smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1n[nH]c(SCc2ccc(Cl)c(Cl)c2)n1 ZINC000006782170 181387938 /nfs/dbraw/zinc/38/79/38/181387938.db2.gz PKZNMVJJZIUWHG-UHFFFAOYSA-N 0 1 302.230 4.527 10 0 DJAEMN CC(C)c1nc(SCc2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000006782170 181387940 /nfs/dbraw/zinc/38/79/40/181387940.db2.gz PKZNMVJJZIUWHG-UHFFFAOYSA-N 0 1 302.230 4.527 10 0 DJAEMN C[C@H](N[C@@H]1CCc2ccccc21)c1ccccc1Br ZINC000020129778 182189694 /nfs/dbraw/zinc/18/96/94/182189694.db2.gz XSSFXMSGTDWUKQ-YVEFUNNKSA-N 0 1 316.242 4.787 10 0 DJAEMN C[C@H](N[C@H]1CCc2ccccc21)c1ccccc1Br ZINC000020129782 182190156 /nfs/dbraw/zinc/19/01/56/182190156.db2.gz XSSFXMSGTDWUKQ-SJCJKPOMSA-N 0 1 316.242 4.787 10 0 DJAEMN Cc1ccccc1[C@@H](N)c1cc2cc(Br)ccc2o1 ZINC000020592752 182235916 /nfs/dbraw/zinc/23/59/16/182235916.db2.gz FOPLNCKYNVIFHJ-MRXNPFEDSA-N 0 1 316.198 4.552 10 0 DJAEMN CCCOc1ccc(-c2nc3ccc(C)cc3[nH]2)cc1OCC ZINC000041006014 183155911 /nfs/dbraw/zinc/15/59/11/183155911.db2.gz DMUMKXDMMVBWOP-UHFFFAOYSA-N 0 1 310.397 4.726 10 0 DJAEMN CCN[C@H](c1ccc(CC)o1)c1ccc(Br)cc1C ZINC000051727630 183835488 /nfs/dbraw/zinc/83/54/88/183835488.db2.gz DRYXAMFJQXHIBY-INIZCTEOSA-N 0 1 322.246 4.612 10 0 DJAEMN Cc1ccc(C)c(CN[C@@H](C)c2ccccc2Br)c1 ZINC000042275033 336238437 /nfs/dbraw/zinc/23/84/37/336238437.db2.gz BUQFOKRHTTZFLF-AWEZNQCLSA-N 0 1 318.258 4.917 10 0 DJAEMN CCc1ccc(CN[C@H](C)c2ccccc2Br)cc1 ZINC000034992199 336384918 /nfs/dbraw/zinc/38/49/18/336384918.db2.gz IPAUISZEEXKZPB-CYBMUJFWSA-N 0 1 318.258 4.862 10 0 DJAEMN COc1cccc([C@H](C)N[C@@H](c2ccccc2)c2cccnc2)c1 ZINC000177290004 337156737 /nfs/dbraw/zinc/15/67/37/337156737.db2.gz NGIPXHHAGBBNIO-KKSFZXQISA-N 0 1 318.420 4.530 10 0 DJAEMN CC[C@H](N[C@@H]1CCOc2ccccc21)c1ccc(F)cc1F ZINC000178275357 337161954 /nfs/dbraw/zinc/16/19/54/337161954.db2.gz QVPQUQPIRLMPJG-DLBZAZTESA-N 0 1 303.352 4.529 10 0 DJAEMN CC[C@H](N[C@H](c1ccccc1)c1cccnc1)c1cccs1 ZINC000178609546 337165355 /nfs/dbraw/zinc/16/53/55/337165355.db2.gz DXNUSCCEFXPKLQ-PKOBYXMFSA-N 0 1 308.450 4.973 10 0 DJAEMN CC[C@H](N[C@H](c1ccccc1)c1cccnc1)c1ccccc1 ZINC000178607969 337165369 /nfs/dbraw/zinc/16/53/69/337165369.db2.gz KDBZTIDMHBQUTG-LEWJYISDSA-N 0 1 302.421 4.912 10 0 DJAEMN Cc1ccc2c(c1)[C@H](N[C@@H](c1ccccc1)c1cccnc1)CC2 ZINC000178611893 337165487 /nfs/dbraw/zinc/16/54/87/337165487.db2.gz CZDKLKNQJNUKSO-YADHBBJMSA-N 0 1 314.432 4.757 10 0 DJAEMN CC1(C)C[C@@H](N[C@@H]2CCCOc3ccccc32)c2ccccc2O1 ZINC000133593976 337445761 /nfs/dbraw/zinc/44/57/61/337445761.db2.gz OCCIDJKJOSYZPX-QZTJIDSGSA-N 0 1 323.436 4.792 10 0 DJAEMN CCn1c2ccccc2nc1[C@@H](C)NCc1cc(C)sc1C ZINC000177788432 341938103 /nfs/dbraw/zinc/93/81/03/341938103.db2.gz OYUZHAAIQVARSU-CYBMUJFWSA-N 0 1 313.470 4.585 10 0 DJAEMN O=C(/C=C/c1ccccc1)/C=C/c1cc(Cl)cc(Cl)c1O ZINC000048552943 563924039 /nfs/dbraw/zinc/92/40/39/563924039.db2.gz YANZNNFYCBFHHB-CDJQDVQCSA-N 0 1 319.187 4.995 10 0 DJAEMN O=c1c2cc(Cl)ccc2[nH]c(=S)n1C1CCCCCCC1 ZINC000073659468 191338515 /nfs/dbraw/zinc/33/85/15/191338515.db2.gz UFCISGROKKTYTR-UHFFFAOYSA-N 0 1 322.861 4.624 10 0 DJAEMN O=C(Nc1cc(Cl)ccc1Cl)c1ccc(Cl)cc1O ZINC000019981020 182172915 /nfs/dbraw/zinc/17/29/15/182172915.db2.gz YTVFVIAHVQCRKB-UHFFFAOYSA-N 0 1 316.571 4.605 10 0 DJAEMN C[C@H](N[C@@H](C)c1ccccc1Br)c1cccs1 ZINC000020148295 182192597 /nfs/dbraw/zinc/19/25/97/182192597.db2.gz VUYNTVQDPWWEOI-QWRGUYRKSA-N 0 1 310.260 4.922 10 0 DJAEMN COc1ccc(Nc2ccnc3c(C)cc(C)cc23)c(OC)c1 ZINC000041054961 183159141 /nfs/dbraw/zinc/15/91/41/183159141.db2.gz MXFVHYUPZHSDPV-UHFFFAOYSA-N 0 1 308.381 4.612 10 0 DJAEMN Cc1ccc([C@H](C)NCc2sccc2Br)s1 ZINC000043675336 183378880 /nfs/dbraw/zinc/37/88/80/183378880.db2.gz RQSRCSYCJYYJKJ-VIFPVBQESA-N 0 1 316.289 4.731 10 0 DJAEMN COc1ccc2c(c1)CCC[C@@H]2NCc1ccsc1Cl ZINC000312769763 331734144 /nfs/dbraw/zinc/73/41/44/331734144.db2.gz PYMMZBZPSQXHQC-HNNXBMFYSA-N 0 1 307.846 4.577 10 0 DJAEMN CCN(Cc1ccccc1C)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000101726255 334351067 /nfs/dbraw/zinc/35/10/67/334351067.db2.gz ZWPYEVJSYOYWOL-INIZCTEOSA-N 0 1 321.424 4.628 10 0 DJAEMN Cc1c2ccccc2oc1[C@H](C)N[C@H]1CCOc2ccccc21 ZINC000193002703 336286914 /nfs/dbraw/zinc/28/69/14/336286914.db2.gz MRBGOBOKYITRTB-YOEHRIQHSA-N 0 1 307.393 4.916 10 0 DJAEMN CCc1cnc([C@@H](C)Nc2ccnc3cc(F)ccc32)s1 ZINC000301587519 336316677 /nfs/dbraw/zinc/31/66/77/336316677.db2.gz WNURQPLMXGLECQ-SNVBAGLBSA-N 0 1 301.390 4.566 10 0 DJAEMN c1ccc([C@H](N[C@H]2CCCc3ccccc32)c2cccnc2)cc1 ZINC000178612819 337165408 /nfs/dbraw/zinc/16/54/08/337165408.db2.gz UIBDAHIQKFRILK-VXKWHMMOSA-N 0 1 314.432 4.838 10 0 DJAEMN Cc1ccc2nc(NC(=O)Nc3cccc4ccccc43)[nH]c2c1 ZINC000584649951 337380652 /nfs/dbraw/zinc/38/06/52/337380652.db2.gz FOZFXUWGNYYRRX-UHFFFAOYSA-N 0 1 316.364 4.669 10 0 DJAEMN CC[C@H](N[C@H]1CCOc2ccccc21)c1cc(C)ccc1OC ZINC000093369660 337915713 /nfs/dbraw/zinc/91/57/13/337915713.db2.gz HYYKTFPFXLRKOQ-ROUUACIJSA-N 0 1 311.425 4.568 10 0 DJAEMN C[C@@H](N[C@@H]1CCc2cc(Cl)ccc21)c1cc(F)ccc1F ZINC000083477069 337994945 /nfs/dbraw/zinc/99/49/45/337994945.db2.gz GOOBCXMIFSIIPR-BMLIUANNSA-N 0 1 307.771 4.956 10 0 DJAEMN C[C@H](N[C@@H]1CCOc2ccccc21)c1ccc(F)c(Cl)c1 ZINC000037074254 340746042 /nfs/dbraw/zinc/74/60/42/340746042.db2.gz YKTAJWOQQFFKFB-MEDUHNTESA-N 0 1 305.780 4.654 10 0 DJAEMN Cc1nn(C)c(C)c1[C@H]1CCCN1[C@H](C)c1ccccc1Cl ZINC000247537312 341366765 /nfs/dbraw/zinc/36/67/65/341366765.db2.gz COXFYFYEYURLKS-CXAGYDPISA-N 0 1 317.864 4.588 10 0 DJAEMN C[C@H](N[C@H]1CC2(CCCC2)Oc2ccccc21)c1cccnc1 ZINC000158564157 525602453 /nfs/dbraw/zinc/60/24/53/525602453.db2.gz QXYYONPYMTUHHQ-YJBOKZPZSA-N 0 1 308.425 4.569 10 0 DJAEMN C[C@@H](N[C@H]1CC2(CCCC2)Oc2ccccc21)c1cccnc1 ZINC000158564294 525672901 /nfs/dbraw/zinc/67/29/01/525672901.db2.gz QXYYONPYMTUHHQ-QAPCUYQASA-N 0 1 308.425 4.569 10 0 DJAEMN Cc1c([C@H](C)N[C@@H](C)c2ccc(F)c(Cl)c2)cnn1C(C)C ZINC000191205550 525921563 /nfs/dbraw/zinc/92/15/63/525921563.db2.gz CAVUNDTUUDASMH-RYUDHWBXSA-N 0 1 323.843 4.977 10 0 DJAEMN Cc1c([C@H](C)N[C@H](C)c2ccc(F)c(Cl)c2)cnn1C(C)C ZINC000191205582 525925333 /nfs/dbraw/zinc/92/53/33/525925333.db2.gz CAVUNDTUUDASMH-NEPJUHHUSA-N 0 1 323.843 4.977 10 0 DJAEMN CC1(C)C[C@@H](NCc2ccc(Cl)cc2)c2ccccc2O1 ZINC000082504905 185187707 /nfs/dbraw/zinc/18/77/07/185187707.db2.gz VLJMXYPRAUSTNZ-MRXNPFEDSA-N 0 1 301.817 4.732 10 0 DJAEMN CC(C)c1cccc2c(Nc3cccc(C(=O)[O-])c3)cc[nH+]c21 ZINC000072236875 191080838 /nfs/dbraw/zinc/08/08/38/191080838.db2.gz LFUSHOYPQNTSOS-UHFFFAOYSA-N 0 1 306.365 4.800 10 0 DJAEMN CC(C)c1cccc2c(Nc3ccc(C(=O)[O-])cc3)cc[nH+]c21 ZINC000072236872 191080062 /nfs/dbraw/zinc/08/00/62/191080062.db2.gz YLRKKWCKIYPUPY-UHFFFAOYSA-N 0 1 306.365 4.800 10 0 DJAEMN Cc1cccc(CN[C@@H](C)c2ccccc2Br)c1 ZINC000020134057 182190762 /nfs/dbraw/zinc/19/07/62/182190762.db2.gz MXEDDUUYSZTHRS-ZDUSSCGKSA-N 0 1 304.231 4.608 10 0 DJAEMN COc1ccc(OC)c(Nc2ccnc3c(C)c(C)ccc23)c1 ZINC000041055334 183160061 /nfs/dbraw/zinc/16/00/61/183160061.db2.gz DEGGZDOYEIHUOY-UHFFFAOYSA-N 0 1 308.381 4.612 10 0 DJAEMN Cc1cccc(-c2cc(Nc3ccncc3)c3ccccc3n2)n1 ZINC000042923194 183319341 /nfs/dbraw/zinc/31/93/41/183319341.db2.gz OUYYGKQETOODJA-UHFFFAOYSA-N 0 1 312.376 4.744 10 0 DJAEMN COc1cc2nccc(Nc3cccc(Cl)c3)c2cc1OC ZINC000065005239 184308518 /nfs/dbraw/zinc/30/85/18/184308518.db2.gz WCJLAKHSUPDJNS-UHFFFAOYSA-N 0 1 314.772 4.649 10 0 DJAEMN Cc1nc(C)c([C@H](C)N[C@H]2CC(C)(C)Oc3ccccc32)s1 ZINC000178000898 333000947 /nfs/dbraw/zinc/00/09/47/333000947.db2.gz TYSVXRXTXLFLPC-WFASDCNBSA-N 0 1 316.470 