smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCn1cncc1CNCc1cc(Br)cs1 ZINC000090205556 1081703420 /nfs/dbraw/zinc/70/34/20/1081703420.db2.gz ZWBDCAPTNRXCFQ-UHFFFAOYSA-N 0 1 314.252 3.407 10 0 DGAEMN CSC1(CNCc2ncccc2Br)CCC1 ZINC000380683659 1108069486 /nfs/dbraw/zinc/06/94/86/1108069486.db2.gz GZTXNTWRTGBMKQ-UHFFFAOYSA-N 0 1 301.253 3.219 10 0 DGAEMN Oc1cc(Br)ccc1-c1nc([C@@H]2CCCO2)no1 ZINC000087803810 185232452 /nfs/dbraw/zinc/23/24/52/185232452.db2.gz YPGUIOODHBDBBJ-JTQLQIEISA-N 0 1 311.135 3.056 10 0 DGAEMN CCN(C)[C@@H](C(=O)N1CCc2cc(OC)ccc21)c1ccccc1 ZINC000103192731 432005863 /nfs/dbraw/zinc/00/58/63/432005863.db2.gz BVFHWOLIVXKDFU-LJQANCHMSA-N 0 1 324.424 3.277 10 0 DGAEMN COC[C@@H](Cc1ccccc1)NCc1ccn(C2CCCC2)n1 ZINC000090572274 185304393 /nfs/dbraw/zinc/30/43/93/185304393.db2.gz WIVWFNUQAUOBEI-GOSISDBHSA-N 0 1 313.445 3.346 10 0 DGAEMN CSc1cc(C(=O)N2CCCC[C@H]2c2nnc[nH]2)ccc1F ZINC000181366814 199286431 /nfs/dbraw/zinc/28/64/31/199286431.db2.gz XOAVHNVREZXNQU-LBPRGKRZSA-N 0 1 320.393 3.033 10 0 DGAEMN CCc1nn(C)c(Cl)c1CN1CC[C@H](Nc2ccccc2)C1 ZINC000092757650 185338646 /nfs/dbraw/zinc/33/86/46/185338646.db2.gz PWOADZNJTKLQOY-AWEZNQCLSA-N 0 1 318.852 3.322 10 0 DGAEMN CC(C)Cc1ncc(CN2CCC(c3cc[nH]n3)CC2)s1 ZINC000092811049 185342660 /nfs/dbraw/zinc/34/26/60/185342660.db2.gz PGXUWQHYRHAPKI-UHFFFAOYSA-N 0 1 304.463 3.444 10 0 DGAEMN Cc1cccc(C(=O)N2CCCC[C@H]2c2nnc[nH]2)c1Cl ZINC000181377336 199287912 /nfs/dbraw/zinc/28/79/12/199287912.db2.gz GKXWUKCFTXUTJR-LBPRGKRZSA-N 0 1 304.781 3.134 10 0 DGAEMN C[C@@H](NCC(=O)NC(C)(C)C)c1ccc(OCC2CC2)c(F)c1 ZINC000181591235 199324204 /nfs/dbraw/zinc/32/42/04/199324204.db2.gz LLMCHFKMJIVFPZ-GFCCVEGCSA-N 0 1 322.424 3.180 10 0 DGAEMN Cc1nc(C)c([C@H](C)NCc2cn(C)nc2C(F)(F)F)s1 ZINC000181580086 199321419 /nfs/dbraw/zinc/32/14/19/199321419.db2.gz BANOQZCQKSPDNJ-ZETCQYMHSA-N 0 1 318.368 3.363 10 0 DGAEMN CC(C)c1ccccc1OC[C@@H](O)CN1C[C@H](C)OC(C)(C)C1 ZINC000065448691 432011497 /nfs/dbraw/zinc/01/14/97/432011497.db2.gz HPJVKQGRQABGAB-HOTGVXAUSA-N 0 1 321.461 3.049 10 0 DGAEMN c1ccc(Oc2cccnc2)c(CN2CCN(C3CC3)CC2)c1 ZINC000130016227 432013232 /nfs/dbraw/zinc/01/32/32/432013232.db2.gz BQWRQAWCHVFODB-UHFFFAOYSA-N 0 1 309.413 3.154 10 0 DGAEMN C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1[nH]nc2ccccc21 ZINC000066712861 432019701 /nfs/dbraw/zinc/01/97/01/432019701.db2.gz WPFMHJUYWSYSDK-DYVFJYSZSA-N 0 1 321.380 3.165 10 0 DGAEMN CCCN(CC(=O)Nc1cccc(F)c1)C[C@H]1CCCCO1 ZINC000106866576 432023351 /nfs/dbraw/zinc/02/33/51/432023351.db2.gz ICXHCROICPHJGS-MRXNPFEDSA-N 0 1 308.397 3.045 10 0 DGAEMN CC(=Cc1ccc(F)cc1)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000155819966 186115920 /nfs/dbraw/zinc/11/59/20/186115920.db2.gz OONNCJSXJMJKHP-OBIHZWKSSA-N 0 1 301.365 3.008 10 0 DGAEMN CC(=O)c1ccccc1C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000179708181 186208347 /nfs/dbraw/zinc/20/83/47/186208347.db2.gz VBELVXBOJZCBGG-HNNXBMFYSA-N 0 1 324.424 3.140 10 0 DGAEMN Brc1ccc([C@H](NC2CC2)c2cncnc2)cc1 ZINC000186072146 186238541 /nfs/dbraw/zinc/23/85/41/186238541.db2.gz MYPCRDOIFVWDAZ-AWEZNQCLSA-N 0 1 304.191 3.081 10 0 DGAEMN CCc1nnc(CN(C)[C@H](CC)Cc2ccc(C)cc2)n1C ZINC000173993205 198278115 /nfs/dbraw/zinc/27/81/15/198278115.db2.gz DBOUWYHEXMIOAH-MRXNPFEDSA-N 0 1 300.450 3.139 10 0 DGAEMN Cc1ccc2nc(CNC(=O)c3scnc3C3CC3)[nH]c2c1 ZINC000179043516 432036456 /nfs/dbraw/zinc/03/64/56/432036456.db2.gz AJSMDLZBDNFXJC-UHFFFAOYSA-N 0 1 312.398 3.135 10 0 DGAEMN Fc1ccccc1-c1n[nH]c2c1CN(C1CCSCC1)CC2 ZINC000020907446 283027997 /nfs/dbraw/zinc/02/79/97/283027997.db2.gz VNHWPAIWMUVZCR-UHFFFAOYSA-N 0 1 317.433 3.470 10 0 DGAEMN Cc1ccc(-c2cc(CN3CCCC[C@H]3c3nnc[nH]3)on2)cc1 ZINC000182684961 199474622 /nfs/dbraw/zinc/47/46/22/199474622.db2.gz SMVLVUFTJIKGKQ-KRWDZBQOSA-N 0 1 323.400 3.495 10 0 DGAEMN CCOc1ccc2c(c1)NC(=O)C[C@H]2c1n[nH]c(C)c1Cl ZINC000067785492 432040592 /nfs/dbraw/zinc/04/05/92/432040592.db2.gz PECDKBUNHXLZIP-LLVKDONJSA-N 0 1 305.765 3.244 10 0 DGAEMN CC(C)(C)CCCC(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000163721285 432041898 /nfs/dbraw/zinc/04/18/98/432041898.db2.gz NHPLPMFJSHNGFD-UHFFFAOYSA-N 0 1 314.433 3.347 10 0 DGAEMN CCCC[C@@H](CC)C(=O)NCCc1nnc(-c2ccccc2)[nH]1 ZINC000163730315 432042182 /nfs/dbraw/zinc/04/21/82/432042182.db2.gz AFIBHEDBLDXZMI-CQSZACIVSA-N 0 1 314.433 3.347 10 0 DGAEMN CCC[C@H](C)c1c(O)nc(Nc2nc3ccccc3o2)[nH]c1=O ZINC000005634040 181266754 /nfs/dbraw/zinc/26/67/54/181266754.db2.gz LFTOLRRAJAHPBE-VIFPVBQESA-N 0 1 314.345 3.264 10 0 DGAEMN CC[C@H](CC(=O)N1CCCC[C@@H]1c1nnc[nH]1)c1ccccc1 ZINC000179342441 432054931 /nfs/dbraw/zinc/05/49/31/432054931.db2.gz IGGSMNSOMBRUIX-GDBMZVCRSA-N 0 1 312.417 3.442 10 0 DGAEMN CC(C)N(CCc1nccs1)C(=O)c1cccc2c[nH]nc21 ZINC000133199008 432059153 /nfs/dbraw/zinc/05/91/53/432059153.db2.gz LPDYFZWPIRFYEB-UHFFFAOYSA-N 0 1 314.414 3.113 10 0 DGAEMN Brc1cncc(CN[C@@H]2CCOc3ccccc32)c1 ZINC000166891264 432063081 /nfs/dbraw/zinc/06/30/81/432063081.db2.gz LMNUHHXBSYSFNE-CQSZACIVSA-N 0 1 319.202 3.458 10 0 DGAEMN O=C(N[C@H]1CCc2c1cccc2Cl)[C@H]1CCCc2[nH]ncc21 ZINC000133512115 432065244 /nfs/dbraw/zinc/06/52/44/432065244.db2.gz RNFXDQVEJZGKGS-WFASDCNBSA-N 0 1 315.804 3.287 10 0 DGAEMN C[C@H](NC(=O)[C@@H]1CCCc2[nH]ncc21)c1ccc(F)c(Cl)c1 ZINC000133513340 432065572 /nfs/dbraw/zinc/06/55/72/432065572.db2.gz OUNCEKAYMXMNNN-GXSJLCMTSA-N 0 1 321.783 3.500 10 0 DGAEMN