smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCOc1cc(C)ccc1CN[C@H](C)c1cncs1 ZINC000167674754 334928689 /nfs/dbraw/zinc/92/86/89/334928689.db2.gz MNORGGMDGVHERT-CYBMUJFWSA-N 0 1 290.432 4.091 20 0 CIADMN CCN(Cc1cccs1)Cc1ccc(F)c(F)c1 ZINC000096954337 185140418 /nfs/dbraw/zinc/14/04/18/185140418.db2.gz XQYBUAVEKRJIAD-UHFFFAOYSA-N 0 1 267.344 4.048 20 0 CIADMN CN(Cc1cccnc1)C1c2ccccc2-c2ccccc21 ZINC000096971703 185144174 /nfs/dbraw/zinc/14/41/74/185144174.db2.gz VABIDBULXJMMGN-UHFFFAOYSA-N 0 1 286.378 4.283 20 0 CIADMN CC[C@H](NCc1ccc2c(c1)COC2)c1ccccc1F ZINC000352847473 529629564 /nfs/dbraw/zinc/62/95/64/529629564.db2.gz CUDGGNQRABYKNI-SFHVURJKSA-N 0 1 285.362 4.097 20 0 CIADMN CCc1ccc(CN2CCc3sccc3[C@H]2CC)cn1 ZINC000347589943 529644567 /nfs/dbraw/zinc/64/45/67/529644567.db2.gz ADDMRMNGRMGNJH-MRXNPFEDSA-N 0 1 286.444 4.215 20 0 CIADMN CC[C@H](NCc1cn2cc(C)ccc2n1)c1cccc(C)c1 ZINC000353521597 529634474 /nfs/dbraw/zinc/63/44/74/529634474.db2.gz QJFSTKURAHXBTA-SFHVURJKSA-N 0 1 293.414 4.192 20 0 CIADMN CCc1ccc(CN(C)Cc2csc3ccccc23)cn1 ZINC000347678507 529636262 /nfs/dbraw/zinc/63/62/62/529636262.db2.gz VUDRONNMYGKJFY-UHFFFAOYSA-N 0 1 296.439 4.491 20 0 CIADMN CC[C@H](N[C@H](C)c1ccncc1OC)c1cccc(C)c1 ZINC000353668484 529667324 /nfs/dbraw/zinc/66/73/24/529667324.db2.gz GMJSOMDWRAZASR-PBHICJAKSA-N 0 1 284.403 4.201 20 0 CIADMN FCCN[C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000309609543 260180691 /nfs/dbraw/zinc/18/06/91/260180691.db2.gz YYSBVCPNEVPCNC-GFCCVEGCSA-N 0 1 262.155 4.004 20 0 CIADMN Cc1ncccc1CN1CCC(=Cc2cccc(F)c2)CC1 ZINC000573407720 334935675 /nfs/dbraw/zinc/93/56/75/334935675.db2.gz XPHKLBVTNIEYLZ-UHFFFAOYSA-N 0 1 296.389 4.209 20 0 CIADMN Cc1ccc(-c2nnc([C@H](C)[N@H+](C)CCC(C)C)o2)cc1 ZINC000126671277 187254838 /nfs/dbraw/zinc/25/48/38/187254838.db2.gz KDLRJTIEUWCDBC-AWEZNQCLSA-N 0 1 287.407 4.084 20 0 CIADMN Cc1ccc(-c2nnc([C@H](C)N(C)CCC(C)C)o2)cc1 ZINC000126671277 187254839 /nfs/dbraw/zinc/25/48/39/187254839.db2.gz KDLRJTIEUWCDBC-AWEZNQCLSA-N 0 1 287.407 4.084 20 0 CIADMN CCc1ccc([C@@H](CC)N[C@H](c2nccn2C)C2CC2)cc1 ZINC000353880657 529708009 /nfs/dbraw/zinc/70/80/09/529708009.db2.gz JWJXPPNVGCJGBI-MSOLQXFVSA-N 0 1 297.446 4.175 20 0 CIADMN CCc1ccc([C@H](CC)N[C@@H](c2nccn2C)C2CC2)cc1 ZINC000353880660 529722502 /nfs/dbraw/zinc/72/25/02/529722502.db2.gz JWJXPPNVGCJGBI-ZWKOTPCHSA-N 0 1 297.446 4.175 20 0 CIADMN Cc1nsc(C)c1CN[C@H](C)c1ccc(F)c(C)c1 ZINC000576526642 335215188 /nfs/dbraw/zinc/21/51/88/335215188.db2.gz HPLITLAKIDDEQO-SNVBAGLBSA-N 0 1 278.396 4.058 20 0 CIADMN Cc1cc(C)c(CNCc2ccc3c(n2)CCCC3)cc1C ZINC000444004188 370690876 /nfs/dbraw/zinc/69/08/76/370690876.db2.gz KXZDMLTXNKIUGP-UHFFFAOYSA-N 0 1 294.442 4.175 20 0 CIADMN Cc1cc(C)c(CNCc2ccc3c(n2)CCCC3)c(C)c1 ZINC000444017901 370692273 /nfs/dbraw/zinc/69/22/73/370692273.db2.gz SLYIJCDXLYODNK-UHFFFAOYSA-N 0 1 294.442 4.175 20 0 CIADMN CC[C@@H]1CCCN(Cc2ncc(C(C)(C)C)s2)C1 ZINC000448336495 261118363 /nfs/dbraw/zinc/11/83/63/261118363.db2.gz DVWLZRYENPBOKS-GFCCVEGCSA-N 0 1 266.454 4.063 20 0 CIADMN CC[C@@H](NCc1ccncc1F)c1cccc(Cl)c1 ZINC000449075166 261150483 /nfs/dbraw/zinc/15/04/83/261150483.db2.gz DGKNQSCDJXAHHU-OAHLLOKOSA-N 0 1 278.758 4.115 20 0 CIADMN CCc1cc(CN[C@H]2C[C@H](C(C)C)c3ccccc32)on1 ZINC000574393208 335015654 /nfs/dbraw/zinc/01/56/54/335015654.db2.gz JEUVJBGSIXVLTC-MSOLQXFVSA-N 0 1 284.403 4.211 20 0 CIADMN CCC1(CC)CCC[N@@H+](Cc2ccc(C(=O)[O-])s2)CC1 ZINC000574406684 335017195 /nfs/dbraw/zinc/01/71/95/335017195.db2.gz SAMNBBNAGNMNMV-UHFFFAOYSA-N 0 1 295.448 4.239 20 0 CIADMN C[C@@H](Cc1ccsc1)N1CCc2c(F)ccc(F)c2C1 ZINC000574477323 335022983 /nfs/dbraw/zinc/02/29/83/335022983.db2.gz IJBBIYLHBIRUKN-NSHDSACASA-N 0 1 293.382 4.016 20 0 CIADMN CC[C@@H](NCc1cn2cc(C)ccc2n1)c1ccc(C)cc1 ZINC000171110723 335055660 /nfs/dbraw/zinc/05/56/60/335055660.db2.gz MQOPCYNKHDULSF-GOSISDBHSA-N 0 1 293.414 4.192 20 0 CIADMN CC[C@H](C)c1ccc([C@@H]([NH2+]Cc2c[nH]cn2)C(C)C)cc1 ZINC000171127571 335055873 /nfs/dbraw/zinc/05/58/73/335055873.db2.gz ZMGGGNBQZRFYMB-KSSFIOAISA-N 0 1 285.435 4.410 20 0 CIADMN Cc1ccccc1CN[C@H](C)c1ccc(F)cc1F ZINC000034993090 260003124 /nfs/dbraw/zinc/00/31/24/260003124.db2.gz UOIQUHFIPCOVKF-GFCCVEGCSA-N 0 1 261.315 4.124 20 0 CIADMN CCCOc1cccc(CN[C@@H]2c3ccccc3O[C@@H]2C)c1 ZINC000575020382 335056501 /nfs/dbraw/zinc/05/65/01/335056501.db2.gz NSHGJAMLEDNRDC-KUHUBIRLSA-N 0 1 297.398 4.087 20 0 CIADMN CCc1nc(C)c(CN[C@H](C)c2cc(C)ccc2C)o1 ZINC000312449369 260023159 /nfs/dbraw/zinc/02/31/59/260023159.db2.gz WCZLSAGNPOFASJ-CYBMUJFWSA-N 0 1 272.392 4.013 20 0 CIADMN COc1ccc(C)cc1[C@H](C)N[C@@H]1CCOc2ccccc21 ZINC000192736620 533416802 /nfs/dbraw/zinc/41/68/02/533416802.db2.gz PTKRVZWBSUATDC-WMLDXEAASA-N 0 1 297.398 4.178 20 0 CIADMN C[C@@H](N[C@@H]1CCCc2c(F)cccc21)c1cncc(F)c1 ZINC000334623506 533523637 /nfs/dbraw/zinc/52/36/37/533523637.db2.gz RNLAWKFOPVQHKK-PIGZYNQJSA-N 0 1 288.341 4.088 20 0 CIADMN CCN(Cc1ccccc1)Cc1ccc(C(F)(F)F)cn1 ZINC000341833116 130064437 /nfs/dbraw/zinc/06/44/37/130064437.db2.gz DGADPADJAKWXBD-UHFFFAOYSA-N 0 1 294.320 4.123 20 0 CIADMN CC(C)[C@H](C)N(C)Cc1csc(C2CCCC2)n1 ZINC000341812220 130072423 /nfs/dbraw/zinc/07/24/23/130072423.db2.gz XDNGHLLOFSJTHZ-LBPRGKRZSA-N 0 1 266.454 4.277 20 0 CIADMN C[C@@H]1CC[C@H](C)N1Cc1csc(C2CCCC2)n1 ZINC000342068761 130233228 /nfs/dbraw/zinc/23/32/28/130233228.db2.gz KJILGVANOAEYBN-TXEJJXNPSA-N 0 1 264.438 4.174 20 0 CIADMN