4.713 10 0 DJAEMN Cc1nc(C)c([C@H](C)N[C@@H]2CC(C)(C)Oc3ccccc32)s1 ZINC000178000881 333001007 /nfs/dbraw/zinc/00/10/07/333001007.db2.gz TYSVXRXTXLFLPC-SWLSCSKDSA-N 0 1 316.470 4.713 10 0 DJAEMN Cc1ccc([C@@H](C)N[C@H]2CCc3cc(Br)ccc32)o1 ZINC000040227004 333341573 /nfs/dbraw/zinc/34/15/73/333341573.db2.gz ZQGYNBMAULFTIR-ABAIWWIYSA-N 0 1 320.230 4.689 10 0 DJAEMN C[C@@H](N[C@H]1CCOc2ccccc21)c1ccc(C(F)(F)F)cc1 ZINC000192793108 336261971 /nfs/dbraw/zinc/26/19/71/336261971.db2.gz AFQRLZYSOHJVMN-WBMJQRKESA-N 0 1 321.342 4.880 10 0 DJAEMN Cc1c2ccccc2oc1[C@@H](C)N[C@H]1CCOc2ccccc21 ZINC000193002688 336286856 /nfs/dbraw/zinc/28/68/56/336286856.db2.gz MRBGOBOKYITRTB-PBHICJAKSA-N 0 1 307.393 4.916 10 0 DJAEMN Cc1ccc([C@H](C)N[C@H](C)c2cc(Br)cs2)o1 ZINC000193947856 337080784 /nfs/dbraw/zinc/08/07/84/337080784.db2.gz WUVLXZHDBBBNHY-VHSXEESVSA-N 0 1 314.248 4.824 10 0 DJAEMN Cc1cc(C)c2c(c1)[C@H](N[C@@H]1CCOc3ccccc31)CCCO2 ZINC000178277375 337161935 /nfs/dbraw/zinc/16/19/35/337161935.db2.gz ANCOLIAYTMBEIJ-RTBURBONSA-N 0 1 323.436 4.631 10 0 DJAEMN COc1ccc([C@H](C)N[C@H](c2ccccc2)c2cccnc2)cc1 ZINC000178612864 337165385 /nfs/dbraw/zinc/16/53/85/337165385.db2.gz KDVHNJAOWBRQMC-HRAATJIYSA-N 0 1 318.420 4.530 10 0 DJAEMN Cc1ccccc1[C@@H](C)N[C@H](c1ccccc1)c1cccnc1 ZINC000178611654 337165433 /nfs/dbraw/zinc/16/54/33/337165433.db2.gz QONXVOLBJDAFGU-DYESRHJHSA-N 0 1 302.421 4.830 10 0 DJAEMN CC1(C)C[C@@H](NCc2ccc(Cl)s2)c2ccccc2O1 ZINC000152994945 338215310 /nfs/dbraw/zinc/21/53/10/338215310.db2.gz WDZZFUNYPKVMQH-CYBMUJFWSA-N 0 1 307.846 4.794 10 0 DJAEMN CCCOc1cccc(CN[C@H](C)c2ccccc2Cl)c1 ZINC000037996735 340788998 /nfs/dbraw/zinc/78/89/98/340788998.db2.gz ROHCMKQABYBNRI-CQSZACIVSA-N 0 1 303.833 4.980 10 0 DJAEMN COc1ccccc1[C@@H](C)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000128941709 340930141 /nfs/dbraw/zinc/93/01/41/340930141.db2.gz KDFTVWJGKNZGMU-PBHICJAKSA-N 0 1 311.425 4.648 10 0 DJAEMN CC(C)c1n[nH]c(SCc2c(Cl)cccc2Cl)n1 ZINC000006782169 181387322 /nfs/dbraw/zinc/38/73/22/181387322.db2.gz IEYOGKFJKSTPGL-UHFFFAOYSA-N 0 1 302.230 4.527 10 0 DJAEMN CC(C)c1nc(SCc2c(Cl)cccc2Cl)n[nH]1 ZINC000006782169 181387324 /nfs/dbraw/zinc/38/73/24/181387324.db2.gz IEYOGKFJKSTPGL-UHFFFAOYSA-N 0 1 302.230 4.527 10 0 DJAEMN C[C@@H](N[C@@H]1CCc2ccccc21)c1ccccc1Br ZINC000020129777 182189673 /nfs/dbraw/zinc/18/96/73/182189673.db2.gz XSSFXMSGTDWUKQ-SJKOYZFVSA-N 0 1 316.242 4.787 10 0 DJAEMN Cc1cccc2cc([C@H](N)c3ccc(Br)cc3)oc21 ZINC000020389227 182213332 /nfs/dbraw/zinc/21/33/32/182213332.db2.gz GUYWJLXFILWQGP-OAHLLOKOSA-N 0 1 316.198 4.552 10 0 DJAEMN CCCOc1ccc(Cl)cc1CN[C@@H](C)c1ccccc1 ZINC000020928738 182254653 /nfs/dbraw/zinc/25/46/53/182254653.db2.gz WMLGDXWLNXWRPX-AWEZNQCLSA-N 0 1 303.833 4.980 10 0 DJAEMN CC(=O)Nc1ccc(Nc2ccnc3c(C)cc(C)cc23)cc1 ZINC000041054987 183159447 /nfs/dbraw/zinc/15/94/47/183159447.db2.gz BVZIAGRVKFLIGS-UHFFFAOYSA-N 0 1 305.381 4.554 10 0 DJAEMN COc1ccc(Nc2ccnc3c(C)c(C)ccc23)c(OC)c1 ZINC000041055346 183160443 /nfs/dbraw/zinc/16/04/43/183160443.db2.gz KNBFVJYHBMCYAK-UHFFFAOYSA-N 0 1 308.381 4.612 10 0 DJAEMN C[C@@H](N[C@@H](C)c1ccc(F)cn1)c1ccc(Cl)c(Cl)c1 ZINC000092195296 332116353 /nfs/dbraw/zinc/11/63/53/332116353.db2.gz ZHTQGQJIADWDGB-ZJUUUORDSA-N 0 1 313.203 4.939 10 0 DJAEMN C[C@@H](N[C@@H]1CCOc2ccccc21)c1ccc(C(F)(F)F)cc1 ZINC000192793074 336261899 /nfs/dbraw/zinc/26/18/99/336261899.db2.gz AFQRLZYSOHJVMN-MLGOLLRUSA-N 0 1 321.342 4.880 10 0 DJAEMN Cc1c2ccccc2oc1[C@H](C)N[C@@H]1CCOc2ccccc21 ZINC000193002674 336286829 /nfs/dbraw/zinc/28/68/29/336286829.db2.gz MRBGOBOKYITRTB-WMLDXEAASA-N 0 1 307.393 4.916 10 0 DJAEMN CCc1cnc([C@@H](C)Nc2cc(C)nc3ccc(F)cc32)s1 ZINC000301683017 336323177 /nfs/dbraw/zinc/32/31/77/336323177.db2.gz SPVXUILLLPTAJV-LLVKDONJSA-N 0 1 315.417 4.874 10 0 DJAEMN Cc1ccc([C@H](C)N[C@@H]2CCc3ccc(Br)cc32)o1 ZINC000193158992 336619702 /nfs/dbraw/zinc/61/97/02/336619702.db2.gz ZOJWTCTWHIKCBF-XHDPSFHLSA-N 0 1 320.230 4.689 10 0 DJAEMN CSc1ccc([C@@H](C)N[C@H]2CCOc3ccccc32)cc1F ZINC000178273879 337161795 /nfs/dbraw/zinc/16/17/95/337161795.db2.gz FHYURMYHADJPOA-WBMJQRKESA-N 0 1 317.429 4.722 10 0 DJAEMN CSc1ccc([C@@H](C)N[C@@H]2CCOc3ccccc32)cc1F ZINC000178273849 337161903 /nfs/dbraw/zinc/16/19/03/337161903.db2.gz FHYURMYHADJPOA-MLGOLLRUSA-N 0 1 317.429 4.722 10 0 DJAEMN Cc1cc2c(cc1C)[C@H](N[C@H]1CCOc3ccccc31)CCCO2 ZINC000178275213 337162035 /nfs/dbraw/zinc/16/20/35/337162035.db2.gz ZFTRWGLDOGKVMJ-MOPGFXCFSA-N 0 1 323.436 4.631 10 0 DJAEMN CC[C@@H](N[C@@H](c1ccccc1)c1cccnc1)c1ccccc1 ZINC000178607959 337165436 /nfs/dbraw/zinc/16/54/36/337165436.db2.gz KDBZTIDMHBQUTG-RTWAWAEBSA-N 0 1 302.421 4.912 10 0 DJAEMN Cc1ccc([C@H](C)N[C@@H](c2ccccc2)c2cccnc2)s1 ZINC000178606739 337165457 /nfs/dbraw/zinc/16/54/57/337165457.db2.gz CSOWYRYWIRZKPI-KXBFYZLASA-N 0 1 308.450 4.892 10 0 DJAEMN C[C@@H](N[C@H](c1ccccc1)c1cccnc1)c1ccc(F)cc1 ZINC000178612782 337165476 /nfs/dbraw/zinc/16/54/76/337165476.db2.gz CPPWCCZWMMVFOZ-FOIQADDNSA-N 0 1 306.384 4.661 10 0 DJAEMN c1ccc(C(N[C@@H]2CCOc3ccccc32)c2ccccc2)cc1 ZINC000194710672 338723783 /nfs/dbraw/zinc/72/37/83/338723783.db2.gz KSVMTVNDXHKYCQ-HXUWFJFHSA-N 0 1 315.416 4.889 10 0 DJAEMN Cc1ccc([C@@H](C)NCc2cscc2Br)c(C)c1 ZINC000302678994 340278675 /nfs/dbraw/zinc/27/86/75/340278675.db2.gz OYNJRVHZABZHRW-GFCCVEGCSA-N 0 1 324.287 4.978 10 0 DJAEMN COc1ccsc1[C@@H](C)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000186195480 340509353 /nfs/dbraw/zinc/50/93/53/340509353.db2.gz ZSELGCVXKAALEY-TZMCWYRMSA-N 0 1 317.454 4.710 10 0 DJAEMN Cc1c([C@@H](C)N[C@@H](C)c2ccc(C)c(F)c2)cnn1C(C)C ZINC000191338407 340553042 /nfs/dbraw/zinc/55/30/42/340553042.db2.gz FXAZNDPHUZHLPE-UONOGXRCSA-N 0 1 303.425 4.632 10 0 DJAEMN CCCc1nc2ccccc2n1Cc1nc2ccc(Cl)cc2[nH]1 ZINC000073636100 521544633 /nfs/dbraw/zinc/54/46/33/521544633.db2.gz MGNHRFVCNBJMRV-UHFFFAOYSA-N 0 1 324.815 4.567 10 0 DJAEMN Cc1c([C@@H](C)N[C@H](C)c2ccc(F)c(Cl)c2)cnn1C(C)C ZINC000191205566 525903874 /nfs/dbraw/zinc/90/38/74/525903874.db2.gz CAVUNDTUUDASMH-VXGBXAGGSA-N 0 1 323.843 4.977 10 0 DJAEMN Cc1c2cc(Br)ccc2oc1[C@H](N)c1ccccc1 ZINC000020593037 182236003 /nfs/dbraw/zinc/23/60/03/182236003.db2.gz NMEMYXYZMARPDR-OAHLLOKOSA-N 0 1 316.198 4.552 10 0 DJAEMN CCOc1cc(-c2nc3ccc(C)cc3[nH]2)ccc1OC(C)C ZINC000041006032 183155680 /nfs/dbraw/zinc/15/56/80/183155680.db2.gz MOUOADGCYDAQAR-UHFFFAOYSA-N 0 1 310.397 4.724 10 0 DJAEMN CC(C)C[C@H]1CSC(N[C@@H](C)c2ccc(Cl)s2)=N1 ZINC000042591994 183288707 /nfs/dbraw/zinc/28/87/07/183288707.db2.gz FCINJCCHRKTHFH-UWVGGRQHSA-N 0 1 302.896 4.570 10 0 DJAEMN C[C@H](N[C@@H](C)c1ccc(F)cn1)c1ccc(Cl)c(Cl)c1 ZINC000092195295 332116512 /nfs/dbraw/zinc/11/65/12/332116512.db2.gz ZHTQGQJIADWDGB-UWVGGRQHSA-N 0 1 313.203 4.939 10 0 DJAEMN C[C@@H](N[C@@H]1CCOc2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000192792694 336261996 /nfs/dbraw/zinc/26/19/96/336261996.db2.gz UTPCFBIEFKPJQX-MLGOLLRUSA-N 0 1 321.342 4.880 10 0 DJAEMN C=Cn1cc(CN[C@H](C)c2ccc(-c3ccccc3)cc2)cn1 ZINC000194187147 337082520 /nfs/dbraw/zinc/08/25/20/337082520.db2.gz KVGKEAOTKSIJFF-MRXNPFEDSA-N 0 1 303.409 4.501 10 0 DJAEMN Cc1cc(C)c2c(c1)[C@H](N[C@H]1CCOc3ccccc31)CCCO2 ZINC000178277398 337161956 /nfs/dbraw/zinc/16/19/56/337161956.db2.gz ANCOLIAYTMBEIJ-MOPGFXCFSA-N 0 1 323.436 4.631 10 0 DJAEMN C[C@@H](N[C@@H](c1ccccc1)c1cccnc1)c1ccc(F)cc1 ZINC000178612762 337165363 /nfs/dbraw/zinc/16/53/63/337165363.db2.gz CPPWCCZWMMVFOZ-QRWLVFNGSA-N 0 1 306.384 4.661 10 0 DJAEMN Cc1ccccc1[C@H](C)N[C@H](c1ccccc1)c1cccnc1 ZINC000178611664 337165406 /nfs/dbraw/zinc/16/54/06/337165406.db2.gz QONXVOLBJDAFGU-LAUBAEHRSA-N 0 1 302.421 4.830 10 0 DJAEMN Cc1ccccc1[C@H](C)N[C@@H](c1ccccc1)c1cccnc1 ZINC000178611641 337165527 /nfs/dbraw/zinc/16/55/27/337165527.db2.gz QONXVOLBJDAFGU-UWJYYQICSA-N 0 1 302.421 4.830 10 0 DJAEMN C[C@H](N[C@@H]1CCc2cc(Cl)ccc21)c1cc(F)ccc1F ZINC000083477067 337994952 /nfs/dbraw/zinc/99/49/52/337994952.db2.gz GOOBCXMIFSIIPR-DYZYQPBXSA-N 0 1 307.771 4.956 10 0 DJAEMN CCc1nc(C)c(CN[C@@H](c2ccc(F)c(Cl)c2)C2CC2)o1 ZINC000451353744 338730879 /nfs/dbraw/zinc/73/08/79/338730879.db2.gz KUHQUSFDQRXWMX-QGZVFWFLSA-N 0 1 322.811 4.579 10 0 DJAEMN C[C@@H](N[C@H]1CC2(CCCC2)Oc2ccccc21)c1cccc(O)c1 ZINC000178757945 340451994 /nfs/dbraw/zinc/45/19/94/340451994.db2.gz VSKYNRXTKJRFCT-BEFAXECRSA-N 0 1 323.436 4.879 10 0 DJAEMN COc1ccsc1[C@@H](C)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000186195513 340509359 /nfs/dbraw/zinc/50/93/59/340509359.db2.gz ZSELGCVXKAALEY-OCCSQVGLSA-N 0 1 317.454 4.710 10 0 DJAEMN Cc1ccc([C@@H](C)NCc2ccccc2Br)c(C)c1 ZINC000037772274 340786759 /nfs/dbraw/zinc/78/67/59/340786759.db2.gz LWRXEEYAYDHMEE-CQSZACIVSA-N 0 1 318.258 4.917 10 0 DJAEMN C[C@@H](N[C@@H](C)c1cnc2ccsc2c1)c1ccc(F)c(F)c1 ZINC000126482576 340827516 /nfs/dbraw/zinc/82/75/16/340827516.db2.gz USXDCBUHHJOUAX-MNOVXSKESA-N 0 1 318.392 4.986 10 0 DJAEMN CC(C)COc1ccc([C@@H](C)NCc2cnc(Cl)s2)cc1 ZINC000181399078 519763555 /nfs/dbraw/zinc/76/35/55/519763555.db2.gz CDMUFUZKPCIWKV-GFCCVEGCSA-N 0 1 324.877 4.682 10 0 DJAEMN C[C@@H](N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1ccncc1 ZINC000152534922 525631378 /nfs/dbraw/zinc/63/13/78/525631378.db2.gz ZXSOSYVKFKCLSY-CRAIPNDOSA-N 0 1 308.425 4.569 10 0 DJAEMN Cc1c([C@@H](C)N[C@@H](C)c2ccc(F)c(F)c2)cnn1C(C)(C)C ZINC000191104526 525899720 /nfs/dbraw/zinc/89/97/20/525899720.db2.gz ZSZVMJYYSAOWKY-NWDGAFQWSA-N 0 1 321.415 4.637 10 0 DJAEMN Cc1cncc([C@H](C)N[C@@H]2CC3(CCCC3)Oc3ccccc32)c1 ZINC000184415683 526217254 /nfs/dbraw/zinc/21/72/54/526217254.db2.gz WKCUJXKYFMVPHK-QFBILLFUSA-N 0 1 322.452 4.877 10 0 DJAEMN CC1(C)Cc2[nH]nc(-c3ccc(Cl)cc3Cl)c2C(=O)C1 ZINC000004169037 181081259 /nfs/dbraw/zinc/08/12/59/181081259.db2.gz NBIAWTBHSHTGQI-UHFFFAOYSA-N 0 1 309.196 4.539 10 0 DJAEMN COc1cc2nccc(Nc3cc(C)cc(C)c3)c2cc1OC ZINC000065005244 184308574 /nfs/dbraw/zinc/30/85/74/184308574.db2.gz VWGFZZYRZAMZOU-UHFFFAOYSA-N 0 1 308.381 4.612 10 0 DJAEMN CN1CCC(=C2c3ccc(Cl)cc3C=Cc3cccnc32)CC1 ZINC000065739647 184377892 /nfs/dbraw/zinc/37/78/92/184377892.db2.gz UQPDCFDFUFTVEA-UHFFFAOYSA-N 0 1 322.839 4.746 10 0 in-vitro DJAEMN C[C@@H](NCc1cc(F)c(F)c(F)c1)c1ccc(Cl)s1 ZINC000062706593 333335972 /nfs/dbraw/zinc/33/59/72/333335972.db2.gz YOXOUSICRJXHMR-SSDOTTSWSA-N 0 1 305.752 4.670 10 0 DJAEMN Cc1ccc([C@H](C)NCc2ccccc2Br)cc1C ZINC000048819707 334301209 /nfs/dbraw/zinc/30/12/09/334301209.db2.gz RLKGHNZPRYCTNQ-AWEZNQCLSA-N 0 1 318.258 4.917 10 0 DJAEMN C[C@H](N[C@H]1CCOc2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000192792705 336261881 /nfs/dbraw/zinc/26/18/81/336261881.db2.gz UTPCFBIEFKPJQX-LRDDRELGSA-N 0 1 321.342 4.880 10 0 DJAEMN C[C@H](N[C@H]1CCOc2ccccc21)c1ccccc1C(F)(F)F ZINC000192794534 336262040 /nfs/dbraw/zinc/26/20/40/336262040.db2.gz VMSDZRNHNVCZNR-LRDDRELGSA-N 0 1 321.342 4.880 10 0 DJAEMN COc1cccc2cc([C@@H](C)N[C@@H]3CCOc4ccccc43)oc21 ZINC000192793511 336262152 /nfs/dbraw/zinc/26/21/52/336262152.db2.gz XKKQHTXKVPEXJO-CZUORRHYSA-N 0 1 323.392 4.616 10 0 DJAEMN CCc1cnc([C@H](C)Nc2cc(C)nc3ccc(F)cc32)s1 ZINC000301683018 336323283 /nfs/dbraw/zinc/32/32/83/336323283.db2.gz SPVXUILLLPTAJV-NSHDSACASA-N 0 1 315.417 4.874 10 0 DJAEMN Cc1cc2c(cc1C)[C@@H](N[C@@H]1CCOc3ccccc31)CCCO2 ZINC000178275174 337162005 /nfs/dbraw/zinc/16/20/05/337162005.db2.gz ZFTRWGLDOGKVMJ-RBUKOAKNSA-N 0 1 323.436 4.631 10 0 DJAEMN CC[C@@H](N[C@H]1CCOc2ccccc21)c1ccc(F)cc1F ZINC000178275400 337162021 /nfs/dbraw/zinc/16/20/21/337162021.db2.gz QVPQUQPIRLMPJG-SJORKVTESA-N 0 1 303.352 4.529 10 0 DJAEMN c1ccc([C@@H](N[C@H]2CCCc3ccccc32)c2cccnc2)cc1 ZINC000178612827 337165420 /nfs/dbraw/zinc/16/54/20/337165420.db2.gz UIBDAHIQKFRILK-FCHUYYIVSA-N 0 1 314.432 4.838 10 0 DJAEMN Cc1ccc([C@H](C)N[C@H](c2ccccc2)c2cccnc2)s1 ZINC000178606761 337165422 /nfs/dbraw/zinc/16/54/22/337165422.db2.gz CSOWYRYWIRZKPI-HNAYVOBHSA-N 0 1 308.450 4.892 10 0 DJAEMN C[C@@H](N[C@@H](C)c1cccs1)c1ccc(F)cc1OC(F)F ZINC000178178426 340447531 /nfs/dbraw/zinc/44/75/31/340447531.db2.gz NALZRWOUNUPGHG-ZJUUUORDSA-N 0 1 315.360 4.900 10 0 DJAEMN COc1ccsc1[C@H](C)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000186195495 340509346 /nfs/dbraw/zinc/50/93/46/340509346.db2.gz ZSELGCVXKAALEY-JSGCOSHPSA-N 0 1 317.454 4.710 10 0 DJAEMN C[C@@H](N[C@H]1CCOc2ccccc21)c1ccc(F)c(Cl)c1 ZINC000037074257 340746038 /nfs/dbraw/zinc/74/60/38/340746038.db2.gz YKTAJWOQQFFKFB-BZNIZROVSA-N 0 1 305.780 4.654 10 0 DJAEMN COc1ccccc1[C@H](C)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000128941000 340930059 /nfs/dbraw/zinc/93/00/59/340930059.db2.gz KDFTVWJGKNZGMU-WMLDXEAASA-N 0 1 311.425 4.648 10 0 DJAEMN COc1ccc2c(c1)CCC[C@H]2NCc1ccsc1Cl ZINC000312769768 518162675 /nfs/dbraw/zinc/16/26/75/518162675.db2.gz PYMMZBZPSQXHQC-OAHLLOKOSA-N 0 1 307.846 4.577 10 0 DJAEMN C[C@H](N[C@@H](C)c1nc2ccc(Cl)cc2n1C)c1cccs1 ZINC000179972272 525538425 /nfs/dbraw/zinc/53/84/25/525538425.db2.gz ZIOTXBZVWLDNEK-QWRGUYRKSA-N 0 1 319.861 4.700 10 0 DJAEMN CC[C@@H](NCc1ccccc1F)c1ccc(Br)cc1 ZINC000019950246 182169285 /nfs/dbraw/zinc/16/92/85/182169285.db2.gz XOEGTIDFUSLKBQ-MRXNPFEDSA-N 0 1 322.221 4.829 10 0 DJAEMN C[C@@H](N[C@H]1CCc2ccccc21)c1ccccc1Br ZINC000020129780 182189968 /nfs/dbraw/zinc/18/99/68/182189968.db2.gz XSSFXMSGTDWUKQ-PXAZEXFGSA-N 0 1 316.242 4.787 10 0 DJAEMN FC(F)(F)c1cccc(Nc2nc3ccc(Cl)cc3[nH]2)c1 ZINC000040836225 183140109 /nfs/dbraw/zinc/14/01/09/183140109.db2.gz HZLJCQJNRBJTQI-UHFFFAOYSA-N 0 1 311.694 4.979 10 0 DJAEMN CCN(CC)c1ccc(NCc2ccc(Br)o2)cc1 ZINC000057671172 184045906 /nfs/dbraw/zinc/04/59/06/184045906.db2.gz YVOSMFCOCDANKL-UHFFFAOYSA-N 0 1 323.234 4.500 10 0 DJAEMN Fc1ccc(-c2nn(-c3ccncc3)c3cc(Cl)ccc32)cc1 ZINC000059051543 184134471 /nfs/dbraw/zinc/13/44/71/184134471.db2.gz NMVGBOPGGCKZSI-UHFFFAOYSA-N 0 1 323.758 4.880 10 0 DJAEMN CCc1ccc(Nc2ccnc3cc(OC)c(OC)cc32)cc1 ZINC000065005345 184308565 /nfs/dbraw/zinc/30/85/65/184308565.db2.gz ORXXEXVFPDUNFS-UHFFFAOYSA-N 0 1 308.381 4.558 10 0 DJAEMN Clc1ccc2nc(-c3ccc(Br)s3)[nH]c2c1 ZINC000070233722 257128080 /nfs/dbraw/zinc/12/80/80/257128080.db2.gz KTTMCVBKEXUBET-UHFFFAOYSA-N 0 1 313.607 4.707 10 0 DJAEMN C[C@H](N[C@@H](C)c1cccc(Cl)c1)c1nc2ccccc2n1C ZINC000120330965 132142782 /nfs/dbraw/zinc/14/27/82/132142782.db2.gz FMCCORYOZDTZKP-STQMWFEESA-N 0 1 313.832 4.639 10 0 DJAEMN C[C@@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1)c1ccc(F)cn1 ZINC000092195298 332116436 /nfs/dbraw/zinc/11/64/36/332116436.db2.gz ZHTQGQJIADWDGB-VHSXEESVSA-N 0 1 313.203 4.939 10 0 DJAEMN Cc1ccc([C@H](C)N[C@H]2CCc3cc(Br)ccc32)o1 ZINC000040227006 333341670 /nfs/dbraw/zinc/34/16/70/333341670.db2.gz ZQGYNBMAULFTIR-NHYWBVRUSA-N 0 1 320.230 4.689 10 0 DJAEMN Cc1cc(N[C@H](CCCO)c2ccccc2)c2cc(F)ccc2n1 ZINC000301668656 336322208 /nfs/dbraw/zinc/32/22/08/336322208.db2.gz MSFJNUDYRJHFQN-GOSISDBHSA-N 0 1 324.399 4.608 10 0 DJAEMN Cc1ccccc1CN[C@@H](C)c1ccccc1Br ZINC000034992182 336384906 /nfs/dbraw/zinc/38/49/06/336384906.db2.gz PFYINUQMRXRUJM-ZDUSSCGKSA-N 0 1 304.231 4.608 10 0 DJAEMN C[C@H](N[C@@H](c1ccccc1)c1cccnc1)c1ccc(F)cc1 ZINC000178612754 337165379 /nfs/dbraw/zinc/16/53/79/337165379.db2.gz