CCCn1cc(CN(C)CCCOc2ccc(F)cc2)cn1 ZINC000179786559 432069993 /nfs/dbraw/zinc/06/99/93/432069993.db2.gz RNIPKHUHNOKBDG-UHFFFAOYSA-N 0 1 305.397 3.333 10 0 DGAEMN COc1ccc([C@H](C)NCc2ccc(CO)c(F)c2)c(F)c1 ZINC000178560963 198888444 /nfs/dbraw/zinc/88/84/44/198888444.db2.gz KBDHWROYRAQWPX-NSHDSACASA-N 0 1 307.340 3.317 10 0 DGAEMN Cc1cnn([C@@H]2CCC[N@H+](Cc3c[nH]c(-c4ccccc4)n3)C2)c1 ZINC000179544057 199052586 /nfs/dbraw/zinc/05/25/86/199052586.db2.gz ZKXJAVIJDAGXBJ-GOSISDBHSA-N 0 1 321.428 3.419 10 0 DGAEMN Cc1cnn([C@@H]2CCCN(Cc3cnc(-c4ccccc4)[nH]3)C2)c1 ZINC000179544057 199052592 /nfs/dbraw/zinc/05/25/92/199052592.db2.gz ZKXJAVIJDAGXBJ-GOSISDBHSA-N 0 1 321.428 3.419 10 0 DGAEMN Cn1cc([C@H]2CCN(CCOc3ccc(F)cc3Cl)C2)cn1 ZINC000179612102 199064227 /nfs/dbraw/zinc/06/42/27/199064227.db2.gz FYWWSVIPFVFGAO-LBPRGKRZSA-N 0 1 323.799 3.081 10 0 DGAEMN Cn1cc(CN2CCC[C@H](C(F)(F)F)C2)c(-c2cccnc2)n1 ZINC000179620727 199066096 /nfs/dbraw/zinc/06/60/96/199066096.db2.gz HUMXYCXDXWRBIR-AWEZNQCLSA-N 0 1 324.350 3.256 10 0 DGAEMN CCc1ccc([C@@H](COC)NC[C@](C)(O)c2ccccc2)o1 ZINC000184840668 199772182 /nfs/dbraw/zinc/77/21/82/199772182.db2.gz OFELFPSALDXXDC-AEFFLSMTSA-N 0 1 303.402 3.027 10 0 DGAEMN CCC[C@@H]1C[C@H](C(=O)Nc2ccc3c(C)[nH]nc3c2)CCO1 ZINC000180166115 199125751 /nfs/dbraw/zinc/12/57/51/199125751.db2.gz BYOJQVLPWOUUAE-TZMCWYRMSA-N 0 1 301.390 3.405 10 0 DGAEMN CC(C)Oc1ccc(NC(=O)N[C@@H](C)c2nnc[nH]2)cc1Cl ZINC000180629621 199187524 /nfs/dbraw/zinc/18/75/24/199187524.db2.gz UQJXPSMJHXMTEO-VIFPVBQESA-N 0 1 323.784 3.128 10 0 DGAEMN C[C@@H](c1cnn(C)c1)N(C)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000180765462 199206296 /nfs/dbraw/zinc/20/62/96/199206296.db2.gz PKWJLHUASQYOHZ-LBPRGKRZSA-N 0 1 315.421 3.024 10 0 DGAEMN COc1cc(CN2CCC[C@H]2c2c(C)nn(C)c2C)ccc1O ZINC000180078874 432078449 /nfs/dbraw/zinc/07/84/49/432078449.db2.gz TUNJEORMMJONLM-HNNXBMFYSA-N 0 1 315.417 3.088 10 0 DGAEMN CCCOc1ccc2c(c1)CCN(C[C@@H](O)COC(C)(C)C)C2 ZINC000134525950 432079019 /nfs/dbraw/zinc/07/90/19/432079019.db2.gz RMGTVJSLZLJZJG-QGZVFWFLSA-N 0 1 321.461 3.010 10 0 DGAEMN CN1CC[C@H](NC(=O)c2cccc(F)c2F)[C@@H]1c1ccccc1 ZINC000180142897 432079456 /nfs/dbraw/zinc/07/94/56/432079456.db2.gz VZHQPKRBPWKZJI-RDJZCZTQSA-N 0 1 316.351 3.140 10 0 DGAEMN CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2cc(O)cc(F)c2)C1 ZINC000186203306 199927877 /nfs/dbraw/zinc/92/78/77/199927877.db2.gz LXROXGNAIMWZBS-DZGCQCFKSA-N 0 1 322.424 3.048 10 0 DGAEMN C[C@@H](Cc1ccccc1)CN1CCN(CC(F)(F)F)CC1 ZINC000186861069 200023041 /nfs/dbraw/zinc/02/30/41/200023041.db2.gz LLZONPCJBUMMIB-AWEZNQCLSA-N 0 1 300.368 3.045 10 0 DGAEMN C[C@H]1CC[C@@](CO)(N(C)Cc2cc(-c3cccs3)on2)C1 ZINC000187938615 200179642 /nfs/dbraw/zinc/17/96/42/200179642.db2.gz WGDOPPNITDJERD-BLLLJJGKSA-N 0 1 306.431 3.386 10 0 DGAEMN Cc1cc(C)c(NC(=O)CN(C)[C@@]2(CO)CC[C@H](C)C2)c(C)c1 ZINC000187954884 200182631 /nfs/dbraw/zinc/18/26/31/200182631.db2.gz AHSVKHWAADPOJC-DJJJIMSYSA-N 0 1 318.461 3.033 10 0 DGAEMN CCCc1nc(CN2C[C@@H](c3ccsc3)[C@H](CO)C2)cs1 ZINC000188113841 200195957 /nfs/dbraw/zinc/19/59/57/200195957.db2.gz VRJOGKWXPBNCKK-ZFWWWQNUSA-N 0 1 322.499 3.365 10 0 DGAEMN CC(=O)[C@@H](C)CCCCC(=O)NCc1nc2ccc(C)cc2[nH]1 ZINC000188169625 200203512 /nfs/dbraw/zinc/20/35/12/200203512.db2.gz JCTPIQAUJVMRAX-ZDUSSCGKSA-N 0 1 315.417 3.273 10 0 DGAEMN CN(C)c1ccncc1C(=O)N1CCC(c2ccsc2)CC1 ZINC000188713409 200292303 /nfs/dbraw/zinc/29/23/03/200292303.db2.gz ZMNCCVAYDXUBCW-UHFFFAOYSA-N 0 1 315.442 3.229 10 0 DGAEMN C[C@@H]1OCCC[C@H]1C(=O)NOCc1ccc(C(F)(F)F)cc1 ZINC000189656470 200433193 /nfs/dbraw/zinc/43/31/93/200433193.db2.gz UIZQRDGDVVMLIE-GXFFZTMASA-N 0 1 317.307 3.068 10 0 DGAEMN CCCN(Cc1nc2ccccc2n1C)C[C@H]1CCCCO1 ZINC000170958050 432088806 /nfs/dbraw/zinc/08/88/06/432088806.db2.gz TTWNYRIOZRVVNC-OAHLLOKOSA-N 0 1 301.434 3.354 10 0 DGAEMN CCCN(Cc1cn2c(cccc2C)n1)C[C@@H]1CCCCO1 ZINC000170957925 432089205 /nfs/dbraw/zinc/08/92/05/432089205.db2.gz CAMHYKJVMHRDOT-KRWDZBQOSA-N 0 1 301.434 3.424 10 0 DGAEMN COc1cccc2cc([C@H](C)NCC3(C)OCCCO3)oc21 ZINC000190664402 200570880 /nfs/dbraw/zinc/57/08/80/200570880.db2.gz IQEGRQGSROZMHK-LBPRGKRZSA-N 0 1 305.374 3.245 10 0 DGAEMN O=C([C@@H]1CCCc2[nH]ncc21)N1CCC[C@H]1Cc1ccccc1 ZINC000132138520 296028497 /nfs/dbraw/zinc/02/84/97/296028497.db2.gz SHOCSYVNGASPQZ-JKSUJKDBSA-N 0 1 309.413 3.063 10 0 DGAEMN CC(C)C[C@H](C)N(C)C(=O)CN[C@H]1CCCc2c(O)cccc21 ZINC000192367959 200861729 /nfs/dbraw/zinc/86/17/29/200861729.db2.gz MDNYYNUYAFDGKB-YOEHRIQHSA-N 0 1 318.461 3.252 10 0 DGAEMN OCCC1(NCc2nc(-c3ccc(F)cc3)no2)CCCCC1 ZINC000440892670 238991352 /nfs/dbraw/zinc/99/13/52/238991352.db2.gz UFGXQVMQHNQZRO-UHFFFAOYSA-N 0 1 319.380 3.051 10 0 DGAEMN O=C([C@@H]1CC[C@H]2CCCC[C@H]2C1)N1CCCN(C2CC2)CC1 ZINC000245712160 296046497 /nfs/dbraw/zinc/04/64/97/296046497.db2.gz NQFHYJYCBRGHIU-IXDOHACOSA-N 0 1 304.478 3.290 10 0 DGAEMN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ccccc1OC ZINC000246159092 432100630 /nfs/dbraw/zinc/10/06/30/432100630.db2.gz GBHHCOYZJYFPQO-IMJJTQAJSA-N 0 1 303.402 3.001 10 0 DGAEMN Cc1nc(C(F)(F)F)c(CN(CC(C)(C)O)C2CC2)s1 ZINC000189892901 432101789 /nfs/dbraw/zinc/10/17/89/432101789.db2.gz KTSOQUIRTLRZIG-UHFFFAOYSA-N 0 1 308.369 3.206 10 0 DGAEMN CCOC(=O)CCCCN1C[C@H](c2ccccc2)OC[C@H]1C ZINC000246191193 432105630 /nfs/dbraw/zinc/10/56/30/432105630.db2.gz MAYONDPHQOYGHT-NVXWUHKLSA-N 0 1 305.418 3.182 10 0 