cccc(C[S@](=O)C2CCCCC2)c1 ZINC000160853952 425998652 /nfs/dbraw/zinc/99/86/52/425998652.db2.gz TXDKWAJVBBIBIN-LAJNKCICSA-N 0 3 308.447 2.554 20 70 DFIDHN CCc1ccc(/C=C/C(=O)N2[C@@H]3CC[C@H]2CCN(CC)C3)o1 ZINC000160877919 425999169 /nfs/dbraw/zinc/99/91/69/425999169.db2.gz PLULGPWYYAXDIR-LWLVDVGCSA-N 0 3 302.418 2.940 20 70 DFIDHN CN(C(=O)c1ccc[nH]1)c1ccc(OCCN2CCCC2)cc1 ZINC000160885189 426000529 /nfs/dbraw/zinc/00/05/29/426000529.db2.gz YHYUSHPZWFNDCJ-UHFFFAOYSA-N 0 3 313.401 2.766 20 70 DFIDHN C[C@H](N[C@H]1CCN(C(=O)C2CCCCC2)C1)c1ccccn1 ZINC000159381217 425959445 /nfs/dbraw/zinc/95/94/45/425959445.db2.gz QAMKHPJSIBQMIF-HOCLYGCPSA-N 0 3 301.434 2.913 20 70 DFIDHN C=CCOc1ccc(CN2C[C@@H](C(N)=O)CC[C@H]2C)cc1Cl ZINC000159516139 425962317 /nfs/dbraw/zinc/96/23/17/425962317.db2.gz KALKNGISZSYSLI-OCCSQVGLSA-N 0 3 322.836 2.991 20 70 DFIDHN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1cccc(OC(F)(F)F)c1 ZINC000159666243 425965709 /nfs/dbraw/zinc/96/57/09/425965709.db2.gz NYPQIKPNHXGJPA-ZYHUDNBSSA-N 0 3 316.323 2.671 20 70 DFIDHN CC(C)N(CCN(C)C)C(=O)NCC1(Cc2ccccc2)CC1 ZINC000159803627 425967277 /nfs/dbraw/zinc/96/72/77/425967277.db2.gz DZNFACIJUARZJE-UHFFFAOYSA-N 0 3 317.477 2.991 20 70 DFIDHN OCCCCCN1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161028288 426005241 /nfs/dbraw/zinc/00/52/41/426005241.db2.gz VTPJSSBZRURGAQ-LSDHHAIUSA-N 0 3 317.351 2.976 20 70 DFIDHN CCN1CCCN(C(=O)N[C@H](C)Cc2cc(C)cc(C)c2)CC1 ZINC000159917427 425970764 /nfs/dbraw/zinc/97/07/64/425970764.db2.gz RFVZKGJWKDBTTF-QGZVFWFLSA-N 0 3 317.477 2.972 20 70 DFIDHN CCOc1cc(C)ccc1CNC(=O)N1CCCN(CC)CC1 ZINC000159971621 425972089 /nfs/dbraw/zinc/97/20/89/425972089.db2.gz PUWKGHIYRKXOTD-UHFFFAOYSA-N 0 3 319.449 2.631 20 70 DFIDHN Cc1nc(CCNC(=O)[C@H](C)N2[C@H](C)CC[C@@H]2C)sc1C ZINC000160093647 425974298 /nfs/dbraw/zinc/97/42/98/425974298.db2.gz YTLLVUYFQOCMRI-LOWVWBTDSA-N 0 3 309.479 2.680 20 70 DFIDHN Cc1nc2ccccn2c1CN1CCC(Cc2nccn2C)CC1 ZINC000160065584 425974419 /nfs/dbraw/zinc/97/44/19/425974419.db2.gz GWSWUNNPKABLBO-UHFFFAOYSA-N 0 3 323.444 2.831 20 70 DFIDHN CN(CCC1CCCCC1)[C@H]1CCCN(c2cnn(C)c2)C1=O ZINC000160194220 425976193 /nfs/dbraw/zinc/97/61/93/425976193.db2.gz XLFIJORPJDEQBH-KRWDZBQOSA-N 0 3 318.465 2.818 20 70 DFIDHN CN(CCC1CCCCC1)[C@@H]1CCCN(c2cnn(C)c2)C1=O ZINC000160194351 425976404 /nfs/dbraw/zinc/97/64/04/425976404.db2.gz XLFIJORPJDEQBH-QGZVFWFLSA-N 0 3 318.465 2.818 20 70 DFIDHN C[C@@H]1C[C@H](NC(=O)N(C)C2CCC2)CN1Cc1ccccc1 ZINC000160332536 425979241 /nfs/dbraw/zinc/97/92/41/425979241.db2.gz ZUMWYEQMOMVZMY-ZBFHGGJFSA-N 0 3 301.434 2.843 20 