CPPWCCZWMMVFOZ-YWZLYKJASA-N 0 1 306.384 4.661 10 0 DJAEMN Cc1cccc([C@@H](C)N[C@@H](c2ccccc2)c2cccnc2)c1 ZINC000178614408 337165544 /nfs/dbraw/zinc/16/55/44/337165544.db2.gz KGKYYNGCTMJCQO-UTKZUKDTSA-N 0 1 302.421 4.830 10 0 DJAEMN COc1ccc(Nc2cc(C)nc3c2cc(C)cc3C2CC2)cc1 ZINC000584637506 337379570 /nfs/dbraw/zinc/37/95/70/337379570.db2.gz UUCJKDSKAPNJLD-UHFFFAOYSA-N 0 1 318.420 4.903 10 0 DJAEMN COc1ccc([C@H](C)N[C@@H](C)c2ccc(C)c(F)c2)c(OC)c1 ZINC000121964531 337903814 /nfs/dbraw/zinc/90/38/14/337903814.db2.gz WAIKJGHLVGUXQD-KBPBESRZSA-N 0 1 317.404 4.563 10 0 DJAEMN Cc1ccc([C@H](C)NCc2ccc(Cl)c3cccnc23)o1 ZINC000166413466 339053269 /nfs/dbraw/zinc/05/32/69/339053269.db2.gz HZADKTXBMLVMIZ-LBPRGKRZSA-N 0 1 300.789 4.640 10 0 DJAEMN C[C@H](N[C@@H](C)c1cnc2ccsc2c1)c1ccc(F)c(F)c1 ZINC000126482367 340827571 /nfs/dbraw/zinc/82/75/71/340827571.db2.gz USXDCBUHHJOUAX-QWRGUYRKSA-N 0 1 318.392 4.986 10 0 DJAEMN COc1ccccc1CN[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000131110808 341061568 /nfs/dbraw/zinc/06/15/68/341061568.db2.gz ZARNGOGLWUKCRE-SFHVURJKSA-N 0 1 323.436 4.621 10 0 DJAEMN Cc1nn(C)c(C)c1[C@@H]1CCCN1[C@H](C)c1ccccc1Cl ZINC000247537319 341366799 /nfs/dbraw/zinc/36/67/99/341366799.db2.gz COXFYFYEYURLKS-DYVFJYSZSA-N 0 1 317.864 4.588 10 0 DJAEMN CC(C)COc1ccc([C@H](C)NCc2cnc(Cl)s2)cc1 ZINC000181399101 519763865 /nfs/dbraw/zinc/76/38/65/519763865.db2.gz CDMUFUZKPCIWKV-LBPRGKRZSA-N 0 1 324.877 4.682 10 0 DJAEMN CCCCCOC(=O)c1c(O)c(Cl)cc(Cl)c1Cl ZINC000005820698 181286847 /nfs/dbraw/zinc/28/68/47/181286847.db2.gz LSJXFRHMMURWFI-UHFFFAOYSA-N 0 1 311.592 4.699 10 0 DJAEMN Cc1ccc(-c2nc(COc3ccc4ccccc4c3)n[nH]2)cc1 ZINC000005968905 181302281 /nfs/dbraw/zinc/30/22/81/181302281.db2.gz USYMSSTXCLZMBL-UHFFFAOYSA-N 0 1 315.376 4.512 10 0 DJAEMN Cc1cccc(CN[C@H](C)c2ccccc2Br)c1 ZINC000020134054 182190739 /nfs/dbraw/zinc/19/07/39/182190739.db2.gz MXEDDUUYSZTHRS-CYBMUJFWSA-N 0 1 304.231 4.608 10 0 DJAEMN Cc1ccccc1[C@H](N)c1cc2cc(Br)ccc2o1 ZINC000020592753 182235890 /nfs/dbraw/zinc/23/58/90/182235890.db2.gz FOPLNCKYNVIFHJ-INIZCTEOSA-N 0 1 316.198 4.552 10 0 DJAEMN CCCOc1ccc(Cl)cc1CNCc1ccc(C)cc1 ZINC000020928966 182254614 /nfs/dbraw/zinc/25/46/14/182254614.db2.gz MCRKLAIYFHJJCA-UHFFFAOYSA-N 0 1 303.833 4.727 10 0 DJAEMN CCCC(=O)Nc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1 ZINC000021142231 182266691 /nfs/dbraw/zinc/26/66/91/182266691.db2.gz ZGEXXUJTRAVRHL-UHFFFAOYSA-N 0 1 313.788 4.622 10 0 DJAEMN CCOC(=O)c1ccc(Nc2ccnc3c(C)c(C)ccc23)cc1 ZINC000041055305 183159989 /nfs/dbraw/zinc/15/99/89/183159989.db2.gz OUDBCGIFJPBQDR-UHFFFAOYSA-N 0 1 320.392 4.772 10 0 DJAEMN C[C@@H](N[C@H](C)c1cncc(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000178138833 333002977 /nfs/dbraw/zinc/00/29/77/333002977.db2.gz BHZWVUGOEREOJD-NXEZZACHSA-N 0 1 313.203 4.939 10 0 DJAEMN Cc1ccc([C@H](C)NCc2ccccc2Br)cc1F ZINC000094837658 335755525 /nfs/dbraw/zinc/75/55/25/335755525.db2.gz IIZSNEFHAZYEBQ-LBPRGKRZSA-N 0 1 322.221 4.747 10 0 DJAEMN Cc1ccc([C@@H](C)N[C@H](C)c2ccc(OC(F)(F)F)cc2)o1 ZINC000192735864 336261145 /nfs/dbraw/zinc/26/11/45/336261145.db2.gz AQWXIKSWKMJCJK-VXGBXAGGSA-N 0 1 313.319 4.898 10 0 DJAEMN Fc1ccc2c(c1)nccc2NC[C@H]1CCO[C@H]1c1ccccc1 ZINC000301444593 336307121 /nfs/dbraw/zinc/30/71/21/336307121.db2.gz VEMPQUGBUSEVOO-QRWLVFNGSA-N 0 1 322.383 4.564 10 0 DJAEMN Cc1ccccc1CN[C@H](C)c1ccccc1Br ZINC000034992183 336384878 /nfs/dbraw/zinc/38/48/78/336384878.db2.gz PFYINUQMRXRUJM-CYBMUJFWSA-N 0 1 304.231 4.608 10 0 DJAEMN Cc1ccc([C@@H](C)N[C@H](C)c2cc(Br)cs2)o1 ZINC000193947842 337080728 /nfs/dbraw/zinc/08/07/28/337080728.db2.gz WUVLXZHDBBBNHY-NXEZZACHSA-N 0 1 314.248 4.824 10 0 DJAEMN COc1cccc([C@H](C)N[C@H](c2ccccc2)c2cccnc2)c1 ZINC000177290032 337156703 /nfs/dbraw/zinc/15/67/03/337156703.db2.gz NGIPXHHAGBBNIO-HRAATJIYSA-N 0 1 318.420 4.530 10 0 DJAEMN Cc1cc(C)c2c(c1)[C@@H](N[C@H]1CCOc3ccccc31)CCCO2 ZINC000178277410 337161966 /nfs/dbraw/zinc/16/19/66/337161966.db2.gz ANCOLIAYTMBEIJ-OALUTQOASA-N 0 1 323.436 4.631 10 0 DJAEMN Fc1ccc2c(c1)[C@@H](N[C@@H](c1ccccc1)c1cccnc1)CC2 ZINC000178610769 337165522 /nfs/dbraw/zinc/16/55/22/337165522.db2.gz LXTZKLUWUUDQKG-SFTDATJTSA-N 0 1 318.395 4.587 10 0 DJAEMN CC1(C)C[C@H](N[C@H]2CCCOc3ccccc32)c2ccccc2O1 ZINC000133594178 337445835 /nfs/dbraw/zinc/44/58/35/337445835.db2.gz OCCIDJKJOSYZPX-ROUUACIJSA-N 0 1 323.436 4.792 10 0 DJAEMN COc1ccsc1[C@@H](C)N[C@H](C)c1ccc(Cl)s1 ZINC000186096783 340508192 /nfs/dbraw/zinc/50/81/92/340508192.db2.gz ZEORTPCYZGPZET-RKDXNWHRSA-N 0 1 301.864 4.883 10 0 DJAEMN Cc1ccc(F)cc1CN[C@@H](C)c1ccccc1Br ZINC000129098956 340944988 /nfs/dbraw/zinc/94/49/88/340944988.db2.gz PASGQNCEOZALEV-LBPRGKRZSA-N 0 1 322.221 4.747 10 0 DJAEMN COc1ccccc1CN[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000131110587 341061519 /nfs/dbraw/zinc/06/15/19/341061519.db2.gz ZARNGOGLWUKCRE-GOSISDBHSA-N 0 1 323.436 4.621 10 0 DJAEMN Cc1ccccc1[C@H](C)NCc1nc2ccccc2n1C(F)F ZINC000181533552 525416674 /nfs/dbraw/zinc/41/66/74/525416674.db2.gz QDNDKOPTJZBSPX-ZDUSSCGKSA-N 0 1 315.367 4.591 10 0 DJAEMN CC(C)N(Cc1cccc(Cl)c1Br)C(C)C ZINC000669378415 563869381 /nfs/dbraw/zinc/86/93/81/563869381.db2.gz DOAPBABEWSBEMU-UHFFFAOYSA-N 0 1 304.659 4.721 10 0 DJAEMN C[C@@H](N[C@@H](C)c1cccs1)c1ccccc1Br ZINC000020148297 182192351 /nfs/dbraw/zinc/19/23/51/182192351.db2.gz VUYNTVQDPWWEOI-MNOVXSKESA-N 0 1 310.260 4.922 10 0 DJAEMN Cc1cccc2cc([C@@H](N)c3ccc(Br)cc3)oc21 ZINC000020389219 182213556 /nfs/dbraw/zinc/21/35/56/182213556.db2.gz GUYWJLXFILWQGP-HNNXBMFYSA-N 0 1 316.198 4.552 10 0 DJAEMN N[C@@H](c1ccc(Cl)c(Cl)c1)c1c(F)cccc1Cl ZINC000036961793 182855668 /nfs/dbraw/zinc/85/56/68/182855668.db2.gz HFXSWTQNKXPBSK-ZDUSSCGKSA-N 0 1 304.579 4.834 10 0 DJAEMN CCc1ccc2nccc(Nc3ccc(OC)c(OC)c3)c2c1 ZINC000065005379 184308239 /nfs/dbraw/zinc/30/82/39/184308239.db2.gz RYMHLPMMYVASHU-UHFFFAOYSA-N 0 1 308.381 4.558 10 0 DJAEMN C[C@@H](N[C@@H](C)c1cccc(Cl)c1)c1nc2ccccc2n1C ZINC000120331289 132142634 /nfs/dbraw/zinc/14/26/34/132142634.db2.gz FMCCORYOZDTZKP-QWHCGFSZSA-N 0 1 313.832 4.639 10 0 DJAEMN Cc1ccc([C@@H](NCc2cncc(C)c2)c2ccccc2)c(C)c1 ZINC000181029620 332173222 /nfs/dbraw/zinc/17/32/22/332173222.db2.gz IOKNREKWKAMQAB-QFIPXVFZSA-N 0 1 316.448 4.886 10 0 DJAEMN C[C@H](N[C@H]1CCOc2ccccc21)c1ccc(C(F)(F)F)cc1 ZINC000192793091 336261978 /nfs/dbraw/zinc/26/19/78/336261978.db2.gz AFQRLZYSOHJVMN-LRDDRELGSA-N 0 1 321.342 4.880 10 0 DJAEMN Cc1ccc(CN[C@H](C)c2ccccc2Br)c(C)c1 ZINC000034992207 336384999 /nfs/dbraw/zinc/38/49/99/336384999.db2.gz VUYKXOKXYPMFHG-CQSZACIVSA-N 0 1 318.258 4.917 10 0 DJAEMN Cc1cc(C)c2c(c1)[C@@H](N[C@@H]1CCOc3ccccc31)CCCO2 ZINC000178277384 337162000 /nfs/dbraw/zinc/16/20/00/337162000.db2.gz ANCOLIAYTMBEIJ-RBUKOAKNSA-N 0 1 323.436 4.631 10 0 DJAEMN Cc1ccc([C@H](C)NCc2cscc2Br)c(C)c1 ZINC000302678995 340278739 /nfs/dbraw/zinc/27/87/39/340278739.db2.gz OYNJRVHZABZHRW-LBPRGKRZSA-N 0 1 324.287 4.978 10 0 DJAEMN CCn1c2ccccc2nc1[C@H](C)NCc1cc(C)sc1C ZINC000177788447 341938075 /nfs/dbraw/zinc/93/80/75/341938075.db2.gz OYUZHAAIQVARSU-ZDUSSCGKSA-N 0 1 313.470 4.585 10 0 DJAEMN CCOc1c(CN[C@@H](C)c2ccccc2)cc(Cl)cc1OC ZINC000010473872 563357349 /nfs/dbraw/zinc/35/73/49/563357349.db2.gz QUIOCKBFNXAAAU-ZDUSSCGKSA-N 0 1 319.832 4.598 10 0 DJAEMN CCOc1c(CN[C@H](C)c2ccccc2)cc(Cl)cc1OC ZINC000010473874 563357773 /nfs/dbraw/zinc/35/77/73/563357773.db2.gz QUIOCKBFNXAAAU-CYBMUJFWSA-N 0 1 319.832 4.598 10 0 DJAEMN CCOc1ccc2ccccc2c1CNCc1ccccc1OC ZINC000013720574 563387522 /nfs/dbraw/zinc/38/75/22/563387522.db2.gz