C[C@@H]1CC[C@@H](C)N1Cc1csc(C2CCCC2)n1 ZINC000342068762 130233283 /nfs/dbraw/zinc/23/32/83/130233283.db2.gz KJILGVANOAEYBN-VXGBXAGGSA-N 0 1 264.438 4.174 20 0 CIADMN Cc1nc([C@H](C)N[C@@H]2C[C@@H](c3cccc(C)c3)C2)cs1 ZINC000366767738 130373999 /nfs/dbraw/zinc/37/39/99/130373999.db2.gz MLOSUTVKCBOVKL-RCBQFDQVSA-N 0 1 286.444 4.357 20 0 CIADMN Cc1ccc2nc(CN[C@@H](C)c3ccc(Cl)cc3)cn2c1 ZINC000006996544 170260912 /nfs/dbraw/zinc/26/09/12/170260912.db2.gz HTNDNJIAZMJGJN-ZDUSSCGKSA-N 0 1 299.805 4.147 20 0 CIADMN C[C@@H](N[C@H](C)c1ccccn1)c1ccc(Cl)cc1 ZINC000020121929 171001858 /nfs/dbraw/zinc/00/18/58/171001858.db2.gz GRUOPZWKKXCHCE-VXGBXAGGSA-N 0 1 260.768 4.147 20 0 CIADMN C[C@@H](N[C@@H](C)c1ccc(F)c(Cl)c1)c1ccccn1 ZINC000020123804 171004871 /nfs/dbraw/zinc/00/48/71/171004871.db2.gz NPWOOYNCMDSNFM-WDEREUQCSA-N 0 1 278.758 4.286 20 0 CIADMN Cc1ccc([C@H](C)N[C@@H](C)c2ccccn2)cc1C ZINC000020123708 171004990 /nfs/dbraw/zinc/00/49/90/171004990.db2.gz XOSVLCBWYQKROS-GJZGRUSLSA-N 0 1 254.377 4.110 20 0 CIADMN COc1cccc(CN[C@H](C)c2ccccc2Cl)c1 ZINC000020123979 171005643 /nfs/dbraw/zinc/00/56/43/171005643.db2.gz DXSCSQXBCQGJNT-GFCCVEGCSA-N 0 1 275.779 4.199 20 0 CIADMN C[C@@H](N[C@@H](C)c1cccc(O)c1)c1ccccc1Cl ZINC000020124091 171005703 /nfs/dbraw/zinc/00/57/03/171005703.db2.gz SRNJGLJYJUNTQT-NWDGAFQWSA-N 0 1 275.779 4.457 20 0 CIADMN C[C@@H](N[C@@H](C)c1ccccc1Cl)c1cccc(O)c1 ZINC000020124088 171005830 /nfs/dbraw/zinc/00/58/30/171005830.db2.gz SRNJGLJYJUNTQT-NEPJUHHUSA-N 0 1 275.779 4.457 20 0 CIADMN C[C@H](NCc1ccc(Cl)c(Cl)c1)c1cccnc1 ZINC000020127448 171013215 /nfs/dbraw/zinc/01/32/15/171013215.db2.gz OPMPDOPXUMLGHX-JTQLQIEISA-N 0 1 281.186 4.239 20 0 CIADMN C[C@@H](N[C@@H](C)c1cccnc1)c1cc2ccccc2o1 ZINC000020127864 171014151 /nfs/dbraw/zinc/01/41/51/171014151.db2.gz VBSXEAKTKPRQEO-QWHCGFSZSA-N 0 1 266.344 4.240 20 0 CIADMN C[C@@H](N[C@H]1CCOc2ccccc21)c1cccc(F)c1 ZINC000020148017 171035195 /nfs/dbraw/zinc/03/51/95/171035195.db2.gz LVHXZYBOOPXFOG-WBMJQRKESA-N 0 1 271.335 4.000 20 0 CIADMN C[C@H](N[C@@H](C)c1ccc(F)cc1F)c1cccs1 ZINC000020148415 171036209 /nfs/dbraw/zinc/03/62/09/171036209.db2.gz DEKHGPGSSLIKHQ-UWVGGRQHSA-N 0 1 267.344 4.438 20 0 CIADMN c1cc2c(o1)CCC[C@@H]2N[C@@H]1CCSc2ccccc21 ZINC000020204558 171069001 /nfs/dbraw/zinc/06/90/01/171069001.db2.gz KQGQGTRDTFZWGN-LSDHHAIUSA-N 0 1 285.412 4.484 20 0 CIADMN C[C@@H](N[C@@H]1CCCc2occc21)c1ccc(F)cc1 ZINC000020204347 171069337 /nfs/dbraw/zinc/06/93/37/171069337.db2.gz CZNGCVWEPGEGAK-IAQYHMDHSA-N 0 1 259.324 4.147 20 0 CIADMN C[C@@H](N[C@@H]1CCCc2occc21)c1cccc(F)c1 ZINC000020204783 171070385 /nfs/dbraw/zinc/07/03/85/171070385.db2.gz PZSSTONBEGDFNW-IAQYHMDHSA-N 0 1 259.324 4.147 20 0 CIADMN Clc1cccc(CN[C@H]2CCCc3occc32)c1 ZINC000020204752 171070730 /nfs/dbraw/zinc/07/07/30/171070730.db2.gz VIMBUZNESHENTC-AWEZNQCLSA-N 0 1 261.752 4.100 20 0 CIADMN Cc1cc([C@@H](C)N[C@@H]2CCCc3occc32)c(C)o1 ZINC000020439491 171203880 /nfs/dbraw/zinc/20/38/80/171203880.db2.gz JZPCLEHKUBJOTK-IAQYHMDHSA-N 0 1 259.349 4.218 20 0 CIADMN CC(C)Cc1ccc([C@@H](C)NCc2ccco2)cc1 ZINC000021958459 171342006 /nfs/dbraw/zinc/34/20/06/171342006.db2.gz JUZOIYRPSNWQBS-CQSZACIVSA-N 0 1 257.377 4.329 20 0 CIADMN Cc1ccc(CN[C@@H](C)c2ccc(F)cc2F)c(C)c1 ZINC000034993111 171920425 /nfs/dbraw/zinc/92/04/25/171920425.db2.gz QILFNNUTMGWEMM-ZDUSSCGKSA-N 0 1 275.342 4.432 20 0 CIADMN COc1ccc2ccccc2c1CN[C@@H](C)c1ccco1 ZINC000035136863 172003929 /nfs/dbraw/zinc/00/39/29/172003929.db2.gz GVUUIOXDKZJVJJ-ZDUSSCGKSA-N 0 1 281.355 4.292 20 0 CIADMN c1csc(CN[C@H](c2ccccc2)c2ccncc2)c1 ZINC000035162061 172022085 /nfs/dbraw/zinc/02/20/85/172022085.db2.gz NAGYMBDPJSUTBS-QGZVFWFLSA-N 0 1 280.396 4.022 20 0 CIADMN COc1ccc(Cl)cc1CNCc1ccc(Cl)cc1 ZINC000035180008 172033778 /nfs/dbraw/zinc/03/37/78/172033778.db2.gz OIZHERBPCTYPSI-UHFFFAOYSA-N 0 1 296.197 4.292 20 0 CIADMN Cc1ccc(CN[C@H](C)c2cc(F)ccc2F)s1 ZINC000035256252 172086050 /nfs/dbraw/zinc/08/60/50/172086050.db2.gz ICRZINXPZYLDOB-SNVBAGLBSA-N 0 1 267.344 4.186 20 0 CIADMN Cc1ccc(CN[C@@H](C)c2cc(F)ccc2F)s1 ZINC000035256251 172086324 /nfs/dbraw/zinc/08/63/24/172086324.db2.gz ICRZINXPZYLDOB-JTQLQIEISA-N 0 1 267.344 4.186 20 0 CIADMN CCN[C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000035539743 172245235 /nfs/dbraw/zinc/24/52/35/172245235.db2.gz ZDSAHAVJCFWYGW-OAHLLOKOSA-N 0 1 263.743 4.178 20 0 CIADMN CCN[C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000035539741 172245299 /nfs/dbraw/zinc/24/52/99/172245299.db2.gz ZDSAHAVJCFWYGW-HNNXBMFYSA-N 0 1 263.743 4.178 20 0 CIADMN CC[C@@H](N[C@H](C)c1ccco1)c1ccc(OC)c(OC)c1 ZINC000035738618 172391799 /nfs/dbraw/zinc/39/17/99/172391799.db2.gz WPCHQJLSLODATN-TZMCWYRMSA-N 0 1 289.375 4.099 20 0 CIADMN C[C@@H](N[C@H]1CCSc2ccccc21)c1ccco1 ZINC000035738897 172392814 /nfs/dbraw/zinc/39/28/14/172392814.db2.gz LORBCELQYNJZEN-YPMHNXCESA-N 0 1 259.374 4.167 20 0 CIADMN CSc1ccc([C@@H](C)N[C@H](C)c2ccco2)cc1 ZINC000035738707 172392888 /nfs/dbraw/zinc/39/28/88/172392888.db2.gz NJBAICRCCVLCLA-VXGBXAGGSA-N 0 1 261.390 4.413 20 0 CIADMN C[C@@H](NCc1cc(Cl)cc(Cl)c1)c1cccnc1 ZINC000037423611 173199415 /nfs/dbraw/zinc/19/94/15/173199415.db2.gz DOQMXXWVLZIGIY-SNVBAGLBSA-N 0 1 281.186 4.239 20 0 CIADMN CCc1ncc(CN[C@@H]2CCSc3ccccc32)s1 ZINC000037924545 173862970 /nfs/dbraw/zinc/86/29/70/173862970.db2.gz IVJKZZZSNIQMIT-CYBMUJFWSA-N 0 1 290.457 4.032 20 0 CIADMN Cc1csc(CN[C@@H]2CCCCc3ccccc32)n1 ZINC000038090716 174103854 /nfs/dbraw/zinc/10/38/54/174103854.db2.gz XSBIZRPFDLKPLK-OAHLLOKOSA-N 0 1 272.417 4.009 20 0 CIADMN CC[C@@H]1CCCCN1Cc1sccc1Br ZINC000043501817 175058632 /nfs/dbraw/zinc/05/86/32/175058632.db2.gz FCOYZTLDVSONNK-SNVBAGLBSA-N 0 1 288.254 4.275 20 0 CIADMN Clc1nc(Sc2ccccc2)sc1CNC1CC1 ZINC000045206321 175328139 /nfs/dbraw/zinc/32/81/39/175328139.db2.gz JIMNMQXMPZNPMR-UHFFFAOYSA-N 0 1 296.848 4.200 20 0 CIADMN CC[C@@H](C)Sc1nc(-c2cc(Cl)ccc2OC)n[nH]1 ZINC000078836999 177396354 /nfs/dbraw/zinc/39/63/54/177396354.db2.gz OPQIODWVJFKZQE-MRVPVSSYSA-N 0 1 297.811 4.024 20 0 CIADMN COc1ccc([C@H](C)N[C@@H](C)c2ccccc2)c(F)c1 ZINC000037185807 260073006 /nfs/dbraw/zinc/07/30/06/260073006.db2.gz QHFSINKZCYQINP-STQMWFEESA-N 0 1 273.351 4.246 20 0 CIADMN COc1cc(CN[C@H](C)c2ccc(C)o2)ccc1Cl ZINC000450722547 262673754 /nfs/dbraw/zinc/67/37/54/262673754.db2.gz COBUCPFKANYWLM-LLVKDONJSA-N 0 1 279.767 4.101 20 0 CIADMN C[C@@H](N[C@H]1CCc2c1cccc2F)c1ccncc1Cl ZINC000335034177 225398150 /nfs/dbraw/zinc/39/81/50/225398150.db2.gz KCEIJQNPLWKPCM-HWPZZCPQSA-N 0 1 290.769 4.212 20 0 CIADMN 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CIADMN CCCNc1ccc(CNCc2ccccc2Cl)cc1 ZINC000193151194 328857500 /nfs/dbraw/zinc/85/75/00/328857500.db2.gz NJQJABXSMIXSBO-UHFFFAOYSA-N 0 1 288.822 4.452 20 0 CIADMN C[C@@H](N[C@@H]1CCc2c1c(F)ccc2F)c1ccccc1 ZINC000507822043 332826553 /nfs/dbraw/zinc/82/65/53/332826553.db2.gz RJETZLDJOQAFAD-BDJLRTHQSA-N 0 1 273.326 4.303 20 0 CIADMN Cc1ccc2oc(CN[C@H](C)c3cncc(F)c3)cc2c1 ZINC000582379596 328976668 /nfs/dbraw/zinc/97/66/68/328976668.db2.gz OSUITXPDOVIJMY-GFCCVEGCSA-N 0 1 284.334 4.126 20 0 CIADMN O=C([O-])CCCC[N@H+]1CCCCC[C@H]1C1CCCCC1 ZINC000378640761 329057610 /nfs/dbraw/zinc/05/76/10/329057610.db2.gz WSJWYOXIYSKWPQ-INIZCTEOSA-N 0 1 281.440 4.066 20 0 CIADMN Cc1ccc([C@@H](C)NCc2nc(-c3ccccc3)c[nH]2)cc1 ZINC000194243445 329074376 /nfs/dbraw/zinc/07/43/76/329074376.db2.gz BXZGLWVMNGUELW-OAHLLOKOSA-N 0 1 291.398 4.236 20 0 CIADMN CCC(CC)[C@H](N[C@H]1CCn2ccnc21)c1ccccc1 ZINC000393520755 329086974 /nfs/dbraw/zinc/08/69/74/329086974.db2.gz STWCCXYADDGEAU-IRXDYDNUSA-N 0 1 283.419 4.095 20 0 CIADMN CC(C)c1cccc(CNCc2cnc(C(C)(C)C)nc2)c1 ZINC000582608795 329115861 /nfs/dbraw/zinc/11/58/61/329115861.db2.gz LLNOJZYUYOFEES-UHFFFAOYSA-N 0 1 297.446 4.187 20 0 CIADMN Cc1cc(CNCc2ccc([C@@H]3C[C@H]3C)o2)cs1 ZINC000394568286 329121581 /nfs/dbraw/zinc/12/15/81/329121581.db2.gz QIRKJBRXQXENJO-QMTHXVAHSA-N 0 1 261.390 4.063 20 0 CIADMN Cc1cc(Cl)cc(CN2CCC(F)(F)[C@H](C)C2)c1 ZINC000582681850 329127891 /nfs/dbraw/zinc/12/78/91/329127891.db2.gz LBUWCNOCTUEVTB-LLVKDONJSA-N 0 1 273.754 4.126 20 0 CIADMN CC[C@@H]1CCCCC[N@H+]1Cc1c(Cl)cccc1C(=O)[O-] ZINC000582729850 329132180 /nfs/dbraw/zinc/13/21/80/329132180.db2.gz IKHYXUMAXCDFPO-GFCCVEGCSA-N 0 1 295.810 4.193 20 0 CIADMN CC[C@H]1CCCCC[N@H+]1Cc1c(Cl)cccc1C(=O)[O-] ZINC000582729855 329132200 /nfs/dbraw/zinc/13/22/00/329132200.db2.gz IKHYXUMAXCDFPO-LBPRGKRZSA-N 0 1 295.810 4.193 20 0 CIADMN CC(C)C[C@H](NCc1cn2ccsc2n1)c1ccccc1 ZINC000177258540 329182471 /nfs/dbraw/zinc/18/24/71/329182471.db2.gz KTHUCJSAGUBFLY-INIZCTEOSA-N 0 1 299.443 4.273 20 0 CIADMN CC1(C)Cc2occc2[C@@H](NCc2ccsc2)C1 ZINC000178024510 329191856 /nfs/dbraw/zinc/19/18/56/329191856.db2.gz HJEHHDIDMWOWGK-ZDUSSCGKSA-N 0 1 261.390 4.144 20 0 CIADMN C[C@H](NCc1cccs1)c1ccc2ccccc2n1 ZINC000178244922 329195119 /nfs/dbraw/zinc/19/51/19/329195119.db2.gz LBLJHNQOGAZKLD-LBPRGKRZSA-N 0 1 268.385 4.147 20 0 CIADMN Cc1ccc(CN[C@@H]2CCCc3ccc(C)cc32)o1 ZINC000179361643 329204622 /nfs/dbraw/zinc/20/46/22/329204622.db2.gz GPZMINDGDGDHQV-QGZVFWFLSA-N 0 1 255.361 4.064 20 0 CIADMN Cc1ncc(CN(C)Cc2c(C)oc3ccccc32)s1 ZINC000179382416 329204838 /nfs/dbraw/zinc/20/48/38/329204838.db2.gz WZZYWAHQOKSXQE-UHFFFAOYSA-N 0 1 286.400 4.138 20 0 CIADMN CC(C)Oc1cccc(CN(Cc2cccnc2)C2CC2)c1 ZINC000180732586 329222523 /nfs/dbraw/zinc/22/25/23/329222523.db2.gz YVWVVBWGSYIVNG-UHFFFAOYSA-N 0 1 296.414 4.033 20 0 CIADMN Cc1cccc(C2=CCN(Cc3cnn(C(C)C)c3)CC2)c1 ZINC000180781183 329222860 /nfs/dbraw/zinc/22/28/60/329222860.db2.gz BXCFLHFTFQUNCJ-UHFFFAOYSA-N 0 1 295.430 4.062 20 0 CIADMN CC[C@@H](N[C@@H](COC)c1ccccc1)c1ccccc1F ZINC000180896675 329223717 /nfs/dbraw/zinc/22/37/17/329223717.db2.gz ADOJTDPEQCRPMS-MSOLQXFVSA-N 0 1 287.378 4.254 20 0 CIADMN CC(C)c1ccc([C@@H]2CCCCN2Cc2cnccn2)cc1 ZINC000583129179 329316597 /nfs/dbraw/zinc/31/65/97/329316597.db2.gz DCHDWEHPTHCFRL-IBGZPJMESA-N 0 1 295.430 4.327 20 0 CIADMN Cc1ccc(CN(Cc2cccc(F)c2)C2CC2)c(C)n1 ZINC000186687030 329347370 /nfs/dbraw/zinc/34/73/70/329347370.db2.gz ZZZXXDCWHYWMKT-UHFFFAOYSA-N 0 1 284.378 4.002 20 0 CIADMN Cc1ccc(CN[C@@H](C)c2ccccc2Cl)c(C)n1 ZINC000187193091 329354286 /nfs/dbraw/zinc/35/42/86/329354286.db2.gz PYUYZJOQUXVWOK-ZDUSSCGKSA-N 0 1 274.795 4.203 20 0 CIADMN CCCc1cccc(CN[C@H](CC)c2c(C)noc2C)c1 ZINC000187341239 329355406 /nfs/dbraw/zinc/35/54/06/329355406.db2.gz BPCJOXMXWHRVIC-QGZVFWFLSA-N 0 1 286.419 4.485 20 0 CIADMN CC[C@@H](NCc1cc(F)ccc1OC)c1ccc(F)cc1 ZINC000187452321 329358083 /nfs/dbraw/zinc/35/80/83/329358083.db2.gz TWLODWCTLRZPTR-MRXNPFEDSA-N 0 1 291.341 4.214 20 0 CIADMN Cc1cc2c(o1)CC(C)(C)C[C@H]2NCc1ccoc1C ZINC000321544377 329372178 /nfs/dbraw/zinc/37/21/78/329372178.db2.gz RBWDDXVRYDOGGT-OAHLLOKOSA-N 0 1 273.376 4.293 20 0 CIADMN Cc1cccc2c1OCC[C@@H]2NCc1ccc(F)cc1C ZINC000188950988 329376126 /nfs/dbraw/zinc/37/61/26/329376126.db2.gz GOVZBUORTNTPFB-KRWDZBQOSA-N 