DGAEMN COc1cccc(N2CCC[C@H](N[C@@H](C)c3nccs3)C2)c1 ZINC000091726238 193098436 /nfs/dbraw/zinc/09/84/36/193098436.db2.gz DQWQQOIMNYQBCF-KBPBESRZSA-N 0 1 317.458 3.471 10 0 DGAEMN COc1ccccc1/C=C/CN1CCC(c2nc(C)no2)CC1 ZINC000091835694 193115058 /nfs/dbraw/zinc/11/50/58/193115058.db2.gz YMQWBIZUIJUCLR-FNORWQNLSA-N 0 1 313.401 3.279 10 0 DGAEMN CC(=O)c1c(C)cc(C)c(CN2CC[C@@](O)(C(F)F)C2)c1C ZINC000451443572 241126014 /nfs/dbraw/zinc/12/60/14/241126014.db2.gz ZOSRHZZEOPYJIG-KRWDZBQOSA-N 0 1 311.372 3.016 10 0 DGAEMN Cc1cc(C[C@@H](C)NC(=O)N2CC[C@H](CC(C)(C)C)C2)n[nH]1 ZINC000454701669 242014038 /nfs/dbraw/zinc/01/40/38/242014038.db2.gz GHIZFDAGYIHXGS-TZMCWYRMSA-N 0 1 306.454 3.117 10 0 DGAEMN C[C@@H](CCc1ccccc1F)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000246253710 432112287 /nfs/dbraw/zinc/11/22/87/432112287.db2.gz XEDXGSPUJCFPIJ-RDJZCZTQSA-N 0 1 318.436 3.091 10 0 DGAEMN Cc1nc(CN2CCC[C@H](c3nncn3C3CC3)C2)sc1C ZINC000091630079 284002859 /nfs/dbraw/zinc/00/28/59/284002859.db2.gz CWTNTKZMTMHZCF-ZDUSSCGKSA-N 0 1 317.462 3.066 10 0 DGAEMN Cc1[nH]nc2cc(NC(=O)c3cc(Br)c[nH]3)ccc12 ZINC000091824906 284003654 /nfs/dbraw/zinc/00/36/54/284003654.db2.gz JMRPUOBNGHSWQQ-UHFFFAOYSA-N 0 1 319.162 3.214 10 0 DGAEMN 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C[C@@H]1CN(C)C[C@H](C)N1C(=O)c1ccc(OC(C)(C)C)cc1 ZINC000155502607 432558135 /nfs/dbraw/zinc/55/81/35/432558135.db2.gz NDOKLDILZBLQPF-OKILXGFUSA-N 0 1 304.434 3.029 10 0 DGAEMN C[C@H](C(=O)[O-])[N@@H+](CCOc1cc(Cl)ccc1Cl)C1CC1 ZINC000263186644 432525667 /nfs/dbraw/zinc/52/56/67/432525667.db2.gz UYBNEJNNMVVQLN-SECBINFHSA-N 0 1 318.200 3.310 10 0 DGAEMN C[C@H]1CCCCN1CCNC(=O)c1scnc1C(C)(C)C ZINC000176558946 432534165 /nfs/dbraw/zinc/53/41/65/432534165.db2.gz CWYZIXXNYPKCNO-LBPRGKRZSA-N 0 1 309.479 3.045 10 0 DGAEMN CN(C)Cc1ccnc(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)c1 ZINC000176909211 432564892 /nfs/dbraw/zinc/56/48/92/432564892.db2.gz ARELIVVDJPHFQX-CVEARBPZSA-N 0 1 301.434 3.298 10 0 DGAEMN O=C(Nc1ccc2[nH]nnc2c1)c1ccc(-n2cccc2)c(F)c1 ZINC000176722460 432546260 /nfs/dbraw/zinc/54/62/60/432546260.db2.gz YNMMWCOCOAABSW-UHFFFAOYSA-N 0 1 321.315 3.140 10 0 DGAEMN CC(C)[C@@H]1C[C@@H]1C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000186575219 432608726 /nfs/dbraw/zinc/60/87/26/432608726.db2.gz 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ZINC000188247848 432714919 /nfs/dbraw/zinc/71/49/19/432714919.db2.gz YWYFQMJGPHTPQU-LJQANCHMSA-N 0 1 311.429 3.468 10 0 DGAEMN CCC[C@@H](C(=O)Nc1ccn(-c2ccccc2Cl)n1)N(C)C ZINC000159209060 432673528 /nfs/dbraw/zinc/67/35/28/432673528.db2.gz FENOXUJUHINRLD-AWEZNQCLSA-N 0 1 320.824 3.195 10 0 DGAEMN CO[C@@H](C)c1cccc(NC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)c1 ZINC000159247556 432676612 /nfs/dbraw/zinc/67/66/12/432676612.db2.gz HUZAAAVLWIPABP-AAEUAGOBSA-N 0 1 316.405 3.178 10 0 DGAEMN Cc1nc(C(=O)Nc2nc(-c3ccc(C)cc3)n[nH]2)c(C)s1 ZINC000178577019 432754687 /nfs/dbraw/zinc/75/46/87/432754687.db2.gz HUMPMZCOLJBKLO-UHFFFAOYSA-N 0 1 313.386 3.106 10 0 DGAEMN Cn1nccc1CNCc1cc(Cl)cc(C(F)(F)F)c1 ZINC000189037439 432760511 /nfs/dbraw/zinc/76/05/11/432760511.db2.gz CFAOOWWUOMVRCN-UHFFFAOYSA-N 0 1 303.715 3.382 10 0 DGAEMN O[C@@]12CCCC[C@@H]1C[N@@H+](Cc1cccc(OC(F)F)c1)CC2 ZINC000178690687 432766092 /nfs/dbraw/zinc/76/60/92/432766092.db2.gz INAJKMNPXICMBD-RHSMWYFYSA-N 0 1 311.372 3.415 10 0 DGAEMN Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2cnccc2N(C)C)C1 ZINC000183579699 292670636 /nfs/dbraw/zinc/67/06/36/292670636.db2.gz JIFDIRASGRUAJN-JKSUJKDBSA-N 0 1 323.440 3.474 10 0 DGAEMN CCOC(=O)COCCN[C@H](C)c1ccc(Cl)cc1Cl ZINC000232435823 432736391 /nfs/dbraw/zinc/73/63/91/432736391.db2.gz RMBYKHIVUFCZGK-SNVBAGLBSA-N 0 1 320.216 3.224 10 0 DGAEMN CCc1c(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)[nH]nc1-c1ccncc1 ZINC000245419660 432828278 /nfs/dbraw/zinc/82/82/78/432828278.db2.gz BRPCYTWVOFFAKQ-FICVDOATSA-N 0 1 310.401 3.409 10 0 DGAEMN CC(C)c1ccc(C[N@H+](C[C@@H](C)CS(C)(=O)=O)C2CC2)cc1 ZINC000162615293 432828846 /nfs/dbraw/zinc/82/88/46/432828846.db2.gz YHPZFMXOULCXKU-OAHLLOKOSA-N 0 1 323.502 3.455 10 0 DGAEMN CC(C)c1ccc(CN(C[C@@H](C)CS(C)(=O)=O)C2CC2)cc1 ZINC000162615293 432828850 /nfs/dbraw/zinc/82/88/50/432828850.db2.gz YHPZFMXOULCXKU-OAHLLOKOSA-N 0 1 323.502 3.455 10 0 DGAEMN C[C@H](CN(C)[C@@H](C)c1ccc(Cl)cc1)CS(C)(=O)=O ZINC000162728019 432832407 /nfs/dbraw/zinc/83/24/07/432832407.db2.gz 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/nfs/dbraw/zinc/90/43/73/432904373.db2.gz ZNBVNGIHLFARTE-KBPBESRZSA-N 0 1 306.454 3.098 10 0 DGAEMN O=C(c1csc2c1CCCC2)N1CCCC[C@H]1c1nnc[nH]1 ZINC000296548557 432920989 /nfs/dbraw/zinc/92/09/89/432920989.db2.gz YRCOEPZABGABAT-ZDUSSCGKSA-N 0 1 316.430 3.112 10 0 DGAEMN C[C@@H]1CC[C@@H](NC(=O)N[C@H]2CCc3nc[nH]c3C2)c2ccccc21 ZINC000332893047 433021805 /nfs/dbraw/zinc/02/18/05/433021805.db2.gz PIAVEUCTQBDUPO-DVOMOZLQSA-N 0 1 324.428 3.205 10 0 DGAEMN CC(C)Sc1ccc(C(=O)N2[C@@H](C)CN(C)C[C@@H]2C)cc1 ZINC000155547711 292709682 /nfs/dbraw/zinc/70/96/82/292709682.db2.gz FHJQNJJVXXMKLF-KBPBESRZSA-N 0 1 306.475 3.352 10 0 DGAEMN CC(=O)c1ccccc1OCCN1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000298376717 433114061 /nfs/dbraw/zinc/11/40/61/433114061.db2.gz VIAVKGUACCEJML-JKSUJKDBSA-N 0 1 309.356 3.245 10 0 DGAEMN c1ccc(COc2cccnc2N2CCN(C3CCC3)CC2)cc1 ZINC000354583367 433165317 /nfs/dbraw/zinc/16/53/17/433165317.db2.gz VKMWGOGFZTYGGT-UHFFFAOYSA-N 0 1 323.440 3.335 10 0 DGAEMN C[C@H]1C[C@@H]1NCc1c(Br)cncc1Br ZINC000290984658 433214920 /nfs/dbraw/zinc/21/49/20/433214920.db2.gz YYTPGTRQQGDTFV-WKEGUHRASA-N 0 1 320.028 3.105 10 0 DGAEMN CC1(C)CN([C@@H]2CCc3ccc(F)cc32)C[C@]2(CCOC2)O1 ZINC000361530554 433227819 /nfs/dbraw/zinc/22/78/19/433227819.db2.gz YZQIIDNUYARDMZ-AEFFLSMTSA-N 0 1 305.393 3.083 10 0 DGAEMN c1cn(-c2ccccc2)c(CN2CCC[C@]3(CCCOC3)C2)n1 ZINC000361548195 433241765 /nfs/dbraw/zinc/24/17/65/433241765.db2.gz IPEXEEYFUQNWCX-IBGZPJMESA-N 0 1 311.429 3.265 10 0 DGAEMN Brc1ccc(CN2CCC[C@@H]3COCC[C@@H]32)o1 ZINC000361554815 433245556 /nfs/dbraw/zinc/24/55/56/433245556.db2.gz VNGJECVXRBSMMQ-PWSUYJOCSA-N 0 1 300.196 3.043 10 0 DGAEMN Cc1[nH]c2ccccc2c1C(=O)CN1CC[C@@H]([C@H]2CCOC2)C1 ZINC000361749498 433370515 /nfs/dbraw/zinc/37/05/15/433370515.db2.gz FHUXOXPEJNZODU-CABCVRRESA-N 0 1 312.413 3.017 10 0 DGAEMN c1cc(CN2CCC[C@H](OCC3CC3)C2)n(-c2ccccc2)n1 ZINC000448338333 433386024 /nfs/dbraw/zinc/38/60/24/433386024.db2.gz AUXOSDJKCLMPGZ-IBGZPJMESA-N 0 1 311.429 3.263 10 0 DGAEMN CC(C)c1nc([C@H]2CCCCN2C(=O)[C@@H]2CC=CCC2)n[nH]1 ZINC000292058786 433445003 /nfs/dbraw/zinc/44/50/03/433445003.db2.gz SACXWRYCCVDCJH-ZIAGYGMSSA-N 0 1 302.422 3.338 10 0 DGAEMN C[C@H](NCc1ccc(C(N)=O)nc1)c1cc(Cl)cc(Cl)c1 ZINC000361929467 433455676 /nfs/dbraw/zinc/45/56/76/433455676.db2.gz NJABEVFKPSDBEF-VIFPVBQESA-N 0 1 324.211 3.338 10 0 DGAEMN c1sc(-c2ccccn2)nc1CN1CCC[C@H]2COCC[C@@H]21 ZINC000355108527 433467302 /nfs/dbraw/zinc/46/73/02/433467302.db2.gz ODCSYCLZTSMAEJ-BBRMVZONSA-N 0 1 315.442 3.206 10 0 DGAEMN Cc1[nH]ncc1C1CCN(C(=O)c2csc(C)c2C)CC1 ZINC000375835126 433580443 /nfs/dbraw/zinc/58/04/43/433580443.db2.gz RDXAAMIILKFBCR-UHFFFAOYSA-N 0 1 303.431 3.416 10 0 DGAEMN CC(=O)N(C)c1ccc(C(=O)Nc2cccc(Cl)c2O)cc1 ZINC000426989904 433639611 /nfs/dbraw/zinc/63/96/11/433639611.db2.gz FDFSTKLFXUZBMB-UHFFFAOYSA-N 0 1 318.760 3.281 10 0 DGAEMN c1nc2c(ncnc2NC[C@H]2C[C@]23CCCc2ccccc23)[nH]1 ZINC000301626250 433647092 /nfs/dbraw/zinc/64/70/92/433647092.db2.gz HJVSJWUSAPDZRV-FZKQIMNGSA-N 0 1 305.385 3.059 10 0 DGAEMN O=C([C@@H]1CCC[C@@H]2CCCC[C@H]12)N1CCCC[C@H]1c1nnc[nH]1 ZINC000376101565 433667396 /nfs/dbraw/zinc/66/73/96/433667396.db2.gz DZLDYHCCQQNOFQ-JONQDZQNSA-N 0 1 316.449 3.465 10 0 DGAEMN Cc1cc(NC[C@H](C)N2CCOC[C@H]2C)c2cccc(F)c2n1 ZINC000301695485 433684294 /nfs/dbraw/zinc/68/42/94/433684294.db2.gz YOHLOXDFUBYXMX-UONOGXRCSA-N 0 1 317.408 3.203 10 0 DGAEMN Cc1n[nH]c(C(C)C)c1C(=O)N[C@H]1CCCc2c(O)cccc21 ZINC000190309055 293092765 /nfs/dbraw/zinc/09/27/65/293092765.db2.gz FSZPPAMASDTRQX-AWEZNQCLSA-N 0 1 313.401 3.355 10 0 DGAEMN c1cn(-c2ccccc2)nc1CN1CC[C@@H](Cc2ccncc2)C1 ZINC000370719238 293185786 /nfs/dbraw/zinc/18/57/86/293185786.db2.gz JSTAMYGJMMBQLW-SFHVURJKSA-N 0 1 318.424 3.332 10 0 DGAEMN O=C(Nc1cccc2c1OCCC2)c1cccc(-c2nnc[nH]2)c1 ZINC000371330694 293210922 /nfs/dbraw/zinc/21/09/22/293210922.db2.gz WXPMXSJPSSUVJL-UHFFFAOYSA-N 0 1 320.352 3.049 10 0 DGAEMN Cc1n[nH]c(C(C)C)c1C(=O)N1CCC([C@H]2CCCOC2)CC1 ZINC000371571009 293213024 /nfs/dbraw/zinc/21/30/24/293213024.db2.gz FCRIPIGCMZOVJD-HNNXBMFYSA-N 0 1 319.449 3.120 10 0 DGAEMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N[C@@H]1CC13CCCCC3)C2 ZINC000372386906 293241554 /nfs/dbraw/zinc/24/15/54/293241554.db2.gz NFZLSFWRNFPERK-XJKSGUPXSA-N 0 1 315.461 3.477 10 0 DGAEMN Cc1nc2ccccc2n1C1CCN(Cc2ccnc(C)n2)CC1 ZINC000373591593 293294465 /nfs/dbraw/zinc/29/44/65/293294465.db2.gz GFBXXEHFSIXFGI-UHFFFAOYSA-N 0 1 321.428 3.280 10 0 DGAEMN Cc1[nH]ncc1CNC(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000373916766 293332000 /nfs/dbraw/zinc/33/20/00/293332000.db2.gz RVEBDLOEDSTZKU-NNUKFRKNSA-N 0 1 318.808 3.117 10 0 DGAEMN Brc1cc(CN2CC[C@@H]([C@@H]3CCOC3)C2)cs1 ZINC000374387214 293393775 /nfs/dbraw/zinc/39/37/75/293393775.db2.gz AWZWZDWHMPXJPN-VXGBXAGGSA-N 0 1 316.264 3.369 10 0 DGAEMN Cc1nc([C@@H](C)NC[C@@H](C)N(C)C(=O)OC(C)(C)C)cs1 ZINC000283460055 433727032 /nfs/dbraw/zinc/72/70/32/433727032.db2.gz VIFMMNMLGSXJMC-GHMZBOCLSA-N 0 1 313.467 3.358 10 0 DGAEMN CCc1ccc([C@@H]2C[C@H](C)CCN2CC(=O)N(CC)CC)o1 ZINC000362454088 433729604 /nfs/dbraw/zinc/72/96/04/433729604.db2.gz YTDIEOGFTLXVLA-ZBFHGGJFSA-N 0 1 306.450 3.483 10 0 DGAEMN COc1cc2c(cc1F)nccc2N1CC[C@@]2(C1)CCCOC2 ZINC000376473272 433747883 /nfs/dbraw/zinc/74/78/83/433747883.db2.gz HICWLQHKRPAHNS-GOSISDBHSA-N 0 1 316.376 3.389 10 0 DGAEMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N1CC[C@@H]3CCC[C@@H]31)C2 ZINC000356902634 433763709 /nfs/dbraw/zinc/76/37/09/433763709.db2.gz LLMSRCSUNGQAOT-ZENOOKHLSA-N 0 1 301.434 3.039 10 0 DGAEMN Cc1cccc2nc(CNc3c(F)c(F)nc(F)c3F)[nH]c21 ZINC000301897598 433783644 /nfs/dbraw/zinc/78/36/44/433783644.db2.gz RIIZOONSXOSMTC-UHFFFAOYSA-N 0 1 310.254 3.435 10 0 DGAEMN c1nc2cc(-c3noc(CSCc4ccccn4)n3)ccc2[nH]1 ZINC000356982127 433801352 /nfs/dbraw/zinc/80/13/52/433801352.db2.gz MSWOKGBJIQOWBB-UHFFFAOYSA-N 0 1 323.381 3.441 10 0 DGAEMN Clc1cccc2c1OCCC[C@H]2Nc1ncnc2[nH]cnc21 ZINC000301997600 433808873 /nfs/dbraw/zinc/80/88/73/433808873.db2.gz IBJPBNVKZKVTQT-LLVKDONJSA-N 0 1 315.764 3.332 10 0 DGAEMN FC(F)(F)c1nc2[nH]cnc2c(N2CC[C@H]3CCCC[C@H]32)n1 ZINC000302652804 433828921 /nfs/dbraw/zinc/82/89/21/433828921.db2.gz GVNJQKGQPOQWJB-RKDXNWHRSA-N 0 1 311.311 3.141 10 0 DGAEMN CC(=O)c1ccc(O)c(NC(=O)c2coc(C3CCCC3)n2)c1 ZINC000436719791 