70 DFIDHN C[C@@H]1CCN(C(=O)CNC[C@@H]2CCCO2)[C@@H]1c1cccc(F)c1 ZINC000161485604 426026973 /nfs/dbraw/zinc/02/69/73/426026973.db2.gz VINXYTKLLXXKJR-SKDZVZGDSA-N 0 3 320.408 2.504 20 70 DFIDHN CCS(=O)(=O)c1ccccc1NCC1(N(C)C)CCCC1 ZINC000161044213 426007137 /nfs/dbraw/zinc/00/71/37/426007137.db2.gz FLUUAFRSMWEZIZ-UHFFFAOYSA-N 0 3 310.463 2.767 20 70 DFIDHN CC(C)N1C[C@H](NC(=O)c2c[nH]nc2-c2ccccc2)[C@@H](C)C1 ZINC000161152112 426011456 /nfs/dbraw/zinc/01/14/56/426011456.db2.gz AFNGBKLDFCSEDR-BBRMVZONSA-N 0 3 312.417 2.535 20 70 DFIDHN CC(C)(CNC(=O)N[C@H]1CCOC(C)(C)C1)N1CCCCC1 ZINC000161255320 426014746 /nfs/dbraw/zinc/01/47/46/426014746.db2.gz OUVBGRXKJIGZEM-AWEZNQCLSA-N 0 3 311.470 2.508 20 70 DFIDHN CCC[C@H](C(=O)NC[C@H](c1ccccc1)N1CCCC1)N(C)C ZINC000161302932 426018415 /nfs/dbraw/zinc/01/84/15/426018415.db2.gz SUXMGFMORUDAPI-QZTJIDSGSA-N 0 3 317.477 2.670 20 70 DFIDHN Cc1nccn1CCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000161344226 426020113 /nfs/dbraw/zinc/02/01/13/426020113.db2.gz KPLMPAHXFPBHPY-LJQANCHMSA-N 0 3 312.461 2.960 20 70 DFIDHN Cn1nccc1CNCCc1ccc(Br)s1 ZINC000218239373 426567515 /nfs/dbraw/zinc/56/75/15/426567515.db2.gz FPTLVNDQDWYYFB-UHFFFAOYSA-N 0 3 300.225 2.576 20 70 DFIDHN CCC[C@@H](C(=O)NC[C@@H](c1ccccc1)N1CCCC1)N(C)C ZINC000161302560 276268836 /nfs/dbraw/zinc/26/88/36/276268836.db2.gz SUXMGFMORUDAPI-ROUUACIJSA-N 0 3 317.477 2.670 20 70 DFIDHN COC[C@@H](NCc1ccc(N2CCC(C)CC2)nc1)C1CC1 ZINC000160514763 277248534 /nfs/dbraw/zinc/24/85/34/277248534.db2.gz HKHFNJHULFPNOL-QGZVFWFLSA-N 0 3 303.450 2.833 20 70 DFIDHN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)[C@H](N)C(C)C)cc1 ZINC000161103196 278852444 /nfs/dbraw/zinc/85/24/44/278852444.db2.gz GQZABGWISMJXBU-ZACQAIPSSA-N 0 3 304.434 2.562 20 70 DFIDHN Cc1nc2n(n1)C[C@@H](N[C@H]1CC3(CCC3)Oc3ccccc31)CC2 ZINC000160472303 279141715 /nfs/dbraw/zinc/14/17/15/279141715.db2.gz IILVGCKPJMKGFY-HOCLYGCPSA-N 0 3 324.428 2.937 20 70 DFIDHN C[C@H](C(=O)N1C[C@@H](C)C[C@H](C)C1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000160805114 279208504 /nfs/dbraw/zinc/20/85/04/279208504.db2.gz SIXJHOLJBFQQDF-DOEOUOAPSA-N 0 3 322.493 2.506 20 70 DFIDHN CN(C)Cc1ccc(C(=O)N(C)Cc2nccn2C(F)F)cc1 ZINC000159601260 295378889 /nfs/dbraw/zinc/37/88/89/295378889.db2.gz VPHINXMAPCIQQB-UHFFFAOYSA-N 0 3 322.359 2.612 20 70 DFIDHN Cc1noc(C)c1[C@@H](C)CNC(=O)N[C@H](CC(C)C)CN(C)C ZINC000159640477 295379526 /nfs/dbraw/zinc/37/95/26/295379526.db2.gz OVFWEFKOILGTPG-SWLSCSKDSA-N 0 3 324.469 2.670 20 70 DFIDHN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NCCC(C)(C)O ZINC000159727173 