0 1 285.362 4.056 20 0 CIADMN CCOc1ccc(CN[C@H]2CCOc3c(C)cccc32)cc1 ZINC000188950476 329376171 /nfs/dbraw/zinc/37/61/71/329376171.db2.gz MDXXNEQALGJKST-SFHVURJKSA-N 0 1 297.398 4.007 20 0 CIADMN CCC[C@@H](N[C@@H]1CCOc2c(C)cccc21)c1cccnc1 ZINC000189364432 329380029 /nfs/dbraw/zinc/38/00/29/329380029.db2.gz IZYRSOVYUINBMA-QZTJIDSGSA-N 0 1 296.414 4.345 20 0 CIADMN Cc1cccc2c1OCC[C@H]2N[C@@H](C)c1cccc(F)c1 ZINC000189375574 329380298 /nfs/dbraw/zinc/38/02/98/329380298.db2.gz OVZARDLDSVJDTB-SUMWQHHRSA-N 0 1 285.362 4.309 20 0 CIADMN Cc1cccc2c1OCC[C@H]2N[C@@H](C)c1ccc(F)cc1 ZINC000189374528 329380484 /nfs/dbraw/zinc/38/04/84/329380484.db2.gz KGIDGQLWCAQYIA-SUMWQHHRSA-N 0 1 285.362 4.309 20 0 CIADMN Cc1cccc2c1OCC[C@@H]2N[C@@H](C)c1cccc(F)c1 ZINC000189466022 329381047 /nfs/dbraw/zinc/38/10/47/329381047.db2.gz OVZARDLDSVJDTB-GUYCJALGSA-N 0 1 285.362 4.309 20 0 CIADMN Cc1cccc2c1OCC[C@@H]2N[C@@H](C)c1ccc(F)cc1 ZINC000189465286 329381130 /nfs/dbraw/zinc/38/11/30/329381130.db2.gz KGIDGQLWCAQYIA-GUYCJALGSA-N 0 1 285.362 4.309 20 0 CIADMN Clc1ccsc1CNCc1ccc2ncccc2c1 ZINC000192977669 329438039 /nfs/dbraw/zinc/43/80/39/329438039.db2.gz BOWZLEZCUIDJPD-UHFFFAOYSA-N 0 1 288.803 4.240 20 0 CIADMN Clc1ccc(CN[C@H]2CCSc3ccccc32)o1 ZINC000037487141 329550180 /nfs/dbraw/zinc/55/01/80/329550180.db2.gz CPRAFMLDAYGFNN-LBPRGKRZSA-N 0 1 279.792 4.260 20 0 CIADMN CC1(C)Cc2occc2[C@@H](N[C@@H]2CCc3c2cccc3O)C1 ZINC000130366823 329624285 /nfs/dbraw/zinc/62/42/85/329624285.db2.gz UBOZKYKYTCYSNQ-CVEARBPZSA-N 0 1 297.398 4.276 20 0 CIADMN FC(F)Oc1cccc(CN[C@H]2CCCc3occc32)c1 ZINC000195322270 329693089 /nfs/dbraw/zinc/69/30/89/329693089.db2.gz CMEQHQXSZOPHRW-AWEZNQCLSA-N 0 1 293.313 4.048 20 0 CIADMN FC(F)Oc1cccc(CN[C@@H]2CCCc3occc32)c1 ZINC000195322260 329693228 /nfs/dbraw/zinc/69/32/28/329693228.db2.gz CMEQHQXSZOPHRW-CQSZACIVSA-N 0 1 293.313 4.048 20 0 CIADMN Cc1nc(CN[C@H](C)c2ccc(C3CC3)cc2)sc1C ZINC000419340109 329718580 /nfs/dbraw/zinc/71/85/80/329718580.db2.gz MTLZLWBPTXPJFC-GFCCVEGCSA-N 0 1 286.444 4.488 20 0 CIADMN CCCc1nc(C)c(CNCc2cccc(C3CC3)c2)o1 ZINC000421355690 329815609 /nfs/dbraw/zinc/81/56/09/329815609.db2.gz JHLNPAHGXHWKCS-UHFFFAOYSA-N 0 1 284.403 4.103 20 0 CIADMN C[C@@H](NC1CC2(C1)CCCCC2)c1c(F)cncc1F ZINC000421356746 329815754 /nfs/dbraw/zinc/81/57/54/329815754.db2.gz LXJWIMLLFOGDON-LLVKDONJSA-N 0 1 280.362 4.123 20 0 CIADMN CC1CN(Cc2cnn(C3CCCC3)c2-c2ccccc2)C1 ZINC000421375657 329816580 /nfs/dbraw/zinc/81/65/80/329816580.db2.gz DQCLWNTVJHXMMQ-UHFFFAOYSA-N 0 1 295.430 4.117 20 0 CIADMN COc1ccccc1CN[C@@H](CC(F)F)c1ccccc1 ZINC000421379170 329817480 /nfs/dbraw/zinc/81/74/80/329817480.db2.gz WJWXFGCAUYVWON-HNNXBMFYSA-N 0 1 291.341 4.181 20 0 CIADMN COc1ccccc1CN[C@H](CC(F)F)c1ccccc1 ZINC000421379171 329817555 /nfs/dbraw/zinc/81/75/55/329817555.db2.gz WJWXFGCAUYVWON-OAHLLOKOSA-N 0 1 291.341 4.181 20 0 CIADMN Cc1cc(CNCc2cc(Cl)ccc2Cl)cc(C)n1 ZINC000421384738 329818544 /nfs/dbraw/zinc/81/85/44/329818544.db2.gz POBXJHIMAUUUAQ-UHFFFAOYSA-N 0 1 295.213 4.295 20 0 CIADMN CCOc1ccc(CN[C@H](C)c2ccoc2)cc1Cl ZINC000571986104 329935082 /nfs/dbraw/zinc/93/50/82/329935082.db2.gz BWNDIANPIWPSHD-LLVKDONJSA-N 0 1 279.767 4.183 20 0 CIADMN CCCCc1ccc([C@H](C)NCc2cnccc2OC)cc1 ZINC000572189143 329953527 /nfs/dbraw/zinc/95/35/27/329953527.db2.gz CHLHFJLMZPBHMI-HNNXBMFYSA-N 0 1 298.430 4.284 20 0 CIADMN CCOc1ccccc1[C@@H](C)NCc1ccc(C)c(OC)c1 ZINC000161810350 329956146 /nfs/dbraw/zinc/95/61/46/329956146.db2.gz PQJWIYSGKQFAMY-OAHLLOKOSA-N 0 1 299.414 4.253 20 0 CIADMN Cc1cc(Cl)ccc1CN[C@@H](C)c1ccncc1F ZINC000509950082 332886411 /nfs/dbraw/zinc/88/64/11/332886411.db2.gz VACNGPMYJLWGJE-NSHDSACASA-N 0 1 278.758 4.033 20 0 CIADMN Cc1csc([C@@H](C)N[C@@H]2CCc3ccc(C)cc32)n1 ZINC000162385761 330008048 /nfs/dbraw/zinc/00/80/48/330008048.db2.gz HPDWMLNYNXMWBL-IUODEOHRSA-N 0 1 272.417 4.098 20 0 CIADMN CC(C)C[C@H]1CCCCC[N@H+]1Cc1cccc(C(=O)[O-])c1 ZINC000263487741 330057665 /nfs/dbraw/zinc/05/76/65/330057665.db2.gz PYTUQKSFROQLMB-QGZVFWFLSA-N 0 1 289.419 4.176 20 0 CIADMN CC(C)C[C@H]1CCCCC[N@H+]1Cc1ccc(C(=O)[O-])cc1 ZINC000263563239 330059699 /nfs/dbraw/zinc/05/96/99/330059699.db2.gz DFWKOUVIHXFWBS-QGZVFWFLSA-N 0 1 289.419 4.176 20 0 CIADMN Fc1ccc(/C=C\CN2CCc3ccsc3C2)cc1F ZINC000572408332 330064813 /nfs/dbraw/zinc/06/48/13/330064813.db2.gz SADXJNYPNNFRMJ-UPHRSURJSA-N 0 1 291.366 4.098 20 0 CIADMN C[C@H](N[C@H]1CCCc2ccccc21)c1ccncc1Cl ZINC000421804971 330081126 /nfs/dbraw/zinc/08/11/26/330081126.db2.gz VHNCWCYIPZSQGX-SJCJKPOMSA-N 0 1 286.806 4.463 20 0 CIADMN C[C@H](N[C@@H]1CCCc2ccccc21)c1ccncc1Cl ZINC000421804973 330081241 /nfs/dbraw/zinc/08/12/41/330081241.db2.gz VHNCWCYIPZSQGX-YVEFUNNKSA-N 0 1 286.806 4.463 20 0 CIADMN CCN(Cc1cnn(C)c1)Cc1ccc(C2CCCC2)cc1 ZINC000572439639 330082798 /nfs/dbraw/zinc/08/27/98/330082798.db2.gz FJBIFMRPNBGSGI-UHFFFAOYSA-N 0 1 297.446 4.100 20 0 CIADMN Cc1ccc2c(c1)CC[C@@H]2N[C@@H](C)c1ccncc1Cl ZINC000421826688 330083809 /nfs/dbraw/zinc/08/38/09/330083809.db2.gz UJMJZIIMCGOGEI-SJCJKPOMSA-N 0 1 286.806 4.382 20 0 CIADMN CCc1ccccc1CN[C@H](C)c1ccncc1Cl ZINC000421827918 330084098 /nfs/dbraw/zinc/08/40/98/330084098.db2.gz ACHZACUNYHQRCP-GFCCVEGCSA-N 0 1 274.795 4.148 20 0 CIADMN COc1cc(Cl)ccc1[C@@H](C)NCc1cccs1 ZINC000421811878 330085224 /nfs/dbraw/zinc/08/52/24/330085224.db2.gz ANBWHXXUSIQFGG-SNVBAGLBSA-N 0 1 281.808 4.261 20 0 CIADMN COc1cc(Cl)ccc1[C@H](C)NCc1ccsc1 ZINC000421821487 330086981 /nfs/dbraw/zinc/08/69/81/330086981.db2.gz RRMQZZHIDIFAPK-JTQLQIEISA-N 0 1 281.808 4.261 20 0 CIADMN C[C@H](NCc1ccc(C2CC2)cc1)c1ccncc1Cl ZINC000421843308 330094317 /nfs/dbraw/zinc/09/43/17/330094317.db2.gz QDYMMIKCGFPCAV-LBPRGKRZSA-N 0 1 286.806 4.463 20 0 CIADMN 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CC[C@H](CN[C@@H](C)c1cc(Cl)sc1Cl)OC ZINC000309369104 260155285 /nfs/dbraw/zinc/15/52/85/260155285.db2.gz PVFXKTLYZUGOHW-JGVFFNPUSA-N 0 1 282.236 4.131 20 0 CIADMN CC(C)(C)[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000079349558 260175668 /nfs/dbraw/zinc/17/56/68/260175668.db2.gz MQOGADGDIOOJRB-MRXNPFEDSA-N 0 1 289.419 4.033 20 0 CIADMN CC[C@H](N[C@H]1CCCc2ccccc21)c1nccs1 ZINC000080259058 260178820 /nfs/dbraw/zinc/17/88/20/260178820.db2.gz DPRURPLJJOWNAL-GJZGRUSLSA-N 0 1 272.417 4.261 20 0 CIADMN CC[C@H](N[C@@H]1CCCc2ccccc21)c1nccs1 ZINC000080259048 260178847 /nfs/dbraw/zinc/17/88/47/260178847.db2.gz DPRURPLJJOWNAL-LSDHHAIUSA-N 0 1 272.417 4.261 20 0 CIADMN C[C@H](NCc1cccc2ccccc21)c1nccs1 ZINC000080265238 260179179 /nfs/dbraw/zinc/17/91/79/260179179.db2.gz UYOIUTOHKVKCOW-LBPRGKRZSA-N 0 1 268.385 4.147 20 0 CIADMN C[C@@H](NCc1cc(Cl)sc1Cl)[C@H]1CCCCO1 ZINC000312627626 260185280 /nfs/dbraw/zinc/18/52/80/260185280.db2.gz PPWNRBGORVCYIH-PSASIEDQSA-N 0 1 294.247 4.102 20 0 CIADMN CCC(CC)[C@H](NCc1cc(C)no1)c1ccccc1 ZINC000312669474 260190095 /nfs/dbraw/zinc/19/00/95/260190095.db2.gz LOHHRPDFRGWMNC-KRWDZBQOSA-N 0 1 272.392 4.250 20 0 CIADMN COC[C@@H](N[C@@H](C)c1cccc(Cl)c1)c1ccccc1 ZINC000089668378 260192386 /nfs/dbraw/zinc/19/23/86/260192386.db2.gz JNSAGQXUBMIAHK-SUMWQHHRSA-N 0 1 289.806 4.378 20 0 CIADMN Cc1ccoc1CNCc1ccc(Cl)c2cccnc12 ZINC000312716050 260193648 /nfs/dbraw/zinc/19/36/48/260193648.db2.gz QEPCEYRQRPDZSQ-UHFFFAOYSA-N 0 1 286.762 4.079 20 0 CIADMN CCCC1CCC([N@@H+](C)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000086724963 260209535 /nfs/dbraw/zinc/20/95/35/260209535.db2.gz IBRHYWMVPBZHEO-UHFFFAOYSA-N 0 1 289.419 4.176 20 0 CIADMN COC[C@H](N[C@H]1CCSc2ccccc21)c1ccccc1 ZINC000089667792 260237027 /nfs/dbraw/zinc/23/70/27/260237027.db2.gz NBUAAUWNJWZTRL-IRXDYDNUSA-N 0 1 299.439 4.201 20 0 CIADMN COC[C@H](N[C@@H](C)c1cc(C)ccc1OC)c1ccccc1 ZINC000089668633 260237719 /nfs/dbraw/zinc/23/77/19/260237719.db2.gz FTYOHNSPUZGKGQ-YJBOKZPZSA-N 0 1 299.414 4.042 20 0 CIADMN CCc1cnc(CN[C@@H](c2ccc(C)cc2)C2CC2)s1 ZINC000091349182 260265582 /nfs/dbraw/zinc/26/55/82/260265582.db2.gz XOAVOUFQIYFCFF-KRWDZBQOSA-N 0 1 286.444 4.255 20 0 CIADMN CC[C@H](N[C@H](C)c1ccc(F)cn1)c1ccc(OC)cc1 ZINC000092195953 260267512 /nfs/dbraw/zinc/26/75/12/260267512.db2.gz XFMYBDDHZKVPMD-WBMJQRKESA-N 0 1 288.366 4.031 20 0 CIADMN C[C@@H](NCc1ccc(C(F)(F)F)cc1)c1ccc(F)cn1 ZINC000092196342 260268599 /nfs/dbraw/zinc/26/85/99/260268599.db2.gz CHLXDNNTPQBUNK-SNVBAGLBSA-N 0 1 298.283 4.090 20 0 CIADMN C[C@@H](N[C@H](C)c1ccc(F)cn1)c1cccc(Cl)c1 ZINC000092195279 260268681 /nfs/dbraw/zinc/26/86/81/260268681.db2.gz RDCNABKBWIHLSQ-GHMZBOCLSA-N 0 1 278.758 4.286 20 0 CIADMN C[C@@H](N[C@@H](C)c1ccc(F)cn1)c1ccc(Cl)cc1 ZINC000092195217 260268766 /nfs/dbraw/zinc/26/87/66/260268766.db2.gz ODELTEGEJAWVQN-MNOVXSKESA-N 0 1 278.758 4.286 20 0 CIADMN Cc1cc(CN[C@@H]2CCCOc3cc(F)ccc32)cs1 ZINC000449249744 260314091 /nfs/dbraw/zinc/31/40/91/260314091.db2.gz JZEKTEFMRSYRPP-OAHLLOKOSA-N 0 1 291.391 4.199 20 0 CIADMN CC1(C)CC[C@H]1NCc1ncc(-c2cccc(Cl)c2)o1 ZINC000518211203 260356694 /nfs/dbraw/zinc/35/66/94/260356694.db2.gz DBZLVWRJWVVONC-CQSZACIVSA-N 0 1 290.794 4.273 20 0 CIADMN Cc1cccc2c1CC[C@H]2NCc1ccc(Cl)o1 ZINC000518275423 260367202 /nfs/dbraw/zinc/36/72/02/260367202.db2.gz CTWJRCUXDUYPSB-CQSZACIVSA-N 0 1 261.752 4.019 20 0 CIADMN C[C@@H](N[C@@H](C)c1cncs1)c1ccc2c(c1)CCCC2 ZINC000128556938 260375958 /nfs/dbraw/zinc/37/59/58/260375958.db2.gz TUUMDKAYAZDNHA-OLZOCXBDSA-N 0 1 286.444 4.434 20 0 CIADMN C[C@@H](NCc1ccc(C(F)(F)F)cc1)c1cncs1 ZINC000128721930 260377683 /nfs/dbraw/zinc/37/76/83/260377683.db2.gz LXRGQLCVTLVABR-SECBINFHSA-N 0 1 286.322 4.013 20 0 CIADMN CCN(Cc1ccccc1)[C@@H](C)c1nc2ccccc2o1 ZINC000180897135 260527803 /nfs/dbraw/zinc/52/78/03/260527803.db2.gz VLBMSILODIPAAK-AWEZNQCLSA-N 0 1 280.371 4.411 20 0 CIADMN CC[C@@H](NCc1ccc(OC)cc1)c1ccccc1F ZINC000168743864 260908002 /nfs/dbraw/zinc/90/80/02/260908002.db2.gz WBPLPEQHURJLGC-QGZVFWFLSA-N 0 1 273.351 4.075 20 0 CIADMN COc1ccc2c(c1)[C@H](NCc1ccccc1Cl)CC2 ZINC000092835331 261058617 /nfs/dbraw/zinc/05/86/17/261058617.db2.gz CFDKGAGCEWGZER-QGZVFWFLSA-N 0 1 287.790 4.126 20 0 CIADMN C[C@H](N[C@H]1CCCc2occc21)c1cc(F)c(F)c(F)c1 ZINC000152251731 261062060 /nfs/dbraw/zinc/06/20/60/261062060.db2.gz GDYBQJYQLOHZAW-XPTSAGLGSA-N 0 1 295.304 4.425 20 0 CIADMN CSc1ccc([C@H](C)N[C@H](C)c2ccccn2)cc1F ZINC000152352709 261063399 /nfs/dbraw/zinc/06/33/99/261063399.db2.gz GKILRHRSRHMMRI-NWDGAFQWSA-N 0 1 290.407 4.354 20 0 CIADMN Cc1ncc([C@H](C)N[C@H](C)c2ccc(Cl)cc2)c(C)n1 ZINC000152551469 261065995 /nfs/dbraw/zinc/06/59/95/261065995.db2.gz YUXNFEZYYOBCOV-MNOVXSKESA-N 0 1 289.810 4.159 20 0 CIADMN CC[C@](C)(NCc1ccc(C)c(C)c1)c1nccs1 ZINC000152621582 261066649 /nfs/dbraw/zinc/06/66/49/261066649.db2.gz BXSZXKWRXGFYFN-INIZCTEOSA-N 0 1 274.433 4.175 20 0 CIADMN C[C@H](N[C@H]1CCSc2c(F)cccc21)c1cncs1 ZINC000153279887 261075825 /nfs/dbraw/zinc/07/58/25/261075825.db2.gz FNPFECMMIBCNNA-CABZTGNLSA-N 0 1 294.420 4.170 20 0 CIADMN C[C@H](N[C@@H]1CCSc2c(F)cccc21)c1cncs1 ZINC000153279670 261075877 /nfs/dbraw/zinc/07/58/77/261075877.db2.gz FNPFECMMIBCNNA-JOYOIKCWSA-N 0 1 294.420 4.170 20 0 CIADMN Cc1noc(C)c1CN[C@@H](C)c1sc(C(C)C)nc1C ZINC000153920536 261084898 /nfs/dbraw/zinc/08/48/98/261084898.db2.gz MZCIPWMBILEAJE-JTQLQIEISA-N 0 1 293.436 4.031 20 0 CIADMN CCc1cnc(CN[C@H]2C[C@@H](C)c3c2cccc3C)s1 ZINC000154053198 261087386 /nfs/dbraw/zinc/08/73/86/261087386.db2.gz ATMRJZPYCYEUCB-DOMZBBRYSA-N 0 1 286.444 4.352 20 0 CIADMN CCCOc1ncccc1CN[C@@H](C)c1sccc1C ZINC000154705359 261094088 /nfs/dbraw/zinc/09/40/88/261094088.db2.gz CSSNWOTWUILRRS-ZDUSSCGKSA-N 0 1 290.432 4.091 20 0 CIADMN CSCC[C@H](C)N(C)Cc1ncc(C(C)(C)C)s1 ZINC000448331372 261114564 /nfs/dbraw/zinc/11/45/64/261114564.db2.gz IJEZQWUJXHJORL-NSHDSACASA-N 0 1 286.510 4.014 20 0 CIADMN CC[C@H](N[C@@H](COC)c1ccc(C)o1)c1ccccc1 ZINC000156400270 261122132 /nfs/dbraw/zinc/12/21/32/261122132.db2.gz LDNRMPNHULUYOG-HOTGVXAUSA-N 0 1 273.376 4.016 20 0 CIADMN CC1(C)C[C@@H](NCc2cccs2)c2ccc(F)cc2O1 ZINC000156513657 261124466 /nfs/dbraw/zinc/12/44/66/261124466.db2.gz YRDSFUNYLKMMHM-CQSZACIVSA-N 0 1 291.391 4.279 20 0 CIADMN C[C@H]1CC2(CCC2)CN1Cc1ncc(C(C)(C)C)s1 ZINC000448354293 261125631 /nfs/dbraw/zinc/12/56/31/261125631.db2.gz JWXZOSDUMZNLBK-LBPRGKRZSA-N 0 1 278.465 4.205 20 0 CIADMN CC[C@H](NCc1ccncc1F)c1ccc(Cl)cc1 ZINC000449070895 261147623 /nfs/dbraw/zinc/14/76/23/261147623.db2.gz FTVXZLFHUJQPPE-HNNXBMFYSA-N 0 1 278.758 4.115 20 0 CIADMN COC[C@H](N[C@H](C)c1ccc(F)c(F)c1)c1ccccc1 ZINC000173413556 261162604 /nfs/dbraw/zinc/16/26/04/261162604.db2.gz MWCYSSBFUWZQDA-PXAZEXFGSA-N 0 1 291.341 4.003 20 0 CIADMN C[C@@H](NCc1ccn(C)c1)c1cc(Cl)ccc1Cl ZINC000158578089 261167161 /nfs/dbraw/zinc/16/71/61/261167161.db2.gz WFJOYKJQOPVUTH-SNVBAGLBSA-N 0 1 283.202 4.183 20 0 CIADMN c1cc(-c2nc(CN3CCC[C@H]4CCC[C@@H]43)cs2)co1 ZINC000173814607 261171651 /nfs/dbraw/zinc/17/16/51/261171651.db2.gz RSAIQZSCEDQRRO-DOMZBBRYSA-N 0 1 288.416 4.168 20 0 CIADMN C[C@@H](N[C@@H](C)c1ccccn1)c1cccc(N2CCCC2)c1 ZINC000159351867 261184245 /nfs/dbraw/zinc/18/42/45/261184245.db2.gz IVJQATKWIHIFCH-CVEARBPZSA-N 0 1 295.430 4.094 20 0 CIADMN CC(C)(C)[C@H]1CCCN1Cc1csc(-c2ccco2)n1 ZINC000514083076 261198301 /nfs/dbraw/zinc/19/83/01/261198301.db2.gz JNOPSEJHVQEZCV-CQSZACIVSA-N 0 1 290.432 4.414 20 0 CIADMN CCc1noc(C)c1CN1CCC[C@H]1c1ccc(F)cc1 ZINC000162695026 261291452 /nfs/dbraw/zinc/29/14/52/261291452.db2.gz IDMINCXVDJUGPL-KRWDZBQOSA-N 0 1 288.366 4.022 20 0 CIADMN Cc1ccccc1[C@H](N[C@@H](C)c1cnccn1)C(C)(C)C ZINC000163456846 261317057 /nfs/dbraw/zinc/31/70/57/261317057.db2.gz IWTAKYXAUYFPFW-YOEHRIQHSA-N 0 1 283.419 4.223 20 0 CIADMN Fc1ccc(CN[C@H]2CCOc3ccccc32)cc1Cl ZINC000053150001 261318156 /nfs/dbraw/zinc/31/81/56/261318156.db2.gz DIVNLNBSGIURBC-HNNXBMFYSA-N 0 1 291.753 4.093 20 0 CIADMN CC[C@@H](N[C@H](C)c1ccc(OC)cc1F)c1ccncc1 ZINC000163634074 261323317 /nfs/dbraw/zinc/32/33/17/261323317.db2.gz PQPNPLOHKACQLA-SJKOYZFVSA-N 0 1 288.366 4.031 20 0 CIADMN CC[C@H](N[C@@H](C)c1cc(F)ccc1F)c1ccncc1 ZINC000163638321 261323660 /nfs/dbraw/zinc/32/36/60/261323660.db2.gz SYPLEVRMXPSPDD-ZBEGNZNMSA-N 0 1 276.330 4.162 20 0 CIADMN C[C@@H](N[C@@H](C)c1cnn(C)c1)c1cc(Cl)cc(Cl)c1 ZINC000163937203 261334461 /nfs/dbraw/zinc/33/44/61/261334461.db2.gz IDWGQVSERMHRIP-ZJUUUORDSA-N 0 1 298.217 4.139 20 0 CIADMN C[C@H](N(C)Cc1nc2ccccc2n1C(F)F)C1(C)CC1 ZINC000177247799 261342733 /nfs/dbraw/zinc/34/27/33/261342733.db2.gz WEDMRFITMHSYIX-NSHDSACASA-N 0 1 293.361 4.052 20 0 CIADMN C[C@H](N(C)Cc1ncc(-c2cccc(F)c2)o1)C1(C)CC1 ZINC000177249703 261343200 /nfs/dbraw/zinc/34/32/00/261343200.db2.gz SPISZSJDQXQGTP-LBPRGKRZSA-N 0 1 288.366 4.101 20 0 CIADMN CCCC[C@@H](N[C@H](C)c1cnccn1)c1ccc(OC)cc1 ZINC000165037894 261364257 /nfs/dbraw/zinc/36/42/57/261364257.db2.gz DSIMCIUCTMEBOH-RHSMWYFYSA-N 0 1 299.418 4.067 20 0 CIADMN Cc1ccc(CN[C@H](C)c2ccc(F)c(F)c2)cc1F ZINC000106409925 261371228 /nfs/dbraw/zinc/37/12/28/261371228.db2.gz RQURIRJXXZJKGK-LLVKDONJSA-N 0 1 279.305 4.263 20 0 CIADMN Cc1ccc([C@H](C)N[C@@H](C)c2cccnc2Cl)cc1 ZINC000165898395 261379916 /nfs/dbraw/zinc/37/99/16/261379916.db2.gz WIALZFDIALNXPT-STQMWFEESA-N 0 1 274.795 4.455 20 0 CIADMN CCc1noc(CC)c1CN[C@H](CC)c1ccc(C)cc1 ZINC000166936559 261395513 /nfs/dbraw/zinc/39/55/13/261395513.db2.gz BWWDHADCBUCVTF-MRXNPFEDSA-N 0 1 286.419 4.349 20 0 CIADMN CCc1noc(CC)c1CN[C@@H](C)c1cccc(C)c1C ZINC000166940515 261395517 /nfs/dbraw/zinc/39/55/17/261395517.db2.gz GMTCUXNFKUGLCW-AWEZNQCLSA-N 0 1 286.419 4.267 20 0 CIADMN CCc1noc(CC)c1CN[C@H](C)c1cccc(C)c1C ZINC000166940611 261395870 /nfs/dbraw/zinc/39/58/70/261395870.db2.gz GMTCUXNFKUGLCW-CQSZACIVSA-N 0 1 286.419 4.267 20 0 CIADMN Cc1ccc(CN[C@H](C)c2cnc3ccsc3c2)nc1C ZINC000313958076 261546079 /nfs/dbraw/zinc/54/60/79/261546079.db2.gz QUQBSJUIZYWGQV-CYBMUJFWSA-N 0 1 297.427 4.159 20 0 CIADMN CC(C)C[C@@H](NCc1nccn1C(C)C)c1ccccc1 ZINC000181795717 261911759 /nfs/dbraw/zinc/91/17/59/261911759.db2.gz ZRZFFKNLLFGTDP-QGZVFWFLSA-N 0 1 285.435 4.341 20 0 CIADMN 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/nfs/dbraw/zinc/56/25/97/331562597.db2.gz RKMXQIBPNGPSED-UHFFFAOYSA-N 0 1 281.355 4.040 20 0 CIADMN COc1ccc2c(c1)C(C)(C)C[C@H]2N[C@@H](C)c1ccccn1 ZINC000474058193 331566565 /nfs/dbraw/zinc/56/65/65/331566565.db2.gz YLNUYCSZYXHWHX-SCLBCKFNSA-N 0 1 296.414 4.163 20 0 CIADMN CC(C)[C@H]1CCC[C@H](NCc2nc(-c3ccccc3)no2)C1 ZINC000474940772 331605648 /nfs/dbraw/zinc/60/56/48/331605648.db2.gz HUWSABYTWMNCDW-HOTGVXAUSA-N 