JOVAYVIXXSSQNI-UHFFFAOYSA-N 0 1 321.420 4.537 10 0 DJAEMN Cc1ccccc1-c1nc(COc2ccc3ccccc3c2)n[nH]1 ZINC000005982062 181303531 /nfs/dbraw/zinc/30/35/31/181303531.db2.gz JSOFLSNHYPOSKW-UHFFFAOYSA-N 0 1 315.376 4.512 10 0 DJAEMN Cc1ccc(COc2ccccc2CNCc2ccccc2)cc1 ZINC000020873568 182250976 /nfs/dbraw/zinc/25/09/76/182250976.db2.gz YKCVXOPVPZYNBF-UHFFFAOYSA-N 0 1 317.432 4.864 10 0 DJAEMN CC[C@@H](C)C(=O)Nc1cccc(-c2nc3ccc(C)cc3[nH]2)c1 ZINC000021024085 182261746 /nfs/dbraw/zinc/26/17/46/182261746.db2.gz HOFNQVHOXLSTKY-CYBMUJFWSA-N 0 1 307.397 4.523 10 0 DJAEMN CC(=O)Nc1ccc(Nc2ccnc3c(C)c(C)ccc23)cc1 ZINC000041055370 183160248 /nfs/dbraw/zinc/16/02/48/183160248.db2.gz CYSLHTBMRSXBHI-UHFFFAOYSA-N 0 1 305.381 4.554 10 0 DJAEMN CCCN[C@H](c1ccc(C)o1)c1ccc(Br)s1 ZINC000042268138 183248386 /nfs/dbraw/zinc/24/83/86/183248386.db2.gz FCIKRQMIUXJDLR-CYBMUJFWSA-N 0 1 314.248 4.501 10 0 DJAEMN CC(C)CN(CC(=O)c1cc(Cl)sc1Cl)C(C)C ZINC000042587713 183288014 /nfs/dbraw/zinc/28/80/14/183288014.db2.gz SWGXAVLGHSAQJW-UHFFFAOYSA-N 0 1 308.274 4.604 10 0 DJAEMN C[C@@H](N[C@@H](C)c1ccc(Cl)c(Cl)c1)c1cncc(F)c1 ZINC000178138821 333002811 /nfs/dbraw/zinc/00/28/11/333002811.db2.gz BHZWVUGOEREOJD-VHSXEESVSA-N 0 1 313.203 4.939 10 0 DJAEMN Cc1ccc([C@@H](C)N[C@@H]2CCc3cc(Br)ccc32)o1 ZINC000040227000 333341559 /nfs/dbraw/zinc/34/15/59/333341559.db2.gz ZQGYNBMAULFTIR-IAQYHMDHSA-N 0 1 320.230 4.689 10 0 DJAEMN Cc1ccc([C@@H](C)NCc2ccc(OC(F)F)c(Cl)c2)o1 ZINC000067120387 335148211 /nfs/dbraw/zinc/14/82/11/335148211.db2.gz ZCKQRUUQYDDTGV-SNVBAGLBSA-N 0 1 315.747 4.694 10 0 DJAEMN Cc1ccc([C@H](C)N[C@H](C)c2ccc(OC(F)(F)F)cc2)o1 ZINC000192735881 336261025 /nfs/dbraw/zinc/26/10/25/336261025.db2.gz AQWXIKSWKMJCJK-NEPJUHHUSA-N 0 1 313.319 4.898 10 0 DJAEMN C[C@@H](N[C@H]1CCOc2ccccc21)c1ccccc1C(F)(F)F ZINC000192794549 336262118 /nfs/dbraw/zinc/26/21/18/336262118.db2.gz VMSDZRNHNVCZNR-WBMJQRKESA-N 0 1 321.342 4.880 10 0 DJAEMN CCc1cnc([C@H](C)Nc2ccnc3cc(F)ccc32)s1 ZINC000301587518 336316652 /nfs/dbraw/zinc/31/66/52/336316652.db2.gz WNURQPLMXGLECQ-JTQLQIEISA-N 0 1 301.390 4.566 10 0 DJAEMN Cc1ccc(CN[C@@H](C)c2ccccc2Br)c(C)c1 ZINC000034992206 336384922 /nfs/dbraw/zinc/38/49/22/336384922.db2.gz VUYKXOKXYPMFHG-AWEZNQCLSA-N 0 1 318.258 4.917 10 0 DJAEMN Cc1ccc([C@H](C)N[C@@H](C)c2cc(Br)cs2)o1 ZINC000193947824 337080786 /nfs/dbraw/zinc/08/07/86/337080786.db2.gz WUVLXZHDBBBNHY-UWVGGRQHSA-N 0 1 314.248 4.824 10 0 DJAEMN Cc1ccc([C@@H](C)N[C@@H](c2ccccc2)c2cccnc2)s1 ZINC000178606726 337165361 /nfs/dbraw/zinc/16/53/61/337165361.db2.gz CSOWYRYWIRZKPI-BEFAXECRSA-N 0 1 308.450 4.892 10 0 DJAEMN CC[C@@H](N[C@@H](c1ccccc1)c1cccnc1)c1cccs1 ZINC000178609534 337165414 /nfs/dbraw/zinc/16/54/14/337165414.db2.gz DXNUSCCEFXPKLQ-MJGOQNOKSA-N 0 1 308.450 4.973 10 0 DJAEMN Fc1ccc2c(c1)[C@@H](N[C@H](c1ccccc1)c1cccnc1)CC2 ZINC000178610783 337165485 /nfs/dbraw/zinc/16/54/85/337165485.db2.gz LXTZKLUWUUDQKG-LEWJYISDSA-N 0 1 318.395 4.587 10 0 DJAEMN CC[C@@H](N[C@H](c1ccccc1)c1cccnc1)c1ccccc1 ZINC000178607979 337165506 /nfs/dbraw/zinc/16/55/06/337165506.db2.gz KDBZTIDMHBQUTG-NHCUHLMSSA-N 0 1 302.421 4.912 10 0 DJAEMN Cc1cccc([C@H](C)N[C@H](c2ccccc2)c2cccnc2)c1 ZINC000178614436 337165563 /nfs/dbraw/zinc/16/55/63/337165563.db2.gz KGKYYNGCTMJCQO-LAUBAEHRSA-N 0 1 302.421 4.830 10 0 DJAEMN CC[C@@H](N[C@@H]1CCOc2ccccc21)c1cc(C)ccc1OC ZINC000093369659 337915851 /nfs/dbraw/zinc/91/58/51/337915851.db2.gz HYYKTFPFXLRKOQ-QZTJIDSGSA-N 0 1 311.425 4.568 10 0 DJAEMN COc1ccsc1[C@@H](C)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000186124281 518170815 /nfs/dbraw/zinc/17/08/15/518170815.db2.gz IUUSAVUSDBYHIC-VHSXEESVSA-N 0 1 313.825 4.961 10 0 DJAEMN C[C@H]1C[C@@H](N[C@@H]2CCOc3ccccc32)c2ccsc2S1 ZINC000130216887 524813129 /nfs/dbraw/zinc/81/31/29/524813129.db2.gz BEXRENVWKVHZSD-NILFDRSVSA-N 0 1 317.479 4.787 10 0 DJAEMN c1cc2n(c1)-c1sc3c(c1CN[C@@H]2c1ccccc1)CCCC3 ZINC000032917090 563443425 /nfs/dbraw/zinc/44/34/25/563443425.db2.gz FTDQLPDUXOUOJR-LJQANCHMSA-N 0 1 320.461 4.610 10 0 DJAEMN CC1(C)C[C@H](NCc2ccc(Cl)cc2)c2ccccc2O1 ZINC000082504902 185187745 /nfs/dbraw/zinc/18/77/45/185187745.db2.gz VLJMXYPRAUSTNZ-INIZCTEOSA-N 0 1 301.817 4.732 10 0 DJAEMN Cc1ccc(C(C)C)cc1NC(=O)c1cc(Cl)ccc1O ZINC000090484876 185298610 /nfs/dbraw/zinc/29/86/10/185298610.db2.gz YGCZINGVTVBYKT-UHFFFAOYSA-N 0 1 303.789 4.730 10 0 DJAEMN c1ccc(Nc2nc(Nc3ccncc3)nc3ccccc32)cc1 ZINC000072260373 191088838 /nfs/dbraw/zinc/08/88/38/191088838.db2.gz WANMJWQKSZTPQC-UHFFFAOYSA-N 0 1 313.364 4.512 10 0 DJAEMN CC(C)c1n[nH]c(SCc2ccc(Cl)cc2Cl)n1 ZINC000006782176 181387702 /nfs/dbraw/zinc/38/77/02/181387702.db2.gz KVSJBZBVGVOZBR-UHFFFAOYSA-N 0 1 302.230 4.527 10 0 DJAEMN CC(C)c1nc(SCc2ccc(Cl)cc2Cl)n[nH]1 ZINC000006782176 181387705 /nfs/dbraw/zinc/38/77/05/181387705.db2.gz KVSJBZBVGVOZBR-UHFFFAOYSA-N 0 1 302.230 4.527 10 0 DJAEMN C[C@H](NCc1ccccc1Br)c1cccc(Cl)c1 ZINC000020124307 182189906 /nfs/dbraw/zinc/18/99/06/182189906.db2.gz WTHHOCRLQZFSEZ-NSHDSACASA-N 0 1 324.649 4.953 10 0 DJAEMN C[C@@H](NCc1ccc(Cl)cc1)c1ccccc1Br ZINC000020209709 182197858 /nfs/dbraw/zinc/19/78/58/182197858.db2.gz YDPQMONNAQQLFQ-LLVKDONJSA-N 0 1 324.649 4.953 10 0 DJAEMN Cc1c2cc(Br)ccc2oc1[C@@H](N)c1ccccc1 ZINC000020593036 182235959 /nfs/dbraw/zinc/23/59/59/182235959.db2.gz NMEMYXYZMARPDR-HNNXBMFYSA-N 0 1 316.198 4.552 10 0 DJAEMN CCCOc1ccc(Cl)cc1CN[C@H](C)c1ccccc1 ZINC000020928744 182254659 /nfs/dbraw/zinc/25/46/59/182254659.db2.gz WMLGDXWLNXWRPX-CQSZACIVSA-N 0 1 303.833 4.980 10 0 DJAEMN Fc1ccc(-c2nc(-c3ccncc3)[nH]c2-c2ccccc2)cc1 ZINC000022000915 182303006 /nfs/dbraw/zinc/30/30/06/182303006.db2.gz NWUILSMFJZPPTC-UHFFFAOYSA-N 0 1 315.351 4.945 10 0 DJAEMN CCOC(=O)c1cccc(Nc2ccnc3c(C)cc(C)cc23)c1 ZINC000041055013 183158815 /nfs/dbraw/zinc/15/88/15/183158815.db2.gz OUBFRMHMVZKJNN-UHFFFAOYSA-N 0 1 320.392 4.772 10 0 DJAEMN CCCN[C@@H](c1ccc(C)o1)c1ccc(Br)s1 ZINC000042268135 183248058 /nfs/dbraw/zinc/24/80/58/183248058.db2.gz FCIKRQMIUXJDLR-ZDUSSCGKSA-N 0 1 314.248 4.501 10 0 DJAEMN CC(C)C[C@@H]1CSC(N[C@H](C)c2ccc(Cl)s2)=N1 ZINC000042591997 183289041 /nfs/dbraw/zinc/28/90/41/183289041.db2.gz FCINJCCHRKTHFH-NXEZZACHSA-N 0 1 302.896 4.570 10 0 DJAEMN COc1cc2nccc(Nc3cccc(C)c3C)c2cc1OC ZINC000065005273 184308264 /nfs/dbraw/zinc/30/82/64/184308264.db2.gz AVULLOTVHPZSPN-UHFFFAOYSA-N 0 1 308.381 4.612 10 0 DJAEMN C[C@@H](N[C@H](C)c1ccc(F)cn1)c1ccc(Cl)c(Cl)c1 ZINC000092195299 332116496 /nfs/dbraw/zinc/11/64/96/332116496.db2.gz ZHTQGQJIADWDGB-NXEZZACHSA-N 0 1 313.203 4.939 10 0 DJAEMN Cc1cncc(CN[C@H](c2ccccc2)c2ccccc2C)c1 ZINC000181028819 332173203 /nfs/dbraw/zinc/17/32/03/332173203.db2.gz PIRIRDKAFOSERC-OAQYLSRUSA-N 0 1 302.421 4.578 10 0 DJAEMN Cc1ccc([C@H](C)N[C@H](c2ccccc2)c2cccnc2)cc1 ZINC000164988018 334691743 /nfs/dbraw/zinc/69/17/43/334691743.db2.gz SKBHENFZWUGQSU-LAUBAEHRSA-N 0 1 302.421 4.830 10 0 DJAEMN C[C@H](NCc1cccc(Cl)c1)c1ccccc1Br ZINC000034992176 336384926 /nfs/dbraw/zinc/38/49/26/336384926.db2.gz GOVFBXZDYZDUPW-NSHDSACASA-N 0 1 324.649 4.953 10 0 DJAEMN COc1cccc([C@@H](C)N[C@@H](c2ccccc2)c2cccnc2)c1 ZINC000177290019 337156776 /nfs/dbraw/zinc/15/67/76/337156776.db2.gz NGIPXHHAGBBNIO-IERDGZPVSA-N 0 1 318.420 4.530 10 0 DJAEMN Fc1ccc2c(c1)[C@H](N[C@H](c1ccccc1)c1cccnc1)CC2 ZINC000178610757 337165438 /nfs/dbraw/zinc/16/54/38/337165438.db2.gz LXTZKLUWUUDQKG-NHCUHLMSSA-N 0 1 318.395 4.587 10 0 DJAEMN Cc1ccc2c(c1)[C@@H](N[C@@H](c1ccccc1)c1cccnc1)CC2 ZINC000178611902 337165461 /nfs/dbraw/zinc/16/54/61/337165461.db2.gz CZDKLKNQJNUKSO-VXKWHMMOSA-N 0 1 314.432 4.757 10 