295380768 /nfs/dbraw/zinc/38/07/68/295380768.db2.gz OMBBAPUWWWHJKI-VIFPVBQESA-N 0 3 307.360 2.874 20 70 DFIDHN CCCCn1ncc(NC(=O)N(C)C[C@@H]2CCCN2CC)c1C ZINC000159770128 295381620 /nfs/dbraw/zinc/38/16/20/295381620.db2.gz MFBOQXISBQNNNJ-HNNXBMFYSA-N 0 3 321.469 2.940 20 70 DFIDHN NC(=O)CC1CCN(Cc2cccc(-c3ccncc3)c2)CC1 ZINC000159791174 295381821 /nfs/dbraw/zinc/38/18/21/295381821.db2.gz KAPPYMMRADTKDQ-UHFFFAOYSA-N 0 3 309.413 2.836 20 70 DFIDHN CCN1CCCN(C(=O)N[C@@H]2CCc3c2cccc3C)CC1 ZINC000159824977 295382205 /nfs/dbraw/zinc/38/22/05/295382205.db2.gz WAXRMWZMDIWMFI-QGZVFWFLSA-N 0 3 301.434 2.720 20 70 DFIDHN CCN1CCCN(C(=O)N[C@H]2CCc3ccc(F)cc32)CC1 ZINC000159830281 295382506 /nfs/dbraw/zinc/38/25/06/295382506.db2.gz BFBLWKVUAZMWLQ-INIZCTEOSA-N 0 3 305.397 2.550 20 70 DFIDHN C[C@@H]1CCCCN1CCNC(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000160253526 295388845 /nfs/dbraw/zinc/38/88/45/295388845.db2.gz BBIFWDJEJBOFGP-CYBMUJFWSA-N 0 3 317.408 2.840 20 70 DFIDHN CSC[C@H](C)NC(=O)N(CCN(C)C)CC1CCCCC1 ZINC000160419442 295391180 /nfs/dbraw/zinc/39/11/80/295391180.db2.gz NGLLFDAIUJKLRL-AWEZNQCLSA-N 0 3 315.527 2.891 20 70 DFIDHN CC(C)n1cccc1C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000161073313 295398203 /nfs/dbraw/zinc/39/82/03/295398203.db2.gz OMEXZEZIMWUJIA-KRWDZBQOSA-N 0 3 313.445 2.972 20 70 DFIDHN CS(=O)(=O)CCCCN[C@@H](c1ccccc1)c1ccccn1 ZINC000161213005 295400040 /nfs/dbraw/zinc/40/00/40/295400040.db2.gz MMQCIXBTVMDEJA-KRWDZBQOSA-N 0 3 318.442 2.585 20 70 DFIDHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1ccn(CCC(C)C)n1 ZINC000160389439 521628387 /nfs/dbraw/zinc/62/83/87/521628387.db2.gz GIHKFEBJRQBXEZ-OAHLLOKOSA-N 0 3 321.469 2.877 20 70 DFIDHN CN(C)[C@H]1CCN(C(=O)NCc2cccc(-c3ccccn3)c2)C1 ZINC000160354794 522102980 /nfs/dbraw/zinc/10/29/80/522102980.db2.gz RBEXUILWQGERHR-KRWDZBQOSA-N 0 3 324.428 2.594 20 70 DFIDHN COc1cc([O-])c(C[N@H+](C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1OC ZINC000160284270 522773846 /nfs/dbraw/zinc/77/38/46/522773846.db2.gz KPGUFPXTCAWJBU-JLZZUVOBSA-N 0 3 321.417 2.655 20 70 DFIDHN COc1cc([O-])c(C[N@@H+](C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1OC ZINC000160284270 522773862 /nfs/dbraw/zinc/77/38/62/522773862.db2.gz KPGUFPXTCAWJBU-JLZZUVOBSA-N 0 3 321.417 2.655 20 70 DFIDHN COc1cc([O-])c(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1OC ZINC000160435766 522779750 /nfs/dbraw/zinc/77/97/50/522779750.db2.gz UGODZCHMQWDEEF-RDTXWAMCSA-N 0 3 321.417 2.536 20 70 DFIDHN COc1cc([O-])c(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1OC ZINC000160435766 