0 1 299.418 4.041 20 0 CIADMN Cc1cccc(NC[C@@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000475032753 331610092 /nfs/dbraw/zinc/61/00/92/331610092.db2.gz HRTRSPMDVSDMKI-NEPJUHHUSA-N 0 1 272.314 4.171 20 0 CIADMN CCc1cccc(F)c1CN[C@@H]1CCOc2c(C)cccc21 ZINC000475199431 331617734 /nfs/dbraw/zinc/61/77/34/331617734.db2.gz VBLGMOIMXHYWTL-GOSISDBHSA-N 0 1 299.389 4.310 20 0 CIADMN CCc1ccc([C@@H](C)N[C@@H](C)c2ccncc2F)s1 ZINC000511029150 332924784 /nfs/dbraw/zinc/92/47/84/332924784.db2.gz LZHOVAXRTIFWEU-WDEREUQCSA-N 0 1 278.396 4.256 20 0 CIADMN CC(C)c1nc([C@H](C)N[C@H](CO)CCC(C)(C)C)cs1 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CCC[N@@H+](CCCCC(=O)[O-])[C@@H](CC)c1ccccc1 ZINC000262224813 521651878 /nfs/dbraw/zinc/65/18/78/521651878.db2.gz LCZZTHURJHGMFI-INIZCTEOSA-N 0 1 277.408 4.105 20 0 CIADMN CCCN(Cc1cocn1)[C@@H](CC)c1ccccc1 ZINC000278164890 521692878 /nfs/dbraw/zinc/69/28/78/521692878.db2.gz OTVRQIMCLRZCGJ-INIZCTEOSA-N 0 1 258.365 4.038 20 0 CIADMN CC[C@H](C)c1ccc([C@@H](NCc2ncc[nH]2)C(C)C)cc1 ZINC000067666967 522040934 /nfs/dbraw/zinc/04/09/34/522040934.db2.gz NDPWOPVURYSLBX-KSSFIOAISA-N 0 1 285.435 4.410 20 0 CIADMN CC[C@H](C)c1nc([C@H](C)N[C@@H](CC)c2ccccc2)n[nH]1 ZINC000277060802 522055308 /nfs/dbraw/zinc/05/53/08/522055308.db2.gz DFQQZRXQYGUYLP-YDHLFZDLSA-N 0 1 286.423 4.120 20 0 CIADMN CCc1nc(C)c(CN[C@H]2CCCc3ccc(C)cc32)o1 ZINC000291928593 522211203 /nfs/dbraw/zinc/21/12/03/522211203.db2.gz ONIBEKWLFCFBMK-INIZCTEOSA-N 0 1 284.403 4.021 20 0 CIADMN CCc1nc(C)c(CN[C@H]2C[C@@H](C)c3c2cccc3C)o1 ZINC000291946676 522211784 /nfs/dbraw/zinc/21/17/84/522211784.db2.gz QKCDQWZTPSZACX-DOMZBBRYSA-N 0 1 284.403 4.192 20 0 CIADMN CCc1nc(C)c(CN[C@H]2CCC(C)(C)c3ccccc32)o1 ZINC000291863774 522212507 /nfs/dbraw/zinc/21/25/07/522212507.db2.gz HTNAXXFVZJJKOW-INIZCTEOSA-N 0 1 298.430 4.448 20 0 CIADMN COc1cc(CN(C)[C@@H](C)c2cc3ccccc3o2)ccn1 ZINC000339862612 522353968 /nfs/dbraw/zinc/35/39/68/522353968.db2.gz PBLUTWAJCOFAMD-ZDUSSCGKSA-N 0 1 296.370 4.029 20 0 CIADMN COC[C@@H](NCc1cccc(C(F)F)c1)c1ccccc1 ZINC000279764536 522366115 /nfs/dbraw/zinc/36/61/15/522366115.db2.gz RWORLMGGTCHSTP-MRXNPFEDSA-N 0 1 291.341 4.102 20 0 CIADMN CC[C@H](NCc1cc(F)ccc1F)c1cccs1 ZINC000042342416 522642716 /nfs/dbraw/zinc/64/27/16/522642716.db2.gz IYESRLTVVMMKPZ-ZDUSSCGKSA-N 0 1 267.344 4.267 20 0 CIADMN CC[C@H](NCc1ccc(C(F)(F)F)cn1)c1ccccc1 ZINC000277805788 522647296 /nfs/dbraw/zinc/64/72/96/522647296.db2.gz UNAQFFNKHKIVMO-HNNXBMFYSA-N 0 1 294.320 4.341 20 0 CIADMN CC[C@H](NCc1ccc(OC)nc1)c1ccc(Cl)s1 ZINC000126473715 522647976 /nfs/dbraw/zinc/64/79/76/522647976.db2.gz ZVGQBSCQTIOQJF-NSHDSACASA-N 0 1 296.823 4.046 20 0 CIADMN CC[C@H](NCc1cncc(F)c1)c1ccc(Cl)cc1 ZINC000275161253 522661752 /nfs/dbraw/zinc/66/17/52/522661752.db2.gz IZTBDRUNMBLFOV-HNNXBMFYSA-N 0 1 278.758 4.115 20 0 CIADMN CC[C@H](NCc1cn2cc(C)ccc2n1)c1cccc(F)c1 ZINC000275910674 522662157 /nfs/dbraw/zinc/66/21/57/522662157.db2.gz UHJACHZBPRKBSZ-KRWDZBQOSA-N 0 1 297.377 4.023 20 0 CIADMN CC[C@H](NCc1cncs1)c1ccc(Cl)cc1 ZINC000054770734 522668259 /nfs/dbraw/zinc/66/82/59/522668259.db2.gz WPNLOVBJVKEPHO-ZDUSSCGKSA-N 0 1 266.797 4.037 20 0 CIADMN CC[C@H](N[C@@H](C)c1nccs1)c1cccs1 ZINC000070732278 522703859 /nfs/dbraw/zinc/70/38/59/522703859.db2.gz OALSGOSYWIEKKG-UWVGGRQHSA-N 0 1 252.408 4.007 20 0 CIADMN Cc1cnc([C@H](C)Nc2ccnc3cc(F)ccc32)s1 ZINC000301592123 534660043 /nfs/dbraw/zinc/66/00/43/534660043.db2.gz XUECFEWXABQUTF-JTQLQIEISA-N 0 1 287.363 4.312 20 0 CIADMN CC[C@@H](N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1)c1ccccc1 ZINC000277060799 522918107 /nfs/dbraw/zinc/91/81/07/522918107.db2.gz DFQQZRXQYGUYLP-KCQAQPDRSA-N 0 1 286.423 4.120 20 0 CIADMN CC[C@H](c1ccccc1)[N@@H+](CCCCC(=O)[O-])CC(C)C ZINC000262198781 522943767 /nfs/dbraw/zinc/94/37/67/522943767.db2.gz GYKMUKQJXNHFSU-QGZVFWFLSA-N 0 1 291.435 4.351 20 0 CIADMN CC[C@@](C)(NCc1cccc2cc[nH]c21)c1nc(C)cs1 ZINC000237063422 523658293 /nfs/dbraw/zinc/65/82/93/523658293.db2.gz CTEANNOXVILVHG-QGZVFWFLSA-N 0 1 299.443 4.348 20 0 CIADMN COc1ccc(C)cc1[C@H](C)N[C@H](C)c1ccsc1 ZINC000050341210 523859701 /nfs/dbraw/zinc/85/97/01/523859701.db2.gz HNXIVZJLWWSIAU-OLZOCXBDSA-N 0 1 275.417 4.477 20 0 CIADMN CCc1ccc(CN[C@H]2CCCc3sccc32)o1 ZINC000061360222 523947989 /nfs/dbraw/zinc/94/79/89/523947989.db2.gz WNWFDVFXWAZEJQ-AWEZNQCLSA-N 0 1 261.390 4.071 20 0 CIADMN CCc1ccc([C@@H](C)NCc2oc(CC)nc2C)s1 ZINC000291853528 524025598 /nfs/dbraw/zinc/02/55/98/524025598.db2.gz GYFJDIVKUMUKMN-LLVKDONJSA-N 0 1 278.421 4.020 20 0 CIADMN CCc1cccc(CN[C@H](CC)c2nc(C)cs2)c1 ZINC000189928242 524070061 /nfs/dbraw/zinc/07/00/61/524070061.db2.gz YFOKHAGYIKIKKB-OAHLLOKOSA-N 0 1 274.433 4.255 20 0 CIADMN COc1ccc(CN[C@@H]2CCCc3occc32)cc1Cl ZINC000086584007 524087200 /nfs/dbraw/zinc/08/72/00/524087200.db2.gz ZKTWETVQTNXDSL-CQSZACIVSA-N 0 1 291.778 4.109 20 0 CIADMN COc1cccc([C@H](C)N[C@H](C)c2ccc(Cl)cn2)c1 ZINC000274887526 524157430 /nfs/dbraw/zinc/15/74/30/524157430.db2.gz IVXHTEGCALWNBA-NWDGAFQWSA-N 0 1 290.794 4.155 20 0 CIADMN COc1ccc(F)cc1[C@@H](C)N[C@@H](C)c1ccccc1 ZINC000037089947 524331212 /nfs/dbraw/zinc/33/12/12/524331212.db2.gz GGQUFSDJKHPZNH-QWHCGFSZSA-N 0 1 273.351 4.246 20 0 CIADMN C[C@H]1CC[C@]2(CCN(Cc3csc(C4CC4)n3)C2)C1 ZINC000359286085 524429657 /nfs/dbraw/zinc/42/96/57/524429657.db2.gz HIWBVJOOPGBGMI-LRDDRELGSA-N 0 1 276.449 4.033 20 0 CIADMN Cc1ccc(CNCc2ccc([C@@H]3C[C@@H]3C)o2)s1 