434083355 /nfs/dbraw/zinc/08/33/55/434083355.db2.gz BKEMGMIZQGWCAH-UHFFFAOYSA-N 0 1 314.341 3.493 10 0 DGAEMN CC(C)[N@H+](Cc1ccc(Br)cc1F)C[C@@H](C)O ZINC000353383496 434096289 /nfs/dbraw/zinc/09/62/89/434096289.db2.gz FRGQWGHTGOXNLU-SNVBAGLBSA-N 0 1 304.203 3.179 10 0 DGAEMN CCn1nncc1CN[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000459385726 293970060 /nfs/dbraw/zinc/97/00/60/293970060.db2.gz ADAYSENONFFUIS-KRWDZBQOSA-N 0 1 302.397 3.458 10 0 DGAEMN CCN1C[C@H](C)N(C(=O)CC/C=C/c2ccccc2)C[C@@H]1C ZINC000498566477 294063949 /nfs/dbraw/zinc/06/39/49/294063949.db2.gz GGBKHZMYJSTBAW-MVIRQZGPSA-N 0 1 300.446 3.421 10 0 DGAEMN Cc1ccc2nc(CNC(=O)N3CC[C@H](C)[C@H](C)C3)[nH]c2c1 ZINC000499803094 294096074 /nfs/dbraw/zinc/09/60/74/294096074.db2.gz RVXLPBWBLMQEJH-QWHCGFSZSA-N 0 1 300.406 3.059 10 0 DGAEMN CC(=O)[C@H](C)CCCCC(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000378430240 434177798 /nfs/dbraw/zinc/17/77/98/434177798.db2.gz VDDZBRQBSMRZEE-GFCCVEGCSA-N 0 1 314.389 3.196 10 0 DGAEMN C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1ccc(O)c(Cl)c1 ZINC000436993127 434197754 /nfs/dbraw/zinc/19/77/54/434197754.db2.gz YRXBEFXFWIHJND-CBAPKCEASA-N 0 1 307.699 3.459 10 0 DGAEMN C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1ccc(O)c(Cl)c1 ZINC000436993128 434199457 /nfs/dbraw/zinc/19/94/57/434199457.db2.gz YRXBEFXFWIHJND-IONNQARKSA-N 0 1 307.699 3.459 10 0 DGAEMN Cc1cccnc1CCNCc1cc(O)ccc1Br ZINC000295125219 434213199 /nfs/dbraw/zinc/21/31/99/434213199.db2.gz XVABCIIERMJRDD-UHFFFAOYSA-N 0 1 321.218 3.190 10 0 DGAEMN c1c(CNC2CC2)nnn1Cc1ccc(-c2ccccc2)cc1 ZINC000321356685 434251018 /nfs/dbraw/zinc/25/10/18/434251018.db2.gz DFNKRYLUHDKDCZ-UHFFFAOYSA-N 0 1 304.397 3.245 10 0 DGAEMN C[C@@H]1C[C@@H]1NCc1c(F)ccc(I)c1F ZINC000380172699 434265905 /nfs/dbraw/zinc/26/59/05/434265905.db2.gz DUUYURMYRPIKOX-LDWIPMOCSA-N 0 1 323.124 3.067 10 0 DGAEMN CC(C)(C)[C@H](O)CNCc1c(F)ccc(Br)c1F ZINC000324302298 434270260 /nfs/dbraw/zinc/27/02/60/434270260.db2.gz DDEUIMQEHYTREE-LLVKDONJSA-N 0 1 322.193 3.224 10 0 DGAEMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)NC[C@H]1CC[C@@H](C)C1)C2 ZINC000358037152 434299361 /nfs/dbraw/zinc/29/93/61/434299361.db2.gz YHITZUZPBCTKKA-HZSPNIEDSA-N 0 1 303.450 3.190 10 0 DGAEMN CC[C@H]1[C@H](CO)CCN1Cc1ccsc1Br ZINC000388767948 434334141 /nfs/dbraw/zinc/33/41/41/434334141.db2.gz ZGMVXGCGERBGMQ-QWRGUYRKSA-N 0 1 304.253 3.103 10 0 DGAEMN CC(=O)[C@](C)(O)CN[C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000450658578 434318099 /nfs/dbraw/zinc/31/80/99/434318099.db2.gz DKZAXWNVNOLUJV-FUXBKTLASA-N 0 1 308.180 3.123 10 0 DGAEMN CC[C@@H](NC(=O)NCCN1CC=C(C)CC1)c1ccc(C)cc1 ZINC000358179626 434369560 /nfs/dbraw/zinc/36/95/60/434369560.db2.gz AWHRFCISERLCOR-GOSISDBHSA-N 0 1 315.461 3.397 10 0 DGAEMN Cc1ccc([C@H](C)NC(=O)NCCN2CC=C(C)CC2)cc1F ZINC000358197297 434379640 /nfs/dbraw/zinc/37/96/40/434379640.db2.gz VZXCFSGYDRERGW-HNNXBMFYSA-N 0 1 319.424 3.146 10 0 DGAEMN C[C@H]1CC(C)(C)C[C@@H]1NCc1nn(C)cc1Br ZINC000393323167 434391255 /nfs/dbraw/zinc/39/12/55/434391255.db2.gz QUKDLBCFVZOYRD-ONGXEEELSA-N 0 1 300.244 3.097 10 0 DGAEMN Cc1cccc(-c2nc([C@H]3CN4CCC[C@@]4(C)CO3)no2)c1F ZINC000329635001 434447819 /nfs/dbraw/zinc/44/78/19/434447819.db2.gz XTDXERXAFFHYCL-DYVFJYSZSA-N 0 1 317.364 3.110 10 0 DGAEMN c1cc(-c2n[nH]cc2CN2CCC[C@H]3COCC[C@H]32)cs1 ZINC000438105255 434410318 /nfs/dbraw/zinc/41/03/18/434410318.db2.gz ZQHYCXHDRDNLFP-SWLSCSKDSA-N 0 1 303.431 3.139 10 0 DGAEMN Cc1scc(CNCc2ccc(S(C)(=O)=O)cc2)c1C ZINC000399831415 434482176 /nfs/dbraw/zinc/48/21/76/434482176.db2.gz YUJUWQXVAUAXCK-UHFFFAOYSA-N 0 1 309.456 3.058 10 0 DGAEMN CC1(C)CCCC[C@H]1CC(=O)N1CCC[C@@H](c2nc[nH]n2)C1 ZINC000366701807 434489825 /nfs/dbraw/zinc/48/98/25/434489825.db2.gz LSHBNEMGFQCDBY-KGLIPLIRSA-N 0 1 304.438 3.117 10 0 DGAEMN Cc1cccc2nc(CNC(=O)N3CCC[C@@H](C)[C@@H]3C)[nH]c21 ZINC000408042798 434537432 /nfs/dbraw/zinc/53/74/32/434537432.db2.gz SXZYISAIFDPRDS-YPMHNXCESA-N 0 1 300.406 3.201 10 0 DGAEMN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)NC1(c3ccccc3)CC1)C2 ZINC000527242514 295086604 /nfs/dbraw/zinc/08/66/04/295086604.db2.gz DCBARRGNCUPVFM-CQSZACIVSA-N 0 1 323.440 3.444 10 0 DGAEMN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)NCC1C(C)(C)C1(C)C)C2 ZINC000527278454 295088425 /nfs/dbraw/zinc/08/84/25/295088425.db2.gz GJINJKHMPZPIIF-LBPRGKRZSA-N 0 1 317.477 3.436 10 0 DGAEMN CC1(C)COC[C@@H]1NCc1ccc(Br)c(F)c1F ZINC000527715597 295120030 /nfs/dbraw/zinc/12/00/30/295120030.db2.gz GRLYVMDEQWHJLX-JTQLQIEISA-N 0 1 320.177 3.242 10 0 DGAEMN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCc1cc(O)ccc1Br ZINC000527807349 295133755 /nfs/dbraw/zinc/13/37/55/295133755.db2.gz ZIKKPMGYLRKQEI-RZGXBDKHSA-N 0 1 314.223 3.056 10 0 DGAEMN Cc1noc([C@H]2C[C@H](O)CN2CC2CCC(C(C)(C)C)CC2)n1 ZINC000408388327 434568863 /nfs/dbraw/zinc/56/88/63/434568863.db2.gz BZUYIXDTCYKPGS-SSHXOBKSSA-N 0 1 321.465 3.338 10 0 DGAEMN c1nc2ccccn2c1C[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000360665171 434662621 /nfs/dbraw/zinc/66/26/21/434662621.db2.gz UONLPONWNOIGMQ-FQEVSTJZSA-N 0 1 319.408 3.356 10 0 DGAEMN c1nc2ccccn2c1CN1CCC[C@@]2(C1)OCc1ccccc12 ZINC000360665171 434662629 /nfs/dbraw/zinc/66/26/29/434662629.db2.gz UONLPONWNOIGMQ-FQEVSTJZSA-N 0 1 319.408 3.356 10 0 DGAEMN CC(=O)N1CCCCC[C@@H]1C1CCN(Cc2cncs2)CC1 ZINC000371334475 434671913 /nfs/dbraw/zinc/67/19/13/434671913.db2.gz YPKGEHSWMSAFOQ-QGZVFWFLSA-N 0 1 321.490 3.146 10 0 DGAEMN CC(=O)N1CCCCC[C@H]1C1CCN(Cc2cncs2)CC1 ZINC000371334474 434672790 /nfs/dbraw/zinc/67/27/90/434672790.db2.gz YPKGEHSWMSAFOQ-KRWDZBQOSA-N 0 1 321.490 3.146 10 0 DGAEMN c1[nH]c(-c2ccccc2)nc1CN1CCC(OCC2CC2)CC1 ZINC000371337348 434673354 /nfs/dbraw/zinc/67/33/54/434673354.db2.gz UFLHYIYDQGJITH-UHFFFAOYSA-N 0 1 311.429 3.468 10 0 DGAEMN CC[C@@H]1CCCC[C@H]1N(C)C(=O)NCCN1CC=C(C)CC1 ZINC000460214522 434747265 /nfs/dbraw/zinc/74/72/65/434747265.db2.gz LBBOHSOWFXFXPY-IAGOWNOFSA-N 0 1 307.482 3.249 10 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Cc1nc([C@H](NC(=O)C[C@@H](C)CC(C)C)c2ccccc2)n[nH]1 ZINC000103280142 527069336 /nfs/dbraw/zinc/06/93/36/527069336.db2.gz HFGYYJGHRPVREK-SUMWQHHRSA-N 0 1 314.433 3.391 10 0 DGAEMN CC(=O)[C@H](C)CCCCC(=O)Nc1nc2ccc(F)cc2[nH]1 ZINC000428040722 527145617 /nfs/dbraw/zinc/14/56/17/527145617.db2.gz LZMCAESFUVGJIB-SNVBAGLBSA-N 0 1 305.353 3.426 10 0 DGAEMN CC(C)(C)C[C@H]1CCCN1C(=O)c1cc(F)cc2nn[nH]c21 ZINC000328655680 527703831 /nfs/dbraw/zinc/70/38/31/527703831.db2.gz NBBMCCCBDFMMDA-LLVKDONJSA-N 0 1 304.369 3.138 10 0 DGAEMN CC1(C)OCC[C@@H]1NCc1cc(F)ccc1Br ZINC000328460465 527804622 /nfs/dbraw/zinc/80/46/22/527804622.db2.gz UHXAPAYBNRDCRP-LBPRGKRZSA-N 0 1 302.187 3.245 10 0 DGAEMN CCCCNC(=O)C1(NCc2cnn(CCC)c2)CCCCC1 ZINC000154630041 528491591 /nfs/dbraw/zinc/49/15/91/528491591.db2.gz AHXXAQVONSMCMI-UHFFFAOYSA-N 0 1 320.481 3.002 10 0 DGAEMN CC(C)[C@H](C(=O)Nc1cccc(-c2nnc[nH]2)c1)c1cccnc1 ZINC000435455799 528928495 /nfs/dbraw/zinc/92/84/95/528928495.db2.gz YMKJMCTTXIRSDO-INIZCTEOSA-N 0 1 321.384 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621351502 /nfs/dbraw/zinc/35/15/02/621351502.db2.gz SBTFYYXWOKJEJJ-AWEZNQCLSA-N 0 1 317.335 3.396 10 0 DGAEMN COc1ccccc1C(=O)O[C@H]1CCN(Cc2ccccc2)C1 ZINC000117100239 621351596 /nfs/dbraw/zinc/35/15/96/621351596.db2.gz SNRNRXYDMDPICR-INIZCTEOSA-N 0 1 311.381 3.127 10 0 DGAEMN C[C@@H](NC[C@@H]1CCCS1(=O)=O)c1cc(Cl)ccc1Cl ZINC000126745227 624064978 /nfs/dbraw/zinc/06/49/78/624064978.db2.gz VKQCDYZXPHNGHY-KOLCDFICSA-N 0 1 322.257 3.221 10 0 DGAEMN CCn1c2ccccc2nc1NC(=O)c1c(C)n[nH]c1C(C)C ZINC000130289099 625836032 /nfs/dbraw/zinc/83/60/32/625836032.db2.gz PKGRUEQBFCPQCY-UHFFFAOYSA-N 0 1 311.389 3.463 10 0 DGAEMN Cc1cccc2sc(NC(=O)[C@@H]3CCc4[nH]cnc4C3)nc21 ZINC000220544495 627198761 /nfs/dbraw/zinc/19/87/61/627198761.db2.gz YPKYFWCREVLEPB-SNVBAGLBSA-N 0 1 312.398 3.071 10 0 DGAEMN S=C1OCCN1CN(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000101536232 629731335 /nfs/dbraw/zinc/73/13/35/629731335.db2.gz BTCMMVFHVDYNNN-MRXNPFEDSA-N 0 1 302.443 3.103 10 0 DGAEMN CC(C)(C)OC(=O)NC/C=C/CNCc1cc(F)ccc1F ZINC000227752945 660379337 /nfs/dbraw/zinc/37/93/37/660379337.db2.gz MGJMHSRMOWGXHV-SNAWJCMRSA-N 0 1 312.360 3.135 10 0 DGAEMN O[C@@H](CN[C@H]1CCSc2c(Cl)cccc21)C(F)(F)F ZINC000358221673 660479237 /nfs/dbraw/zinc/47/92/37/660479237.db2.gz MRVYZRUNXKWXRB-UWVGGRQHSA-N 0 1 311.756 3.390 10 0 DGAEMN CCC(F)(F)CN[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000700201234 660615834 /nfs/dbraw/zinc/61/58/34/660615834.db2.gz CEXBPHBRMIWXEL-NWDGAFQWSA-N 0 1 306.397 3.315 10 0 DGAEMN C[C@H](NCC12CC(C1)CN2C(=O)OC(C)(C)C)c1nccs1 ZINC000701854682 660690394 /nfs/dbraw/zinc/69/03/94/660690394.db2.gz GIJUYFRJLVRZTF-FZWSLVFFSA-N 0 1 323.462 3.193 10 0 DGAEMN C[C@H](NCC12CC(C1)CN2C(=O)OC(C)(C)C)c1cscn1 ZINC000701855310 660690513 /nfs/dbraw/zinc/69/05/13/660690513.db2.gz JLDWFDCTJLLECR-FZWSLVFFSA-N 0 1 323.462 3.193 10 0 DGAEMN C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)NCc1ccncc1Cl ZINC000704375304 660808435 /nfs/dbraw/zinc/80/84/35/660808435.db2.gz RJVDYFAFJFIROD-WDEREUQCSA-N 0 1 313.829 3.126 10 0 DGAEMN [O-]c1cccc(C[NH2+]CC[C@@H]2CCSC2)c1Br ZINC000704845400 660822655 /nfs/dbraw/zinc/82/26/55/660822655.db2.gz MXRKDNWSLJLCKH-SNVBAGLBSA-N 0 1 316.264 3.388 10 0 DGAEMN NCc1nc2c(s1)CCN([C@H]1CCCc3sccc31)C2 ZINC000710238498 660932680 /nfs/dbraw/zinc/93/26/80/660932680.db2.gz IHVSOMUMPJKCPI-LBPRGKRZSA-N 0 1 305.472 3.099 10 0 DGAEMN CC(C)(C)OC(=O)N1CC[C@]2(NCc3cscn3)CCC[C@H]12 ZINC000711631196 660959843 /nfs/dbraw/zinc/95/98/43/660959843.db2.gz SQNFYHUPLZIQAI-XJKSGUPXSA-N 0 1 323.462 3.165 10 0 DGAEMN O=C([O-])[C@]12CCC[C@H]1[N@@H+](Cc1cccc(Br)c1)CC2 ZINC000711624996 660960009 /nfs/dbraw/zinc/96/00/09/660960009.db2.gz PIDXFGRFLXGLNC-HIFRSBDPSA-N 0 1 324.218 3.278 10 0 DGAEMN O[C@H](CCN1CCS[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000721411407 655582272 /nfs/dbraw/zinc/58/22/72/655582272.db2.gz OVOULXMHGZYPGB-CHWSQXEVSA-N 0 1 305.365 3.090 10 0 DGAEMN Nc1ncc(CN2CC[C@@H](C(F)(F)F)C3(CCC3)C2)s1 ZINC000261722949 655666089 /nfs/dbraw/zinc/66/60/89/655666089.db2.gz XABMXOWAKXZWMM-SNVBAGLBSA-N 0 1 305.369 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302.443 3.423 10 0 DGAEMN O[C@@]12CCCC[C@@H]1CN(Cc1nc3ccccc3s1)CC2 ZINC000135065531 432096703 /nfs/dbraw/zinc/09/67/03/432096703.db2.gz XERVCVPVQGQZRK-CXAGYDPISA-N 0 1 302.443 3.423 10 0 DGAEMN COc1cc(CNCc2cn(C)nc2C(F)(F)F)ccc1C ZINC000194392457 201217539 /nfs/dbraw/zinc/21/75/39/201217539.db2.gz GKLMAZRKQBRMOG-UHFFFAOYSA-N 0 1 313.323 3.046 10 0 DGAEMN COc1cc(NC(=O)N2CCN3CCCC[C@@H]3C2)ccc1Cl ZINC000194428072 201223661 /nfs/dbraw/zinc/22/36/61/201223661.db2.gz PRKVZKSVCMAPEY-CYBMUJFWSA-N 0 1 323.824 3.051 10 0 DGAEMN