522779752 /nfs/dbraw/zinc/77/97/52/522779752.db2.gz UGODZCHMQWDEEF-RDTXWAMCSA-N 0 3 321.417 2.536 20 70 DFIDHN CSCCN(C)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000160411221 525490859 /nfs/dbraw/zinc/49/08/59/525490859.db2.gz LETPQNJPWVUDDY-GOEBONIOSA-N 0 3 321.490 2.654 20 70 DFIDHN COc1ccc(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1[N+](=O)[O-] ZINC000159588778 186128962 /nfs/dbraw/zinc/12/89/62/186128962.db2.gz BVRYZDPIBVEMKC-RCBQFDQVSA-N 0 3 318.373 2.651 20 70 DFIDHN CCC[C@@H](C(=O)N[C@@H]1CCCN(c2ccccc2)C1)N(C)C ZINC000159603490 186130490 /nfs/dbraw/zinc/13/04/90/186130490.db2.gz WXRWHUZHFGYSRP-WBVHZDCISA-N 0 3 303.450 2.502 20 70 DFIDHN CCOc1cccc(CNC(=O)CN2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000159719714 398966395 /nfs/dbraw/zinc/96/63/95/398966395.db2.gz WUYGRZLVWDVVTP-WMZOPIPTSA-N 0 3 316.445 2.966 20 70 DFIDHN O=C(N[C@H]1CCN(CC2CC2)C1)N(Cc1cccs1)C1CC1 ZINC000160738036 398971919 /nfs/dbraw/zinc/97/19/19/398971919.db2.gz ROTASJBZLCINKF-AWEZNQCLSA-N 0 3 319.474 2.906 20 70 DFIDHN CCN(CCCCS(C)(=O)=O)[C@H](C)c1ccc(C#N)cc1 ZINC000161476036 398977182 /nfs/dbraw/zinc/97/71/82/398977182.db2.gz UNACUVXAQSGWNR-CQSZACIVSA-N 0 3 308.447 2.766 20 70 DFIDHN C[C@@H](Cc1ccccc1F)C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000160268294 197396300 /nfs/dbraw/zinc/39/63/00/197396300.db2.gz ACDVINIKFLNJSM-OFQRWUPVSA-N 0 3 304.409 2.699 20 70 DFIDHN Cc1cccc([C@@H](NC(=O)CN(C)C(C)C)c2ccccn2)c1 ZINC000160075319 197383462 /nfs/dbraw/zinc/38/34/62/197383462.db2.gz YNQNAAFBZXTKKM-LJQANCHMSA-N 0 3 311.429 2.936 20 70 DFIDHN CSCC[C@@H](N)C(=O)N1CCC[C@](C)(c2ccccc2)C1 ZINC000160105865 197386390 /nfs/dbraw/zinc/38/63/90/197386390.db2.gz TVYIGLHCPNVOFC-WBVHZDCISA-N 0 3 306.475 2.647 20 70 DFIDHN CCOC(=O)[C@@H](C)N(CC)CC1CCN(c2ccccn2)CC1 ZINC000160007990 197379730 /nfs/dbraw/zinc/37/97/30/197379730.db2.gz KJTCTJLPSQCKBQ-OAHLLOKOSA-N 0 3 319.449 2.572 20 70 DFIDHN C[C@H](CN[C@@H]1CCCc2c1cnn2C)N1CCc2ccccc21 ZINC000159937704 197375241 /nfs/dbraw/zinc/37/52/41/197375241.db2.gz MYWJZDFYOYGAPL-RHSMWYFYSA-N 0 3 310.445 2.838 20 70 DFIDHN CCN1CCCN(C(=O)N[C@@H](C)Cc2ccc(C)s2)CC1 ZINC000159888093 197370563 /nfs/dbraw/zinc/37/05/63/197370563.db2.gz LZYYKFZXPBQXDZ-ZDUSSCGKSA-N 0 3 309.479 2.725 20 70 DFIDHN C[C@H](CN[C@@H](C)c1cnn(C)c1)N1CCc2sccc2C1 ZINC000159860685 197369072 /nfs/dbraw/zinc/36/90/72/197369072.db2.gz WSWUGAVUVNNGNV-OLZOCXBDSA-N 0 3 304.463 2.579 20 70 DFIDHN CCN1CCCN(C(=O)NCCc2csc(C(C)C)n2)CC1 ZINC000159801856 197365442 /nfs/dbraw/zinc/36/54/42/197365442.db2.gz FGBJAGQRWZRTML-UHFFFAOYSA-N 