0 DJAEMN Cc1ccc2c(c1)[C@@H](N[C@H](c1ccccc1)c1cccnc1)CC2 ZINC000178611920 337165469 /nfs/dbraw/zinc/16/54/69/337165469.db2.gz CZDKLKNQJNUKSO-FCHUYYIVSA-N 0 1 314.432 4.757 10 0 DJAEMN Cc1ccccc1[C@@H](C)N[C@@H](c1ccccc1)c1cccnc1 ZINC000178611634 337165493 /nfs/dbraw/zinc/16/54/93/337165493.db2.gz QONXVOLBJDAFGU-UTKZUKDTSA-N 0 1 302.421 4.830 10 0 DJAEMN FC(F)(F)c1ccc(-c2nc3c([nH]2)-c2ccccc2C3)cc1 ZINC000584605935 337371542 /nfs/dbraw/zinc/37/15/42/337371542.db2.gz RBMIWPATDCTDFF-UHFFFAOYSA-N 0 1 300.283 4.667 10 0 DJAEMN C[C@@H](NCc1cccc2c1OCO2)c1ccc(Cl)c(Cl)c1 ZINC000036168079 337746088 /nfs/dbraw/zinc/74/60/88/337746088.db2.gz YKYOLFLOHQKGRV-SNVBAGLBSA-N 0 1 324.207 4.573 10 0 DJAEMN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc(O)c(Cl)c1 ZINC000045076422 337817991 /nfs/dbraw/zinc/81/79/91/337817991.db2.gz NKJMRHQYQKWQIH-JTQLQIEISA-N 0 1 324.207 4.532 10 0 DJAEMN CS[C@@H]1CC[C@@H]1N[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000484379907 339685830 /nfs/dbraw/zinc/68/58/30/339685830.db2.gz PYKFHGCYTTUVPO-PPKCKEKNSA-N 0 1 308.249 4.677 10 0 DJAEMN COc1ccsc1[C@H](C)N[C@H](C)c1ccc(Cl)s1 ZINC000186096754 340508185 /nfs/dbraw/zinc/50/81/85/340508185.db2.gz ZEORTPCYZGPZET-BDAKNGLRSA-N 0 1 301.864 4.883 10 0 DJAEMN Cc1c([C@@H](C)N[C@@H](C)c2ccc(C)c(F)c2)cnn1C(C)(C)C ZINC000191338464 340553096 /nfs/dbraw/zinc/55/30/96/340553096.db2.gz MVJMRHDOVDKRMO-UONOGXRCSA-N 0 1 317.452 4.806 10 0 DJAEMN CC1(C)C[C@H](NCc2cc(Cl)cs2)c2ccccc2O1 ZINC000193151708 340573104 /nfs/dbraw/zinc/57/31/04/340573104.db2.gz FMPOIPNKRVLLPR-AWEZNQCLSA-N 0 1 307.846 4.794 10 0 DJAEMN COc1ccc([C@@H](C)N[C@@H](C)c2ccc(Cl)cc2)c(F)c1 ZINC000037218027 340774944 /nfs/dbraw/zinc/77/49/44/340774944.db2.gz ZSTMRQQQZJJZIM-NWDGAFQWSA-N 0 1 307.796 4.900 10 0 DJAEMN C[C@H]1C[C@H](N[C@@H]2CCOc3ccccc32)c2ccsc2S1 ZINC000130216666 524930897 /nfs/dbraw/zinc/93/08/97/524930897.db2.gz BEXRENVWKVHZSD-GLQYFDAESA-N 0 1 317.479 4.787 10 0 DJAEMN C[C@@H](N[C@@H](C)c1nc2ccc(Cl)cc2n1C)c1cccs1 ZINC000179972287 525622171 /nfs/dbraw/zinc/62/21/71/525622171.db2.gz ZIOTXBZVWLDNEK-MNOVXSKESA-N 0 1 319.861 4.700 10 0 DJAEMN Cc1c([C@@H](C)N[C@@H](C)c2ccc(F)c(Cl)c2)cnn1C(C)C ZINC000191205534 525899837 /nfs/dbraw/zinc/89/98/37/525899837.db2.gz CAVUNDTUUDASMH-NWDGAFQWSA-N 0 1 323.843 4.977 10 0 DJAEMN c1cc2n(c1)-c1sc3c(c1CN[C@H]2c1ccccc1)CCCC3 ZINC000032917088 563443115 /nfs/dbraw/zinc/44/31/15/563443115.db2.gz FTDQLPDUXOUOJR-IBGZPJMESA-N 0 1 320.461 4.610 10 0 DJAEMN Cc1cc2nc(-c3ccccc3-c3ncc[nH]3)[nH]c2cc1Cl ZINC000090484679 185298729 /nfs/dbraw/zinc/29/87/29/185298729.db2.gz SIXDHKHXPCLBDH-UHFFFAOYSA-N 0 1 308.772 4.582 10 0 DJAEMN C[C@H](NCc1cccc(Br)c1)c1ccccc1Cl ZINC000020123975 182189745 /nfs/dbraw/zinc/18/97/45/182189745.db2.gz UFWZYGWSPQAEGJ-NSHDSACASA-N 0 1 324.649 4.953 10 0 DJAEMN C[C@@H](NCc1ccccc1Br)c1cccc(Cl)c1 ZINC000020124306 182189875 /nfs/dbraw/zinc/18/98/75/182189875.db2.gz WTHHOCRLQZFSEZ-LLVKDONJSA-N 0 1 324.649 4.953 10 0 DJAEMN Cc1ccc([C@@H](N)c2cc3cc(Br)ccc3o2)cc1 ZINC000020389737 182213534 /nfs/dbraw/zinc/21/35/34/182213534.db2.gz PGXCSAKQYGBBIK-MRXNPFEDSA-N 0 1 316.198 4.552 10 0 DJAEMN CC[C@H](C)C(=O)Nc1cccc(-c2nc3ccc(C)cc3[nH]2)c1 ZINC000021024091 182261375 /nfs/dbraw/zinc/26/13/75/182261375.db2.gz HOFNQVHOXLSTKY-ZDUSSCGKSA-N 0 1 307.397 4.523 10 0 DJAEMN COc1cc(Nc2ccnc3c(C)c(C)ccc23)cc(OC)c1 ZINC000041055401 183160283 /nfs/dbraw/zinc/16/02/83/183160283.db2.gz NFFNGIRKONOYKT-UHFFFAOYSA-N 0 1 308.381 4.612 10 0 DJAEMN CCc1ccc2nccc(Nc3cc(OC)cc(OC)c3)c2c1 ZINC000065005498 184308587 /nfs/dbraw/zinc/30/85/87/184308587.db2.gz YVJAOSPSGRDVDG-UHFFFAOYSA-N 0 1 308.381 4.558 10 0 DJAEMN CCCn1ccc(CN[C@@H](C)c2ccccc2Br)c1 ZINC000091010463 332058675 /nfs/dbraw/zinc/05/86/75/332058675.db2.gz XJJQDKLZASWXPO-ZDUSSCGKSA-N 0 1 321.262 4.511 10 0 DJAEMN Cc1nc(C)c([C@@H](C)N[C@@H]2CC(C)(C)Oc3ccccc32)s1 ZINC000178000868 333000771 /nfs/dbraw/zinc/00/07/71/333000771.db2.gz TYSVXRXTXLFLPC-IUODEOHRSA-N 0 1 316.470 4.713 10 0 DJAEMN CCN(Cc1ccccc1C)[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000101726258 334351016 /nfs/dbraw/zinc/35/10/16/334351016.db2.gz ZWPYEVJSYOYWOL-MRXNPFEDSA-N 0 1 321.424 4.628 10 0 DJAEMN Cc1ccc([C@H](C)N[C@@H](c2ccccc2)c2cccnc2)cc1 ZINC000164987754 334691771 /nfs/dbraw/zinc/69/17/71/334691771.db2.gz SKBHENFZWUGQSU-UWJYYQICSA-N 0 1 302.421 4.830 10 0 DJAEMN Cc1ccc(C)c(CN[C@H](C)c2ccccc2Br)c1 ZINC000042275036 336238344 /nfs/dbraw/zinc/23/83/44/336238344.db2.gz BUQFOKRHTTZFLF-CQSZACIVSA-N 0 1 318.258 4.917 10 0 DJAEMN C[C@H](N[C@@H]1CCOc2ccccc21)c1ccccc1C(F)(F)F ZINC000192794508 336262024 /nfs/dbraw/zinc/26/20/24/336262024.db2.gz VMSDZRNHNVCZNR-BLLLJJGKSA-N 0 1 321.342 4.880 10 0 DJAEMN COc1cccc2cc([C@@H](C)N[C@H]3CCOc4ccccc43)oc21 ZINC000192793532 336262135 /nfs/dbraw/zinc/26/21/35/336262135.db2.gz XKKQHTXKVPEXJO-CJNGLKHVSA-N 0 1 323.392 4.616 10 0 DJAEMN Cc1cc(N[C@@H](CCCO)c2ccccc2)c2cc(F)ccc2n1 ZINC000301668658 336322169 /nfs/dbraw/zinc/32/21/69/336322169.db2.gz MSFJNUDYRJHFQN-SFHVURJKSA-N 0 1 324.399 4.608 10 0 DJAEMN Cc1ccc(CN[C@H](C)c2ccccc2Br)cc1C ZINC000034992215 336384901 /nfs/dbraw/zinc/38/49/01/336384901.db2.gz CRRFCPBPJYDDJD-CQSZACIVSA-N 0 1 318.258 4.917 10 0 DJAEMN C[C@@H](NCc1cccc(Cl)c1)c1ccccc1Br ZINC000034992177 336384937 /nfs/dbraw/zinc/38/49/37/336384937.db2.gz GOVFBXZDYZDUPW-LLVKDONJSA-N 0 1 324.649 4.953 10 0 DJAEMN CCc1ccc(CN[C@@H](C)c2ccccc2Br)cc1 ZINC000034992198 336384985 /nfs/dbraw/zinc/38/49/85/336384985.db2.gz IPAUISZEEXKZPB-ZDUSSCGKSA-N 0 1 318.258 4.862 10 0 DJAEMN Cc1ccc([C@@H](C)N[C@@H](C)c2cc(Br)cs2)o1 ZINC000193947808 337080749 /nfs/dbraw/zinc/08/07/49/337080749.db2.gz WUVLXZHDBBBNHY-ZJUUUORDSA-N 0 1 314.248 4.824 10 0 DJAEMN Cc1cc2c(cc1C)[C@@H](N[C@H]1CCOc3ccccc31)CCCO2 ZINC000178275202 337161920 /nfs/dbraw/zinc/16/19/20/337161920.db2.gz ZFTRWGLDOGKVMJ-OALUTQOASA-N 0 1 323.436 4.631 10 0 DJAEMN COc1ccc([C@@H](C)N[C@H](c2ccccc2)c2cccnc2)cc1 ZINC000178612879 337165489 /nfs/dbraw/zinc/16/54/89/337165489.db2.gz KDVHNJAOWBRQMC-IIBYNOLFSA-N 0 1 318.420 4.530 10 0 DJAEMN c1ccc([C@H](N[C@@H]2CCCc3ccccc32)c2cccnc2)cc1 ZINC000178612798 337165520 /nfs/dbraw/zinc/16/55/20/337165520.db2.gz UIBDAHIQKFRILK-YADHBBJMSA-N 0 1 314.432 4.838 10 0 DJAEMN Cc1cccc([C@@H](C)N[C@H](c2ccccc2)c2cccnc2)c1 ZINC000178614426 337165670 /nfs/dbraw/zinc/16/56/70/337165670.db2.gz KGKYYNGCTMJCQO-DYESRHJHSA-N 0 1 302.421 4.830 10 0 DJAEMN Cc1ccc([C@H](C)N[C@H](C)c2cccc(Br)c2)o1 ZINC000036919953 337794199 /nfs/dbraw/zinc/79/41/99/337794199.db2.gz MKZKJQLBQKAQOX-NEPJUHHUSA-N 0 1 308.219 4.762 10 0 DJAEMN CC[C@@H](N[C@H]1CCOc2ccccc21)c1cc(C)ccc1OC ZINC000093369661 337915840 /nfs/dbraw/zinc/91/58/40/337915840.db2.gz HYYKTFPFXLRKOQ-MSOLQXFVSA-N 0 1 311.425 4.568 10 0 DJAEMN C[C@@H](N[C@H]1CCc2cc(Cl)ccc21)c1cc(F)ccc1F ZINC000083477073 337994913 /nfs/dbraw/zinc/99/49/13/337994913.db2.gz GOOBCXMIFSIIPR-QGHHPUGFSA-N 0 1 307.771 4.956 10 0 DJAEMN Cc1c([C@H](C)N[C@@H](C)c2ccc(C)c(F)c2)cnn1C(C)C ZINC000191338378 340553123 /nfs/dbraw/zinc/55/31/23/340553123.db2.gz FXAZNDPHUZHLPE-KBPBESRZSA-N 0 1 303.425 4.632 10 0 DJAEMN COc1ccc([C@@H](C)N[C@H](C)c2ccc(Cl)cc2)c(F)c1 ZINC000037218028 340774960 /nfs/dbraw/zinc/77/49/60/340774960.db2.gz ZSTMRQQQZJJZIM-VXGBXAGGSA-N 0 1 307.796 4.900 10 0 DJAEMN C[C@H]1C[C@H](N[C@H]2CCOc3ccccc32)c2ccsc2S1 ZINC000130217082 524929136 /nfs/dbraw/zinc/92/91/36/524929136.db2.gz BEXRENVWKVHZSD-CQDKDKBSSA-N 0 1 317.479 4.787 10 0 DJAEMN C[C@@H](N[C@H](C)c1nc2ccc(Cl)cc2n1C)c1cccs1 ZINC000179972313 525665069 /nfs/dbraw/zinc/66/50/69/525665069.db2.gz ZIOTXBZVWLDNEK-GHMZBOCLSA-N 0 1 319.861 4.700 10 0 DJAEMN Cc1c([C@H](C)N[C@H](C)c2ccc(F)c(F)c2)cnn1C(C)(C)C ZINC000191104569 525924393 /nfs/dbraw/zinc/92/43/93/525924393.db2.gz ZSZVMJYYSAOWKY-NEPJUHHUSA-N 0 1 321.415 4.637 10 0 DJAEMN O=C(Nc1c(Cl)cccc1Cl)c1cc(Cl)ccc1O ZINC000090484855 185298572 /nfs/dbraw/zinc/29/85/72/185298572.db2.gz MCZKTWCKEBXFLO-UHFFFAOYSA-N 0 1 316.571 4.605 10 0 DJAEMN CC(C)(C)c1cccc(NC(=O)c2cc(Cl)ccc2O)c1 ZINC000090484992 185298670 /nfs/dbraw/zinc/29/86/70/185298670.db2.gz APRLJIKXNXQBNL-UHFFFAOYSA-N 0 1 303.789 4.595 10 0 DJAEMN C[C@@H](NCc1ccccc1Cl)c1cccc(Br)c1 ZINC000019908197 182162876 /nfs/dbraw/zinc/16/28/76/182162876.db2.gz ULABZHJCJLRXGW-LLVKDONJSA-N 0 1 324.649 4.953 10 0 DJAEMN C[C@H](NCc1ccccc1Cl)c1cccc(Br)c1 ZINC000019908198 182162934 /nfs/dbraw/zinc/16/29/34/182162934.db2.gz ULABZHJCJLRXGW-NSHDSACASA-N 0 1 324.649 4.953 10 0 DJAEMN Cc1ccc(COc2ccccc2CNCc2cccs2)cc1 ZINC000020873606 182251003 /nfs/dbraw/zinc/25/10/03/182251003.db2.gz YWPIBKHOZZGTLF-UHFFFAOYSA-N 0 1 323.461 4.925 10 0 DJAEMN CCOC(=O)c1ccc(Nc2ccnc3c(C)cc(C)cc23)cc1 ZINC000041054918 183159128 /nfs/dbraw/zinc/15/91/28/183159128.db2.gz XYBSQNVKPPPAHX-UHFFFAOYSA-N 0 1 320.392 4.772 10 0 DJAEMN CCOC(=O)c1cccc(Nc2ccnc3c(C)c(C)ccc23)c1 ZINC000041055395 183160438 /nfs/dbraw/zinc/16/04/38/183160438.db2.gz JFEPWXNLFSTCPA-UHFFFAOYSA-N 0 1 320.392 4.772 10 0 DJAEMN CCCn1ccc(CN[C@H](C)c2ccccc2Br)c1 ZINC000091010464 332058672 /nfs/dbraw/zinc/05/86/72/332058672.db2.gz XJJQDKLZASWXPO-CYBMUJFWSA-N 0 1 321.262 4.511 10 0 DJAEMN Cc1cncc(CN[C@@H](c2ccccc2)c2ccccc2C)c1 ZINC000181028979 332173328 /nfs/dbraw/zinc/17/33/28/332173328.db2.gz PIRIRDKAFOSERC-NRFANRHFSA-N 0 1 302.421 4.578 10 0 DJAEMN COc1ccsc1[C@@H](C)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000186124295 333217430 /nfs/dbraw/zinc/21/74/30/333217430.db2.gz IUUSAVUSDBYHIC-NXEZZACHSA-N 0 1 313.825 4.961 10 0 DJAEMN Cc1ccc([C@H](C)N[C@@H]2CCc3cc(Br)ccc32)o1 ZINC000040227002 333341581 /nfs/dbraw/zinc/34/15/81/333341581.db2.gz ZQGYNBMAULFTIR-XHDPSFHLSA-N 0 1 320.230 4.689 10 0 DJAEMN Cc1ccc([C@@H](C)N[C@H](c2ccccc2)c2cccnc2)cc1 ZINC000164987889 334691788 /nfs/dbraw/zinc/69/17/88/334691788.db2.gz SKBHENFZWUGQSU-DYESRHJHSA-N 0 1 302.421 4.830 10 0 DJAEMN C[C@@H](N[C@H]1CCOc2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000192792721 336261984 /nfs/dbraw/zinc/26/19/84/336261984.db2.gz UTPCFBIEFKPJQX-WBMJQRKESA-N 0 1 321.342 4.880 10 0 DJAEMN COc1cccc2cc([C@H](C)N[C@H]3CCOc4ccccc43)oc21 ZINC000192793519 336262018 /nfs/dbraw/zinc/26/20/18/336262018.db2.gz XKKQHTXKVPEXJO-BBRMVZONSA-N 0 1 323.392 4.616 10 0 DJAEMN Fc1ccc2c(c1)nccc2NC[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000301444592 336307139 /nfs/dbraw/zinc/30/71/39/336307139.db2.gz VEMPQUGBUSEVOO-MGPUTAFESA-N 0 1 322.383 4.564 10 0 DJAEMN Cc1ccc(CN[C@@H](C)c2ccccc2Br)cc1C ZINC000034992214 336384890 /nfs/dbraw/zinc/38/48/90/336384890.db2.gz CRRFCPBPJYDDJD-AWEZNQCLSA-N 0 1 318.258 4.917 10 0 DJAEMN Cc1ccc([C@@H](C)N[C@H]2CCc3ccc(Br)cc32)o1 ZINC000193159006 336619605 /nfs/dbraw/zinc/61/96/05/336619605.db2.gz ZOJWTCTWHIKCBF-ABAIWWIYSA-N 0 1 320.230 4.689 10 0 DJAEMN CC[C@@H](N[C@H](c1ccccc1)c1cccnc1)c1cccs1 ZINC000178609556 337165399 /nfs/dbraw/zinc/16/53/99/337165399.db2.gz DXNUSCCEFXPKLQ-IEBWSBKVSA-N 0 1 308.450 4.973 10 0 DJAEMN C[C@H](N[C@H](c1ccccc1)c1cccnc1)c1ccc(F)cc1 ZINC000178612770 337165500 /nfs/dbraw/zinc/16/55/00/337165500.db2.gz CPPWCCZWMMVFOZ-MGPUTAFESA-N 0 1 306.384 4.661 10 0 DJAEMN CC[C@H](N[C@@H](c1ccccc1)c1cccnc1)c1ccccc1 ZINC000178607947 337165518 /nfs/dbraw/zinc/16/55/18/337165518.db2.gz KDBZTIDMHBQUTG-SFTDATJTSA-N 0 1 302.421 4.912 10 0 DJAEMN Cc1cccc([C@H](C)N[C@@H](c2ccccc2)c2cccnc2)c1 ZINC000178614416 337165664 /nfs/dbraw/zinc/16/56/64/337165664.db2.gz KGKYYNGCTMJCQO-UWJYYQICSA-N 0 1 302.421 4.830 10 0 DJAEMN c1ccc2c(c1)Sc1ccccc1C2=C1CN2CCC1CC2 ZINC000584616650 337372974 /nfs/dbraw/zinc/37/29/74/337372974.db2.gz PVYBDNPBSKIARB-UHFFFAOYSA-N 0 1 305.446 4.679 10 0 DJAEMN CCc1ccc([C@H](C)N[C@@H](C)c2nc3ccccc3n2C)cc1 ZINC000121574160 337895605 /nfs/dbraw/zinc/89/56/05/337895605.db2.gz GVNYQPCRIJCDLS-GJZGRUSLSA-N 0 1 307.441 4.548 10 0 DJAEMN COc1ccsc1[C@@H](C)N[C@@H](C)c1ccc(Cl)s1 ZINC000186096770 340508202 /nfs/dbraw/zinc/50/82/02/340508202.db2.gz ZEORTPCYZGPZET-DTWKUNHWSA-N 0 1 301.864 4.883 10 0 DJAEMN Cc1cc(CN[C@H](C)c2ccccc2Br)cs1 ZINC000328408211 340785199 /nfs/dbraw/zinc/78/51/99/340785199.db2.gz FXTSXJQRYRTYQA-LLVKDONJSA-N 0 1 310.260 4.670 10 0 DJAEMN COc1ccsc1[C@H](C)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000186124242 518170831 /nfs/dbraw/zinc/17/08/31/518170831.db2.gz IUUSAVUSDBYHIC-UWVGGRQHSA-N 0 1 313.825 4.961 10 0 DJAEMN C[C@H]1C[C@@H](N[C@H]2CCOc3ccccc32)c2ccsc2S1 ZINC000130217272 524811364 /nfs/dbraw/zinc/81/13/64/524811364.db2.gz BEXRENVWKVHZSD-TUKIKUTGSA-N 0 1 317.479 4.787 10 0 DJAEMN Cc1c([C@H](C)N[C@@H](C)c2ccc(F)c(F)c2)cnn1C(C)(C)C ZINC000191104539 525921783 /nfs/dbraw/zinc/92/17/83/525921783.db2.gz ZSZVMJYYSAOWKY-RYUDHWBXSA-N 0 1 321.415 4.637 10 0 DJAEMN CC[C@H](NCc1ccccc1F)c1ccc(Br)cc1 ZINC000019950250 182169621 /nfs/dbraw/zinc/16/96/21/182169621.db2.gz XOEGTIDFUSLKBQ-INIZCTEOSA-N 0 1 322.221 4.829 10 0 DJAEMN Cc1ccc([C@H](N)c2cc3cc(Br)ccc3o2)cc1 ZINC000020389743 182213636 /nfs/dbraw/zinc/21/36/36/182213636.db2.gz PGXCSAKQYGBBIK-INIZCTEOSA-N 0 1 316.198 4.552 10 0 DJAEMN CCCOc1ccc(Cl)cc1CNCc1ccc(F)cc1 ZINC000020928901 182254595 /nfs/dbraw/zinc/25/45/95/182254595.db2.gz VZIGFIWLZCDBOJ-UHFFFAOYSA-N 0 1 307.796 4.558 10 0 DJAEMN c1csc(-c2nc(-c3cccnc3)[nH]c2-c2ccccc2)c1 ZINC000020868969 182250849 /nfs/dbraw/zinc/25/08/49/182250849.db2.gz UNEIKYIWMIZNBZ-UHFFFAOYSA-N 0 1 303.390 4.867 10 0 DJAEMN COc1ccc(Nc2ccnc3c(C)cc(C)cc23)cc1OC ZINC000041054943 183159000 /nfs/dbraw/zinc/15/90/00/183159000.db2.gz MUIGBHCCZMNSHQ-UHFFFAOYSA-N 0 1 308.381 4.612 10 0 DJAEMN Cc1ccc2nccc(Nc3ccc(C(=O)OC(C)C)cc3)c2c1 ZINC000041054818 183159503 /nfs/dbraw/zinc/15/95/03/183159503.db2.gz YFPWOYDDDZZYAN-UHFFFAOYSA-N 0 1 320.392 4.852 10 0 DJAEMN COc1cc2nccc(Nc3ccc(C)cc3C)c2cc1OC ZINC000065005280 184308494 /nfs/dbraw/zinc/30/84/94/184308494.db2.gz UZUOBLGCEYANLZ-UHFFFAOYSA-N 0 1 308.381 4.612 10 0 DJAEMN Cc1ccccc1[C@H](C)NCc1ccc(CSC(F)F)o1 ZINC000035014890 331466165 /nfs/dbraw/zinc/46/61/65/331466165.db2.gz UQWGJLPRRAAQEH-LBPRGKRZSA-N 0 1 311.397 4.895 10 0 DJAEMN C[C@H](N[C@@H]1CCOc2ccccc21)c1cccc(C(F)(F)F)c1 ZINC000192792674 336261937 /nfs/dbraw/zinc/26/19/37/336261937.db2.gz UTPCFBIEFKPJQX-BLLLJJGKSA-N 0 1 321.342 4.880 10 0 DJAEMN C[C@H](N[C@@H]1CCOc2ccccc21)c1ccc(C(F)(F)F)cc1 ZINC000192793062 336261974 /nfs/dbraw/zinc/26/19/74/336261974.db2.gz AFQRLZYSOHJVMN-BLLLJJGKSA-N 0 1 321.342 4.880 10 0 DJAEMN CSc1ccc([C@H](C)N[C@H]2CCOc3ccccc32)cc1F ZINC000178273864 337161871 /nfs/dbraw/zinc/16/18/71/337161871.db2.gz FHYURMYHADJPOA-LRDDRELGSA-N 0 1 317.429 4.722 10 0 DJAEMN CSc1ccc([C@H](C)N[C@@H]2CCOc3ccccc32)cc1F ZINC000178273841 337161892 /nfs/dbraw/zinc/16/18/92/337161892.db2.gz FHYURMYHADJPOA-BLLLJJGKSA-N 0 1 317.429 4.722 10 0 DJAEMN CC[C@@H](N[C@@H]1CCOc2ccccc21)c1ccc(F)cc1F ZINC000178275369 337161970 /nfs/dbraw/zinc/16/19/70/337161970.db2.gz QVPQUQPIRLMPJG-IAGOWNOFSA-N 0 1 303.352 4.529 10 0 DJAEMN Cc1ccsc1[C@@H](C)N[C@@H](c1ccccc1)c1cccnc1 ZINC000178609874 340451010 /nfs/dbraw/zinc/45/10/10/340451010.db2.gz PTDRNOIIKNBOOV-QAPCUYQASA-N 0 1 308.450 4.892 10 0 DJAEMN COc1ccc([C@@H](C)N[C@@H](C)c2ccc(F)c(F)c2)c(F)c1 ZINC000124415272 