CC(C)CNC(=O)[C@H](C)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000066391672 283690910 /nfs/dbraw/zinc/69/09/10/283690910.db2.gz CVMPJHSZWDDFBP-QWRGUYRKSA-N 0 1 300.805 3.290 10 0 DGAEMN CCCCOC[C@H](O)CN[C@H](C)c1c(F)cccc1Cl ZINC000195214665 201360052 /nfs/dbraw/zinc/36/00/52/201360052.db2.gz YGFORQGLDUJMDI-VXGBXAGGSA-N 0 1 303.805 3.307 10 0 DGAEMN Cc1ccc(-c2ccc(C(=O)NC[C@@H]3CCCN3C)s2)o1 ZINC000180780076 432100747 /nfs/dbraw/zinc/10/07/47/432100747.db2.gz RRYPKLFNGWKAEV-LBPRGKRZSA-N 0 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10 0 DGAEMN COc1cc(CN(C)[C@H](C)c2ccccn2)cc2c1OCCO2 ZINC000183676936 323345469 /nfs/dbraw/zinc/34/54/69/323345469.db2.gz FZRYPDVLQGRDTP-CYBMUJFWSA-N 0 1 314.385 3.054 10 0 DGAEMN CC(=O)c1cccc(-c2nc(-c3ccn4cncc4c3)no2)c1 ZINC000351054995 323536264 /nfs/dbraw/zinc/53/62/64/323536264.db2.gz YNOWVSMCXRTWNV-UHFFFAOYSA-N 0 1 304.309 3.254 10 0 DGAEMN CC[C@@H](C(=O)OC(C)(C)C)N1CCC(C2CCOCC2)CC1 ZINC000584504994 337351463 /nfs/dbraw/zinc/35/14/63/337351463.db2.gz XMCCFWUABIDZTI-INIZCTEOSA-N 0 1 311.466 3.245 10 0 DGAEMN CN1c2cc(-c3cc(-c4ccncc4)n[nH]3)ccc2C(C)(C)C1=O ZINC000584625437 337375393 /nfs/dbraw/zinc/37/53/93/337375393.db2.gz CQYVVTXZWPCYKO-UHFFFAOYSA-N 0 1 318.380 3.393 10 0 DGAEMN C=CC(=O)NCCNc1cc(Oc2cccc(Cl)c2)ccn1 ZINC000584627389 337376154 /nfs/dbraw/zinc/37/61/54/337376154.db2.gz KVBWBDUCFHCTHQ-UHFFFAOYSA-N 0 1 317.776 3.241 10 0 DGAEMN C[C@@H](CNCc1nn(C)cc1Br)C1CCCCC1 ZINC000393338994 1176602952 /nfs/dbraw/zinc/60/29/52/1176602952.db2.gz ROBUIPJQDYHPOP-NSHDSACASA-N 0 1 314.271 3.489 10 0 DGAEMN C[C@@H]1C[C@H](NCc2c(F)cccc2Br)[C@@H](C)O1 ZINC000394918960 1176771596 /nfs/dbraw/zinc/77/15/96/1176771596.db2.gz RKPHQBGPCNMJAK-KKFJDGPESA-N 0 1 302.187 3.244 10 0 DGAEMN CC(C)COC1CCN(CC(=O)N(C)[C@@H](C)CC(C)C)CC1 ZINC000122824718 500609108 /nfs/dbraw/zinc/60/91/08/500609108.db2.gz OSJODJWSEPYQLU-INIZCTEOSA-N 0 1 312.498 3.016 10 0 DGAEMN Cc1cc2[nH]ncc2cc1NC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000328772874 534128739 /nfs/dbraw/zinc/12/87/39/534128739.db2.gz HGFQQEZVWUZGAE-LBPRGKRZSA-N 0 1 300.362 3.099 10 0 DGAEMN Cc1nc([C@@H]2CCCCN2Cc2nc(C3CC3)cs2)n[nH]1 ZINC000328677708 534556932 /nfs/dbraw/zinc/55/69/32/534556932.db2.gz MDYWWLHAUFTRGI-ZDUSSCGKSA-N 0 1 303.435 3.174 10 0 DGAEMN COc1cccc2sc(NC(=O)c3c[nH]nc3C(C)C)nc21 ZINC000188923364 524264169 /nfs/dbraw/zinc/26/41/69/524264169.db2.gz YUMWAINIHGTAFF-UHFFFAOYSA-N 0 1 316.386 3.404 10 0 DGAEMN CC(=O)[C@@H](C)CCCCC(=O)Nc1cccc(-c2cn[nH]n2)c1 ZINC000442672184 527125080 /nfs/dbraw/zinc/12/50/80/527125080.db2.gz PLCVGJATABNRAM-LBPRGKRZSA-N 0 1 314.389 3.196 10 0 DGAEMN CC(=O)c1ccc(CN2CC[C@@H](C(=O)OC(C)(C)C)C2)cc1 ZINC000294912923 527277521 /nfs/dbraw/zinc/27/75/21/527277521.db2.gz HXOKLSZHWSYYDO-MRXNPFEDSA-N 0 1 303.402 3.053 10 0 DGAEMN OCCC[C@H]1CCCN1Cc1cccc(F)c1Br ZINC000157565793 527546527 /nfs/dbraw/zinc/54/65/27/527546527.db2.gz VWLMQCUYLHGYLB-GFCCVEGCSA-N 0 1 316.214 3.325 10 0 DGAEMN CCN(Cc1c[nH]c2ccccc12)Cc1cnc2cnccn12 ZINC000443851677 528763689 /nfs/dbraw/zinc/76/36/89/528763689.db2.gz DWSCRWWGIKJOGD-UHFFFAOYSA-N 0 1 305.385 3.233 10 0 DGAEMN CCCCc1noc([C@H](C)N[C@@H](C(C)C)[C@@H](CO)C(C)C)n1 ZINC000451616050 535127569 /nfs/dbraw/zinc/12/75/69/535127569.db2.gz QUJJJNHBWSYOEG-DZKIICNBSA-N 0 1 311.470 3.352 10 0 DGAEMN CCCCC[C@H]1CCCN1C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000487544227 535137106 /nfs/dbraw/zinc/13/71/06/535137106.db2.gz UYLMMCCSUOMGHY-CJNGLKHVSA-N 0 1 306.454 3.403 10 0 DGAEMN CCn1c2ccccc2nc1[C@@H](C)NCc1ccc(CO)cc1 ZINC000119296347 545879041 /nfs/dbraw/zinc/87/90/41/545879041.db2.gz WWEFNNOZIFEGGT-CQSZACIVSA-N 0 1 309.413 3.399 10 0 DGAEMN Cc1nc2c([nH]1)CC[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)C2 ZINC000163964362 546086237 /nfs/dbraw/zinc/08/62/37/546086237.db2.gz OANDKKWENLMSGQ-SNVBAGLBSA-N 0 1 323.318 3.481 10 0 DGAEMN O=C(Nc1cnc(C2CC2)nc1)c1cn[nH]c1-c1ccc(F)cc1 ZINC000173054321 546103711 /nfs/dbraw/zinc/10/37/11/546103711.db2.gz DAYZRZMDPDMYMG-UHFFFAOYSA-N 0 1 323.331 3.136 10 0 DGAEMN Cc1csc(N2CCN(Cc3cccc4cnccc43)CC2)n1 ZINC000183056213 546171004 /nfs/dbraw/zinc/17/10/04/546171004.db2.gz WEJXZAOZFBLPFQ-UHFFFAOYSA-N 0 1 324.453 3.322 10 0 DGAEMN C[C@H]1COCC[C@@H]1C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000192474699 546232008 /nfs/dbraw/zinc/23/20/08/546232008.db2.gz LEGQXPVGQAFTKQ-FZMZJTMJSA-N 0 1 313.401 3.442 10 0 DGAEMN CS(=O)(=O)c1cccc(Cl)c1CNCCC1=CCCC1 ZINC000230699787 546275161 /nfs/dbraw/zinc/27/51/61/546275161.db2.gz LFEBCHMPHBVJFD-UHFFFAOYSA-N 0 1 313.850 3.334 10 0 DGAEMN C[C@]12CCCN1C[C@@H](c1noc(-c3ccc4cc[nH]c4c3)n1)OC2 ZINC000329588510 546487552 /nfs/dbraw/zinc/48/75/52/546487552.db2.gz NAEMKOHOXUJPRA-MAUKXSAKSA-N 0 1 324.384 3.144 10 0 DGAEMN Cc1nc([C@@H]2CCCN2Cc2n[nH]c(C(C)(C)C)n2)cs1 ZINC000330326370 546498096 /nfs/dbraw/zinc/49/80/96/546498096.db2.gz KBCBQCWNKWHMEB-LBPRGKRZSA-N 0 1 305.451 3.204 10 0 DGAEMN Brc1ccc2c(c1)[C@H](NC1CSC1)CS2 ZINC000379777332 546736343 /nfs/dbraw/zinc/73/63/43/546736343.db2.gz DOPVYVFTGPYBPP-SNVBAGLBSA-N 0 1 302.262 3.301 10 0 DGAEMN Cc1cncc(CCNCc2cc(Cl)sc2Cl)n1 ZINC000402769254 546765695 /nfs/dbraw/zinc/76/56/95/546765695.db2.gz SGJKAMOTTOGMRL-UHFFFAOYSA-N 0 1 302.230 3.486 10 0 DGAEMN CC(C)(C)OC(=O)NCCN(Cc1ccc(F)cc1)C1CC1 ZINC000733897058 574643575 /nfs/dbraw/zinc/64/35/75/574643575.db2.gz CFEMPZWPEFIGFV-UHFFFAOYSA-N 0 1 308.397 3.315 10 0 