0 3 324.494 2.546 20 70 DFIDHN COc1ccc(OC)c(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000159488851 197357409 /nfs/dbraw/zinc/35/74/09/197357409.db2.gz VIVGVJRZWRQZIF-OIISXLGYSA-N 0 3 303.402 2.751 20 70 DFIDHN CCN1CCCN(C(=O)N[C@H](C)CCc2ccccc2)CC1 ZINC000159510286 197359953 /nfs/dbraw/zinc/35/99/53/197359953.db2.gz NQZZAWXVDTVIKC-MRXNPFEDSA-N 0 3 303.450 2.745 20 70 DFIDHN CCCCn1ncc(NC(=O)N[C@H]2CCN(CC3CC3)C2)c1C ZINC000159876139 542720007 /nfs/dbraw/zinc/72/00/07/542720007.db2.gz AGRBSMSWUTZMIQ-HNNXBMFYSA-N 0 3 319.453 2.597 20 70 DFIDHN CN(Cc1ccccc1)CC(C)(C)NC(=O)NC1CC=CC1 ZINC000159885705 542720302 /nfs/dbraw/zinc/72/03/02/542720302.db2.gz JDRJMZITADWRIT-UHFFFAOYSA-N 0 3 301.434 2.915 20 70 DFIDHN Cc1ccc(NC(=O)N(CCN(C)C)Cc2ccco2)cn1 ZINC000161428288 542729673 /nfs/dbraw/zinc/72/96/73/542729673.db2.gz HXOYQVUOPRFNFQ-UHFFFAOYSA-N 0 3 302.378 2.579 20 70 DFIDHN Cc1nc2n(n1)C[C@H](N[C@@H](C)c1cc(F)c(F)c(F)c1)CC2 ZINC000160425763 425982286 /nfs/dbraw/zinc/98/22/86/425982286.db2.gz LQVIUMHLGLIBPK-GZMMTYOYSA-N 0 3 310.323 2.669 20 70 DFIDHN COC(=O)Cc1cccc(NC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)c1 ZINC000160493108 425984491 /nfs/dbraw/zinc/98/44/91/425984491.db2.gz MEGCGENDVIZLLJ-MCIONIFRSA-N 0 3 318.417 2.602 20 70 DFIDHN CCOc1ccccc1[C@@H](C)N[C@H]1CCc2nc(C)nn2C1 ZINC000160527263 425985211 /nfs/dbraw/zinc/98/52/11/425985211.db2.gz WNARQSYWUCYUSS-OCCSQVGLSA-N 0 3 300.406 2.651 20 70 DFIDHN COc1ccc(Cl)cc1[C@@H](C)N[C@H]1CCc2nc(C)nn2C1 ZINC000160529375 425986613 /nfs/dbraw/zinc/98/66/13/425986613.db2.gz YKCVUIBRHRPGLB-MFKMUULPSA-N 0 3 320.824 2.914 20 70 DFIDHN C[C@H]1CC[C@H](NCC(=O)NCC(F)(F)F)c2ccccc21 ZINC000160593452 425988975 /nfs/dbraw/zinc/98/89/75/425988975.db2.gz AWQKUSZTLRHCTI-GWCFXTLKSA-N 0 3 300.324 2.893 20 70 DFIDHN COc1ccc([C@H](C)NC[C@H]2CCCC[C@@H]2O)cc1NC(C)=O ZINC000160591821 425989110 /nfs/dbraw/zinc/98/91/10/425989110.db2.gz OFNIFZVBCSYNIE-MJEQTWJJSA-N 0 3 320.433 2.855 20 70 DFIDHN CC(C)[C@H](C(=O)NCCc1csc(C(C)(C)C)n1)N(C)C ZINC000160608238 425990187 /nfs/dbraw/zinc/99/01/87/425990187.db2.gz QNBBLPKZVSHUPT-CYBMUJFWSA-N 0 3 311.495 2.686 20 70 DFIDHN COC[C@@H](N[C@H](CN1CCCC1=O)c1ccccc1)C(C)C ZINC000160753105 425994169 /nfs/dbraw/zinc/99/41/69/425994169.db2.gz WRPWOHSYQFZJBZ-IAGOWNOFSA-N 0 3 304.434 2.611 20 70 DFIDHN CCCCNC(=O)[C@@H](C)N[C@H](C)c1ccccc1-n1cccn1 ZINC000160790732 425996268 /nfs/dbraw/zinc/99/62/68/425996268.db2.gz NUJOISNCBAYQCO-HUUCEWRRSA-N 0 3 314.433 2.828 20 70 DFIDHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)[C@@H]1CCCCO1 ZINC000160875571 425999501 /nfs/dbraw/zinc/99/95/01/425999501.db2.gz FXWWRWVNAQNGRP-IRXDYDNUSA-N 0 3 302.418 2.509 20 70 DFIDHN C[C@H](CN[C@H]1CCCc2c1cnn2C)N(C)Cc1ccccc1 ZINC000160894200 426000083 /nfs/dbraw/zinc/00/00/83/426000083.db2.gz AYCPYLROKHEHHB-QAPCUYQASA-N 0 3 312.461 2.908 20 70 DFIDHN COc1ccc(CNC(=O)CN[C@@H]2c3ccccc3C[C@H]2C)cc1 ZINC000160975196 426004339 /nfs/dbraw/zinc/00/43/39/426004339.db2.gz FIWMCZKHLNCFAZ-VLIAUNLRSA-N 0 3 324.424 2.835 20 70 DFIDHN O=C(c1cncc(F)c1)N1C[C@@H]2CCCN2Cc2ccccc21 ZINC000159388995 425958671 /nfs/dbraw/zinc/95/86/71/425958671.db2.gz JLQHPZNXXKOPDN-INIZCTEOSA-N 0 3 311.360 2.846 20 70 DFIDHN CCn1cnnc1[C@H]1CCCN(Cc2c(C)nc3ccccn32)C1 ZINC000159441429 425960758 /nfs/dbraw/zinc/96/07/58/425960758.db2.gz JQLWVNGTSZVPFQ-HNNXBMFYSA-N 0 3 324.432 2.634 20 70 DFIDHN COc1cc(CN2C[C@@H](C(N)=O)CC[C@H]2C)ccc1OC(C)C ZINC000159532761 425961363 /nfs/dbraw/zinc/96/13/63/425961363.db2.gz YHXDDJKGUNXNNU-HIFRSBDPSA-N 0 3 320.433 2.568 20 70 DFIDHN CC[C@H](C)[C@H](N)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000159498757 425962067 /nfs/dbraw/zinc/96/20/67/425962067.db2.gz CFKNETXCCHXZBR-YUMQZZPRSA-N 0 3 320.277 2.703 20 70 DFIDHN CCCS(=O)(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000160018709 425972424 /nfs/dbraw/zinc/97/24/24/425972424.db2.gz DXIORVWYKARHHM-WBVHZDCISA-N 0 3 324.490 2.711 20 70 DFIDHN CCCCN(C(=O)C[C@H]1CNCCO1)[C@@H](C)c1ccccc1 ZINC000160183861 425976843 /nfs/dbraw/zinc/97/68/43/425976843.db2.gz CNONZTPSPBQCFV-RDJZCZTQSA-N 0 3 304.434 2.755 20 70 DFIDHN CC[C@@H](N[C@H](CCO)CSC)c1ccc(OC)c(OC)c1 ZINC000160243880 425978021 /nfs/dbraw/zinc/97/80/21/425978021.db2.gz KHWHIOOTMKFVGU-ZIAGYGMSSA-N 0 3 313.463 2.859 20 70 DFIDHN C#CCCCCNC(=O)NCCCN1CCc2ccccc2C1 ZINC000160292967 425978126 /nfs/dbraw/zinc/97/81/26/425978126.db2.gz ZWGQHCDSHHZNDW-UHFFFAOYSA-N 0 3 313.445 2.538 20 70 DFIDHN Cc1ccc2cc(C(=O)N3CC[C@H](N4CCCC4)C3)ccc2n1 ZINC000161465400 426025262 /nfs/dbraw/zinc/02/52/62/426025262.db2.gz ADIFZRFDFIQTGI-KRWDZBQOSA-N 0 3 309.413 2.854 20 70 DFIDHN C[C@H]1CCN(C(=O)CNC[C@@H]2CCCO2)[C@@H]1c1cccc(F)c1 ZINC000161485713 426026440 /nfs/dbraw/zinc/02/64/40/426026440.db2.gz VINXYTKLLXXKJR-OWQGQXMQSA-N 0 3 320.408 2.504 20 70 DFIDHN COC(=O)c1cc(CN2CC[C@@]3(O)CCCC[C@@H]3C2)c(C)s1 ZINC000161136298 426010011 /nfs/dbraw/zinc/01/00/11/426010011.db2.gz ACFQAIPHRNEBBM-PBHICJAKSA-N 0 3 323.458 2.970 20 70 DFIDHN CSCC[C@@H](N)C(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000161153142 426011755 /nfs/dbraw/zinc/01/17/55/426011755.db2.gz CNKCZUBTFACNBY-QPUJVOFHSA-N 0 3 304.818 2.737 20 70 DFIDHN