ZINC000048068662 524583012 /nfs/dbraw/zinc/58/30/12/524583012.db2.gz AJIOQTYSNACLBC-IINYFYTJSA-N 0 1 261.390 4.063 20 0 CIADMN Cc1ccc(CN[C@H](C)c2ccc(F)c(Cl)c2)cn1 ZINC000062051179 524605889 /nfs/dbraw/zinc/60/58/89/524605889.db2.gz QFAJABYOFCOFCF-LLVKDONJSA-N 0 1 278.758 4.033 20 0 CIADMN COc1ccccc1[C@@H](C)N[C@H]1CCCc2c(O)cccc21 ZINC000291354696 524725082 /nfs/dbraw/zinc/72/50/82/524725082.db2.gz XPNWNRPNNKWHKC-DYVFJYSZSA-N 0 1 297.398 4.129 20 0 CIADMN COc1ccccc1[C@@H](C)N[C@H](C)c1cc(F)cc(F)c1 ZINC000094826152 524725112 /nfs/dbraw/zinc/72/51/12/524725112.db2.gz WNUXHQSWRXIBPU-VXGBXAGGSA-N 0 1 291.341 4.385 20 0 CIADMN COc1ccccc1[C@@H](C)N[C@H](C)c1ccsc1 ZINC000050338539 524725961 /nfs/dbraw/zinc/72/59/61/524725961.db2.gz KLHWCCXQLMZJBD-VXGBXAGGSA-N 0 1 261.390 4.169 20 0 CIADMN Cc1cc(CN[C@H](C)c2ccc(Cl)cn2)ccc1F ZINC000274979684 524776677 /nfs/dbraw/zinc/77/66/77/524776677.db2.gz ZAJPWLNBSGOADI-LLVKDONJSA-N 0 1 278.758 4.033 20 0 CIADMN Cc1cc(CN[C@H](C)c2cccc(F)c2F)cc(C)c1O ZINC000290494138 524778970 /nfs/dbraw/zinc/77/89/70/524778970.db2.gz WDZGENYCVOCRJL-GFCCVEGCSA-N 0 1 291.341 4.138 20 0 CIADMN COc1ccncc1CN[C@@H](CC(C)(C)C)c1ccccc1 ZINC000340406604 524858849 /nfs/dbraw/zinc/85/88/49/524858849.db2.gz HBTOQQKZGOBLEC-KRWDZBQOSA-N 0 1 298.430 4.357 20 0 CIADMN COc1ccncc1CN[C@H](C)c1cccc2ccccc21 ZINC000340403302 524859894 /nfs/dbraw/zinc/85/98/94/524859894.db2.gz DJGWELJDLRRNRB-CQSZACIVSA-N 0 1 292.382 4.094 20 0 CIADMN COc1ccncc1CN[C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000294312839 524860193 /nfs/dbraw/zinc/86/01/93/524860193.db2.gz NZXHFFGRWNSOKM-ZWKOTPCHSA-N 0 1 296.414 4.064 20 0 CIADMN COc1ccncc1CN[C@H](C)c1cc2ccccc2s1 ZINC000340402836 524860217 /nfs/dbraw/zinc/86/02/17/524860217.db2.gz JQRPKQAMBSCDHA-GFCCVEGCSA-N 0 1 298.411 4.156 20 0 CIADMN COc1ccc([C@@H](C)N[C@@H](C)c2ccc(C)o2)cc1F ZINC000036960116 525160154 /nfs/dbraw/zinc/16/01/54/525160154.db2.gz ARIZRBXWTAFRPN-NEPJUHHUSA-N 0 1 277.339 4.148 20 0 CIADMN COc1ccc([C@@H](C)N[C@H](C)c2ccc(F)cc2F)cc1 ZINC000036952829 525162284 /nfs/dbraw/zinc/16/22/84/525162284.db2.gz URXCDDHSYMDEHV-VXGBXAGGSA-N 0 1 291.341 4.385 20 0 CIADMN COc1ccc([C@H](C)N[C@H](C)c2cccs2)c(OC)c1 ZINC000020148489 525333361 /nfs/dbraw/zinc/33/33/61/525333361.db2.gz JHXJDWABSAJYON-NWDGAFQWSA-N 0 1 291.416 4.177 20 0 CIADMN COc1ccc([C@H](C)N[C@H](C)c2ccc(C)o2)cc1 ZINC000036960300 525334572 /nfs/dbraw/zinc/33/45/72/525334572.db2.gz XWCPOJYAGCFTII-QWHCGFSZSA-N 0 1 259.349 4.008 20 0 CIADMN C[C@@H]1C[C@@H]1c1ccc(CN[C@H](c2cccnc2)C2CC2)o1 ZINC000340103316 525344224 /nfs/dbraw/zinc/34/42/24/525344224.db2.gz BYDAGTMPULHEQU-PUECVXPYSA-N 0 1 282.387 4.039 20 0 CIADMN COc1ccc([C@H](N[C@H](C)c2ccco2)C2CC2)cc1 ZINC000037260367 525373647 /nfs/dbraw/zinc/37/36/47/525373647.db2.gz YWNYQGQUKYHXJN-SJKOYZFVSA-N 0 1 271.360 4.090 20 0 CIADMN C[C@H](NCc1ccc(C(C)(F)F)cc1)c1cncc(F)c1 ZINC000292848699 525437019 /nfs/dbraw/zinc/43/70/19/525437019.db2.gz BQDGTXVBJWVPHX-NSHDSACASA-N 0 1 294.320 4.183 20 0 CIADMN C[C@H](NCc1ccc(Cl)cn1)c1cccc(C2CC2)c1 ZINC000340319022 525441869 /nfs/dbraw/zinc/44/18/69/525441869.db2.gz YGQJFHXJGGAKQS-LBPRGKRZSA-N 0 1 286.806 4.463 20 0 CIADMN C[C@H](NCc1ccc2sccc2c1)c1ccncc1F ZINC000340399364 525454055 /nfs/dbraw/zinc/45/40/55/525454055.db2.gz FULNDERZMIBNKL-NSHDSACASA-N 0 1 286.375 4.286 20 0 CIADMN Cc1cc([C@@H](C)N[C@@H]2CCOc3ccccc32)c(C)o1 ZINC000037074428 525475279 /nfs/dbraw/zinc/47/52/79/525475279.db2.gz GAXUNQYUHKQNFM-MLGOLLRUSA-N 0 1 271.360 4.071 20 0 CIADMN Cc1cc([C@@H](C)N[C@@H]2CCCc3nc(C)sc32)oc1C ZINC000369214398 525475503 /nfs/dbraw/zinc/47/55/03/525475503.db2.gz KXUVWIONXWCXJM-ZWNOBZJWSA-N 0 1 290.432 4.390 20 0 CIADMN C[C@H](NCc1cncs1)c1cccc(C(F)(F)F)c1 ZINC000054770927 525480907 /nfs/dbraw/zinc/48/09/07/525480907.db2.gz ACPGAOZOOAORKL-VIFPVBQESA-N 0 1 286.322 4.013 20 0 CIADMN C[C@H](NCc1csc2ccccc12)c1ccco1 ZINC000049943315 525482608 /nfs/dbraw/zinc/48/26/08/525482608.db2.gz RAVDXPMRNQHVFS-NSHDSACASA-N 0 1 257.358 4.345 20 0 CIADMN Cc1cc([C@@H](N[C@@H](C)c2nccnc2C)C2CC2)ccc1F ZINC000275895690 525483524 /nfs/dbraw/zinc/48/35/24/525483524.db2.gz RHVMIYJCIANFTI-UGSOOPFHSA-N 0 1 299.393 4.034 20 0 CIADMN C[C@@H](NCc1ccc(C(C)(F)F)cc1)c1ccncc1F ZINC000340427118 525517773 /nfs/dbraw/zinc/51/77/73/525517773.db2.gz TYUNIDPQGGLWMQ-LLVKDONJSA-N 0 1 294.320 4.183 20 0 CIADMN Cc1cc([C@H](C)NCCc2csc3ccccc23)no1 ZINC000289712185 525518009 /nfs/dbraw/zinc/51/80/09/525518009.db2.gz KVUTVOGYIDWJKK-LBPRGKRZSA-N 0 1 286.400 4.091 20 0 CIADMN Cc1cc([C@H](C)N[C@@H](c2cccc(C)c2)C(C)(C)C)nn1C ZINC000282117665 525525031 /nfs/dbraw/zinc/52/50/31/525525031.db2.gz JIKFFOMXJBJFOA-YJBOKZPZSA-N 0 1 299.462 4.475 20 0 CIADMN Cc1cc([C@H](C)N[C@@H](C)c2cncs2)ccc1F ZINC000271444096 525526066 /nfs/dbraw/zinc/52/60/66/525526066.db2.gz DQGSKJYDZKARRY-QWRGUYRKSA-N 0 1 264.369 4.002 20 0 CIADMN C[C@H](N[C@@H]1CCc2ccccc21)c1ccc(Cl)cn1 ZINC000274886494 525583453 /nfs/dbraw/zinc/58/34/53/525583453.db2.gz IPIJKDQKZLETPV-MEDUHNTESA-N 0 1 272.779 4.073 20 0 CIADMN C[C@H](N[C@H](c1nccn1C)C1CC1)c1cccc(C2CC2)c1 ZINC000340391980 525601416 /nfs/dbraw/zinc/60/14/16/525601416.db2.gz NFIDHOKRGLJFEG-UGSOOPFHSA-N 0 1 295.430 4.099 20 0 CIADMN Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@@H](C)c1cccnc1 ZINC000037118552 525626171 /nfs/dbraw/zinc/62/61/71/525626171.db2.gz JHZSSDKNROSMKM-BBRMVZONSA-N 0 1 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