DGAEMN CCCN1CCC[C@@H]1C(=O)N[C@H](C)c1nc2ccccc2s1 ZINC000734139792 574652974 /nfs/dbraw/zinc/65/29/74/574652974.db2.gz ZTNRVJHVPHHVBO-TZMCWYRMSA-N 0 1 317.458 3.348 10 0 DGAEMN Cc1cnc(N2CCC(c3ccn[nH]3)CC2)c(Br)c1 ZINC000191051414 574853107 /nfs/dbraw/zinc/85/31/07/574853107.db2.gz QXTBFCQDVNLCIM-UHFFFAOYSA-N 0 1 321.222 3.260 10 0 DGAEMN CC(C)[C@]1(C)CC(=O)N(CN2CCC3(C2)CCCCC3)C1=O ZINC000742166950 574983218 /nfs/dbraw/zinc/98/32/18/574983218.db2.gz RLZKGEVTVWVKPR-KRWDZBQOSA-N 0 1 306.450 3.021 10 0 DGAEMN C[C@H](Cn1cccn1)NCc1cc2ccccc2nc1Cl ZINC000729931258 575266766 /nfs/dbraw/zinc/26/67/66/575266766.db2.gz NWIVEDYGGHELOU-GFCCVEGCSA-N 0 1 300.793 3.263 10 0 DGAEMN Cc1cn2c(n1)NCC[C@@H]2[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000236045355 575996432 /nfs/dbraw/zinc/99/64/32/575996432.db2.gz AXGKVERTLDCJIB-UONOGXRCSA-N 0 1 320.437 3.195 10 0 DGAEMN C/C(=C/C(=O)Nc1cnn(-c2ccncc2)c1)c1ccccc1 ZINC000727095273 576106808 /nfs/dbraw/zinc/10/68/08/576106808.db2.gz DFDMUFSGHVBDMA-KAMYIIQDSA-N 0 1 304.353 3.309 10 0 DGAEMN O=C(O[C@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000117102144 621351531 /nfs/dbraw/zinc/35/15/31/621351531.db2.gz JXSURSXXYMCEDK-HNNXBMFYSA-N 0 1 317.335 3.396 10 0 DGAEMN O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1ccncc1 ZINC000119880646 621746466 /nfs/dbraw/zinc/74/64/66/621746466.db2.gz XBDMMYKGYLBOHZ-UHFFFAOYSA-N 0 1 318.789 3.342 10 0 DGAEMN CC(C)(C)OC(=O)CCc1nc(C2(N)CCCCCCC2)no1 ZINC000757182026 626753386 /nfs/dbraw/zinc/75/33/86/626753386.db2.gz DWNPBRNMCDLDOU-UHFFFAOYSA-N 0 1 323.437 3.242 10 0 DGAEMN O=C(Nc1ccc2[nH]nnc2c1)c1ccc2nc(Cl)ccc2c1 ZINC000133779934 626838232 /nfs/dbraw/zinc/83/82/32/626838232.db2.gz JKCBKWLHUGYADL-UHFFFAOYSA-N 0 1 323.743 3.412 10 0 DGAEMN CCCc1ccc(NC(=O)N2CCN3CCCC[C@@H]3C2)cc1 ZINC000104981746 630600886 /nfs/dbraw/zinc/60/08/86/630600886.db2.gz RUQVVWBMZAETAZ-QGZVFWFLSA-N 0 1 301.434 3.341 10 0 DGAEMN COc1ccc(CNCc2ccc(O)c(Cl)c2)c(OC)c1 ZINC000109553931 632227148 /nfs/dbraw/zinc/22/71/48/632227148.db2.gz CLCSKFLSWFAQAC-UHFFFAOYSA-N 0 1 307.777 3.353 10 0 DGAEMN CC(C)C(=O)OC[C@@H]1CCCN(Cc2cc(F)ccc2F)C1 ZINC000110120715 632468797 /nfs/dbraw/zinc/46/87/97/632468797.db2.gz GBMFPPDIPUGPDY-CYBMUJFWSA-N 0 1 311.372 3.376 10 0 DGAEMN CCc1ccc([C@@H](COC)NC[C@@H](O)c2cc(C)cc(C)c2)o1 ZINC000184817223 660188714 /nfs/dbraw/zinc/18/87/14/660188714.db2.gz DENCOOLLLOSOKK-QZTJIDSGSA-N 0 1 317.429 3.470 10 0 DGAEMN CCO[C@@H]1CCC[C@H](NCc2ncc(Br)s2)C1 ZINC000721277658 659915797 /nfs/dbraw/zinc/91/57/97/659915797.db2.gz YQWRZGBPLQGJAV-VHSXEESVSA-N 0 1 319.268 3.343 10 0 DGAEMN CCO[C@H]1CCC[C@H](NCc2ncc(Br)s2)C1 ZINC000721277657 659915864 /nfs/dbraw/zinc/91/58/64/659915864.db2.gz YQWRZGBPLQGJAV-UWVGGRQHSA-N 0 1 319.268 3.343 10 0 DGAEMN c1cn(-c2ccc(CN3Cc4ccccc4C4(CC4)C3)cn2)cn1 ZINC000186196033 660338861 /nfs/dbraw/zinc/33/88/61/660338861.db2.gz UAJSDXHRJOTKGD-UHFFFAOYSA-N 0 1 316.408 3.315 10 0 DGAEMN Cc1nc(CN[C@@](C)(CNC(=O)OC(C)(C)C)C(C)C)[nH]c1C ZINC000708960992 660923760 /nfs/dbraw/zinc/92/37/60/660923760.db2.gz KDMCQCVSOZSBJU-KRWDZBQOSA-N 0 1 324.469 3.056 10 0 DGAEMN CCc1cnc(CN[C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)o1 ZINC000234252209 655656378 /nfs/dbraw/zinc/65/63/78/655656378.db2.gz OYHIMNPPBVSKCP-GXTWGEPZSA-N 0 1 323.437 3.020 10 0 DGAEMN C[C@@H]1CCC[C@@H](N(C)Cc2cn(C)nc2Br)C1 ZINC000713862016 661194987 /nfs/dbraw/zinc/19/49/87/661194987.db2.gz VKTHALVPFMFZDG-ZYHUDNBSSA-N 0 1 300.244 3.193 10 0 DGAEMN CCC[C@H]1CCCCN1Cc1cn(C)nc1Br ZINC000713862759 661195063 /nfs/dbraw/zinc/19/50/63/661195063.db2.gz ZNUBCLZVLISHEP-LBPRGKRZSA-N 0 1 300.244 3.337 10 0 DGAEMN C[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1)c1ccc(Cl)s1 ZINC000037020850 661213747 /nfs/dbraw/zinc/21/37/47/661213747.db2.gz SQEKCOQFLPHPHT-MFKMUULPSA-N 0 1 320.845 3.293 10 0 DGAEMN c1cn(-c2cc(CNCc3cc4ccccc4o3)ccn2)cn1 ZINC000236575541 655961886 /nfs/dbraw/zinc/96/18/86/655961886.db2.gz RGQOUDZIVXYJSI-UHFFFAOYSA-N 0 1 304.353 3.303 10 0 DGAEMN O[C@@H](C[C@H]1COCC[N@H+]1CC1CCCCCC1)c1ccco1 ZINC000180721674 655968384 /nfs/dbraw/zinc/96/83/84/655968384.db2.gz OCTQMPRSRVUAJU-IRXDYDNUSA-N 0 1 307.434 3.374 10 0 DGAEMN O[C@@H](C[C@H]1COCCN1CC1CCCCCC1)c1ccco1 ZINC000180721674 655968385 /nfs/dbraw/zinc/96/83/85/655968385.db2.gz OCTQMPRSRVUAJU-IRXDYDNUSA-N 0 1 307.434 3.374 10 0 DGAEMN Cc1nc(NCCC[N@H+](C)Cc2ccccc2)sc1C(=O)[O-] ZINC000309571319 656027513 /nfs/dbraw/zinc/02/75/13/656027513.db2.gz MCLYNFYSTGMIBH-UHFFFAOYSA-N 0 1 319.430 3.084 10 0 DGAEMN C[C@H](NCc1ccc(F)cc1F)[C@H](C)NC(=O)OC(C)(C)C ZINC000309690160 656040610 /nfs/dbraw/zinc/04/06/10/656040610.db2.gz CRXHQUZBJDGDHI-QWRGUYRKSA-N 0 1 314.376 3.356 10 0 DGAEMN CC(C)(C)OC(=O)NCCN1Cc2ccccc2C2(CC2)C1 ZINC000186196308 656130492 /nfs/dbraw/zinc/13/04/92/656130492.db2.gz WUNJFSAFEJAMGI-UHFFFAOYSA-N 0 1 302.418 3.059 10 0 DGAEMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000191387818 656168641 /nfs/dbraw/zinc/16/86/41/656168641.db2.gz ZKONCPKUBZHJGN-BDJLRTHQSA-N 0 1 313.800 3.312 10 0 DGAEMN CC(C)c1ccc(NC(=O)CN(C[C@@H]2CCOC2)C2CC2)cc1 ZINC000123769226 656183338 /nfs/dbraw/zinc/18/33/38/656183338.db2.gz DLDZSZVEXJSCFZ-HNNXBMFYSA-N 0 1 316.445 3.249 10 0 DGAEMN CN(Cc1ccsc1)C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724096727 656509507 /nfs/dbraw/zinc/50/95/07/656509507.db2.gz 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