CCCN(CCO)Cc1ccc(OC(F)F)c(OCC)c1 ZINC000161232233 426013840 /nfs/dbraw/zinc/01/38/40/426013840.db2.gz CJYZIZBGDAZODR-UHFFFAOYSA-N 0 3 303.349 2.891 20 70 DFIDHN CCN1CCCC[C@H]1CN[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000161210835 426014059 /nfs/dbraw/zinc/01/40/59/426014059.db2.gz VWUSWCYVZDIDBF-HOCLYGCPSA-N 0 3 324.490 2.615 20 70 DFIDHN N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000161258562 426014703 /nfs/dbraw/zinc/01/47/03/426014703.db2.gz WEOBXUNHZWKYQJ-RBUKOAKNSA-N 0 3 308.425 2.694 20 70 DFIDHN CCn1cnnc1[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000161270622 426016396 /nfs/dbraw/zinc/01/63/96/426016396.db2.gz GDXNSSNPSAMATA-AWEZNQCLSA-N 0 3 315.377 2.586 20 70 DFIDHN CC(=O)NC1CCC(NCc2coc(-c3cccs3)n2)CC1 ZINC000161367585 426021387 /nfs/dbraw/zinc/02/13/87/426021387.db2.gz WQFYYFJNRYXQLK-UHFFFAOYSA-N 0 3 319.430 2.940 20 70 DFIDHN Fc1ccccc1CN1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000161396117 426022142 /nfs/dbraw/zinc/02/21/42/426022142.db2.gz VQASMWPRSZNKMA-CQSZACIVSA-N 0 3 300.381 2.743 20 70 DFIDHN C[C@@H](NCc1c[nH]cn1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000218176960 426566341 /nfs/dbraw/zinc/56/63/41/426566341.db2.gz JUVNBVUCISQGSU-OLZOCXBDSA-N 0 3 308.426 2.535 20 70 DFIDHN COc1ccc(OC)c([C@@H]2CCCN2C[C@@H](O)COC(C)C)c1 ZINC000216896792 426562803 /nfs/dbraw/zinc/56/28/03/426562803.db2.gz CZHANKDCQGFTNY-PBHICJAKSA-N 0 3 323.433 2.627 20 70 DFIDHN CC(C)c1ccc(CN2C[C@@H](C(N)=O)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000159605261 278036857 /nfs/dbraw/zinc/03/68/57/278036857.db2.gz KAXZVXFYBQVIQO-JSGCOSHPSA-N 0 3 319.405 2.804 20 70 DFIDHN Cc1cc(C)cc(-c2nnc(NC(=O)[C@H](N)C(C)C)s2)c1 ZINC000160117986 280413068 /nfs/dbraw/zinc/41/30/68/280413068.db2.gz VKGDQDGECHGFFM-GFCCVEGCSA-N 0 3 304.419 2.744 20 70 DFIDHN CN(C)C[C@@H](NC(=O)NC[C@@]1(C)CCCS1)c1ccccc1 ZINC000159442269 289188778 /nfs/dbraw/zinc/18/87/78/289188778.db2.gz PALQLQWVZPWOLY-NVXWUHKLSA-N 0 3 321.490 2.874 20 70 DFIDHN COc1cc(C)cc(CNC(=O)N[C@H](CC(C)C)CN(C)C)c1 ZINC000159639526 295379358 /nfs/dbraw/zinc/37/93/58/295379358.db2.gz IACQFQGMMFJSPI-MRXNPFEDSA-N 0 3 321.465 2.779 20 70 DFIDHN C[C@@H](CN1CCCCC1)NC(=O)N1CCc2cccc(F)c2C1 ZINC000159725907 295380903 /nfs/dbraw/zinc/38/09/03/295380903.db2.gz IIZORZHZIKTETD-AWEZNQCLSA-N 0 3 319.424 2.768 20 70 DFIDHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCc2cccc(F)c2C1 ZINC000159735299 295381340 /nfs/dbraw/zinc/38/13/40/295381340.db2.gz QWQSFBOHXOXWHT-OAHLLOKOSA-N 0 3 321.440 2.870 20 70 DFIDHN CC(C)N(CCNC(=O)OC(C)(C)C)CCc1nccs1 ZINC000159774561 