340798855 /nfs/dbraw/zinc/79/88/55/340798855.db2.gz ONUSSZMQBWKEJL-WDEREUQCSA-N 0 1 309.331 4.524 10 0 DJAEMN C[C@H](N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1cccnc1 ZINC000158563901 525548314 /nfs/dbraw/zinc/54/83/14/525548314.db2.gz QXYYONPYMTUHHQ-MAUKXSAKSA-N 0 1 308.425 4.569 10 0 DJAEMN C[C@@H](N[C@@H](C)c1cccs1)c1nc2ccc(Cl)cc2n1C ZINC000179972301 525616534 /nfs/dbraw/zinc/61/65/34/525616534.db2.gz ZIOTXBZVWLDNEK-WDEREUQCSA-N 0 1 319.861 4.700 10 0 DJAEMN Cc1c([C@@H](C)N[C@H](C)c2ccc(F)c(F)c2)cnn1C(C)(C)C ZINC000191104555 525902055 /nfs/dbraw/zinc/90/20/55/525902055.db2.gz ZSZVMJYYSAOWKY-VXGBXAGGSA-N 0 1 321.415 4.637 10 0 DJAEMN Cc1cc(NC(=O)c2cc(Cl)ccc2O)ccc1C(C)C ZINC000090484916 185298600 /nfs/dbraw/zinc/29/86/00/185298600.db2.gz VMWINDMRQWCMPQ-UHFFFAOYSA-N 0 1 303.789 4.730 10 0 DJAEMN C[C@H](NCc1ccccc1Br)c1ccc(Cl)cc1 ZINC000020122012 182189304 /nfs/dbraw/zinc/18/93/04/182189304.db2.gz RSSXLJTYZXODQW-NSHDSACASA-N 0 1 324.649 4.953 10 0 DJAEMN C[C@H](NCc1ccc(Cl)cc1)c1ccccc1Br ZINC000020209712 182197656 /nfs/dbraw/zinc/19/76/56/182197656.db2.gz YDPQMONNAQQLFQ-NSHDSACASA-N 0 1 324.649 4.953 10 0 DJAEMN COc1ccc(Nc2ccnc3c(C)c(C)ccc23)cc1OC ZINC000041055329 183160208 /nfs/dbraw/zinc/16/02/08/183160208.db2.gz DXNSHCFWJDIBOM-UHFFFAOYSA-N 0 1 308.381 4.612 10 0 DJAEMN CC(C)C[C@@H]1CSC(N[C@@H](C)c2ccc(Cl)s2)=N1 ZINC000042591991 183288634 /nfs/dbraw/zinc/28/86/34/183288634.db2.gz FCINJCCHRKTHFH-VHSXEESVSA-N 0 1 302.896 4.570 10 0 DJAEMN CC(C)C[C@H]1CSC(N[C@H](C)c2ccc(Cl)s2)=N1 ZINC000042592000 183288659 /nfs/dbraw/zinc/28/86/59/183288659.db2.gz FCINJCCHRKTHFH-ZJUUUORDSA-N 0 1 302.896 4.570 10 0 DJAEMN Cc1ccc([C@@H](C)NCc2sccc2Br)s1 ZINC000043675334 183378997 /nfs/dbraw/zinc/37/89/97/183378997.db2.gz RQSRCSYCJYYJKJ-SECBINFHSA-N 0 1 316.289 4.731 10 0 DJAEMN COc1cc2nccc(Nc3ccc(Cl)cc3)c2cc1OC ZINC000065005331 184308204 /nfs/dbraw/zinc/30/82/04/184308204.db2.gz CAZUOSFSOJRCNY-UHFFFAOYSA-N 0 1 314.772 4.649 10 0 DJAEMN CCc1ccccc1Nc1ccnc2cc(OC)c(OC)cc21 ZINC000065005268 184308387 /nfs/dbraw/zinc/30/83/87/184308387.db2.gz GPXQSMIMBGCSFD-UHFFFAOYSA-N 0 1 308.381 4.558 10 0 DJAEMN COc1cc2nccc(Nc3ccccc3Cl)c2cc1OC ZINC000065005232 184308478 /nfs/dbraw/zinc/30/84/78/184308478.db2.gz HVWCAEBJGGAXDT-UHFFFAOYSA-N 0 1 314.772 4.649 10 0 DJAEMN Cc1ccc([C@H](NCc2cncc(C)c2)c2ccccc2)c(C)c1 ZINC000181029600 332173246 /nfs/dbraw/zinc/17/32/46/332173246.db2.gz IOKNREKWKAMQAB-JOCHJYFZSA-N 0 1 316.448 4.886 10 0 DJAEMN Cc1nc(C)c([C@@H](C)N[C@H]2CC(C)(C)Oc3ccccc32)s1 ZINC000178000891 333000877 /nfs/dbraw/zinc/00/08/77/333000877.db2.gz TYSVXRXTXLFLPC-DOMZBBRYSA-N 0 1 316.470 4.713 10 0 DJAEMN COc1cccc2cc([C@H](C)N[C@@H]3CCOc4ccccc43)oc21 ZINC000192793496 336262067 /nfs/dbraw/zinc/26/20/67/336262067.db2.gz XKKQHTXKVPEXJO-XJKSGUPXSA-N 0 1 323.392 4.616 10 0 DJAEMN Cc1ccc([C@@H](C)N[C@H](c2ccccc2)c2cccnc2)s1 ZINC000178606748 337165392 /nfs/dbraw/zinc/16/53/92/337165392.db2.gz CSOWYRYWIRZKPI-DNVCBOLYSA-N 0 1 308.450 4.892 10 0 DJAEMN Cc1ccc2c(c1)[C@H](N[C@H](c1ccccc1)c1cccnc1)CC2 ZINC000178611911 337165446 /nfs/dbraw/zinc/16/54/46/337165446.db2.gz CZDKLKNQJNUKSO-FGZHOGPDSA-N 0 1 314.432 4.757 10 0 DJAEMN COc1ccc([C@@H](C)N[C@@H](c2ccccc2)c2cccnc2)cc1 ZINC000178612853 337165452 /nfs/dbraw/zinc/16/54/52/337165452.db2.gz KDVHNJAOWBRQMC-IERDGZPVSA-N 0 1 318.420 4.530 10 0 DJAEMN Fc1ccc2c(c1)[C@H](N[C@@H](c1ccccc1)c1cccnc1)CC2 ZINC000178610747 337165471 /nfs/dbraw/zinc/16/54/71/337165471.db2.gz LXTZKLUWUUDQKG-RTWAWAEBSA-N 0 1 318.395 4.587 10 0 DJAEMN CC[C@H](N[C@@H](c1ccccc1)c1cccnc1)c1cccs1 ZINC000178609520 337165532 /nfs/dbraw/zinc/16/55/32/337165532.db2.gz DXNUSCCEFXPKLQ-HKUYNNGSSA-N 0 1 308.450 4.973 10 0 DJAEMN CC1(C)C[C@H](N[C@@H]2CCCOc3ccccc32)c2ccccc2O1 ZINC000133593820 337445744 /nfs/dbraw/zinc/44/57/44/337445744.db2.gz OCCIDJKJOSYZPX-MSOLQXFVSA-N 0 1 323.436 4.792 10 0 DJAEMN CC1(C)C[C@@H](N[C@H]2CCCOc3ccccc32)c2ccccc2O1 ZINC000133594384 337445750 /nfs/dbraw/zinc/44/57/50/337445750.db2.gz OCCIDJKJOSYZPX-ZWKOTPCHSA-N 0 1 323.436 4.792 10 0 DJAEMN c1ccc2c(c1)-c1ccccc1C2N[C@H]1CCOc2ccccc21 ZINC000194710726 338723921 /nfs/dbraw/zinc/72/39/21/338723921.db2.gz SQFZSVMWHDQHTJ-FQEVSTJZSA-N 0 1 313.400 4.870 10 0 DJAEMN Cc1ccc([C@@H](C)NCc2ccc(Cl)c3cccnc23)o1 ZINC000166413352 339053260 /nfs/dbraw/zinc/05/32/60/339053260.db2.gz HZADKTXBMLVMIZ-GFCCVEGCSA-N 0 1 300.789 4.640 10 0 DJAEMN C[C@@H](N[C@H](C)c1ccc(Cl)cn1)c1ccc(Cl)s1 ZINC000480332789 339569413 /nfs/dbraw/zinc/56/94/13/339569413.db2.gz VPAZHGDPBMQJQV-RKDXNWHRSA-N 0 1 301.242 4.862 10 0 DJAEMN CS[C@@H]1CC[C@@H]1N[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000484379906 339685784 /nfs/dbraw/zinc/68/57/84/339685784.db2.gz PYKFHGCYTTUVPO-BKDNQFJXSA-N 0 1 308.249 4.677 10 0 DJAEMN COc1cc(Nc2ccnc3c(C)cc(C)cc23)cc(OC)c1 ZINC000041055019 183159666 /nfs/dbraw/zinc/15/96/66/183159666.db2.gz AVORHZSTMVWZMQ-UHFFFAOYSA-N 0 1 308.381 4.612 10 0 DJAEMN Oc1ccc(/C=C/c2cc(O)c(Cc3ccccc3)c(O)c2)cc1 ZINC000504780835 257132592 /nfs/dbraw/zinc/13/25/92/257132592.db2.gz YJDRBUZHHWCCKI-VOTSOKGWSA-N 0 1 318.372 4.565 10 0 DJAEMN Cc1ccc([C@H](C)NCc2ccc(OC(F)F)c(Cl)c2)o1 ZINC000067120388 335148197 /nfs/dbraw/zinc/14/81/97/335148197.db2.gz ZCKQRUUQYDDTGV-JTQLQIEISA-N 0 1 315.747 4.694 10 0 DJAEMN Cc1ccc([C@@H](C)NCc2ccccc2Br)cc1C ZINC000048819704 334301285 /nfs/dbraw/zinc/30/12/85/334301285.db2.gz RLKGHNZPRYCTNQ-CQSZACIVSA-N 0 1 318.258 4.917 10 0 DJAEMN Cc1ccc([C@@H](C)N[C@@H](c2ccccc2)c2cccnc2)cc1 ZINC000164987636 334691610 /nfs/dbraw/zinc/69/16/10/334691610.db2.gz SKBHENFZWUGQSU-UTKZUKDTSA-N 0 1 302.421 4.830 10 0 DJAEMN C[C@@H](N[C@@H]1CCOc2ccccc21)c1ccccc1C(F)(F)F ZINC000192794521 336262028 /nfs/dbraw/zinc/26/20/28/336262028.db2.gz VMSDZRNHNVCZNR-MLGOLLRUSA-N 0 1 321.342 4.880 10 0 DJAEMN Cc1c2ccccc2oc1[C@@H](C)N[C@@H]1CCOc2ccccc21 ZINC000193002664 336286939 /nfs/dbraw/zinc/28/69/39/336286939.db2.gz MRBGOBOKYITRTB-RHSMWYFYSA-N 0 1 307.393 4.916 10 0 DJAEMN Cc1ccc([C@H](C)N[C@H]2CCc3ccc(Br)cc32)o1 ZINC000193159018 336619791 /nfs/dbraw/zinc/61/97/91/336619791.db2.gz ZOJWTCTWHIKCBF-NHYWBVRUSA-N 0 1 320.230 4.689 10 0 DJAEMN COc1cccc([C@@H](C)N[C@H](c2ccccc2)c2cccnc2)c1 ZINC000177290045 337156714 /nfs/dbraw/zinc/15/67/14/337156714.db2.gz NGIPXHHAGBBNIO-IIBYNOLFSA-N 0 1 318.420 4.530 10 0 DJAEMN CC[C@H](N[C@H]1CCOc2ccccc21)c1ccc(F)cc1F ZINC000178275384 337162023 /nfs/dbraw/zinc/16/20/23/337162023.db2.gz QVPQUQPIRLMPJG-IRXDYDNUSA-N 0 1 303.352 4.529 10 0 DJAEMN COc1ccc([C@H](C)N[C@@H](c2ccccc2)c2cccnc2)cc1 ZINC000178612843 337165444 /nfs/dbraw/zinc/16/54/44/337165444.db2.gz KDVHNJAOWBRQMC-KKSFZXQISA-N 0 1 318.420 4.530 10 0 DJAEMN c1ccc([C@@H](N[C@@H]2CCCc3ccccc32)c2cccnc2)cc1 ZINC000178612808 337165510 /nfs/dbraw/zinc/16/55/10/337165510.db2.gz UIBDAHIQKFRILK-FGZHOGPDSA-N 0 1 314.432 4.838 10 0 DJAEMN CC1(C)C[C@H](NCc2ccc(Cl)s2)c2ccccc2O1 ZINC000152994832 338215338 /nfs/dbraw/zinc/21/53/38/338215338.db2.gz WDZZFUNYPKVMQH-ZDUSSCGKSA-N 0 1 307.846 4.794 10 0 DJAEMN Cc1ccccc1[C@H](C)NCc1cccc(F)c1Br ZINC000156725288 338381722 /nfs/dbraw/zinc/38/17/22/338381722.db2.gz AWRXDRCGNSNCRJ-LBPRGKRZSA-N 0 1 322.221 4.747 10 0 DJAEMN COc1ccc([C@@H](C)N[C@@H](C)c2cccc(Cl)c2)c(F)c1 ZINC000037219257 340774963 /nfs/dbraw/zinc/77/49/63/340774963.db2.gz XUYUCJDKSATYHZ-NWDGAFQWSA-N 0 1 307.796 4.900 10 0 DJAEMN C[C@@H](N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1cccnc1 ZINC000158564025 525631021 /nfs/dbraw/zinc/63/10/21/525631021.db2.gz QXYYONPYMTUHHQ-CRAIPNDOSA-N 0 1 308.425 4.569 10 0 DJAEMN