295381790 /nfs/dbraw/zinc/38/17/90/295381790.db2.gz OKJKADCNGFZYLE-UHFFFAOYSA-N 0 3 313.467 2.921 20 70 DFIDHN C[C@]1(C(=O)NCCN2CCCCC2)CCCc2ccccc21 ZINC000160246001 295388413 /nfs/dbraw/zinc/38/84/13/295388413.db2.gz MTWHKJBLMJARKI-IBGZPJMESA-N 0 3 300.446 2.883 20 70 DFIDHN Cc1cccc2[nH]c(CNC(=O)[C@H](C)N3CCCCCC3)nc21 ZINC000160315826 295389988 /nfs/dbraw/zinc/38/99/88/295389988.db2.gz VXLDEVDWXBZTFO-AWEZNQCLSA-N 0 3 314.433 2.752 20 70 DFIDHN Cc1cccc2nc(CNC(=O)[C@H](C)N3CCCCCC3)[nH]c21 ZINC000160315826 295389990 /nfs/dbraw/zinc/38/99/90/295389990.db2.gz VXLDEVDWXBZTFO-AWEZNQCLSA-N 0 3 314.433 2.752 20 70 DFIDHN C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)CN1CCC(C)CC1 ZINC000160458804 295391454 /nfs/dbraw/zinc/39/14/54/295391454.db2.gz RYRYESDBFAMOMM-HNNXBMFYSA-N 0 3 304.434 2.514 20 70 DFIDHN CC[C@@H](C)CN(CC)[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000160536812 295392407 /nfs/dbraw/zinc/39/24/07/295392407.db2.gz CQJXHXVELOTTFE-KGLIPLIRSA-N 0 3 317.433 2.728 20 70 DFIDHN CC(C)C[C@@H](CN(C)C)NC(=O)NC[C@]1(C)CCCS1 ZINC000160814243 295395435 /nfs/dbraw/zinc/39/54/35/295395435.db2.gz YQGKVNGSCLDEQY-ZFWWWQNUSA-N 0 3 301.500 2.548 20 70 DFIDHN CCc1cc(=O)[n-]c(C[N@H+](C)CCCc2ccc(OC)cc2)n1 ZINC000160976611 295397071 /nfs/dbraw/zinc/39/70/71/295397071.db2.gz QIWHNNSQEFEPJO-UHFFFAOYSA-N 0 3 315.417 2.818 20 70 DFIDHN CCc1cc(=O)[n-]c(C[N@@H+](C)CCCc2ccc(OC)cc2)n1 ZINC000160976611 295397073 /nfs/dbraw/zinc/39/70/73/295397073.db2.gz QIWHNNSQEFEPJO-UHFFFAOYSA-N 0 3 315.417 2.818 20 70 DFIDHN CCCNC(=O)C1(NCc2cnc3ccccn23)CCCCC1 ZINC000160974752 295397109 /nfs/dbraw/zinc/39/71/09/295397109.db2.gz YMGVYRLKSXNRIY-UHFFFAOYSA-N 0 3 314.433 2.653 20 70 DFIDHN CCOC[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000160196216 520117091 /nfs/dbraw/zinc/11/70/91/520117091.db2.gz CTRDQOBFGMRFGO-CYBMUJFWSA-N 0 3 309.406 2.658 20 70 DFIDHN CCOC[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000160196216 520117096 /nfs/dbraw/zinc/11/70/96/520117096.db2.gz CTRDQOBFGMRFGO-CYBMUJFWSA-N 0 3 309.406 2.658 20 70 DFIDHN [O-]c1ccccc1C[N@@H+](CC1=CCCOC1)C[C@@H]1CCCO1 ZINC000160198668 526371566 /nfs/dbraw/zinc/37/15/66/526371566.db2.gz WURHQUGZMAXLGQ-KRWDZBQOSA-N 0 3 303.402 2.720 20 70 DFIDHN [O-]c1ccccc1C[N@H+](CC1=CCCOC1)C[C@@H]1CCCO1 ZINC000160198668 526371569 /nfs/dbraw/zinc/37/15/69/526371569.db2.gz WURHQUGZMAXLGQ-KRWDZBQOSA-N 0 3 303.402 2.720 20 70 DFIDHN COC(CN(C)CCCc1cc(-c2ccccc2)n[nH]1)OC ZINC000160799015 536501475 /nfs/dbraw/zinc/50/14/75/536501475.db2.gz GRLDYEPYRFGBTQ-UHFFFAOYSA-N 0 3 303.406 2.560 20 70 DFIDHN